#DEFINITION	Reference Metabolome for Lycium chinense
#IDENTTFIER	RefMeta-Lycium chinense.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Lycium chinense
#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 Lycium chinense 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	999.5171
Annotation	Unknow
Peak:m/z	Relative Intensity
70.47574	2.4
71.01379	13.7
73.02962	2.6
83.01389	1.2
85.02946	7.2
87.00905	1.4
89.02444	4.8
93.03429	1.1
95.01393	1.2
98.20292	1.6
99.00882	2.0
101.02444	10.4
111.00898	1.0
113.02446	5.2
116.92855	1.7
119.03487	1.7
123.87455	1.1
125.09781	2.0
151.11288	2.1
153.12875	1.3
161.09752	2.5
179.10779	5.0
197.11830	43.0
198.12166	1.3
241.10707	3.1
463.51736	1.2
637.44824	1.2
675.40491	2.0
999.51709	100.0
1000.52307	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	998.569
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02959	100.0
87.88955	47.2
88.89366	38.0
90.41078	33.3
91.98401	33.9
103.00351	45.4
109.25526	41.1
122.13100	36.2
124.50903	34.3
129.01961	57.5
130.21794	35.0
185.54942	34.7
229.08070	47.3
426.80090	43.5
1026.65259	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.5689
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39140	100.0
69.39565	65.0
82.76050	21.7
132.34033	21.6
158.82436	23.1
262.22192	21.8
273.21359	18.2
421.88293	29.7
432.96866	24.0
482.76517	23.4
508.28751	24.2
514.99634	22.4
608.99243	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	995.6101
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95903	6.7
83.05005	0.1
96.96015	0.2
103.78965	0.1
110.71680	0.1
112.29442	0.1
119.73888	0.1
121.08926	0.1
122.00120	0.2
140.01192	2.2
152.86734	0.1
152.99582	0.8
158.94809	0.1
196.03758	1.2
196.85080	0.1
214.04865	2.8
219.42642	0.1
261.22174	0.5
265.14719	0.2
279.23273	100.0
280.23611	5.9
476.27802	46.0
477.28143	3.5
549.97626	0.1
940.35956	0.1
954.15320	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.6107
Annotation	Unknow
Peak:m/z	Relative Intensity
69.95922	0.6
76.56165	0.1
78.95905	24.3
96.96004	0.2
96.96968	0.3
98.20018	0.3
98.96065	0.2
107.08792	0.2
117.05617	0.1
117.06592	0.1
122.00127	0.9
122.98497	0.2
134.98563	0.2
135.90282	0.2
137.42888	0.2
140.01192	6.3
151.78664	0.2
152.99594	2.3
156.60077	0.2
166.02716	0.4
171.00549	0.3
196.03789	9.7
214.04860	2.4
261.22232	0.5
265.14685	0.2
279.23273	100.0
280.23636	5.7
280.26730	0.3
476.27805	92.1
477.28146	7.4
790.27252	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5891
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03454	0.8
69.29597	1.4
69.30028	2.5
71.01379	10.9
72.99300	1.1
73.02941	1.5
75.19011	0.5
81.03468	0.7
83.01389	1.3
85.02946	2.2
87.00874	1.9
89.02443	10.6
95.01400	0.9
97.02953	1.8
97.06586	0.4
99.00893	0.8
99.08153	1.5
101.02442	8.9
111.08190	0.7
113.02449	4.6
113.09714	1.7
116.92886	0.7
119.03480	2.7
125.02429	3.7
127.07619	0.5
127.11254	1.3
129.09209	3.5
137.09787	0.4
139.11311	2.3
143.03494	1.3
151.11308	1.2
155.10770	1.3
161.04553	1.8
163.11235	0.7
167.10748	0.5
169.12312	1.8
171.10266	9.7
179.05630	1.5
181.12352	3.4
183.10289	0.5
183.13876	1.9
185.11850	1.6
193.12346	1.2
197.11829	5.6
199.13402	3.3
201.11337	1.8
211.13377	10.6
221.06569	0.9
235.08185	5.3
253.09241	1.2
275.20120	1.8
277.21710	25.2
278.22000	1.8
287.07791	1.4
293.21240	9.1
294.21512	0.7
305.08914	1.6
309.20773	0.6
311.22266	100.0
312.22583	7.6
361.92667	0.5
370.50516	0.5
397.13477	42.7
398.14072	2.3
415.14566	14.0
416.14789	0.8
416.80316	0.5
456.57489	0.6
458.48697	0.5
675.35748	1.5
818.22626	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.5636
Annotation	Unknow
Peak:m/z	Relative Intensity
69.94778	7.9
71.01385	31.9
73.02941	5.5
83.01393	2.3
84.95131	2.8
85.02959	14.0
87.00893	3.2
89.02447	13.0
95.01379	4.3
97.02934	2.1
101.02444	16.8
108.42331	1.4
112.30631	1.6
113.02444	26.3
119.03500	4.2
124.01664	3.6
125.02451	5.7
126.44663	1.4
129.01906	1.5
143.03508	5.0
154.81544	1.5
161.04539	5.1
248.87355	1.4
275.20221	1.6
277.21722	100.0
278.22043	4.8
291.23093	2.5
293.21231	9.3
382.11478	2.0
465.28534	7.7
483.29413	3.1
526.89130	1.7
573.30792	1.8
591.31586	2.9
609.32745	30.5
610.33234	3.5
611.34332	6.2
627.33801	67.6
628.34033	8.8
629.34967	1.9
645.34808	17.9
646.34796	2.2
669.35016	10.3
687.36163	10.1
758.16595	1.8
769.17194	1.8
814.07129	1.9
887.55035	4.5
905.56250	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	991.579
Annotation	Unknow
Peak:m/z	Relative Intensity
71.52505	0.1
78.95901	7.9
96.95988	0.2
116.92852	0.2
122.00089	0.3
127.07661	0.2
140.01190	2.4
141.64418	0.1
152.99582	1.1
171.00565	0.2
196.03763	1.3
205.19347	0.2
214.04852	3.6
214.06784	0.3
233.22685	0.7
246.90778	0.1
259.20654	0.6
275.20178	0.5
277.21701	100.0
278.22043	5.2
394.88806	0.2
434.98456	0.2
474.26236	54.5
475.26575	4.0
475.32852	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5531
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	2.4
71.01380	11.9
71.05020	3.7
71.52319	1.2
71.52679	1.4
72.99306	1.5
73.02940	3.6
80.02666	2.7
81.03473	6.2
83.01408	1.3
83.05034	6.7
84.02213	2.4
85.02951	6.4
87.00843	1.2
87.04496	2.1
89.02451	9.6
93.03445	1.3
95.05026	8.0
97.02938	1.1
97.06574	3.4
98.03719	3.7
101.02441	8.1
107.04999	1.5
108.02222	1.5
109.06590	20.8
110.03713	1.1
111.04504	1.9
113.02448	4.4
113.06081	4.8
119.03513	3.9
121.03053	1.1
121.06628	2.2
123.08150	7.4
125.06081	2.6
125.09714	20.0
127.07655	8.3
127.11278	8.6
135.08131	3.6
137.06071	2.0
137.09711	2.7
137.70277	1.1
138.06381	1.2
141.09180	3.1
149.09702	1.2
151.07628	3.3
151.11343	2.9
153.09171	2.7
155.10748	4.0
161.04584	1.7
163.11270	3.7
165.09181	4.1
165.12807	1.9
167.10764	1.1
169.08723	1.2
171.10251	13.4
179.05644	1.8
183.10220	1.9
185.11844	4.4
195.10190	4.7
197.11830	4.3
199.09750	5.2
199.13351	2.1
201.11320	69.9
202.11662	1.5
209.11821	53.3
210.12167	2.1
213.11313	52.9
214.11722	1.8
221.11844	1.3
227.12923	12.1
233.11761	3.4
239.12759	1.9
243.17531	1.6
249.14983	2.0
251.12877	22.6
252.13222	1.6
253.14511	1.5
265.14377	4.3
287.16541	21.6
288.16806	1.4
289.18094	1.4
305.17645	17.7
306.17819	1.2
323.18610	30.8
324.19171	2.3
341.19681	100.0
342.19833	6.7
375.54178	1.2
483.29553	4.1
645.34900	71.6
646.35266	9.0
661.34802	2.5
941.73425	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	985.5497
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03449	1.1
71.01382	12.8
72.99280	0.9
73.02946	3.7
73.60031	0.6
76.49484	0.7
83.01375	2.8
85.02960	6.8
87.00883	0.8
89.02438	3.6
93.03492	0.8
95.01388	1.9
96.96021	1.4
97.02948	0.7
99.00871	1.7
101.02448	7.0
113.02457	5.0
116.92812	0.8
119.03511	1.5
124.29065	0.6
129.01932	0.9
171.10295	0.7
173.04543	1.2
197.11905	0.9
209.11858	2.5
211.20793	0.6
233.15408	0.9
293.17511	0.8
300.18951	0.6
301.21808	1.5
303.23227	5.4
304.23767	0.7
313.17868	4.8
319.22992	0.9
325.17679	0.8
341.20810	6.9
383.21939	1.3
481.28049	100.0
482.28354	10.7
503.26028	9.8
504.26053	0.6
516.38489	0.7
532.09009	0.7
541.41479	0.7
574.61322	0.7
628.20264	0.8
629.35577	1.5
757.38947	1.0
812.48547	0.7
871.43683	1.9
985.52625	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	984.5535
Annotation	Unknow
Peak:m/z	Relative Intensity
69.18712	100.0
78.91897	16.9
88.98814	12.5
98.20665	22.6
390.09055	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	984.5537
Annotation	Unknow
Peak:m/z	Relative Intensity
71.82507	27.0
73.28998	26.9
87.65388	25.9
96.96012	45.6
98.19912	100.0
148.78693	23.8
309.20709	65.6
397.13544	30.9
415.14594	31.2
491.85861	31.3
572.67560	29.5
763.79828	30.3
915.26379	30.8
1019.20612	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5539
Annotation	Unknow
Peak:m/z	Relative Intensity
68.45501	9.1
69.21207	11.6
69.21541	100.0
73.38642	9.6
78.91881	34.4
82.50318	10.3
90.41319	9.6
98.19849	18.9
123.58558	10.9
225.00766	10.9
242.58739	9.7
277.21695	15.2
287.22479	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	985.5497
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03449	1.1
71.01382	12.8
72.99280	0.9
73.02946	3.7
73.60031	0.6
76.49484	0.7
83.01375	2.8
85.02960	6.8
87.00883	0.8
89.02438	3.6
93.03492	0.8
95.01388	1.9
96.96021	1.4
97.02948	0.7
99.00871	1.7
101.02448	7.0
113.02457	5.0
116.92812	0.8
119.03511	1.5
124.29065	0.6
129.01932	0.9
171.10295	0.7
173.04543	1.2
197.11905	0.9
209.11858	2.5
211.20793	0.6
233.15408	0.9
293.17511	0.8
300.18951	0.6
301.21808	1.5
303.23227	5.4
304.23767	0.7
313.17868	4.8
319.22992	0.9
325.17679	0.8
341.20810	6.9
383.21939	1.3
481.28049	100.0
482.28354	10.7
503.26028	9.8
504.26053	0.6
516.38489	0.7
532.09009	0.7
541.41479	0.7
574.61322	0.7
628.20264	0.8
629.35577	1.5
757.38947	1.0
812.48547	0.7
871.43683	1.9
985.52625	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	984.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01390	14.6
80.32948	5.8
89.02428	14.3
90.64001	5.5
97.92039	5.3
101.02401	7.7
113.02429	8.8
146.47023	5.7
171.10254	9.7
289.65488	6.2
292.01578	6.4
329.23236	11.4
541.89514	6.4
653.40991	14.1
775.41138	11.4
921.46997	100.0
922.47028	18.3
978.97089	6.4
984.46893	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	984.5546
Annotation	Unknow
Peak:m/z	Relative Intensity
68.81145	50.0
69.87079	57.8
71.53938	100.0
98.22513	50.9
105.01944	68.1
107.06240	58.2
143.24052	58.5
195.76804	55.7
249.18698	57.1
343.15237	52.7
469.80554	60.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5535
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01333	44.6
71.54375	42.6
78.91868	100.0
113.02420	48.0
136.12297	37.1
214.42479	35.4
230.04181	45.6
281.85519	42.4
386.97510	44.6
982.45471	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5538
Annotation	Unknow
Peak:m/z	Relative Intensity
70.95223	82.0
70.95572	100.0
75.78047	45.4
76.88852	46.5
78.91887	48.5
88.98813	65.8
127.87321	42.1
129.50684	50.9
165.94949	45.9
183.13353	60.4
219.67082	49.8
270.38834	47.9
274.47290	49.4
315.10025	49.1
567.59497	48.4
751.81555	57.9
880.30780	51.7
967.13562	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	982.5381
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	60.4
78.95898	57.4
127.41103	31.7
152.99461	37.3
185.11826	47.0
188.93828	32.7
255.23215	69.4
274.24988	34.5
277.21707	100.0
397.13364	43.2
664.52869	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	982.5382
Annotation	Unknow
Peak:m/z	Relative Intensity
68.43089	53.8
71.01406	69.4
71.54874	54.4
78.95857	63.1
88.98811	55.8
89.02465	67.8
101.02472	81.1
109.76195	57.0
113.99297	52.4
116.92930	50.8
119.72993	61.4
127.77201	52.1
134.04745	68.2
180.87737	51.9
185.90897	55.3
190.16359	52.5
196.66481	49.7
203.90663	52.8
211.98108	52.4
212.60240	53.7
307.98264	54.9
325.20172	66.4
337.13361	56.5
397.13690	100.0
637.04169	54.9
938.95435	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	30.2
89.02405	15.6
98.20644	52.4
101.02454	14.6
113.64610	12.7
120.38135	12.1
291.96835	12.4
445.90109	15.5
921.46783	100.0
924.47382	40.3
984.46570	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99574	1.9
69.46359	1.0
71.01395	0.4
71.50510	0.1
73.02945	13.5
77.58894	0.1
84.63826	0.1
99.00878	2.0
99.92584	16.7
100.92621	0.7
105.06547	0.1
112.98575	1.3
113.78767	0.1
114.93417	0.6
115.00411	0.2
115.99902	0.2
116.92862	100.0
117.01939	19.1
117.92108	0.3
117.92870	3.3
125.06282	0.1
131.91524	0.2
149.00185	0.1
153.90082	0.1
157.59111	0.1
167.81786	0.1
195.52869	0.1
215.77196	0.2
218.41911	0.1
249.18611	0.2
499.72861	0.2
611.33862	0.3
804.19019	0.2
814.86804	0.2
976.37573	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99564	1.5
71.01369	0.2
73.02950	13.9
91.05251	0.1
94.14621	0.1
99.00879	2.2
99.92587	16.2
100.92608	0.4
112.98566	1.1
114.93421	0.8
115.00391	0.3
116.92866	100.0
117.01940	22.3
117.92877	3.5
118.02321	0.1
131.91582	0.1
133.57654	0.1
149.72563	0.1
221.63329	0.1
229.51630	0.2
249.18849	0.2
252.12122	0.1
296.19461	0.2
424.28452	0.1
424.34583	0.2
562.54010	0.1
602.98615	0.1
611.35138	0.3
629.35693	0.2
761.23846	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	975.5892
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99788	0.4
69.03461	0.9
71.01382	15.2
71.05026	0.3
71.53131	0.3
71.53561	0.5
72.99303	1.5
73.02958	2.4
83.01379	1.8
83.05068	0.4
84.02168	1.3
85.02950	18.3
85.06581	0.7
87.00883	0.6
87.04539	0.9
89.02446	9.1
90.63757	0.3
95.01394	1.1
95.05047	0.5
96.96012	1.0
97.02958	1.1
97.06595	1.5
99.00895	1.3
101.02441	10.9
105.58652	0.3
109.06602	0.5
113.02450	5.9
119.03517	3.5
124.27223	0.3
129.01939	0.8
131.03493	0.4
132.04553	0.9
137.09685	0.4
143.03558	0.4
147.42441	0.4
156.30585	0.3
159.03003	0.6
161.04539	1.5
171.10260	4.6
177.58037	0.3
179.05614	1.5
183.13893	21.5
184.14180	0.7
195.13914	1.5
197.11917	0.4
201.11290	0.4
207.17661	0.5
211.13380	4.1
213.14923	0.6
223.16969	2.6
229.14465	1.1
233.15453	1.4
239.16547	0.8
241.14568	0.5
251.16502	5.7
269.17459	2.8
291.19543	2.2
299.13986	0.8
309.20767	0.9
311.62515	0.4
325.20212	0.9
326.20572	0.7
327.21750	100.0
328.22092	6.3
386.63086	0.3
408.16559	0.3
485.31125	3.8
486.31735	0.5
647.36456	83.0
648.26007	0.7
648.36780	13.8
649.37195	2.0
937.46838	1.7
938.47058	0.7
939.47113	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	976.5842
Annotation	Unknow
Peak:m/z	Relative Intensity
70.64079	100.0
78.74053	35.3
79.71474	31.9
124.58895	32.9
256.96542	38.5
295.60623	36.1
317.18900	33.9
472.32675	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	976.5895
Annotation	Unknow
Peak:m/z	Relative Intensity
71.26780	0.4
71.54509	0.6
78.64758	0.4
78.95902	35.2
85.02920	0.6
94.35031	0.4
96.96969	2.0
105.37981	0.5
106.78989	0.4
113.02473	0.6
127.35220	0.4
150.98044	0.6
152.99583	43.7
153.99977	0.6
156.91025	0.4
171.00641	12.8
172.31601	0.4
177.65448	0.5
205.77458	0.4
209.11839	0.6
210.84695	0.4
227.03316	3.0
228.14479	0.5
245.04300	60.2
246.04614	1.1
253.21716	30.3
254.22144	1.1
255.23224	0.9
277.21704	4.6
278.22073	2.7
347.91019	0.4
379.36432	0.5
445.23404	2.1
446.24045	1.0
480.31378	0.6
481.25708	100.0
482.26041	7.7
510.79822	0.4
529.30121	1.1
530.30377	1.0
626.02399	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.5842
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	11.5
72.02505	1.1
73.02948	2.3
79.54037	1.2
83.01420	1.4
85.02964	7.1
89.02443	3.8
95.01323	1.7
97.02956	1.2
98.20679	2.9
99.00909	1.8
101.02454	6.5
113.02452	10.5
119.03526	1.3
124.01663	2.5
125.02429	3.5
125.35386	1.1
139.66501	1.0
143.03511	1.7
161.04556	1.5
173.11510	1.1
276.87161	1.2
279.23288	100.0
280.23654	7.2
310.67169	1.2
449.29013	1.2
557.31036	1.5
575.31494	1.8
593.33264	12.0
594.33807	1.4
611.34308	46.7
612.34845	6.3
615.26337	1.1
629.35449	12.3
630.35803	1.7
653.35211	4.4
671.36389	4.9
891.59412	2.6
893.35541	1.2
934.58447	1.3
964.59491	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	975.5681
Annotation	Unknow
Peak:m/z	Relative Intensity
69.16548	8.6
69.16948	3.4
71.01381	14.0
73.02943	2.7
82.95403	1.7
83.01382	1.9
84.95133	2.2
85.02940	7.2
89.02448	6.5
95.01370	2.0
97.02954	2.4
101.02435	5.7
103.32983	1.2
104.99314	1.2
112.01558	1.1
113.02454	12.5
119.03493	1.9
125.02425	4.5
143.03484	2.8
160.42606	1.2
161.04558	1.3
277.21722	100.0
278.22144	5.7
376.96912	1.3
449.28952	1.9
465.08234	1.2
467.30048	2.4
487.21710	1.6
557.30975	1.9
593.33429	11.0
611.34412	53.2
612.34460	6.4
629.35339	16.2
653.35199	3.0
671.36591	5.0
889.56110	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	975.5674
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	16.0
72.99301	0.9
73.02941	3.2
82.95419	6.7
83.01392	2.2
84.00911	10.8
84.95118	13.1
85.01215	0.7
85.02948	8.5
87.00881	1.2
89.02443	4.9
91.60535	0.5
95.01393	2.1
97.02932	1.3
99.00866	1.9
101.02442	8.9
111.00841	0.8
113.02445	13.2
119.03500	1.9
124.01635	2.8
125.02458	3.7
143.03484	3.6
150.17656	0.5
161.04555	2.5
179.05492	0.5
244.90723	0.6
259.20572	0.7
271.93417	0.6
277.21713	100.0
278.22086	7.3
449.29050	1.9
467.30121	2.5
509.31265	0.7
557.31305	1.5
575.32288	2.3
593.33246	13.6
594.33545	1.6
611.34326	55.6
612.34723	9.7
629.35321	16.9
630.35992	3.0
653.35449	4.5
654.36102	0.7
671.36523	6.2
849.37000	0.6
871.56403	1.3
889.56860	2.7
995.41083	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.568
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	0.7
70.26691	1.1
70.27081	1.4
71.01386	14.7
72.99325	0.8
73.02955	3.6
80.98851	0.6
82.95422	3.7
83.01385	1.7
84.00903	5.1
84.95123	9.5
85.02953	8.3
86.00119	0.6
87.00858	1.1
89.02449	5.4
95.01389	2.0
97.02942	1.6
99.00889	1.7
99.20538	0.6
101.02451	7.5
106.47803	0.6
113.02451	12.1
119.03487	2.0
124.01663	2.7
125.02450	4.3
128.81232	0.7
143.03487	3.4
161.04541	2.9
179.05600	0.7
190.49471	0.5
239.27760	0.6
251.81725	0.7
277.21719	100.0
278.22037	7.4
299.17215	0.6
321.21494	0.6
375.80652	0.7
392.25726	0.6
398.43649	0.6
449.29080	2.4
467.30228	2.6
557.31024	1.3
575.32263	2.0
593.33203	14.0
594.33417	1.7
611.34332	49.7
612.34546	8.1
629.35437	13.2
630.35626	2.4
653.35260	3.6
654.35052	0.7
671.36749	5.7
672.36774	0.8
871.55115	0.8
889.57178	2.5
926.15802	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.5681
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84757	1.8
71.01376	15.4
72.99281	0.8
73.02933	2.8
83.01378	2.1
85.02956	6.4
87.00854	0.9
89.02435	6.1
95.01368	2.0
97.02956	1.2
99.00860	1.8
101.02441	7.5
108.07653	0.7
111.00877	1.2
113.02450	13.6
119.03537	0.9
124.01667	3.4
125.02454	3.9
143.03471	3.1
161.04530	1.9
179.05510	0.9
277.21710	100.0
278.22113	5.3
407.46881	0.8
449.29114	2.6
467.29938	2.3
557.31317	0.9
575.32538	1.6
593.33337	12.9
594.33661	2.1
611.34332	50.4
612.34753	7.0
629.35425	16.9
630.35657	2.6
648.55219	0.6
653.35309	4.0
655.91595	0.7
671.36426	4.6
730.72662	0.8
871.56152	1.2
889.56763	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	973.5736
Annotation	Unknow
Peak:m/z	Relative Intensity
69.71801	2.8
69.72218	2.0
71.01379	20.6
72.99284	0.9
73.02941	3.9
83.01387	1.5
83.45473	0.9
85.02963	13.6
87.00896	1.7
87.04491	0.9
88.67400	0.9
89.02441	9.0
93.03490	1.3
95.01380	2.2
95.05028	0.9
97.02937	1.8
97.06598	3.1
99.00850	2.6
101.02443	13.0
113.02446	8.0
118.49104	0.9
119.03487	2.6
125.09734	1.3
127.11282	1.6
129.01935	1.5
137.09677	1.3
143.03465	1.9
149.01544	1.0
155.10768	1.0
161.04526	3.3
165.12813	1.1
171.10243	13.9
174.75551	0.9
179.05574	3.1
183.13843	4.1
193.12312	1.3
199.13425	1.2
209.11723	1.6
211.11481	1.6
211.13387	20.6
212.13754	1.2
221.11789	2.8
229.12669	1.1
229.14468	13.4
239.12906	1.5
250.15591	0.9
277.60602	1.0
291.19632	2.8
327.21747	100.0
328.21976	7.8
465.28531	1.4
483.29471	6.3
484.29538	1.1
645.34882	97.4
646.35272	13.5
856.45837	1.0
937.46381	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	969.5398
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	11.3
73.02953	3.6
83.01383	2.1
83.05024	0.9
85.02950	6.0
87.00886	1.1
89.02459	3.2
95.01402	1.2
95.05054	0.6
99.00874	2.3
101.02448	8.2
113.02453	5.0
119.03505	1.3
119.23817	0.6
125.09688	0.9
127.07660	1.2
129.01849	0.6
130.08760	1.1
156.27849	0.5
161.04504	0.9
171.10272	1.6
185.11906	1.5
186.39529	0.5
191.05598	1.2
192.05914	0.7
193.01414	0.7
197.11839	1.6
201.11313	1.6
209.11827	4.3
215.98788	0.5
224.90285	0.6
237.14972	5.9
238.15131	0.6
250.63988	0.5
272.07916	0.6
289.18011	4.5
295.17169	0.7
301.21951	0.7
303.23279	7.5
307.15945	0.8
307.19144	6.2
319.22571	1.5
325.20132	11.3
326.20770	0.7
463.27155	1.1
481.28040	100.0
482.28391	9.6
629.35461	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.5384
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24369	100.0
80.37524	13.9
100.56271	13.9
122.77380	14.3
169.68098	12.6
223.97391	16.1
358.63345	14.4
371.55112	16.6
433.67130	16.2
471.96701	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	973.5735
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	1.2
71.01379	18.7
73.02952	4.6
81.03461	1.3
83.01383	3.2
83.05023	1.2
85.02948	13.9
87.00887	1.2
87.04526	1.4
89.02447	8.2
95.01384	2.3
95.05067	0.8
97.02966	2.1
97.06587	3.4
98.20648	1.6
99.00871	2.6
99.04526	0.9
100.40408	0.6
101.02443	9.9
111.00904	1.3
113.02454	6.7
119.03527	2.1
125.09779	1.1
127.11259	1.0
133.51727	0.7
137.09711	1.4
143.03471	1.1
159.03006	0.6
161.04585	3.1
170.31633	0.8
171.10272	14.1
177.12865	1.0
179.05620	2.3
181.12230	0.7
183.13890	3.9
193.12306	1.0
197.11844	0.9
209.11809	1.5
211.13399	19.6
212.13707	1.3
221.11771	3.2
229.14420	12.3
239.12892	2.1
291.19641	1.7
296.63553	0.7
316.94287	0.7
327.21744	92.2
328.22107	5.7
409.71957	0.7
425.25677	1.4
465.28329	1.3
483.29749	5.6
613.30835	0.8
645.34882	100.0
646.35205	11.9
937.46204	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	966.5428
Annotation	Unknow
Peak:m/z	Relative Intensity
98.26847	55.0
106.66544	52.0
188.53510	47.7
211.67741	48.9
385.12338	60.1
578.16833	57.0
701.74292	68.2
713.16656	57.3
741.49524	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.543
Annotation	Unknow
Peak:m/z	Relative Intensity
70.05069	30.8
75.11754	5.9
78.95884	42.7
88.98801	13.9
108.42336	6.1
113.02437	7.6
152.99574	49.6
209.30780	6.0
245.04256	20.7
255.23289	100.0
256.23663	29.5
277.21735	10.6
397.13196	11.8
481.25818	34.2
482.26196	36.8
483.27209	78.0
484.27682	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	966.6601
Annotation	Unknow
Peak:m/z	Relative Intensity
96.96001	2.3
103.56348	1.3
110.39501	1.5
112.70927	1.5
128.99403	1.4
160.66211	1.6
195.42580	1.8
209.93767	1.7
402.91568	1.5
405.52371	1.5
406.81396	1.9
468.93295	1.6
572.71387	1.7
581.17615	1.7
705.74274	1.9
905.66913	2.8
906.67401	11.5
966.66040	100.0
967.66223	24.4
980.85400	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	968.5582
Annotation	Unknow
Peak:m/z	Relative Intensity
67.65697	54.4
72.77650	60.0
82.21429	52.2
82.62298	53.6
88.98804	83.4
89.39712	50.1
105.67696	55.1
152.99582	56.2
166.99860	48.8
232.42639	51.9
255.23187	91.7
256.23563	100.0
277.21658	83.6
409.61227	64.3
734.21747	65.0
827.40588	53.3
878.35767	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	968.5588
Annotation	Unknow
Peak:m/z	Relative Intensity
69.95779	100.0
70.24445	25.6
72.46938	25.1
74.50996	31.0
75.34210	26.6
87.85876	30.0
88.98811	81.4
89.09617	29.9
90.41201	31.7
94.57483	24.4
98.20612	33.3
101.81196	24.1
116.97851	28.3
123.98063	27.3
130.24660	27.1
132.00067	32.2
167.18359	34.9
188.29027	27.2
269.46964	32.7
293.21167	69.5
294.21555	49.4
333.56973	29.6
483.27206	31.7
629.34924	32.5
738.57288	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	968.5587
Annotation	Unknow
Peak:m/z	Relative Intensity
70.28573	23.0
70.28971	25.6
71.01400	18.7
89.02428	20.6
97.02946	25.4
101.02475	18.6
107.39339	11.5
145.55716	11.3
190.10924	12.1
197.11806	18.2
216.13750	11.0
257.61688	11.5
277.21722	59.7
278.22089	25.3
291.19818	14.8
309.20700	100.0
310.21066	38.8
380.50549	12.7
387.30090	11.7
397.13330	36.9
398.13773	18.8
422.21088	12.0
432.42676	12.3
776.09344	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	963.6856
Annotation	Unknow
Peak:m/z	Relative Intensity
70.61578	0.7
80.61605	0.3
81.03452	6.7
83.05022	15.2
89.39069	0.3
108.04534	0.3
115.07491	0.3
125.07150	0.7
126.05624	0.6
143.08240	0.4
207.15010	1.0
224.17645	2.3
225.16054	9.1
242.18774	0.4
309.21796	0.7
324.26785	0.4
333.22946	0.7
341.29214	0.7
367.27048	0.9
433.31747	1.2
450.34418	1.2
451.32858	8.2
452.33115	1.2
457.21616	0.3
550.43164	0.6
677.49774	1.5
885.64728	0.5
903.66449	100.0
904.66754	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01368	1.5
71.54112	1.5
78.95905	42.9
82.60099	1.1
86.89153	1.1
87.68037	1.1
88.98817	3.9
96.96008	2.5
96.96964	3.5
152.99580	60.8
153.99934	1.7
163.55304	1.3
171.00635	7.5
175.21135	1.3
227.03241	5.5
229.16542	1.1
245.04301	32.1
246.04683	1.5
247.78256	1.1
249.15015	1.2
253.21732	11.1
254.21954	2.0
255.23289	98.1
256.23639	6.2
277.21896	2.9
289.18100	1.7
291.19601	2.2
307.19022	2.4
325.18344	2.4
481.25705	100.0
482.26041	21.3
483.27173	84.7
484.27408	6.8
615.65173	1.4
951.16968	1.3
974.77350	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	965.5843
Annotation	Unknow
Peak:m/z	Relative Intensity
70.57558	3.3
70.65255	8.6
71.01377	39.1
73.02930	5.3
80.96539	4.8
83.01414	3.6
85.02924	17.1
88.74348	2.9
89.02429	20.2
97.02896	3.0
99.00909	3.9
101.02464	16.1
113.02444	27.9
119.03477	8.4
130.72871	3.0
143.03516	5.4
161.04561	4.5
277.21710	91.3
278.22040	5.9
279.22839	3.7
312.67514	2.9
342.57465	3.6
450.05795	3.7
465.28262	4.5
483.29773	6.0
518.33911	3.5
627.33832	100.0
628.33990	12.5
645.34882	49.6
646.35492	8.3
905.56329	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	966.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
71.52355	30.3
71.52765	33.0
78.91843	37.5
80.91688	94.8
91.74087	38.0
96.65260	32.5
98.70659	34.7
130.79480	31.9
146.93890	66.5
167.94640	31.9
203.95926	64.8
209.11769	100.0
212.23549	30.3
267.32855	33.6
277.21744	35.3
284.78363	38.9
538.95721	35.0
686.58038	35.4
859.74573	35.1
877.23828	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.5427
Annotation	Unknow
Peak:m/z	Relative Intensity
71.53983	3.4
78.95908	44.1
88.98821	4.4
96.96977	3.1
102.60696	2.8
151.80458	2.9
151.81682	3.0
152.99591	65.4
153.99913	5.1
169.80017	2.6
171.00650	6.3
189.14288	2.8
227.03415	4.3
245.04295	17.6
246.04582	3.0
253.21738	8.4
255.23293	100.0
256.23615	31.9
277.21652	4.0
397.13739	4.0
434.10587	2.7
463.22260	2.8
481.25757	36.4
482.26068	41.6
483.27283	73.8
484.27655	33.6
486.01987	3.2
629.21796	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	963.4814
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01889	2.0
69.03460	10.4
70.85077	1.1
71.01382	95.8
71.54085	1.5
72.01709	1.3
72.99301	9.9
73.02947	38.8
75.00872	2.8
79.01907	1.6
81.03474	3.1
83.01391	24.4
83.05003	2.0
85.02952	53.0
86.00093	7.3
86.03269	1.2
87.00883	25.1
87.04514	7.7
89.02445	36.3
95.01394	11.8
96.96008	6.5
97.02956	13.6
98.95582	6.7
99.00881	13.9
99.04503	2.7
99.92595	10.1
100.92586	3.3
101.02444	65.0
101.92428	2.1
103.04034	8.4
106.23650	1.1
109.02952	2.6
111.00903	5.4
113.02453	35.4
115.04012	6.7
115.92077	11.7
116.92083	4.3
116.92853	23.4
117.92042	2.2
117.92863	8.6
118.92683	5.0
119.03490	14.3
123.00858	3.0
124.01661	18.6
125.02450	26.0
127.00388	5.4
127.03992	5.1
128.15324	1.3
129.01945	1.7
131.03505	10.4
131.80630	1.3
139.00368	2.4
140.82271	1.1
141.01965	4.5
143.03528	18.0
145.05031	5.2
153.74057	1.5
159.02979	2.4
161.04538	5.3
163.06140	8.1
167.03532	1.2
173.46068	1.3
187.02507	3.8
205.07164	11.0
229.07285	1.6
247.08305	4.2
275.65353	1.2
289.09500	1.7
300.66989	1.2
467.30228	4.0
545.16321	1.6
595.35120	1.7
611.34406	6.6
613.36090	10.1
614.36688	1.4
629.35291	6.5
655.37128	2.3
670.51074	1.6
671.36334	1.8
683.36517	1.9
721.38208	9.3
739.37891	4.0
757.40198	36.5
758.40637	4.8
773.39294	2.2
775.41162	43.7
776.41425	9.0
781.36383	14.2
782.37390	2.3
784.40631	1.4
817.41864	3.6
824.36786	1.4
903.45941	100.0
904.46179	20.8
919.35687	1.5
921.46967	98.6
922.47394	22.5
940.85309	1.8
963.48419	19.5
964.48376	4.2
997.55829	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.5212
Annotation	Unknow
Peak:m/z	Relative Intensity
67.08780	0.3
69.98611	1.3
69.99014	0.6
70.12729	0.3
78.95905	31.6
80.91711	0.4
89.92056	0.4
96.96964	2.1
98.19999	0.7
132.35085	0.3
147.88968	0.3
152.99580	46.9
154.00034	0.5
171.00639	10.9
227.03267	2.5
245.04295	56.6
246.04715	1.3
253.21707	26.8
254.21988	1.7
481.25708	100.0
482.26010	7.7
600.23297	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01901	1.8
69.03451	6.3
69.28026	12.1
69.28432	3.7
71.01384	63.1
72.12325	1.5
72.99313	5.0
73.02949	12.3
75.00887	3.0
75.19164	1.5
79.01894	2.5
81.03461	2.6
83.01391	31.6
85.02953	32.4
85.03460	2.0
86.00081	1.8
87.00890	4.2
89.02448	26.2
93.03506	1.8
95.01389	37.0
97.02946	5.5
99.00885	13.6
101.02454	35.3
102.16280	1.6
107.01370	1.9
111.00863	9.3
113.02455	49.2
119.03518	9.0
124.01684	3.1
125.02453	26.9
127.00369	28.0
139.00378	27.0
143.03499	3.9
151.00356	4.3
157.01443	3.7
161.04536	4.8
167.03711	2.1
169.01405	5.3
171.10294	2.9
187.02544	2.0
229.03508	2.9
247.04536	4.9
248.16255	1.8
254.57968	1.8
265.09274	3.9
327.21652	4.0
458.09747	2.0
467.30087	2.3
557.30927	2.3
593.33466	10.8
594.33606	2.0
611.34357	45.7
612.34814	6.4
629.35449	31.2
630.35724	4.2
653.35199	14.2
654.34808	2.6
671.36475	43.6
672.36914	3.9
697.34442	3.4
713.37531	5.4
739.35400	22.7
740.36774	2.3
781.36591	100.0
782.36823	18.5
811.37518	18.7
812.38245	3.1
823.37488	7.4
919.41077	10.0
920.41876	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	961.6099
Annotation	Unknow
Peak:m/z	Relative Intensity
71.00957	0.5
71.01377	8.1
72.99303	0.4
73.02937	3.0
74.78587	0.2
75.00902	0.2
78.09827	0.2
83.01379	1.3
84.02185	0.4
85.02944	4.9
87.00860	0.5
89.02436	1.8
95.01399	0.9
97.02946	0.3
97.06580	0.4
98.46194	0.2
99.00876	1.2
101.02444	5.2
111.00875	0.8
113.02449	3.2
119.03511	0.3
121.10265	0.4
125.09711	3.1
127.11285	6.1
129.01949	0.6
137.09706	0.8
139.11301	4.3
143.10756	0.3
153.09238	0.2
155.10771	2.9
156.11169	0.2
157.12343	0.6
159.03000	0.2
161.04520	0.8
165.09238	1.2
171.10265	29.2
172.10539	1.2
183.10262	0.7
185.11830	0.6
199.09755	1.5
201.11311	26.3
202.11687	1.0
238.99710	0.2
275.20245	1.4
293.21140	2.5
311.22275	1.4
329.23300	100.0
330.23648	6.9
331.23883	0.3
469.31601	2.5
470.31973	0.3
629.35437	0.3
630.36377	0.5
631.36920	51.7
632.37335	6.7
633.37421	0.3
669.34802	1.0
670.34558	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45526	6.6
71.02506	7.2
72.00896	3.7
73.04069	5.8
74.02469	10.9
82.01714	1.8
82.02966	4.1
83.02493	4.3
84.00890	3.2
85.04067	7.0
87.05623	3.6
93.03444	1.0
96.03295	1.1
96.96004	5.5
97.00427	1.5
97.04082	1.1
98.01200	2.0
98.02438	1.0
98.06121	1.0
98.19928	1.7
99.01395	1.2
99.02001	19.1
99.05624	1.0
109.04072	1.6
110.01181	1.6
110.06116	1.3
111.02014	4.5
113.03559	7.4
113.07195	2.8
115.08764	17.7
116.05058	23.8
118.06621	1.3
119.04993	3.0
125.03549	3.9
125.07203	8.6
126.05579	1.0
127.05127	8.4
127.08746	2.4
128.03729	1.1
128.04665	3.3
130.06570	3.4
131.03751	1.7
131.04620	6.5
132.04510	2.0
133.05325	1.7
134.06096	5.8
135.05605	1.9
136.04047	1.6
137.07225	6.8
139.05130	1.5
141.06696	21.5
142.06625	7.0
143.08214	2.8
143.68288	0.9
146.06100	4.1
148.07629	1.3
152.08278	2.3
153.06693	17.8
154.09859	3.1
155.08264	4.3
156.06943	1.6
157.07646	4.0
158.06068	4.1
158.26878	1.3
159.09283	6.2
160.04021	1.2
160.07657	3.4
162.05568	2.8
163.08733	1.6
164.07103	1.0
166.09782	1.0
170.06140	1.0
170.09351	28.0
172.10896	4.2
174.05585	1.0
177.06740	2.2
179.04573	7.7
180.07758	1.5
184.10950	3.2
185.07159	1.8
186.05598	15.1
189.06694	2.3
196.41684	1.0
198.08855	5.1
200.07304	1.2
201.06778	1.0
203.04498	0.9
203.08261	30.2
204.08551	1.3
205.06148	3.2
206.09229	1.6
207.07796	1.3
210.98972	0.9
214.09734	2.1
215.08232	1.4
216.11392	3.3
217.06105	2.1
217.09818	5.9
217.13188	1.1
220.10881	2.0
224.10352	1.6
227.11571	3.6
229.09804	2.8
234.08803	1.1
234.12479	1.4
255.10834	1.2
260.10440	7.9
261.08755	1.7
263.11337	1.3
272.10382	1.8
272.13940	1.0
278.11548	1.1
281.12466	2.9
282.12527	1.1
290.11505	1.4
290.15073	1.0
293.12634	0.9
300.56485	0.9
316.12799	1.6
320.16394	1.3
333.15643	2.2
346.15576	13.7
358.15601	3.6
363.17957	1.9
370.13901	1.2
387.16797	7.8
390.14539	1.9
407.17252	1.1
432.18918	1.3
524.21527	2.6
532.21942	1.4
544.21771	2.8
561.25165	5.4
574.23090	3.3
591.25867	8.0
592.26086	2.4
595.25836	1.2
724.31207	4.8
728.30023	1.4
754.32013	18.2
755.32373	4.3
767.78143	1.0
932.39856	11.5
933.39410	3.4
944.38428	2.1
962.40497	100.0
963.40558	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	961.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	2.4
72.99328	0.9
79.95755	4.6
81.95328	1.1
84.21474	0.7
85.02955	1.1
87.00901	0.7
89.02450	0.7
96.96012	96.4
97.95951	2.4
98.94942	1.4
98.95598	24.7
98.96425	3.7
99.00864	0.9
99.92585	44.8
100.92638	1.6
100.93358	1.8
101.02444	1.4
113.02447	0.8
115.92080	41.4
116.92861	100.0
117.92861	2.8
119.05066	0.8
125.02498	0.7
141.93642	2.9
142.94447	2.4
153.71999	0.6
170.93948	1.6
171.10205	1.1
172.10632	0.6
174.93558	0.8
184.91798	1.7
211.13445	0.7
211.94191	0.8
225.95735	0.9
233.12971	1.9
259.96130	1.5
301.97379	0.9
329.23318	4.5
330.23697	3.5
331.23950	1.2
520.53943	0.8
624.10663	0.8
629.36060	1.3
630.36255	1.0
678.27185	1.7
679.28131	1.1
720.29407	0.9
821.31323	1.6
839.31281	1.6
875.34033	3.5
917.34491	6.2
918.35846	1.1
961.33801	8.3
962.34216	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	961.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	3.3
71.53870	1.2
72.99316	1.1
79.63690	0.7
79.95733	4.1
81.95330	1.6
85.02955	0.6
89.02460	1.4
93.17870	0.8
96.96009	97.2
97.95945	2.9
98.95596	23.4
98.96410	4.8
99.00879	1.2
99.92583	43.7
100.92599	1.8
100.93385	2.0
101.02446	1.1
106.36669	0.6
113.02452	0.8
114.93371	1.0
114.94902	0.9
115.92080	45.5
116.92860	100.0
117.92871	2.9
117.93629	0.8
119.05009	0.8
126.94911	1.2
141.10684	0.6
141.93671	2.2
142.94417	2.2
154.94490	0.9
168.18164	0.6
169.93193	1.0
170.93938	1.5
171.10355	0.9
171.94621	0.7
174.93376	0.9
211.13390	1.0
223.94260	0.7
229.14455	1.1
233.12988	2.3
237.42230	0.9
259.96362	1.6
274.50656	0.8
313.90448	0.7
329.23361	5.3
330.23672	3.6
351.61978	1.0
457.87674	0.9
531.21118	1.3
549.21814	0.8
630.35718	0.8
678.27502	1.1
679.27850	1.4
717.27240	1.0
720.28424	1.3
821.31219	2.1
839.31549	1.4
863.31653	0.9
875.34113	2.6
917.34326	6.9
918.35480	1.3
961.33569	9.7
962.35352	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	958.6106
Annotation	Unknow
Peak:m/z	Relative Intensity
71.16217	100.0
75.18047	41.6
80.14762	40.7
173.27666	46.0
183.62013	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
69.11977	0.1
71.01380	0.8
71.52103	0.1
73.02952	0.1
78.60253	0.1
79.95733	4.3
85.02942	0.2
89.02451	0.9
94.67516	0.1
95.17786	0.1
96.61163	0.1
96.96008	100.0
97.93120	0.3
97.95934	0.2
101.02417	0.6
113.02452	0.4
113.92619	0.3
114.93406	1.1
119.03513	0.3
139.11259	0.3
143.03493	0.2
161.04652	0.2
171.10300	0.8
179.05614	0.4
211.13370	0.7
213.73640	0.1
229.14476	0.4
329.23276	3.3
330.23706	0.6
351.73947	0.1
383.56531	0.1
387.72113	0.1
557.48932	0.1
629.35406	0.6
757.39941	0.7
775.41571	0.3
817.42334	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
68.46577	0.7
69.55377	4.5
71.02484	2.1
72.00896	1.7
73.04069	6.8
74.02479	6.4
82.02966	1.8
83.02503	2.8
84.00919	0.9
85.04060	3.1
87.05629	2.8
93.03442	1.2
95.02473	1.8
96.04549	0.7
97.04071	2.1
98.02450	1.0
99.02002	24.9
99.05608	1.1
109.04057	2.4
109.53124	0.7
110.06116	0.8
111.02016	3.8
112.05154	2.0
113.03574	8.5
115.05157	1.0
115.08751	5.0
116.05061	12.5
121.02888	1.3
123.05629	0.7
124.04034	0.8
124.48723	0.7
125.03556	3.2
125.07172	4.3
127.05123	5.0
128.03500	1.0
128.04663	1.5
129.03015	0.6
130.06261	4.0
131.04642	4.6
134.14632	0.6
135.05583	0.9
136.04066	1.4
137.07222	3.3
139.05113	1.0
139.08771	1.3
140.07106	1.1
141.06693	6.1
142.06662	4.0
144.07809	1.9
144.39288	0.7
149.07147	1.4
151.05124	3.3
151.08797	0.7
152.05969	0.8
153.06697	17.5
155.08261	4.8
156.04120	1.0
157.07722	6.3
159.09270	3.3
163.08673	0.8
165.01886	0.9
166.09848	1.3
167.04623	0.9
167.08275	4.5
167.09474	0.7
170.05757	1.2
170.09343	11.3
172.10904	3.0
173.04530	1.7
173.09276	2.4
177.06631	0.8
179.04617	6.1
181.09744	1.1
183.05666	2.0
184.10855	1.3
186.12265	0.9
188.06694	1.0
192.07794	1.6
193.06073	1.0
198.08809	3.0
200.08257	1.0
202.09830	0.9
203.08258	12.1
206.09419	1.6
207.07693	2.9
210.08786	3.0
211.11897	1.6
214.09843	1.2
216.11388	2.6
227.11473	1.3
228.07657	1.0
228.11411	3.1
229.13161	0.9
240.07774	1.2
241.12920	0.9
242.09422	1.5
260.10379	5.5
263.11429	1.9
267.11060	1.4
271.11789	0.9
272.10397	1.7
273.13528	2.6
281.12592	5.6
285.13620	1.1
290.11481	1.0
293.12311	0.9
317.12558	1.7
325.11530	1.1
372.20007	1.1
394.19028	1.1
410.18375	4.8
442.16815	1.0
454.17410	2.3
471.19891	4.7
484.18494	1.1
501.20892	3.6
687.28491	2.6
857.76770	0.9
865.36646	6.9
866.36102	2.2
868.26843	0.8
877.36127	1.5
895.37378	100.0
896.37665	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	957.5441
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03459	3.2
71.01379	15.8
71.54034	1.1
72.99334	1.3
73.02942	2.4
80.10109	1.0
83.01393	2.6
83.05032	2.6
85.02947	5.9
87.00869	3.5
89.02442	14.1
93.03539	0.8
95.01391	2.5
96.96039	1.0
97.02943	24.4
97.06554	1.2
99.00871	2.3
99.22022	1.0
99.50710	0.9
101.02448	16.2
111.04544	1.0
111.08171	1.1
113.02451	6.6
113.26130	1.2
113.29311	0.9
116.92845	1.2
117.01895	0.9
119.02795	1.0
119.03450	4.9
119.08662	2.8
121.06525	1.0
123.04549	1.3
125.02418	5.3
125.09683	2.1
137.09732	11.4
139.03947	1.7
143.03519	2.6
150.59666	0.8
151.04016	5.0
151.07629	11.8
152.08441	7.3
153.72011	1.0
155.10770	1.2
158.63463	0.9
161.04587	4.5
165.12819	1.0
167.10828	1.1
171.10263	22.8
179.05583	3.2
185.11801	3.2
191.05539	1.1
193.08713	1.5
195.13892	1.4
201.11258	1.3
209.15463	14.0
211.13347	3.5
221.06557	1.1
221.11815	2.9
231.57280	1.0
235.08192	6.4
239.12833	4.3
247.20648	1.3
249.18587	35.9
250.18976	2.9
252.10025	2.0
253.09311	2.1
265.18011	3.4
273.18561	1.4
287.07611	1.5
291.16599	1.8
291.19638	14.6
292.19797	1.7
305.08774	2.2
309.17056	25.6
309.20688	100.0
310.17657	1.6
310.20758	6.7
327.21738	1.3
397.13501	70.8
398.13785	3.0
415.09085	1.8
415.14511	22.5
416.14825	1.1
647.33197	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	957.5346
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	43.2
72.99310	2.8
73.02951	4.1
73.59908	2.4
83.01389	3.0
85.02952	12.2
87.00881	6.0
89.02441	33.7
95.01357	2.5
98.20715	3.5
99.00873	4.4
101.02446	30.5
113.02444	27.3
119.03514	17.6
124.07507	2.2
131.03523	2.6
143.03496	6.7
146.24991	2.2
161.04570	9.0
179.05594	5.6
230.14426	2.5
259.17914	2.1
273.39297	3.1
277.21722	100.0
278.22055	7.1
291.23154	2.3
353.89606	2.4
463.27216	10.7
481.28195	13.7
509.46277	2.5
546.06903	2.6
625.32263	33.7
626.32605	6.6
627.33600	2.4
643.33221	49.9
644.33734	7.7
846.95471	2.4
957.53455	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	957.5425
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	7.4
71.01379	11.3
71.54089	1.0
72.99305	0.8
73.02943	2.6
81.87791	0.8
83.01393	2.3
83.04996	1.3
85.02969	3.9
87.00868	2.6
89.02444	11.2
95.01376	1.3
97.02962	2.2
99.00867	0.9
101.02450	10.0
108.05816	1.9
113.02462	5.9
116.92836	2.1
119.03515	3.2
119.08665	9.1
123.08140	1.1
125.02442	3.4
125.09718	1.8
127.11250	1.7
133.04987	0.8
135.08174	2.5
137.09723	39.5
138.10074	0.9
141.95616	0.9
143.03503	1.5
159.19580	0.7
161.04608	1.9
166.42297	0.7
171.10271	96.3
172.10597	2.9
179.05602	2.0
185.11821	2.5
201.11317	4.9
209.11931	1.6
229.19534	0.8
235.08257	4.6
249.18588	25.0
250.18936	1.5
253.09261	2.4
257.45215	0.8
267.28683	0.8
273.18686	2.7
287.07648	1.0
291.19644	10.4
305.08734	1.9
309.20709	100.0
310.21014	6.7
343.21194	1.4
397.13507	47.4
398.13879	2.7
415.14581	15.7
416.14734	1.1
454.27411	1.0
515.38507	0.9
611.34283	0.8
612.33600	0.7
629.35675	1.7
631.36151	1.0
647.32813	2.2
686.49084	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.5346
Annotation	Unknow
Peak:m/z	Relative Intensity
70.66238	15.6
71.01379	100.0
85.02955	19.4
87.00874	11.3
89.02448	54.1
89.33217	6.9
95.48878	8.0
99.00864	10.3
101.02448	60.1
111.00896	29.4
113.02460	66.2
119.03490	30.7
119.19937	8.3
129.01958	9.0
141.01944	12.9
143.19757	8.5
149.04553	8.1
161.04535	20.4
179.05602	16.9
209.68279	8.4
217.57098	7.2
236.40962	7.5
237.22169	7.7
277.21747	95.1
383.20547	8.2
537.34058	16.5
629.30975	9.2
643.33331	98.7
644.33771	14.0
661.34216	51.9
679.40198	12.5
921.56079	28.9
957.54669	36.1
958.54718	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	957.5348
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	86.1
72.99310	7.9
73.02944	5.4
85.02945	13.4
87.00874	8.8
89.02446	100.0
99.00892	7.5
101.02438	52.4
109.06602	20.4
111.00891	5.9
113.02454	58.5
116.92899	5.1
118.84713	3.7
119.03514	60.6
131.03522	8.4
141.01895	7.4
142.48901	4.7
143.03499	13.7
148.86929	3.3
149.04570	9.1
152.99640	4.7
161.04561	27.2
168.29584	3.7
179.05621	50.0
211.78424	4.2
229.43158	5.8
262.38104	4.6
277.21741	96.1
277.24805	6.4
278.22128	8.1
291.23337	20.7
293.21051	4.8
319.22717	16.1
327.76166	5.0
351.12112	17.8
481.28125	13.6
495.98654	4.4
532.07776	4.5
539.78888	4.7
605.40491	7.9
611.33374	7.2
625.31683	4.8
643.33295	51.0
644.33899	8.2
661.34143	32.2
680.64484	4.1
684.50177	4.9
921.55914	25.1
924.94971	4.3
957.53503	33.9
958.54742	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	957.5348
Annotation	Unknow
Peak:m/z	Relative Intensity
70.09344	14.9
71.01382	63.3
73.02935	5.5
80.96525	4.5
83.01392	8.5
85.02962	17.2
85.69346	3.7
87.00900	6.5
89.02452	39.5
95.01441	4.8
97.02967	4.9
99.00880	5.2
101.02448	42.4
111.00932	16.4
113.02448	43.2
119.03508	22.3
129.01918	6.2
141.01956	11.1
143.03465	10.1
146.82010	3.1
159.03076	5.2
161.04556	17.7
164.53032	3.4
179.05592	12.0
195.66893	3.6
211.13788	3.4
277.21732	100.0
278.21912	6.0
291.23196	5.2
357.19595	4.1
370.63138	4.0
383.20660	10.2
419.18216	15.0
451.78125	3.4
483.29706	7.1
537.34534	9.7
609.32617	9.8
611.30304	4.6
627.33655	7.0
643.23132	6.4
643.33411	81.3
644.33435	11.5
645.34216	3.8
661.34393	52.8
662.35468	4.7
757.48706	5.8
921.55609	28.0
922.56848	6.8
957.53491	41.0
958.54248	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	956.5952
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38290	100.0
71.37045	12.2
81.19996	14.7
88.98811	31.4
108.39431	11.2
665.73755	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	957.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99790	0.7
69.03456	1.3
71.01377	19.3
71.05016	2.5
72.99311	6.1
73.02941	3.1
75.00868	10.4
83.01395	1.9
83.05053	1.0
85.02948	15.5
87.00865	4.7
89.02441	3.4
95.01376	3.1
96.95988	2.1
97.02977	3.6
97.06577	2.0
99.00884	19.9
101.02435	4.2
103.00378	1.6
109.06557	1.6
111.00882	0.9
113.02449	10.4
115.00368	1.9
115.76252	0.8
117.01921	1.7
123.08112	1.0
125.09754	5.5
129.01886	0.7
135.08064	0.7
136.05334	0.8
142.02708	1.8
142.97173	0.7
148.59959	0.7
163.11272	6.8
175.02423	1.2
181.12334	13.2
197.11826	1.1
199.13382	8.3
201.11292	2.7
207.08351	1.3
207.10252	20.2
208.10594	0.9
213.11221	1.7
225.11310	24.8
225.13560	1.2
226.11697	1.3
229.17178	0.7
243.12346	14.8
249.06108	1.0
303.23206	2.9
317.16064	1.6
327.21722	6.8
467.29965	1.0
481.28061	2.0
493.19116	1.3
629.35461	3.2
734.00879	0.7
773.40784	0.9
779.42023	3.1
781.43622	1.8
884.35144	0.8
957.46912	100.0
958.47089	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	957.5338
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01404	7.9
78.95890	8.7
86.46069	4.6
88.98869	4.8
89.02453	9.7
96.96005	6.8
101.02473	6.0
101.76793	4.2
116.89552	4.3
141.78641	4.1
171.10315	6.8
199.63675	4.6
235.27237	4.2
251.16551	8.4
277.21786	10.1
279.23117	20.8
281.24039	4.6
291.19659	12.7
309.17255	5.9
309.20697	100.0
310.21112	8.5
327.21921	6.5
476.27756	7.4
611.34387	19.4
612.34161	6.0
627.33105	5.0
629.35376	55.5
630.35266	9.1
645.34985	5.0
921.55341	17.8
957.52759	15.4
958.54688	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	957.5352
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39388	22.6
69.39803	5.6
71.01383	41.6
73.02944	7.0
75.85595	3.9
80.96492	3.3
83.01392	6.0
85.02946	12.8
86.84704	3.0
87.00919	4.1
89.02428	27.2
95.01389	3.9
95.80890	3.3
96.85878	3.4
99.00884	5.5
101.02441	31.3
111.00840	4.9
113.02447	38.1
117.25332	3.2
119.03484	18.1
125.02464	3.5
129.01924	4.3
143.03487	9.9
146.33699	3.2
159.03036	4.7
161.04500	8.8
179.05667	7.1
188.59157	3.5
213.01730	5.1
236.45197	3.4
245.60323	3.7
277.21710	100.0
278.21976	8.8
345.24805	3.6
463.26834	4.4
481.28543	4.0
507.59055	4.2
611.34003	6.3
625.32208	39.4
643.33423	44.7
644.34479	8.0
887.01270	5.1
921.56256	4.9
957.54254	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	955.563
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	7.6
73.00269	0.8
73.02947	1.4
75.70891	0.7
83.01376	1.0
83.05029	1.2
84.56758	0.6
85.02943	4.1
86.75287	0.7
89.02441	4.0
97.06583	2.4
98.20290	4.4
99.00881	0.9
99.86179	0.6
101.01837	1.0
101.02434	5.6
111.08167	10.4
113.02436	2.4
119.03476	0.8
123.08171	2.4
125.09726	18.0
127.11304	4.8
135.08142	1.4
137.09727	5.6
139.11334	1.0
141.09195	2.0
151.11259	3.4
153.09206	2.9
155.10771	3.0
157.12469	0.7
164.08401	1.6
165.09166	2.2
167.10789	1.2
169.08743	0.7
171.10252	9.3
183.10214	0.9
188.40308	0.7
188.80823	0.6
195.10234	3.2
199.09775	2.1
201.11319	46.8
202.11829	0.9
213.11319	28.7
214.11502	0.9
233.61336	0.7
237.15010	1.5
245.19185	1.5
250.12122	1.5
289.18109	11.2
291.28857	0.8
307.19128	25.1
308.19537	2.0
313.78885	0.7
323.90604	0.6
325.20197	100.0
326.20505	8.6
338.03860	0.7
349.86005	0.9
356.95267	0.7
467.30087	1.9
560.78607	0.7
592.20782	0.7
599.34106	0.8
607.26117	0.7
629.35437	43.6
630.35638	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	953.5848
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	15.6
71.53881	2.2
73.02936	2.3
83.01379	1.8
85.02960	7.6
89.02444	3.7
89.19302	1.2
91.29857	1.2
95.01378	2.4
98.09494	1.4
99.00914	2.4
101.02433	6.9
113.02464	8.7
113.51801	1.4
119.03484	2.0
121.68706	1.3
123.09349	1.6
124.01640	2.0
125.02455	3.2
130.04797	1.3
143.03461	2.9
255.23289	100.0
256.23660	5.9
283.20450	1.4
413.84622	1.5
449.29443	2.1
549.06165	1.5
557.30505	1.8
592.15643	1.6
593.33337	15.0
611.34314	39.4
612.34796	4.6
629.35590	10.5
653.35748	3.9
671.36713	6.0
867.59558	2.2
868.58331	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	954.5788
Annotation	Unknow
Peak:m/z	Relative Intensity
69.12816	52.4
70.96501	100.0
88.06890	47.7
91.27011	51.4
195.09438	46.5
233.60361	61.0
237.84720	51.5
309.18573	48.5
357.06622	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.5792
Annotation	Unknow
Peak:m/z	Relative Intensity
70.00568	76.4
70.00952	100.0
72.04471	41.4
81.04381	35.7
120.44132	45.0
132.45345	38.8
171.93427	43.4
247.68597	40.2
857.54559	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.584
Annotation	Unknow
Peak:m/z	Relative Intensity
67.75641	0.6
70.26331	1.9
71.01382	14.0
72.99324	1.0
73.02947	2.5
83.01379	2.4
85.02951	7.5
86.00089	0.9
87.00876	1.7
89.02441	4.6
95.01395	1.5
97.02938	1.4
98.20541	0.7
99.00909	0.7
101.02454	6.5
113.02453	12.6
119.03479	1.3
124.01646	2.6
125.02439	3.5
142.02852	0.6
143.03499	2.7
161.04486	3.0
183.80949	0.6
255.23279	100.0
256.23624	5.7
269.24991	1.0
311.16809	1.5
449.29037	1.4
467.30112	1.2
547.33020	0.6
557.31000	1.1
575.32501	1.2
578.38068	0.6
593.33319	12.4
594.33655	2.1
611.34320	39.4
612.34631	6.2
629.35388	9.2
630.35638	1.2
631.43701	0.6
653.35571	4.8
654.35614	1.0
671.36359	4.6
849.57642	1.5
867.57495	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	951.5286
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	0.9
71.53104	0.3
74.63273	0.3
85.02956	0.5
87.00877	3.0
88.00409	2.0
88.98806	100.0
89.02441	11.7
89.99130	0.8
101.02447	0.4
108.16178	0.3
113.02476	0.5
124.34699	0.3
146.66690	0.3
152.31671	0.3
194.60393	0.3
229.21278	0.4
240.97198	0.3
249.18631	2.4
280.08142	0.3
586.33563	0.4
611.34393	3.1
612.34802	1.0
622.90399	0.4
629.35327	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	952.5634
Annotation	Unknow
Peak:m/z	Relative Intensity
69.99451	100.0
75.77503	21.9
98.20595	25.6
100.40264	19.5
169.23758	22.5
174.51268	20.2
180.25134	21.3
181.47090	23.7
219.85645	26.2
225.36707	22.6
233.80043	21.6
931.57617	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	952.5634
Annotation	Unknow
Peak:m/z	Relative Intensity
70.80161	90.5
79.13818	100.0
98.08237	89.9
178.08546	99.6
229.48116	89.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99828	1.0
69.03445	3.3
69.59210	4.9
71.01382	59.6
72.99303	5.9
73.02950	27.7
75.00867	1.9
83.01390	7.7
85.02951	20.8
86.00095	2.2
87.00876	17.7
89.02447	39.7
95.01389	4.3
97.02932	4.0
98.19879	1.4
99.00894	7.3
99.04505	1.0
101.02446	46.2
109.02963	1.1
111.00887	6.9
113.02448	20.3
119.03505	21.2
125.02470	4.4
129.01964	5.9
131.03510	16.7
137.02457	1.0
141.01956	1.1
143.03471	4.2
145.05106	1.2
149.04565	1.3
159.03008	12.1
161.04565	26.2
179.05595	22.1
191.05673	1.0
221.06664	36.7
222.06952	1.2
243.52138	0.9
245.06673	1.2
263.07648	2.2
281.08716	3.4
349.67941	1.1
629.35565	10.4
630.36005	1.8
773.40015	2.3
791.40833	3.8
953.45978	100.0
954.46222	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.5947
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03450	1.3
69.23280	1.2
69.23618	7.2
71.01007	1.4
71.01385	22.1
72.99320	1.4
73.02943	4.3
78.56870	0.8
83.01380	3.0
85.02954	5.8
87.00885	5.3
88.98800	1.3
89.02450	21.0
93.03430	0.9
95.01395	1.3
97.02954	4.0
99.00887	1.9
101.02444	20.4
113.02452	9.3
113.03185	1.1
113.09737	7.9
116.92880	1.2
119.03510	5.2
125.02442	9.0
131.03456	1.0
133.05051	1.0
139.11229	0.7
143.03522	3.8
161.04518	3.6
167.10805	0.9
171.10234	1.4
179.05655	3.8
179.10808	1.1
185.04495	1.0
195.13908	1.1
209.11758	1.1
217.07248	1.1
221.06703	1.3
221.15550	1.2
235.08235	9.3
253.09245	2.2
255.23296	57.7
256.23553	3.3
263.07751	0.9
275.20261	0.8
277.21722	1.8
287.07602	3.7
289.18182	0.8
293.21231	42.0
294.21664	3.6
305.08768	3.9
313.37320	0.7
323.09863	1.4
389.52905	0.8
397.13501	100.0
398.13800	5.5
415.14557	29.9
416.15063	1.6
653.37585	6.5
880.50763	0.9
949.58191	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.61
Annotation	Unknow
Peak:m/z	Relative Intensity
71.53130	0.6
71.53828	0.4
76.32957	0.3
78.95903	19.9
83.22779	0.4
111.63741	0.4
117.53091	0.3
122.00115	1.2
140.01196	5.5
152.99600	2.0
196.03783	9.3
214.04749	1.7
255.23270	100.0
256.23605	6.2
277.71921	0.4
452.27798	76.4
453.28122	7.1
507.26871	0.4
708.39038	0.4
935.72168	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.5529
Annotation	Unknow
Peak:m/z	Relative Intensity
69.72216	2.1
69.72619	4.9
71.01388	12.7
73.02928	1.9
83.01383	1.4
85.02943	7.3
87.00851	1.7
89.02417	4.7
97.02951	1.6
99.00842	1.3
101.02431	6.6
101.22125	0.9
113.02448	10.3
119.03461	1.7
124.01653	2.9
125.02428	3.2
143.03470	3.9
161.04529	2.4
179.05597	1.6
194.43677	1.1
233.19073	1.6
251.20154	100.0
252.20531	5.6
279.23251	3.0
287.07361	1.2
449.28760	1.6
467.29294	1.7
492.35330	1.2
531.15936	1.2
575.32367	2.7
593.33179	13.1
594.33478	1.9
611.34235	45.8
612.34790	3.8
629.35358	13.8
630.35986	1.4
653.35327	3.7
654.35181	2.0
671.36499	4.8
673.82446	1.4
845.54639	1.9
863.54932	2.4
949.53613	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	949.6101
Annotation	Unknow
Peak:m/z	Relative Intensity
67.70064	0.3
69.03442	1.1
70.55437	1.1
71.01381	14.4
72.99313	1.9
73.02946	2.6
75.00848	0.6
78.95892	1.1
81.03452	0.7
83.01375	1.6
83.05038	0.4
85.02953	3.2
87.00871	3.6
89.02442	12.9
95.01365	1.4
97.02956	2.7
99.00881	0.9
99.08156	0.4
101.01797	0.6
101.02442	10.9
109.02974	0.5
111.04520	0.4
113.02451	5.7
113.09746	1.7
119.03491	3.9
121.02916	0.4
125.02451	5.4
131.03476	0.5
133.05037	0.4
139.03957	0.6
140.26268	0.3
143.03450	2.2
149.04562	0.3
149.19038	0.3
151.77420	0.3
152.99574	1.7
161.04567	3.0
167.03363	0.4
177.12863	0.5
179.05598	2.7
179.14403	0.8
181.12230	0.5
185.04555	0.5
195.13896	14.8
196.14194	0.5
199.06036	0.3
221.06665	1.0
234.89203	0.3
235.08231	5.8
235.10463	0.6
251.23663	0.4
251.87502	0.3
253.09247	0.8
255.23285	36.6
256.23578	2.1
263.07693	0.8
269.24924	0.4
277.09488	0.4
277.21710	14.5
278.21973	1.0
287.07761	2.1
295.22769	100.0
296.23114	6.9
305.08847	2.9
318.77267	0.4
323.09964	0.9
397.13501	62.0
398.13785	3.9
415.14569	18.9
416.14764	1.3
431.21725	0.5
541.89966	0.4
653.37445	4.8
654.38135	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.5371
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	1.0
71.01385	15.6
72.99310	1.1
73.02943	3.3
75.99767	0.6
82.95405	0.8
83.01370	2.2
83.04972	0.7
84.00914	1.3
84.95103	1.9
85.02945	8.9
86.00096	0.5
87.00880	1.5
89.02441	5.7
95.01409	2.9
97.02929	1.4
99.00875	1.5
101.02449	9.9
110.88466	0.6
111.00890	1.0
113.02452	12.7
114.16730	0.5
119.03503	2.4
124.01672	2.2
125.02459	5.3
130.48366	0.5
142.02730	0.6
143.03548	3.0
159.02953	0.8
161.04547	3.1
167.90048	0.5
179.99852	0.5
185.04524	0.6
205.19547	0.8
228.20804	0.5
231.17555	0.8
249.18587	100.0
250.18933	5.5
251.93201	0.5
277.21713	1.7
394.12381	0.5
449.29150	1.9
467.30087	2.2
557.31372	1.7
575.32404	1.7
593.33307	14.5
594.33960	2.1
611.34326	53.0
612.34528	8.4
627.33337	0.7
629.35333	15.6
630.35254	2.6
653.35388	4.2
654.35968	0.7
671.36798	5.2
716.17444	0.6
773.45361	0.6
843.53375	1.0
861.52655	2.7
862.55298	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.5366
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01395	16.4
73.02940	4.1
83.01393	1.4
85.02961	8.9
85.06554	1.4
87.00883	2.6
89.02450	6.6
91.97002	1.5
95.01377	3.3
98.20628	5.7
99.00871	2.6
101.02451	8.7
105.22809	1.4
113.02451	13.6
119.03445	2.2
123.61572	1.6
125.02460	3.9
137.32986	1.4
143.03520	4.3
161.04547	2.5
205.19484	2.1
229.27817	1.6
249.18585	100.0
250.18869	5.8
277.21606	2.5
301.73999	1.5
329.38519	1.6
365.28818	1.8
449.28781	2.5
467.29825	2.2
504.74432	1.5
548.46417	1.6
554.61792	1.5
575.32111	2.6
593.33459	11.5
594.33630	2.2
611.34326	51.9
612.34918	5.4
629.35553	12.2
630.36365	2.3
631.61371	1.6
638.58868	2.2
653.35693	3.0
671.36591	5.2
673.84399	1.6
694.49670	1.6
876.57397	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	947.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03468	0.7
70.09951	1.7
71.01385	17.2
71.01781	0.9
72.99303	0.7
73.02928	2.9
74.99586	0.4
83.01396	3.2
83.05013	0.6
85.02953	9.0
87.00867	1.4
89.02447	4.7
95.01373	2.4
97.02924	1.7
98.19939	0.5
99.00896	1.8
100.37487	0.3
101.01797	0.5
101.02448	8.8
111.00816	0.9
112.01651	0.8
113.02456	13.6
115.04032	0.5
119.03467	2.3
124.01683	3.1
125.02454	5.5
128.45564	0.4
129.01987	0.5
143.03490	4.0
159.03020	0.6
161.04536	2.7
166.05698	0.4
179.05582	0.7
205.19606	0.8
231.17523	0.6
247.17154	0.5
249.18585	100.0
250.18942	6.4
262.05679	0.4
263.20145	0.5
277.21701	3.8
383.91074	0.4
387.40967	0.4
449.29291	1.9
450.29483	0.5
467.30014	1.6
519.29449	0.5
557.31348	1.2
575.32190	1.9
593.33295	14.5
594.33386	2.1
609.32825	0.9
611.34351	54.3
612.34668	8.4
616.68585	0.5
627.34021	2.4
629.35431	13.8
630.35663	2.4
645.34363	0.6
653.35529	4.4
654.36035	0.7
671.36426	5.7
672.36646	0.9
825.86932	0.5
843.52625	0.9
861.54169	2.7
865.82788	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.5368
Annotation	Unknow
Peak:m/z	Relative Intensity
70.28107	3.2
71.01382	16.6
72.99288	1.2
73.02941	2.6
75.00952	0.9
83.01378	2.0
83.05013	1.3
84.95100	2.5
85.02953	8.8
87.00852	1.2
89.02451	6.2
95.01396	3.2
97.02943	1.5
99.00902	1.7
101.02433	8.6
113.02453	12.0
119.03507	1.3
124.01640	3.0
125.02410	3.8
126.22591	0.8
138.07449	0.9
143.03499	3.6
161.04538	3.6
166.68179	0.9
207.48494	0.8
249.18585	100.0
250.18948	6.6
277.21652	1.1
449.28558	1.2
467.30206	1.5
557.31317	1.7
575.32147	1.2
581.24200	1.0
593.33228	12.6
594.33734	1.6
611.34363	52.2
612.34644	8.7
629.35382	14.2
630.35522	2.2
653.35120	4.7
671.36414	4.7
861.54022	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	947.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	4.4
71.01382	57.1
72.99311	6.5
73.02950	17.1
75.00868	1.7
81.03454	2.1
83.01404	7.8
85.02951	42.4
86.00131	2.0
87.00871	13.9
89.02438	22.3
95.01387	5.3
95.77863	1.4
97.02926	8.1
98.20268	8.5
99.00884	8.3
99.04575	1.5
101.02440	34.8
102.94179	1.4
103.04004	3.2
109.02911	1.9
111.00879	3.1
113.02439	32.9
115.04021	2.9
119.03479	6.8
123.00887	1.9
124.01671	19.1
125.02436	13.7
127.04005	4.7
129.01979	3.1
141.01944	1.4
143.03497	11.1
145.05055	1.7
159.03001	1.9
161.04568	7.3
162.06644	1.6
229.20825	1.9
337.72995	1.8
357.52209	1.7
449.29489	2.9
467.29883	4.2
537.30664	1.6
575.32349	4.6
593.33496	6.7
595.34625	2.1
611.34277	30.5
612.34766	4.6
629.35382	17.7
630.36450	2.0
653.35510	3.1
671.36401	6.5
721.38190	2.3
739.26654	2.3
739.39081	29.3
740.39435	5.6
757.40118	100.0
758.40356	17.5
775.27820	2.8
775.41205	36.5
776.41650	5.8
799.41241	27.3
800.41833	5.0
817.42236	35.0
818.42627	10.3
859.43585	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	946.4659
Annotation	Unknow
Peak:m/z	Relative Intensity
70.14591	36.6
80.96531	66.0
101.02448	29.3
116.92838	46.6
209.11887	75.5
277.21686	100.0
278.21884	34.3
380.70129	32.5
465.59161	35.8
886.47986	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.413
Annotation	Unknow
Peak:m/z	Relative Intensity
66.27275	4.7
66.67097	4.4
68.19009	5.3
69.03443	9.5
71.01385	79.1
72.99311	7.8
73.02950	21.4
83.01396	14.0
85.02944	43.2
87.00882	14.1
89.02451	38.4
95.01376	11.4
97.02972	9.3
99.00909	9.0
101.02450	38.9
103.04002	6.2
105.63512	6.6
113.02447	47.4
114.25887	5.0
119.03526	7.4
124.01680	24.2
125.02415	15.8
127.28036	5.0
129.39752	5.5
138.85973	5.7
143.03517	12.6
161.04567	12.6
205.54845	5.2
209.45708	4.8
229.30679	6.6
300.06989	5.9
449.28860	5.4
521.05872	5.6
593.33362	9.4
611.34259	26.1
612.34344	9.8
629.35498	16.7
671.36163	10.8
739.38892	24.3
740.39075	8.2
757.40350	100.0
758.40369	18.6
775.41095	48.5
776.41833	6.4
799.41370	30.5
800.40881	10.1
817.42310	50.4
818.42975	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	946.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
67.61527	0.4
68.63570	0.5
69.03459	1.2
70.00134	1.3
70.00526	0.9
71.01382	32.2
72.99292	2.4
73.02947	11.3
75.00855	0.8
81.03426	0.7
83.01397	4.5
85.02948	12.9
86.00117	0.7
87.00877	3.8
87.06018	0.6
89.02444	12.3
95.01381	3.1
97.02992	2.7
97.03509	0.5
99.00877	3.2
101.02442	30.2
108.04546	1.4
113.02443	12.2
115.03991	1.0
119.03496	4.4
125.02412	1.8
129.01910	0.9
131.03516	2.9
136.07681	2.2
143.03473	3.5
159.02904	1.1
161.04547	12.4
179.05591	5.5
214.47928	0.6
221.06641	6.3
227.12830	0.7
257.12982	8.6
263.07724	2.2
283.15549	0.8
299.18756	1.2
301.11859	4.3
301.16696	2.9
301.21423	0.5
303.23309	7.3
319.22705	2.3
320.13535	1.9
326.96786	0.5
341.10666	0.6
382.76108	0.5
394.66989	0.5
463.26990	22.7
463.33521	1.2
464.27539	2.7
481.28049	100.0
482.18747	9.3
482.28339	10.3
483.19406	0.9
523.29175	5.3
524.29480	1.0
565.30487	0.9
607.31006	1.9
625.32190	5.0
645.34930	3.0
646.35364	0.8
712.17023	0.6
727.35870	0.8
946.46130	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	943.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	1.9
70.00359	6.6
71.01375	15.9
73.02933	3.9
78.95872	1.6
85.02938	3.7
87.00867	5.4
89.02431	7.9
92.40956	1.5
96.66071	1.6
97.02950	12.5
99.00883	19.8
101.02425	9.4
109.06568	3.2
113.02470	3.5
116.92838	4.2
125.02463	9.5
125.09692	5.5
132.87909	1.5
142.02682	1.8
152.99577	2.3
161.04555	2.7
163.11313	9.8
181.12363	22.4
199.13420	2.6
207.10246	51.5
221.06580	2.3
225.11313	81.0
226.11591	4.0
235.08240	2.8
243.12386	27.7
277.21716	47.0
277.24768	2.5
278.22034	4.6
279.23303	3.1
280.23410	2.4
281.23999	3.0
317.15991	2.2
379.12238	2.0
397.13391	7.1
605.24329	25.7
606.25159	3.5
623.25568	25.7
624.25439	3.0
883.46906	100.0
884.47217	20.9
885.45038	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	943.5551
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	11.7
73.02927	3.3
78.91898	10.8
85.02929	5.6
89.02467	5.4
98.19846	3.1
101.02444	6.8
104.79308	2.0
110.07543	1.7
113.02449	7.8
119.03461	2.6
125.02418	2.3
131.60904	1.8
161.04541	3.1
205.87949	1.8
277.21713	33.0
428.84744	2.0
467.30118	3.1
485.31146	6.8
629.35358	100.0
630.35864	18.7
639.71979	2.1
647.36334	39.1
648.36682	6.6
722.89630	1.9
907.57312	15.8
908.57782	5.6
943.55481	22.9
944.55780	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	945.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03464	2.6
71.01383	27.1
71.02399	1.1
71.02752	0.7
72.99310	2.9
73.02953	1.3
83.01379	2.2
85.02959	6.9
87.00864	1.6
87.04489	0.5
89.02447	25.4
89.83074	0.5
95.01388	2.7
95.05081	0.6
97.06586	6.3
99.00906	0.6
99.08173	1.9
100.73897	0.5
101.01801	0.8
101.02448	15.3
109.06555	0.6
111.08131	0.9
113.01716	0.8
113.02450	9.5
119.03493	11.1
119.08661	2.7
125.06081	4.1
125.09693	0.7
127.07687	0.6
129.01970	0.7
129.73305	0.5
131.03491	1.3
137.06061	1.5
137.09729	9.9
143.03516	3.3
143.07141	46.3
144.07462	1.1
149.04539	1.0
155.07147	1.4
161.04634	2.9
173.08189	5.6
179.05592	7.5
263.16449	0.7
281.17599	2.3
299.18634	33.3
300.18982	2.9
407.14255	0.5
433.13837	0.5
463.26724	0.6
465.28455	1.8
483.29816	2.5
616.29010	0.6
645.34900	100.0
646.35248	15.1
969.87726	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5396
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99573	1.4
71.01378	13.8
73.02953	3.3
80.96536	1.8
82.96230	1.3
82.98738	1.6
83.01414	1.4
85.02953	4.9
89.02457	8.0
95.01372	1.4
99.92593	3.6
101.02442	7.7
112.97509	1.3
112.98575	1.9
113.02452	10.2
116.92859	24.9
117.01976	2.1
119.03513	2.3
119.05112	1.3
121.51569	1.4
143.03542	2.5
148.69066	1.6
161.04570	4.0
230.06120	2.1
277.21722	32.0
278.22073	2.9
305.17371	2.0
386.65860	1.6
483.29593	2.6
627.33844	100.0
628.34296	12.3
629.35126	1.5
645.34900	42.9
646.35089	5.7
905.56305	16.2
906.56055	4.0
941.54285	19.0
942.53870	5.8
948.00549	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	941.538
Annotation	Unknow
Peak:m/z	Relative Intensity
69.93562	17.1
71.01382	17.1
73.61235	3.0
79.06923	3.4
79.58737	4.3
85.02961	7.9
87.00859	3.3
89.02448	13.7
92.39131	3.5
101.02433	11.4
113.02424	9.2
114.50349	3.0
116.92829	8.0
119.03495	5.1
161.04482	5.0
202.35289	3.4
216.67235	4.4
265.44781	3.4
277.21643	38.6
293.21133	3.7
397.13370	3.7
483.28885	3.4
627.33801	100.0
628.34387	17.0
645.34869	42.2
646.34320	6.6
890.01508	4.1
905.56354	11.1
906.57599	4.5
941.53058	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	941.4756
Annotation	Unknow
Peak:m/z	Relative Intensity
65.34527	1.0
69.03461	1.2
69.46124	3.7
69.46543	3.4
71.01373	11.5
71.05030	3.2
73.02948	1.6
79.37817	0.9
83.05035	1.3
85.02951	4.2
89.02467	2.3
95.05032	1.7
96.96030	5.5
97.02968	3.9
97.06571	5.0
99.00877	17.6
100.39297	1.0
101.02442	4.1
107.07264	1.1
109.06612	1.2
110.83665	1.0
113.02458	2.8
123.08140	2.4
125.09724	9.3
128.07199	1.0
142.02745	1.8
153.12830	1.3
163.11293	13.4
171.10268	1.2
181.12315	13.9
197.11845	1.5
199.13374	10.1
207.10269	25.8
225.11313	29.5
243.12341	15.5
267.12393	1.1
484.69830	1.1
521.40765	1.2
611.34174	2.3
629.35559	2.4
677.42761	5.9
807.83142	1.1
837.44928	1.3
855.47461	2.2
897.48462	100.0
898.48926	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	941.5123
Annotation	Unknow
Peak:m/z	Relative Intensity
67.20221	0.2
69.36345	0.2
71.01379	7.5
71.54041	0.3
88.65154	0.2
91.39735	0.2
95.05022	0.2
99.00888	0.3
101.02478	0.3
127.07666	1.0
148.05315	0.7
151.07646	0.8
155.24168	0.2
160.70528	0.2
163.11244	0.2
164.08395	0.9
177.09206	4.0
178.09572	0.2
181.12297	0.4
187.91786	0.2
192.11548	7.2
193.12199	0.6
205.12334	3.2
206.09441	0.3
206.12617	0.3
207.10278	0.5
207.13902	1.9
217.08717	0.4
218.09402	2.4
220.14679	39.6
221.15450	100.0
222.15799	5.5
225.11250	0.4
235.13354	1.6
236.10524	83.6
237.10915	5.4
244.69022	0.2
249.18584	0.3
264.52399	0.2
293.17584	54.1
294.17899	3.8
397.13336	0.5
629.35461	0.3
713.66534	0.2
723.51141	0.2
897.49146	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	940.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	27.0
85.02953	5.1
89.02437	4.6
95.01376	18.9
98.19936	18.8
98.20647	13.9
101.02440	17.2
113.02434	20.2
119.03456	6.6
121.02948	11.8
125.02444	7.7
127.00346	17.3
137.14977	3.8
139.00352	18.8
146.20129	3.9
165.01892	8.9
169.01414	5.2
229.03595	4.9
247.04597	6.6
611.34399	29.4
612.34448	5.4
629.35443	64.0
630.35681	10.3
671.36371	29.2
685.21436	4.4
697.34302	21.6
698.34253	6.8
708.89569	4.0
739.35455	100.0
740.35767	13.7
769.36353	28.1
781.36200	7.7
867.18018	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	940.5275
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	9.1
71.54591	5.3
75.98424	4.4
78.95888	12.4
80.96518	9.3
89.70001	4.8
116.92822	8.7
138.47496	6.2
152.99557	11.6
170.71599	5.8
277.21735	100.0
278.22046	6.8
279.23288	37.0
397.14026	6.6
445.23752	36.1
446.23792	6.4
507.27246	33.8
765.39874	5.7
839.19421	6.4
940.50897	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	941.4743
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01374	12.8
71.05019	0.9
75.20088	0.8
83.01360	1.1
85.02934	2.1
88.98804	1.4
89.02422	1.8
96.96029	1.4
97.02943	2.7
99.00893	7.9
101.02422	3.5
108.70190	1.0
109.06573	1.7
116.92838	1.1
123.08187	1.5
125.09708	3.0
137.09843	1.2
139.07652	1.1
163.11230	5.6
171.10265	1.7
177.09167	4.8
179.24121	0.9
181.12334	7.4
192.11562	8.9
199.13367	4.1
205.12260	4.1
207.10234	12.5
207.13965	2.3
218.09470	3.2
220.14668	47.9
221.15446	100.0
222.15800	4.8
225.11288	11.1
229.22459	1.2
235.13341	1.8
236.10519	86.1
237.10828	3.6
243.12358	7.1
245.06372	1.3
253.14444	1.0
293.17572	49.8
294.17834	3.3
327.21762	2.9
367.72833	1.0
501.18076	1.1
629.35297	2.8
631.36554	1.1
637.27045	1.2
677.42590	1.6
837.46466	2.6
855.46985	2.0
897.48523	37.4
898.49054	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	938.5483
Annotation	Unknow
Peak:m/z	Relative Intensity
71.53826	87.9
73.79478	78.1
108.33864	70.1
135.32375	73.6
148.26744	78.9
167.25101	74.2
192.90047	77.4
219.45303	88.8
226.10048	80.0
242.73085	78.2
275.73856	96.5
903.03107	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.5243
Annotation	Unknow
Peak:m/z	Relative Intensity
65.25117	0.8
66.98660	0.9
70.76530	2.0
70.76905	1.9
71.01398	4.7
73.02962	1.2
75.00874	2.8
85.02959	3.0
86.53359	0.9
89.02437	1.2
101.02424	3.5
113.02480	2.8
277.21701	11.8
278.22174	1.7
283.90363	0.9
303.23294	3.3
311.21664	1.0
379.53918	1.1
481.27841	2.0
716.40533	1.1
741.49481	100.0
742.49701	21.2
864.39282	1.3
939.52441	2.0
959.52393	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	939.6417
Annotation	Unknow
Peak:m/z	Relative Intensity
69.69502	2.9
83.05009	0.8
89.02468	0.5
96.49472	0.6
98.20567	1.3
180.52191	0.6
188.05621	0.7
225.16054	0.8
303.61884	0.6
305.33066	0.6
445.01093	0.7
451.33109	1.1
903.66614	2.8
939.64148	100.0
940.64441	21.4
940.83649	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.4647
Annotation	Attenoside
Peak:m/z	Relative Intensity
69.03450	1.9
71.01381	50.6
72.01721	0.9
72.99301	5.3
73.02944	14.6
74.33413	0.7
79.67558	0.7
83.01388	9.7
85.02951	23.7
85.11675	0.9
87.00880	8.5
87.04522	1.7
89.02440	27.1
95.01402	4.1
97.02944	5.5
99.00896	3.9
101.02438	33.6
103.04008	3.2
111.00886	1.9
113.02448	14.6
115.03989	2.7
119.03508	8.1
124.01643	1.8
125.02464	9.9
129.01921	1.5
131.03487	3.6
143.03508	5.5
145.05048	1.0
159.02962	1.9
161.04532	2.5
163.06113	3.3
179.05605	1.2
186.40323	0.8
190.53426	0.8
205.07155	2.7
252.50908	0.9
275.09952	0.8
467.30215	1.7
584.22986	0.8
611.34332	1.1
613.36127	1.7
629.35291	3.0
757.39911	4.0
763.28113	1.0
775.41223	30.6
776.41382	5.7
791.40527	3.8
937.46478	100.0
938.46808	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
65.53146	0.5
69.03445	2.3
71.01378	51.8
72.01704	0.9
72.99311	3.6
73.02947	18.3
75.00868	1.9
81.03448	1.2
83.01384	9.0
85.02946	20.9
85.25800	0.7
86.00097	1.9
86.03260	0.7
87.00877	7.7
87.04515	2.1
87.16532	0.7
89.02441	18.5
95.01384	4.5
97.02950	4.3
98.19826	0.9
99.00895	5.0
101.02444	30.7
103.03989	2.9
111.00894	1.6
113.02444	14.6
115.03986	3.3
119.03508	7.8
124.01707	1.0
125.02438	5.5
129.01949	1.4
131.03496	5.6
141.01923	1.3
143.03490	6.0
145.05037	0.9
159.02989	1.6
160.48718	0.6
161.04506	4.9
163.06123	1.6
179.05571	2.4
205.07089	3.5
221.06667	1.4
250.44096	0.7
467.30042	1.3
468.30548	0.7
553.13544	0.8
607.46979	0.8
613.36096	2.0
629.35242	2.9
635.87305	0.8
731.48993	0.7
757.40393	1.6
775.41168	16.6
776.41504	2.2
778.21704	0.8
791.40802	7.5
937.46490	100.0
938.46722	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	935.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	53.8
71.53242	1.5
72.99295	3.8
73.02947	14.6
75.00861	2.7
83.01387	11.2
85.02956	23.4
87.00862	4.3
89.02445	16.7
94.47475	1.2
95.01409	6.5
97.02931	2.5
99.00901	6.9
101.01791	2.5
101.02442	41.3
111.00881	6.0
113.02451	23.6
117.01909	2.5
119.03498	6.7
124.01655	1.8
125.02457	2.6
129.01924	1.7
143.03508	3.0
159.02975	3.6
161.04541	12.9
171.06548	1.7
237.09808	16.5
259.01666	1.4
292.80701	1.3
303.23123	3.4
305.08780	21.2
306.08905	1.7
413.74380	1.4
467.30029	3.6
593.33105	4.6
609.32587	3.8
611.34290	7.6
627.33856	73.0
628.34192	10.2
629.35364	100.0
630.35712	15.0
697.34351	68.7
697.46655	2.2
698.34808	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	933.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00336	1.1
71.52018	1.1
82.30114	0.6
88.15504	0.6
89.02449	0.7
93.03452	1.4
101.02416	0.9
107.01366	1.9
112.22761	0.7
146.82088	0.6
151.00368	4.4
156.12245	0.6
159.04489	0.7
163.00328	0.6
178.99846	1.6
183.04475	1.3
187.03909	0.8
211.04063	1.1
213.05556	0.7
227.03479	19.6
228.04041	1.1
229.05055	2.5
239.03479	1.2
241.05087	0.7
246.47058	0.8
255.02971	44.0
256.03513	5.0
257.04504	2.6
283.02454	20.5
284.03250	55.4
285.04004	43.0
286.04489	3.0
302.11243	0.7
323.13486	3.8
429.08475	0.8
586.16211	0.6
609.14569	100.0
610.15063	11.1
724.79010	0.7
771.19879	4.5
772.19897	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00320	0.6
70.28388	0.5
70.28745	0.7
83.01372	0.6
93.03474	1.1
95.01404	0.3
107.01390	1.9
109.02953	0.4
117.03463	0.9
123.04541	0.3
132.02245	0.4
135.00877	0.7
143.04965	0.3
151.00368	4.7
152.01152	0.5
159.04564	0.7
163.00359	1.0
164.01245	0.4
165.01895	0.3
167.05135	0.4
169.01532	0.4
171.04527	0.8
173.02403	0.3
178.99855	1.3
182.03729	0.4
183.04442	2.2
185.02415	0.4
185.06065	1.0
187.03989	0.9
196.05394	0.4
199.04042	0.6
211.03915	2.2
213.05544	1.0
227.03487	23.4
228.03821	1.8
229.05008	3.5
239.03481	0.7
240.04149	0.4
241.05112	0.7
255.02974	54.3
256.03540	5.6
257.04550	3.7
281.04474	0.6
282.97955	0.4
283.02475	30.8
284.03238	61.3
285.04007	54.0
286.04358	3.6
297.03964	0.5
313.03598	0.4
326.04468	0.3
327.05087	1.1
351.05447	0.4
429.07983	0.9
446.08496	0.4
608.13959	1.0
609.14569	100.0
610.14899	12.4
651.15448	0.5
771.20294	4.2
772.20068	0.6
933.25275	2.7
934.25842	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
64.99997	0.5
65.00317	1.5
68.38306	0.5
70.12113	1.0
70.12506	1.3
72.70098	0.5
83.01398	1.3
88.04588	0.5
92.02650	0.6
93.03458	1.1
98.20554	0.7
107.01408	3.4
117.03502	0.9
135.00838	1.1
145.80887	0.6
151.00346	8.6
152.01053	0.6
154.04324	0.6
159.04480	0.8
163.00383	1.5
169.01387	0.6
169.06616	1.0
178.99886	1.3
183.04478	2.1
185.06026	1.7
187.03944	1.4
199.03999	1.2
211.03969	2.4
213.05481	1.3
215.03499	0.9
227.03488	20.1
228.03937	1.5
229.05022	5.3
239.03453	1.6
241.05034	1.3
255.02971	62.8
255.86024	0.6
256.03452	6.1
257.04584	4.8
271.02539	0.7
283.02460	60.5
284.03226	66.4
285.04007	73.5
286.04437	5.4
299.01987	0.9
327.05032	1.4
339.05029	0.7
429.08295	1.5
446.08344	5.0
447.08871	1.9
576.19983	0.6
609.14642	7.7
610.15118	1.5
648.48535	0.7
771.19867	100.0
772.20068	16.1
933.25476	1.1
966.25165	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.579
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03482	0.6
71.01385	15.1
72.01691	0.6
72.99281	1.4
73.02935	2.3
83.01385	1.6
85.02946	7.9
87.00860	1.5
89.02446	4.4
95.01396	2.2
97.02956	0.7
99.00896	0.9
101.02441	5.7
111.00893	0.8
112.01657	0.5
113.02453	11.8
118.44112	0.5
119.03453	1.3
124.01664	2.2
125.02445	4.5
129.65924	0.5
143.03491	3.4
159.02953	0.6
161.04529	2.3
162.89496	0.5
205.42487	0.5
218.68060	0.5
229.28926	0.7
234.28732	0.5
277.21707	100.0
278.22052	7.2
286.34488	0.5
375.51501	0.6
424.45642	0.6
449.29169	1.8
467.30261	2.8
557.30756	0.9
575.32172	1.1
593.33270	10.9
594.33954	1.7
611.34320	44.7
612.34711	8.0
629.35370	14.0
630.35773	2.7
653.35608	1.8
671.36560	2.8
672.37158	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.5791
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99798	0.2
69.03447	0.9
71.01379	14.9
72.85283	0.2
72.99308	0.7
73.02943	2.8
83.01381	1.6
85.02950	7.2
86.00084	0.5
87.00868	1.3
89.02441	4.2
95.01378	2.1
95.90485	0.2
97.02935	1.6
99.00873	1.9
101.01795	0.4
101.02441	7.5
101.03105	0.4
111.00888	0.8
112.01629	0.4
113.02446	12.8
113.16275	0.2
115.03996	0.4
119.03510	1.6
124.01646	2.5
124.72383	0.3
125.02448	3.7
131.03476	0.3
142.02719	0.5
143.03482	3.1
149.04575	0.2
159.03017	0.5
161.04535	2.5
178.10835	0.2
179.05653	0.4
202.68663	0.2
233.22711	0.4
259.20706	0.3
275.20151	0.4
277.21701	100.0
278.22040	8.2
278.38019	0.3
296.08063	0.2
397.27884	0.2
449.28995	1.9
450.29489	0.3
467.29980	1.8
468.30997	0.5
491.30023	0.3
529.31787	0.3
547.32153	0.3
557.30951	1.3
563.32013	0.4
575.32208	1.7
576.32361	0.3
593.33344	10.5
594.33813	2.1
611.34314	45.3
612.34619	7.5
629.35406	12.6
630.35828	2.2
653.35492	2.6
654.35138	0.4
671.36609	3.0
672.36401	0.5
672.74713	0.3
857.02826	0.3
889.57019	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	931.579
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01881	0.2
68.99812	0.3
69.03454	0.7
71.01382	15.1
72.99313	0.9
73.02943	2.6
75.00871	0.2
83.01385	2.2
83.05020	0.4
85.02948	7.7
86.00122	0.3
87.00883	1.7
89.02443	4.1
95.01387	2.3
97.02944	1.3
99.00877	1.8
99.04567	0.2
100.38436	0.2
101.02443	6.8
101.03107	0.4
102.02827	0.2
111.00885	0.8
112.01640	0.5
113.02452	12.4
115.04011	0.5
119.03524	1.4
124.00836	0.3
124.01649	2.4
125.02456	3.6
127.07624	0.3
127.57732	0.1
129.01949	0.4
131.03497	0.3
142.02657	0.4
143.03510	3.1
159.02974	0.5
161.04559	2.6
179.05582	0.6
199.38612	0.2
204.84335	0.2
233.22614	0.3
259.20578	0.4
275.20047	0.5
277.21707	100.0
278.22055	7.6
374.07462	0.2
397.27420	0.2
449.29129	2.2
450.29797	0.3
467.30167	1.9
468.30490	0.3
519.29614	0.3
537.30658	0.2
545.31134	0.4
547.32941	0.3
557.31207	1.1
563.31995	0.2
575.32147	1.8
576.31989	0.2
593.33319	9.7
594.33685	1.5
611.34320	43.5
612.34650	6.5
629.35419	12.3
630.35834	1.9
642.75043	0.2
653.35431	2.0
654.35980	0.4
671.36566	3.0
672.37201	0.5
708.82654	0.2
767.94257	0.2
871.55103	0.3
889.57159	0.9
944.74298	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.5629
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03415	0.3
71.01382	9.6
72.99309	0.5
73.02948	3.2
75.00872	0.3
82.48871	0.3
83.01379	1.9
85.02953	5.3
86.00101	0.4
87.00864	0.4
87.79645	0.3
89.02436	3.4
95.01376	1.6
99.00885	1.5
101.02437	7.1
113.02436	4.6
119.03487	1.1
125.02448	0.3
129.01927	0.7
141.12909	0.4
143.03572	0.4
154.99847	0.3
161.04544	0.7
174.39256	0.3
179.05611	0.5
209.37180	0.3
287.22284	10.1
288.22574	0.8
293.90695	0.3
301.21738	0.6
303.23291	7.3
303.26569	0.6
304.23666	0.5
319.22791	1.5
463.26849	1.2
481.28030	100.0
482.28400	11.7
482.35403	0.7
715.29352	0.3
960.08527	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	928.5641
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39410	35.4
69.39819	100.0
74.71481	16.2
79.60113	15.1
98.20641	32.0
104.55986	16.3
117.94884	15.3
120.94097	17.6
186.22963	15.9
190.24086	17.5
194.27757	14.9
293.95081	15.4
355.60660	17.6
407.97632	18.5
423.61401	17.7
611.34277	24.1
612.33905	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	930.5793
Annotation	Unknow
Peak:m/z	Relative Intensity
65.92665	52.4
70.84570	100.0
133.78871	49.6
148.98997	55.7
170.68279	54.9
732.63519	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.5793
Annotation	Unknow
Peak:m/z	Relative Intensity
67.21259	19.6
69.11185	19.5
69.85511	38.5
69.85862	100.0
81.25630	22.3
88.69840	19.0
98.19881	27.1
102.25539	18.4
118.06932	16.8
141.01630	17.1
146.84073	19.2
188.81766	20.0
220.17151	19.5
272.97293	22.2
407.71039	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	931.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
71.02506	2.7
72.00911	1.4
73.04064	4.8
74.02471	6.1
74.14412	0.9
81.55265	1.0
82.02987	2.8
83.02509	2.8
84.00913	2.1
85.04070	2.4
87.05646	4.0
95.02461	1.2
97.00414	1.0
97.04066	2.0
99.02005	26.6
99.05685	1.0
104.95964	1.0
111.01994	3.5
112.05221	1.5
113.03562	9.3
115.05105	1.1
115.08765	4.5
116.05056	11.8
124.04033	1.2
125.03551	4.0
125.07211	5.0
127.05147	7.7
127.08768	1.3
127.95078	1.1
128.03546	0.9
128.04608	1.1
130.06187	5.4
131.04596	4.7
135.05661	1.2
136.04024	2.3
137.07193	3.4
138.05612	1.3
139.08730	1.1
140.07210	1.0
141.06706	6.1
142.06595	4.5
144.07738	2.1
149.07164	1.1
151.05167	2.5
153.06702	17.4
155.08240	3.9
157.07698	8.0
159.09247	2.0
163.08772	1.1
165.06636	1.5
165.72046	1.1
166.09839	1.4
167.04546	1.9
167.08255	3.8
170.09361	11.8
172.10907	4.1
179.04610	6.7
182.05579	1.7
183.05525	2.2
184.10881	1.7
188.06667	1.3
192.07689	2.0
193.06213	1.4
198.08817	3.3
203.08238	13.7
206.09319	2.1
207.07700	2.3
210.08771	1.6
211.11949	2.3
214.09901	1.2
216.11383	3.6
227.11464	1.7
228.11440	4.1
230.11327	1.3
242.09134	2.1
260.10364	5.9
263.11490	3.0
272.10202	1.9
273.13538	2.3
281.12643	4.9
285.13531	1.2
312.54037	1.1
317.12491	2.3
325.11420	1.1
342.13858	1.1
372.20209	1.7
382.18817	1.6
393.15808	1.4
408.02048	1.1
410.18237	5.4
414.17776	1.2
442.17670	1.3
454.17377	2.2
471.19867	6.2
484.17920	1.9
501.21085	2.9
502.21750	1.1
687.29022	2.9
865.36932	4.7
866.36938	1.6
877.36163	2.0
895.37439	100.0
896.37769	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.5609
Annotation	Unknow
Peak:m/z	Relative Intensity
70.65165	4.2
71.01366	10.9
85.02937	3.1
89.02444	4.1
101.02435	6.8
113.02452	6.7
119.03456	2.1
119.21468	1.7
125.02450	2.6
161.04510	2.3
168.15842	1.8
207.40865	1.7
279.23291	47.6
280.23523	3.6
467.30182	2.4
478.52985	1.8
610.13306	2.1
611.34338	100.0
612.34534	15.1
629.35388	46.6
630.35498	5.8
637.28217	1.9
638.64093	1.9
868.99078	2.2
891.58228	19.0
892.58636	4.2
927.55243	13.7
928.56293	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	926.5483
Annotation	Unknow
Peak:m/z	Relative Intensity
64.95486	52.2
98.20764	97.9
153.53616	57.2
212.43222	47.4
229.47211	55.4
481.40546	57.3
484.16888	56.0
611.34540	100.0
642.45770	51.7
704.58594	63.1
772.62708	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.5606
Annotation	Unknow
Peak:m/z	Relative Intensity
70.26442	5.5
71.01383	9.4
71.28497	1.5
78.04322	1.8
78.47073	1.6
85.03003	2.8
89.02428	3.2
89.69043	1.4
95.01389	2.0
101.02436	4.4
106.71148	1.6
113.02444	5.9
119.03528	1.5
143.03537	1.6
161.04530	3.8
207.43633	1.4
235.11029	1.7
279.23270	48.4
280.23557	2.6
467.29810	3.5
502.80859	1.9
585.66370	1.6
611.34320	100.0
612.34521	15.0
629.35406	45.0
630.35748	6.0
891.57947	15.5
892.57367	3.3
911.49384	1.9
927.56079	18.0
928.56598	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	923.5741
Annotation	Unknow
Peak:m/z	Relative Intensity
70.75352	2.6
71.01390	17.5
73.02955	1.9
78.95893	3.0
80.96516	1.8
83.01328	1.3
83.05010	1.9
85.02962	12.4
88.42950	1.2
89.02449	7.0
97.02955	1.6
99.00912	2.0
101.01886	1.5
101.02449	8.2
101.03022	1.6
113.02423	6.0
119.03485	1.5
121.02953	1.7
124.88513	1.2
125.09753	2.0
129.09213	3.1
139.11273	2.4
152.99600	2.4
166.70059	1.3
169.12265	2.3
171.10283	6.7
181.12445	1.6
185.11797	1.5
197.11859	2.7
199.13417	4.0
209.11792	2.3
211.13387	7.0
223.86600	1.8
275.20087	1.8
285.08334	1.6
293.21204	17.9
293.33090	1.4
295.22836	3.9
309.20715	3.1
311.22272	100.0
312.22592	8.1
320.26804	1.6
467.29990	1.7
611.34247	14.7
612.34625	3.2
629.35376	37.2
630.35938	6.0
745.52637	3.0
845.87640	1.6
923.57648	51.9
924.57794	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	924.5323
Annotation	Unknow
Peak:m/z	Relative Intensity
67.57045	15.5
69.49055	100.0
142.31352	19.7
297.74905	16.1
301.11328	18.0
315.07486	16.6
354.31253	17.4
496.17938	20.0
770.63220	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	924.5321
Annotation	Unknow
Peak:m/z	Relative Intensity
66.81274	28.1
70.12941	100.0
71.60786	23.1
73.95088	23.5
118.25322	28.0
137.85155	22.0
388.24863	26.2
848.89783	28.3
884.73621	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	925.5447
Annotation	Unknow
Peak:m/z	Relative Intensity
66.61680	2.1
71.01388	11.0
71.30379	4.1
73.02978	1.9
83.01366	2.3
85.02951	4.2
89.02450	3.7
98.07120	1.8
101.02455	6.5
113.02486	9.5
114.88938	2.0
136.60425	1.8
138.68700	1.8
143.03444	2.4
161.04562	2.3
235.93996	2.0
277.21680	49.3
278.21982	3.2
327.71912	2.2
449.29053	2.7
467.30405	3.1
611.34357	100.0
612.34460	16.9
629.35437	48.1
630.35699	8.2
643.12354	2.1
889.56848	12.1
890.57184	3.2
909.50079	2.3
925.54431	14.7
926.55237	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	923.464
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	2.0
71.01382	8.8
71.28812	2.3
81.03465	4.4
85.02947	4.2
89.02452	2.5
93.03458	3.6
95.05027	11.0
96.95974	2.3
97.02947	33.5
97.06573	5.6
98.20229	2.0
101.02430	2.6
107.04987	1.8
109.06580	1.5
111.08155	2.0
113.02435	2.1
121.06603	1.4
123.08154	5.3
125.09735	3.0
125.99764	1.3
135.08139	1.6
139.23282	1.3
149.09749	1.8
161.09631	1.6
163.11267	7.1
170.00629	1.5
179.14421	4.2
187.11243	5.7
205.12326	31.9
212.83488	1.3
223.13390	82.0
223.95601	1.4
224.13667	5.4
249.11316	12.8
267.12354	69.4
268.12677	4.0
293.10336	4.9
371.12985	1.3
408.42572	1.3
629.35352	9.1
861.49054	1.4
864.42120	1.4
879.47510	100.0
880.47760	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	921.628
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03476	0.3
71.01375	2.5
71.05013	1.0
71.54720	0.2
73.02975	0.2
81.03468	0.2
83.05036	0.5
85.02953	0.7
89.02449	2.4
93.98270	0.2
95.01392	0.2
96.96057	0.4
97.02946	2.9
97.06598	0.6
99.00880	9.2
101.02435	2.0
109.06594	0.7
110.03726	0.5
113.02460	1.0
116.34155	0.2
117.73286	0.2
118.14562	0.2
119.03532	1.1
123.08147	0.4
125.09727	3.2
127.11298	0.4
131.03534	0.2
135.08186	0.5
136.05295	0.3
142.02748	1.0
143.03577	0.2
145.02991	0.2
145.10255	0.3
153.12868	0.4
155.14400	0.7
161.04645	0.2
161.09689	0.5
163.11276	4.5
164.11630	0.3
171.10222	0.2
179.05614	0.5
179.10762	0.5
181.12332	12.6
182.12675	0.6
189.09308	0.2
191.05638	0.3
197.11797	0.7
199.13393	8.8
200.13728	0.5
207.10251	23.7
208.10583	1.5
225.11310	35.9
226.11630	1.6
231.58267	0.2
243.12355	100.0
244.12712	5.8
372.29187	0.2
515.28943	0.4
579.18207	0.2
659.32886	0.7
677.33527	1.1
677.49530	1.9
750.85223	0.2
831.96619	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.5587
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	1.1
70.09244	2.8
71.01384	78.9
72.01701	0.7
72.99313	6.5
73.02943	9.0
75.00864	1.2
78.95901	1.0
81.03426	0.7
83.01382	6.4
85.02951	24.1
86.00092	2.5
87.00874	7.4
89.02446	36.5
95.01384	8.0
97.02946	2.2
97.06576	0.7
99.00880	8.2
101.02444	39.3
109.06539	0.7
111.00888	14.5
113.02451	44.4
114.02831	0.8
115.03970	0.7
116.92944	0.8
119.03505	22.6
125.02445	1.8
127.07640	2.5
129.01944	4.7
131.03503	2.7
136.10042	0.6
141.01932	5.9
141.09119	0.7
143.03503	4.7
145.02930	1.2
149.04581	1.1
152.99574	1.2
159.03026	4.2
161.04558	12.3
162.05203	1.0
177.04053	0.7
179.05608	7.3
207.10323	0.7
264.88678	0.7
275.20197	1.6
276.20746	0.8
277.21719	100.0
278.21970	7.7
291.20383	0.8
291.23254	3.9
293.21298	3.5
297.46231	0.7
301.22006	1.1
319.22772	1.0
383.20743	4.7
481.27991	1.5
525.30298	0.9
537.34271	4.0
541.30432	1.0
609.32690	5.4
610.32800	0.7
627.34021	3.4
629.32013	2.0
643.33337	20.1
643.43970	1.2
644.34015	3.5
653.83551	0.7
661.34326	16.4
662.34491	1.3
921.55731	3.5
922.55109	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.5578
Annotation	Unknow
Peak:m/z	Relative Intensity
64.92509	0.4
69.03435	1.0
70.01849	2.1
70.76443	0.4
71.01379	17.7
72.99303	0.9
73.02940	3.3
75.00900	0.5
78.78860	0.5
78.95881	0.8
83.01393	2.2
83.05011	0.9
85.02945	8.0
87.00866	1.5
89.02442	6.2
95.01359	1.9
96.96000	5.5
97.02930	2.4
97.06568	1.0
98.95596	1.9
99.00880	2.2
101.02438	10.3
108.67856	0.5
109.06557	0.7
111.00879	0.9
111.08159	8.8
113.02446	6.7
119.03512	3.3
125.02458	1.2
125.09703	0.9
127.07659	1.0
137.09732	2.1
141.01904	0.5
143.03477	1.3
151.11249	0.7
153.12833	0.6
159.02956	1.0
161.04514	1.4
163.82570	0.4
169.12360	3.2
171.10271	4.9
177.12909	0.6
179.05579	1.3
181.12326	1.2
183.13832	1.4
195.13882	1.8
197.11819	38.7
198.12175	1.9
199.13423	1.7
209.15491	0.9
211.13361	5.8
223.17062	2.3
225.15080	0.7
227.12929	0.8
232.15816	0.5
233.15479	1.7
235.08183	0.5
247.20549	1.4
251.16530	4.5
255.23395	1.2
263.20193	1.7
265.14764	6.0
265.17679	1.2
266.15152	2.5
267.14230	2.8
267.19556	0.5
273.18573	1.4
291.19623	15.2
292.20062	1.4
293.21136	0.9
309.20691	100.0
310.21005	8.4
397.13635	1.1
449.29144	0.7
467.29977	4.3
468.30069	0.6
611.34253	20.6
612.34589	3.4
629.35376	46.3
630.35754	6.4
668.20349	0.6
921.56256	7.3
922.55811	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	921.5583
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99811	1.3
69.03455	1.3
71.01382	73.8
71.54561	0.5
71.54943	0.5
72.01688	0.4
72.99312	5.4
73.02947	9.3
75.00868	1.6
78.95901	0.7
81.03441	0.5
83.01380	5.8
84.02178	1.0
85.02952	23.1
86.00107	2.2
87.00870	7.3
87.26460	0.4
89.02445	39.0
90.02762	0.7
95.01389	7.9
96.96003	1.4
97.02962	2.5
99.00872	6.9
101.02444	38.2
111.00888	13.8
112.01686	0.5
113.02451	43.0
114.02789	0.9
116.92924	0.5
119.03506	21.2
123.00887	1.2
123.08157	0.9
125.02460	2.2
127.07632	1.7
129.01959	4.5
131.03520	3.1
138.81105	0.5
139.00380	0.7
141.01936	5.5
141.09283	0.8
143.03488	5.6
145.02959	1.1
149.04532	1.5
149.18251	0.5
152.99619	0.5
159.02951	3.6
161.04543	12.1
162.05185	0.5
162.98184	0.4
175.40590	0.5
177.03957	0.6
179.05602	6.5
207.04004	0.5
221.15675	0.4
259.20682	0.7
273.22174	1.4
275.20108	1.5
276.20871	0.7
277.21716	100.0
278.22052	7.9
291.23254	4.4
292.23871	0.6
293.21320	3.0
300.71777	0.5
301.21744	0.7
303.14542	0.5
319.22821	1.5
357.27969	0.9
383.20810	3.4
481.27808	0.7
483.29684	1.1
499.29282	0.7
525.30719	0.7
537.34387	4.0
541.30219	0.7
609.32849	6.2
610.32971	0.8
625.32733	0.8
627.34381	2.9
629.31653	1.9
643.33295	21.0
644.33276	3.0
645.35022	1.0
661.34393	16.6
662.34814	3.2
902.87244	0.5
921.54852	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	921.5576
Annotation	Unknow
Peak:m/z	Relative Intensity
65.78741	1.3
69.03434	1.0
70.37091	1.1
70.38049	3.3
70.38416	1.3
71.01382	64.9
72.99306	4.9
73.02943	7.3
75.00864	1.2
78.95901	2.0
83.01384	5.3
84.24394	1.0
85.02946	20.7
87.00871	5.0
89.02444	46.7
90.54207	1.2
95.01377	7.0
97.02955	1.5
98.16148	1.3
99.00883	5.7
101.01804	2.4
101.02441	37.8
109.06520	1.2
111.00866	2.7
112.01648	1.4
113.02447	39.4
116.92850	1.5
119.03501	21.5
125.02415	1.9
129.01878	2.2
131.03490	2.2
141.01935	2.0
143.03543	6.1
149.04501	1.6
152.99634	2.3
159.02946	1.7
161.04520	9.5
179.05583	5.3
204.72195	1.2
207.10237	2.0
218.79288	1.1
225.11165	1.1
249.18672	1.1
251.05290	1.2
277.21716	100.0
278.22012	9.2
291.23260	4.8
319.22650	1.6
337.12881	1.2
463.27097	6.8
481.28220	11.4
523.07111	1.1
551.27686	1.3
554.93933	1.2
579.09528	1.2
611.34174	1.8
625.32288	13.3
643.33228	26.0
644.33179	3.4
661.33771	1.6
861.48065	1.6
921.51166	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	921.5579
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03464	1.6
69.32484	2.1
69.32896	5.3
71.01381	100.0
71.87003	0.9
72.01724	1.1
72.99310	7.4
73.02948	10.4
75.00864	1.9
77.59550	0.9
83.01383	5.3
85.02950	28.0
86.00113	1.4
87.00871	6.9
89.02443	81.8
95.01383	10.6
97.02953	2.2
99.00877	4.0
101.02437	52.6
107.03483	1.4
109.06590	21.5
111.00211	1.5
111.00863	7.6
112.63152	0.9
113.02448	57.8
114.02856	1.1
119.03502	40.4
123.89762	1.0
125.02435	1.6
127.07636	3.4
129.01936	3.5
131.03494	4.1
140.96826	0.9
141.01895	3.3
143.03493	9.9
145.02946	1.3
149.04596	2.8
159.02924	1.9
161.04553	13.6
179.05598	19.9
250.05113	0.9
255.20966	1.0
263.23712	1.1
273.22311	3.6
275.20032	1.6
277.21698	88.9
278.22064	7.7
291.19992	1.3
291.23282	27.2
292.23538	2.3
293.21271	3.1
301.21622	2.9
319.22797	7.9
331.22916	1.9
349.23877	1.7
463.26877	1.6
481.27945	5.6
605.40613	3.8
609.32544	1.2
627.33966	1.6
643.33002	11.3
661.34338	9.7
662.34875	2.3
709.41638	1.1
805.91827	1.1
848.77679	1.1
921.55676	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	921.5577
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03438	1.7
69.83711	0.6
71.01380	20.3
71.05011	0.6
72.99310	1.1
73.02946	4.5
75.00848	1.0
77.62331	0.7
83.01364	1.8
83.05016	1.4
85.02947	10.1
87.00848	1.6
88.20914	0.6
89.02438	7.6
95.01374	2.1
97.02924	1.2
97.06571	1.0
97.92462	0.6
98.19870	1.5
99.00877	2.6
101.02444	9.7
111.00842	0.6
111.08156	5.5
113.02451	8.4
119.03482	1.9
119.08634	1.1
121.03046	0.7
125.02424	1.2
125.09702	1.3
127.07655	0.7
129.01881	0.7
137.09702	3.6
143.03502	1.0
153.12791	0.9
161.04572	1.8
167.10709	0.7
169.12340	1.9
171.10257	15.9
177.12737	0.8
179.05669	0.8
181.12357	1.3
185.11841	1.5
195.13835	1.4
197.11830	24.3
198.12192	1.4
199.09613	0.8
199.13359	1.3
207.13902	1.0
207.17398	1.1
209.04500	0.7
209.15488	5.6
211.13390	3.5
213.11298	0.9
221.15320	1.1
222.96138	0.5
223.17044	7.8
229.05956	0.8
231.26688	0.7
233.15474	3.6
247.20813	0.8
251.13850	0.9
251.16504	16.5
252.16743	1.1
263.20114	2.3
273.18594	1.8
277.21542	0.9
291.19614	14.5
292.20090	0.6
293.21243	2.5
307.19229	1.5
309.20700	100.0
310.20993	8.6
333.16418	0.6
405.74762	0.7
430.69580	0.7
449.28928	0.8
467.30112	4.4
611.34265	21.3
612.34918	3.2
629.35388	47.7
630.35791	8.0
921.55902	19.9
922.56647	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	921.558
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01859	0.7
67.62518	0.6
69.03444	2.9
70.11979	1.6
70.12388	1.2
71.01384	17.6
72.99279	1.6
73.02946	4.5
75.00835	0.6
78.95879	0.7
79.95701	0.8
80.02614	0.7
80.96479	1.0
81.03429	0.9
83.01340	2.0
83.05002	1.0
85.02475	0.7
85.02949	9.0
87.00835	1.8
89.02438	6.9
95.01352	2.0
95.04993	0.6
97.02938	8.2
97.06569	1.2
99.00840	2.4
99.01426	0.7
101.02431	9.3
105.90636	0.6
111.00880	1.0
111.08105	2.2
113.02445	9.2
119.03526	2.9
119.08623	2.3
121.10210	0.9
123.08145	0.9
125.02444	1.3
125.09693	2.1
127.11213	1.3
129.01849	0.9
129.62138	0.6
137.09724	5.8
139.11198	1.1
141.09152	0.7
143.03441	1.2
145.35208	0.6
151.11342	0.9
155.10693	0.7
157.72388	0.5
159.02946	0.8
161.04471	2.3
163.11275	1.3
165.12842	3.3
167.10742	0.7
169.12296	0.9
171.10275	19.9
172.10516	0.7
177.12807	0.9
179.05583	0.8
181.12352	1.0
183.13873	1.9
185.11786	3.4
186.50188	0.6
193.12321	0.9
195.13904	1.1
197.11818	5.1
199.13213	0.7
201.11311	0.9
203.84828	0.7
209.11758	1.9
211.13356	1.8
213.11269	1.6
221.11794	0.9
223.13281	1.0
225.00662	0.8
225.14899	1.4
225.86250	0.6
227.12889	1.6
243.79382	0.9
247.20616	3.4
251.16556	0.9
273.18552	2.2
291.19653	34.0
292.20093	2.7
293.21140	1.8
295.77533	0.6
309.20697	100.0
310.20947	7.5
443.32196	0.6
449.29156	1.2
467.29904	4.3
562.31445	0.6
611.34332	32.0
612.34631	5.9
619.86237	0.7
629.35388	46.8
630.35858	7.3
645.34979	0.9
647.42395	0.7
670.60181	0.7
921.56213	20.3
922.56372	5.7
924.36371	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.4696
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99797	0.7
69.03449	1.9
70.16298	0.5
71.01382	58.6
72.01693	0.7
72.99313	3.6
73.02942	18.0
75.00867	1.0
75.75919	0.5
83.01389	9.4
84.05564	0.6
85.02947	30.9
86.00109	1.0
87.00867	4.9
87.04488	1.1
89.02443	22.8
95.01395	6.4
97.02953	3.8
98.31531	0.6
99.00882	5.5
99.04503	0.8
101.02441	40.9
102.02785	0.7
103.04016	3.9
111.00861	4.1
111.78542	0.5
113.02445	20.6
115.04002	1.9
119.03492	7.3
124.01671	0.8
125.02467	3.3
127.03967	0.9
129.01930	2.9
131.03485	1.8
137.15022	0.7
141.01889	1.8
143.03493	3.8
145.05075	0.9
159.02946	1.2
161.04562	3.7
163.06110	1.4
205.07202	1.2
247.08179	1.3
303.69662	0.6
327.15808	0.6
383.03778	0.6
467.30084	1.6
577.66278	0.6
611.34259	5.1
612.34332	1.2
613.35748	2.8
629.35370	10.6
630.36090	1.8
757.40173	7.8
758.41559	0.7
775.41174	59.0
776.41370	11.2
776.54291	1.0
921.46930	100.0
922.47339	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	921.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01900	0.4
70.86913	0.6
70.87225	0.4
71.01377	14.7
71.05023	2.1
72.01713	0.4
72.99297	1.4
73.02932	0.9
73.28194	0.4
83.01374	1.1
83.05018	0.7
85.02935	3.1
87.00870	1.3
89.02441	15.1
95.01394	0.9
96.96014	0.7
97.02950	4.1
97.06538	0.9
99.00877	12.2
101.02441	10.8
106.04095	0.4
109.06575	1.8
109.39427	0.4
110.03719	0.8
111.00875	0.8
111.04483	0.5
113.02444	5.7
119.03496	7.9
123.08158	0.8
123.93928	0.5
125.02427	0.4
125.09725	4.1
129.01949	0.7
131.03467	1.1
141.01947	0.9
142.02702	1.7
143.03476	1.7
149.04559	0.8
153.12811	0.5
155.14487	1.0
159.02985	1.0
161.04568	2.6
161.09737	0.5
163.11266	6.1
173.89459	0.4
179.05618	4.1
181.12334	16.4
182.12665	0.8
188.25781	0.4
197.11797	0.8
199.13399	9.9
200.13733	0.6
207.10260	29.6
208.10605	1.6
225.11314	41.7
226.11731	2.4
243.12355	100.0
244.12718	4.4
399.20276	0.8
443.74368	0.4
497.27383	2.2
515.28418	7.4
516.29016	0.9
571.38586	0.5
643.32928	2.7
659.32953	2.9
677.33844	12.2
677.50183	0.7
678.34113	2.3
926.35278	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.4698
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	3.0
71.01382	51.7
72.01735	0.4
72.99319	5.1
73.02946	25.2
74.03271	0.4
75.00870	1.7
81.03442	1.1
83.01389	12.6
83.05019	0.5
85.02950	27.5
86.00086	2.8
86.03271	0.6
87.00878	10.3
87.04518	4.2
89.02446	19.1
95.01390	4.1
97.02950	4.3
98.19875	1.1
99.00886	5.0
99.04508	0.8
101.02443	40.0
102.02770	0.7
103.04009	5.0
109.61069	0.4
111.00891	3.1
113.02453	14.3
114.02800	0.4
115.04018	5.6
117.53414	0.4
119.03503	6.3
123.00879	0.4
124.01666	1.1
125.02451	5.3
127.04005	1.0
129.01949	1.9
131.03510	7.1
141.01926	2.0
143.03506	9.9
145.05077	2.3
159.02960	1.2
161.04541	2.9
163.06102	5.0
177.20956	0.4
184.74901	0.4
205.07179	6.9
229.07199	0.6
229.71584	0.4
247.08235	2.3
256.87643	0.4
265.09320	0.6
307.10425	0.6
374.11115	0.5
403.83896	0.3
437.21237	0.4
467.30099	1.7
611.34607	1.8
613.36029	4.2
614.35498	0.7
629.35358	4.5
630.36011	0.8
757.40057	7.6
758.40887	2.0
775.41187	50.5
776.41602	9.1
822.34827	0.4
921.46967	100.0
922.47296	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	919.542
Annotation	Unknow
Peak:m/z	Relative Intensity
68.26643	1.0
69.03455	1.9
71.01378	31.0
72.99310	1.2
73.02936	4.3
78.05634	0.9
81.03458	3.5
83.01373	8.4
83.05025	2.8
85.02949	12.7
87.00848	2.1
88.98812	1.1
89.02444	12.1
93.03438	2.0
95.01393	2.5
95.04999	2.3
97.02940	3.5
97.06573	7.9
98.19864	2.2
99.00879	3.2
101.02447	17.9
109.02957	0.9
109.06596	1.8
111.00853	2.6
111.08142	1.5
113.02427	15.5
117.15503	0.9
119.03490	4.5
121.06599	1.6
123.04498	3.0
123.08159	2.3
125.02419	2.1
125.06104	1.2
125.09705	7.1
131.03445	1.3
132.57684	1.2
135.08113	1.1
137.09697	4.0
141.12851	1.7
142.02756	1.7
143.03487	2.9
147.91124	1.0
149.09669	1.3
151.11255	5.4
155.10759	1.3
161.04536	4.5
163.11295	7.7
164.11624	1.0
165.12820	6.3
171.10234	1.5
175.11240	1.0
179.05586	1.9
179.10751	1.9
181.12325	6.5
185.11806	7.2
191.10739	6.2
191.14426	7.0
201.11272	2.1
207.10222	4.2
209.11826	49.9
210.12137	2.4
211.13400	4.1
217.16011	1.7
224.72781	1.1
225.11269	3.0
226.86160	1.2
227.12859	3.7
229.15875	1.1
237.11334	2.4
245.19093	19.8
263.20074	8.7
271.16919	2.2
277.21805	1.0
279.19684	1.3
289.18079	60.9
290.18405	6.0
307.19135	100.0
308.19482	9.5
354.51346	1.1
397.13376	1.6
467.30237	7.5
611.34387	43.8
612.34595	7.6
629.35394	60.9
630.35718	10.2
821.47357	8.1
822.47845	1.9
919.53314	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	919.542
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03456	1.2
71.01380	28.4
73.02962	4.5
78.95890	1.6
81.03452	2.8
83.01385	7.9
83.05014	2.7
84.02162	0.9
85.02950	10.8
85.68087	0.7
87.00874	1.5
89.02443	9.2
95.01383	2.1
95.05009	2.4
97.02955	4.0
97.06583	4.8
98.19861	2.2
99.00869	2.7
101.02447	13.4
106.04252	1.3
109.06612	1.3
111.00859	1.5
112.30727	0.8
113.02450	13.1
119.03471	3.9
119.08683	1.4
121.06614	1.5
123.04501	4.3
123.08147	2.4
125.02457	1.7
125.06105	1.0
125.09717	7.1
129.01958	1.2
135.08136	2.3
137.09747	4.4
141.12878	1.1
142.02730	1.2
143.03531	1.7
151.11317	1.0
152.99515	1.4
159.02975	1.0
161.04504	4.5
161.09703	2.1
163.07597	1.0
163.11270	8.6
165.12820	2.4
167.10832	1.0
171.10283	1.7
177.12810	1.4
179.05553	1.5
179.10805	1.1
181.12323	2.6
185.11827	9.8
191.10756	2.5
191.14409	9.7
207.10297	4.9
209.11821	39.5
210.12167	2.2
211.13368	1.7
225.11273	3.8
226.11836	1.0
229.70465	1.1
237.11337	3.0
245.16653	1.5
245.19096	22.4
246.19403	1.1
255.23355	1.4
263.20126	3.3
271.17023	2.7
289.18076	72.0
290.18378	7.3
293.21249	6.9
307.19131	100.0
308.19516	7.7
449.29044	1.7
467.29974	8.2
487.99100	0.9
611.34320	40.1
612.34515	6.5
629.35345	61.7
630.35748	11.8
821.46753	2.2
919.53937	5.5
920.55237	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	919.5268
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03463	0.5
71.01379	23.9
71.05019	3.7
72.99311	0.8
73.02943	10.2
73.03362	0.8
81.03456	1.0
82.43745	0.4
83.01380	1.4
83.05016	3.5
85.02937	4.1
85.06588	0.6
86.37283	0.5
87.04521	0.6
89.02438	10.3
95.01385	1.2
95.05039	1.0
96.41636	0.4
97.02946	3.6
98.19823	0.7
99.00860	0.9
99.04509	1.7
101.02433	9.5
101.06072	5.7
111.00880	0.5
111.04526	1.7
113.02454	5.1
113.06098	1.6
115.03196	0.9
115.04010	16.2
119.03501	3.9
119.35069	0.4
121.75441	0.4
125.09754	0.7
127.04016	0.9
127.11266	4.7
129.05573	6.4
131.03474	0.6
137.09717	0.7
139.11293	6.9
143.03482	0.5
145.05064	12.5
155.10750	4.0
161.04549	1.3
175.14923	3.2
179.05623	0.7
181.12167	0.4
191.05602	0.6
193.15894	2.7
198.01892	0.5
255.16000	3.0
273.17047	100.0
274.17426	6.2
431.92740	0.4
469.12579	0.5
483.29453	3.8
645.34821	99.1
646.35229	15.2
731.95471	0.6
758.15533	0.6
812.92706	0.5
849.85303	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.491
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	1.1
71.01382	100.0
72.01715	1.8
72.99303	2.8
73.02944	4.9
78.65427	1.1
80.96503	3.9
81.03460	2.5
82.13029	1.0
83.01391	2.7
83.05046	1.6
85.02941	6.0
87.00871	5.2
89.02448	17.4
95.01411	2.6
97.02946	6.8
98.19920	2.1
99.00867	2.5
101.02441	16.8
101.04880	1.0
107.04997	1.2
109.06593	8.6
113.02439	10.6
114.00084	0.9
119.03500	5.2
123.08107	1.1
125.02434	7.4
125.09693	4.3
127.11241	5.1
135.08173	2.4
143.03516	3.2
148.96420	1.0
155.10739	1.8
161.04543	3.9
163.11227	5.7
171.10268	60.4
172.10617	2.6
179.05611	4.8
181.12354	2.5
185.11723	1.2
189.09114	1.1
194.80695	1.1
199.09769	14.7
199.13402	1.3
200.10147	1.4
201.11320	22.3
207.10268	23.3
209.11809	1.2
221.06636	3.0
225.11305	15.3
235.08191	5.1
243.12291	2.1
253.09454	1.3
271.22623	1.2
277.21725	53.8
278.22052	3.7
287.07819	1.6
289.18219	6.4
305.08710	1.7
323.09891	1.6
335.89053	1.2
379.12466	3.7
397.13477	30.3
398.13815	1.9
415.14584	10.0
549.62585	1.1
577.26929	1.9
579.22412	1.4
597.24109	3.2
605.24243	2.3
611.33844	2.1
623.25659	5.0
629.35193	2.9
640.23328	1.2
747.54944	1.1
857.44891	2.6
883.46667	8.0
884.47192	3.5
901.48267	3.2
919.48828	11.2
920.48163	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	919.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
64.49004	1.5
71.01384	100.0
71.05029	2.5
71.53886	2.6
72.23536	1.4
73.02940	7.4
77.29559	1.5
80.96538	1.9
81.03445	3.2
83.01385	4.2
83.05034	3.0
85.02950	8.9
87.00864	4.6
89.02441	19.2
95.01392	3.3
97.02950	4.2
99.00864	3.2
101.02440	16.4
109.02207	1.6
109.06591	14.8
111.04540	4.5
113.02454	15.3
119.03494	5.7
125.02477	7.7
125.09709	4.0
127.07646	2.1
127.11295	1.8
143.03496	2.3
145.06639	1.8
155.58951	1.5
161.04567	3.5
163.11285	4.2
171.10274	52.5
172.10562	4.4
179.05577	4.9
181.12338	3.2
199.09807	9.8
201.11313	15.5
207.10251	16.4
209.11818	1.9
210.12070	1.8
221.06700	2.4
225.11252	11.5
235.08067	1.6
245.19115	5.0
253.09305	2.3
271.17398	1.9
277.21735	46.3
278.22070	7.5
287.07669	1.7
287.16617	2.5
289.18088	93.2
290.18378	7.7
293.21155	1.9
307.19141	11.6
379.12354	3.5
381.67291	1.7
381.73367	1.9
397.13489	24.6
415.14557	11.4
467.30142	3.2
611.34491	15.9
612.34467	2.0
623.25623	3.6
629.35504	29.7
630.35760	3.8
883.46954	7.4
884.47314	3.1
901.48126	2.7
919.49554	11.6
920.47449	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	919.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03957	2.8
69.03458	2.2
71.01389	21.0
71.54382	2.4
72.99306	2.1
73.02942	2.5
74.58759	1.3
78.95898	2.8
83.01364	1.8
85.02948	6.1
87.00868	2.8
88.98808	9.9
89.02444	12.7
94.42682	1.3
96.96003	12.2
97.02937	4.0
97.06585	4.6
99.00888	5.8
101.02451	9.0
113.02426	5.5
119.03484	3.7
121.06540	3.8
125.02424	2.3
125.09703	8.9
127.11268	6.5
134.04716	2.0
140.03502	1.5
155.10663	1.7
161.04581	2.8
163.11340	2.9
165.09222	4.0
171.10237	4.6
179.05661	1.8
181.12309	7.1
185.11813	3.5
199.09811	2.5
199.13417	8.3
201.11317	73.7
202.11713	2.2
207.10272	14.0
209.11703	2.7
211.13268	1.8
221.06592	3.4
225.11301	20.0
235.08334	1.8
235.13373	5.5
243.12396	9.9
277.21704	27.5
278.21973	2.5
289.18103	5.5
307.19073	14.8
339.22351	1.5
397.13510	6.3
605.24402	2.7
611.34235	6.3
623.25336	4.1
629.35370	7.5
785.71930	1.7
792.52972	1.8
883.46698	9.1
884.47211	2.1
901.47595	7.3
902.48389	1.5
919.49103	100.0
920.49225	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	915.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
63.84716	0.4
65.00320	0.5
67.28493	0.4
69.20431	0.4
107.01415	0.8
149.30661	0.4
151.00339	3.3
157.65540	0.4
158.70694	0.4
159.76863	0.4
163.00304	1.1
178.99840	2.9
189.92984	0.4
190.02716	0.6
190.99883	0.4
191.05554	0.4
199.03949	0.9
206.93098	0.4
216.04300	0.8
226.02692	3.0
227.03464	1.7
227.38313	0.3
243.02943	9.2
244.03267	0.9
254.02161	4.5
255.02895	4.0
271.02448	39.4
272.03036	3.7
295.93787	0.4
300.02713	51.0
301.03436	13.1
302.03836	0.4
343.04492	0.6
421.32471	0.4
463.08783	100.0
464.09094	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	915.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
67.66762	0.3
69.41399	2.6
71.01379	3.0
73.02926	0.7
81.28642	0.3
83.05024	1.1
85.02944	1.4
87.00883	2.4
89.02451	1.7
93.03452	0.4
93.07966	0.3
93.44389	0.4
97.02972	0.4
97.06573	0.4
99.04530	0.4
101.02444	1.5
109.06618	0.4
113.02422	0.6
119.03525	0.9
129.01912	0.3
129.43124	0.4
132.26740	0.4
143.26291	0.3
145.05042	0.6
163.15015	0.4
165.12852	10.8
166.13040	0.5
173.04651	0.4
181.12329	2.1
189.12790	0.4
191.05626	0.8
191.10762	0.6
207.13914	5.1
209.11836	12.0
210.12274	0.4
225.14957	4.5
249.35861	0.3
251.12856	1.1
269.13934	100.0
270.14267	5.8
414.69681	0.4
475.07227	0.4
483.29337	1.0
645.34906	14.9
646.35132	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	915.5006
Annotation	Unknow
Peak:m/z	Relative Intensity
70.95668	0.9
71.01385	0.7
72.96864	0.4
78.95901	33.1
80.96516	1.0
93.03494	0.6
96.96946	3.3
103.88799	0.4
134.04718	1.2
150.97983	1.2
152.99580	48.7
153.99901	0.6
157.86882	0.4
171.00630	12.7
175.79649	0.4
193.77036	0.5
227.03313	2.6
245.04295	55.4
246.04649	1.3
248.45276	0.4
253.21710	27.3
254.21991	1.6
255.23277	0.5
262.18951	0.5
352.98077	0.4
433.23511	2.9
481.25687	100.0
482.26062	10.9
482.31409	0.3
583.33624	0.5
916.45563	0.7
943.61914	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
69.87739	0.9
71.01371	2.2
71.02491	2.5
72.00903	1.9
73.04078	6.7
74.02475	7.9
79.92959	0.9
82.01697	1.1
82.02972	1.4
83.02509	2.9
84.00896	1.4
85.04065	3.2
87.05656	4.8
89.02430	2.0
93.03432	1.4
95.01408	1.2
95.02505	2.1
99.00953	1.0
99.02007	21.1
99.05680	1.1
109.04074	1.4
111.02012	3.1
112.02785	0.9
112.05174	2.5
113.03591	7.1
113.07162	0.9
115.05189	1.0
115.08784	4.5
116.05070	11.6
119.05012	2.3
121.39452	1.0
124.04058	1.1
125.03539	3.7
125.07222	4.9
126.05563	1.7
127.05151	6.1
127.08731	1.3
130.06207	5.5
131.03766	1.2
131.04625	4.8
134.06110	3.2
135.05670	1.1
137.07201	3.6
139.05142	1.3
141.06694	6.6
142.06564	3.6
144.07726	2.5
151.05122	2.8
152.08267	1.4
153.06702	19.5
155.08260	4.9
156.04170	1.0
157.02412	1.1
157.07710	3.0
159.09282	3.3
162.05589	2.9
163.08781	1.4
165.06631	1.4
167.04680	1.2
167.08270	4.5
170.09355	12.5
172.10915	4.0
173.09290	1.7
177.06654	3.2
179.04588	4.6
179.08397	1.1
180.01508	1.2
181.12320	1.1
184.10844	1.8
186.05504	1.3
186.12479	1.9
191.05612	2.2
193.06169	1.5
198.08815	3.4
203.08238	11.8
204.08540	1.2
205.06172	2.2
206.09279	1.6
207.07683	1.9
207.10248	1.7
210.08818	2.2
211.12012	2.2
216.11401	2.9
225.11308	3.2
226.11667	1.4
227.11534	2.2
228.11436	2.9
230.11354	1.5
242.09334	2.0
243.12407	6.9
244.12709	3.4
254.09557	0.9
259.29361	1.2
260.10281	5.3
263.11560	2.0
267.10873	1.1
272.10431	1.4
273.13565	3.9
276.13705	1.2
281.12558	3.9
293.09442	1.5
293.12497	1.4
299.11362	1.7
317.12433	1.2
333.15640	2.0
342.14133	1.4
357.82953	1.0
372.20538	1.9
387.16724	7.0
416.19360	1.5
437.00900	1.3
442.17194	1.9
454.17282	2.5
464.16681	1.8
471.19864	4.8
484.18665	1.4
501.21182	4.1
616.42401	1.1
634.25586	1.3
663.35388	1.9
664.27069	4.3
664.36823	1.4
842.34802	3.3
872.35828	100.0
873.36108	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	907.6492
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03444	0.2
73.02936	0.2
74.06067	0.2
81.03442	1.0
83.05016	3.2
84.02165	0.2
85.02943	0.4
88.13091	0.2
93.67056	0.2
95.05029	0.7
97.06594	2.3
98.19767	0.3
99.00862	0.8
125.09740	1.4
127.11299	2.1
135.08130	0.4
153.09251	1.0
155.14380	0.7
165.12804	0.6
167.14413	1.4
171.10277	2.7
179.07225	0.2
181.12396	0.2
183.13844	1.4
184.14378	0.2
185.07246	1.2
193.12332	0.6
195.20837	0.2
197.08203	0.6
208.17220	0.2
209.11818	2.4
211.13387	7.7
212.13678	0.3
224.17609	0.5
225.16049	2.2
226.16324	0.3
227.12804	0.3
228.13173	0.3
229.06288	2.2
229.10736	2.8
229.14429	100.0
230.11171	0.3
230.14775	5.2
250.15520	0.2
282.08762	0.2
341.29111	0.2
367.27255	0.2
433.31873	0.4
435.79016	0.2
451.32861	1.4
452.33084	0.2
659.48749	0.4
677.49670	36.0
678.50024	7.4
780.81177	0.2
826.41498	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.5629
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01904	0.4
68.99576	1.6
69.03465	0.7
70.29006	0.6
70.29406	0.9
71.01380	44.6
72.01718	0.6
72.99294	2.8
73.02947	6.3
77.79860	0.3
80.91640	0.3
81.03472	0.4
83.01385	3.8
83.05028	0.7
85.02950	17.0
85.20375	0.4
87.00877	4.0
89.02445	20.8
95.01389	5.4
97.02939	1.4
97.06585	0.3
99.00867	2.9
101.02443	21.4
102.02783	0.6
111.00885	1.2
112.98556	1.3
113.02448	32.9
114.02794	0.5
115.04048	0.4
119.03500	9.6
124.01637	1.1
125.02440	3.3
126.11639	0.4
126.43781	0.4
129.01923	1.5
131.03471	1.4
143.03499	6.2
149.04538	0.9
159.02954	1.3
161.03238	0.7
161.04544	9.1
175.66612	0.4
179.05600	4.1
233.22832	0.5
259.20499	1.0
275.20135	1.0
277.21710	100.0
278.22064	7.3
291.23257	1.7
293.21457	2.1
343.71109	0.4
465.28500	6.9
483.23178	0.6
483.29584	6.8
483.35904	0.6
484.30270	0.7
507.29535	0.8
563.32184	0.5
579.31598	0.6
591.31879	1.5
597.32385	0.6
611.34198	0.7
627.33826	83.5
628.34143	12.2
629.35590	0.6
645.34875	45.4
646.35242	7.2
905.55829	1.6
906.56348	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.5785
Annotation	Unknow
Peak:m/z	Relative Intensity
65.67303	0.4
71.01380	8.6
72.99308	0.8
73.02943	1.7
78.95908	0.6
83.01377	1.1
83.05061	0.4
85.02951	3.5
87.00909	0.7
89.02452	3.5
95.01385	0.8
96.95999	1.9
99.00861	0.6
101.02435	5.1
113.02472	4.2
113.06019	0.5
113.09695	1.5
119.03484	1.5
125.02465	0.6
143.03471	0.7
161.04550	1.7
179.05675	0.7
179.14337	0.9
195.13904	10.1
196.14330	0.7
226.78026	0.5
277.21732	12.8
278.22144	1.4
293.21133	0.5
294.21509	0.5
295.22772	100.0
296.23138	7.0
330.13416	0.5
352.66516	0.6
467.30069	2.6
477.92731	0.5
611.34326	18.1
612.34784	2.8
626.30927	0.5
629.35419	25.3
630.35822	4.3
832.01581	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.5784
Annotation	Unknow
Peak:m/z	Relative Intensity
64.98355	0.6
67.69543	0.6
68.71724	0.6
70.93036	1.1
71.01381	45.0
71.52578	0.7
72.01738	0.8
72.99303	3.4
73.02940	7.4
81.03447	0.9
83.01386	5.6
85.02457	1.3
85.02952	19.8
87.00871	4.8
87.04516	2.1
89.02445	18.8
95.01368	5.2
95.52769	0.7
97.02941	2.3
97.72485	0.7
99.00920	3.8
101.01796	1.5
101.02442	23.0
102.02771	0.9
103.98771	0.7
111.00890	1.1
113.02445	22.3
119.03485	7.2
124.01657	1.2
125.02470	4.3
129.01941	1.9
131.03529	1.0
137.22284	0.7
143.03482	5.1
159.03020	1.6
161.04546	9.3
174.74252	0.7
179.05563	3.1
181.84058	0.6
211.56609	0.7
233.22707	0.9
277.21713	91.2
278.22116	6.2
279.23398	0.7
464.46320	0.8
467.30057	8.7
468.30246	1.5
485.31168	12.1
486.31415	1.9
593.32977	1.6
627.34424	0.8
629.35388	100.0
630.35706	16.3
647.36481	46.2
648.36884	7.5
682.04565	0.8
907.58221	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	905.4747
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	8.0
71.05012	1.5
72.99303	0.7
83.01411	0.6
83.05019	0.6
85.02935	1.7
89.02441	7.7
95.01415	0.6
96.96008	1.5
97.02959	3.4
97.06575	0.9
99.00873	11.5
101.02447	5.2
109.06586	0.9
110.03722	0.5
113.02428	2.7
119.03510	3.3
123.08125	0.4
125.09701	3.7
125.84344	0.3
127.11257	0.5
131.03484	0.4
135.08154	0.7
136.05302	0.7
142.02704	1.4
143.03494	0.5
145.10291	0.4
153.12878	0.4
155.14386	0.9
161.04509	0.7
163.11287	5.5
164.11600	0.5
179.05600	1.9
179.10754	0.7
181.12332	12.8
182.12657	0.5
191.05655	0.7
197.11832	0.7
199.13385	10.5
207.10243	26.1
208.10622	1.8
225.11307	40.5
226.11630	2.3
243.12349	100.0
244.12674	5.9
244.81262	0.4
499.29211	0.4
573.63672	0.4
661.34357	34.9
662.34741	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	905.5629
Annotation	Unknow
Peak:m/z	Relative Intensity
65.36225	0.5
69.03428	0.8
71.01383	44.9
72.01708	0.6
72.99309	2.3
73.02950	7.6
75.00887	0.6
83.01395	4.1
85.02948	17.6
86.00108	0.7
87.00874	2.6
89.02444	21.8
95.01382	5.3
97.02972	1.8
98.19834	1.0
99.00871	2.5
101.02441	21.1
101.03107	1.2
104.11028	0.6
111.00869	1.9
113.02453	28.6
114.02849	0.6
119.03493	10.0
121.94156	0.5
124.01662	2.0
125.02458	3.3
129.01958	1.5
131.03548	1.0
143.03503	6.6
149.04507	1.0
159.02917	1.0
161.04556	6.7
179.05600	3.6
204.09564	0.6
229.62987	0.7
243.59190	0.6
252.21492	0.6
275.20114	1.5
277.21710	93.6
278.22058	9.0
291.23181	1.2
293.00278	0.5
293.21188	5.2
311.58997	0.6
321.24457	1.3
341.32733	0.6
447.27286	0.7
465.28491	12.1
466.28815	1.3
483.29568	14.7
484.29916	1.8
525.30371	0.7
553.30145	1.2
573.30792	0.7
591.31903	1.5
609.32782	0.6
611.34473	4.9
626.32562	0.7
627.33832	100.0
628.34192	17.0
629.35291	3.0
645.34863	55.4
646.35083	9.1
905.55914	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	905.5629
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03461	0.7
71.01380	22.5
71.05015	0.7
72.99309	1.2
73.02947	3.2
75.00868	1.3
83.01389	2.2
83.05018	0.5
85.02950	9.3
87.00874	1.2
89.02441	8.8
95.01382	2.4
97.02917	0.7
98.20640	1.4
99.00874	2.1
101.02446	11.8
109.06612	0.5
111.00876	0.9
113.02451	11.0
119.03482	3.5
121.10232	5.7
124.01641	0.6
125.02436	1.3
129.01952	1.2
134.16527	0.4
143.03487	2.5
161.04538	3.4
171.10265	14.7
172.10527	0.6
179.05592	1.2
183.13896	4.5
209.15503	0.6
211.13387	1.1
223.17067	2.9
231.21242	2.6
235.17006	17.1
236.17255	0.9
236.57686	0.5
242.22243	0.4
275.20132	46.6
276.20486	2.9
293.21219	100.0
294.21539	7.5
336.84204	0.5
449.29150	1.6
454.11703	0.5
467.30215	5.3
523.57935	0.6
533.44598	0.5
611.34308	50.4
612.34552	7.4
629.35400	51.3
630.35602	7.0
790.50281	0.5
905.55603	1.1
927.16803	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.5606
Annotation	Unknow
Peak:m/z	Relative Intensity
69.43443	19.0
71.01379	9.1
72.74561	2.3
85.02954	2.9
85.56615	2.1
85.92247	2.7
89.02419	2.5
97.18225	2.2
101.02459	5.6
113.02450	4.0
122.97646	2.3
132.05247	2.0
137.02979	2.2
145.11655	2.1
163.78712	2.7
173.06958	2.6
255.23286	36.7
467.29587	3.5
471.30649	2.5
475.12604	2.6
611.34283	100.0
611.44214	5.4
612.34955	15.0
629.35461	45.0
630.35699	4.5
867.58313	24.0
868.58014	5.1
903.56525	20.8
904.55841	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	903.5606
Annotation	Unknow
Peak:m/z	Relative Intensity
66.80012	1.4
70.95994	3.1
71.01385	11.0
80.11967	1.4
85.02947	4.5
89.02441	6.1
101.02469	3.7
113.02442	6.4
114.18914	1.8
119.03486	2.4
129.02068	1.7
140.22601	1.6
143.03442	1.9
154.02022	1.5
161.04575	3.0
170.29015	1.5
170.94998	1.5
204.39212	1.6
255.23254	40.0
256.23605	2.9
319.18814	1.7
467.30020	3.6
611.34320	100.0
612.34747	20.7
629.35492	44.7
630.35907	7.0
820.45636	2.1
867.58325	21.8
868.58740	6.3
903.56024	23.5
904.55804	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	903.5607
Annotation	Unknow
Peak:m/z	Relative Intensity
65.87884	5.9
70.94157	17.0
71.01384	9.3
113.02441	7.7
163.10062	6.6
241.32043	5.7
255.23265	46.2
266.45856	6.8
281.46756	7.4
611.34338	100.0
612.34283	16.0
629.35443	53.9
630.35913	9.6
788.42383	8.4
867.58325	26.4
903.55194	19.7
904.54755	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	905.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
68.22691	0.5
71.01384	2.0
73.02945	0.5
75.68633	0.4
79.50817	0.4
83.01402	0.6
85.02951	55.5
86.03300	0.6
87.67123	0.4
89.02428	0.7
99.00878	9.3
101.02437	2.5
113.02446	0.7
116.66969	0.4
126.90432	1.6
128.03539	7.4
128.90172	11.5
128.94273	0.5
129.01944	100.0
129.05592	2.7
129.21805	0.4
130.02255	1.4
133.68971	0.4
176.20810	0.4
234.38179	0.4
490.63107	0.5
613.36096	0.6
629.35260	0.8
766.16235	0.6
775.41150	10.2
776.41571	2.1
809.98706	0.5
861.94586	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.547
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03434	0.6
71.01009	1.0
71.01381	14.6
71.05025	1.8
72.99309	0.8
73.02939	1.9
73.38136	0.7
78.95905	1.3
80.96495	2.0
81.21696	0.7
83.01383	2.2
85.02943	6.6
87.00887	1.0
89.02434	5.9
95.01411	1.6
97.06595	2.0
98.20646	2.5
99.00870	1.3
101.02440	8.2
102.14022	0.8
111.00851	1.0
111.08164	1.4
112.87458	0.7
113.02444	6.4
119.03477	1.8
121.10235	5.6
123.08192	1.3
125.02425	0.9
125.09736	5.0
129.01947	0.7
131.03389	0.6
143.03505	1.3
152.99615	1.3
159.86098	0.8
161.04523	2.5
171.10286	0.9
177.77116	0.7
179.05658	0.9
185.11827	11.6
197.11787	3.1
201.71336	0.7
209.11876	0.9
211.13396	1.1
223.13405	1.4
247.20711	1.4
273.18564	1.9
277.21689	1.1
291.19659	100.0
292.19958	8.5
397.13458	0.9
401.96448	0.8
449.29184	0.9
467.30228	3.2
611.34320	33.4
612.34930	5.9
629.35425	31.8
630.36060	5.1
903.50287	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	903.5477
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	0.9
71.01384	17.0
71.01781	0.8
71.10645	0.8
72.99313	1.0
73.02953	3.4
75.61382	0.4
80.96500	0.7
81.03525	0.5
83.01414	2.1
83.05010	0.6
85.02958	8.9
85.03465	0.7
85.12374	0.5
86.00116	0.6
87.00878	1.6
89.02444	6.8
95.01384	2.5
97.02955	1.3
99.00880	1.8
101.02436	8.0
111.00877	0.7
111.59156	0.4
113.02455	14.3
115.04044	0.7
119.03486	2.4
124.01671	3.5
125.02444	4.6
129.01936	0.5
142.02762	0.5
143.03481	3.6
146.98917	0.4
161.04568	3.1
177.16486	0.6
179.05737	0.5
205.19560	1.1
231.17450	0.8
247.16957	0.6
249.18584	100.0
250.18936	7.1
277.21664	0.9
435.13754	0.4
449.29105	2.3
450.29382	0.6
467.30148	2.2
547.32794	0.5
554.36737	0.4
557.31256	1.5
575.32263	1.5
593.33417	11.9
594.33563	1.9
611.34344	48.2
612.34723	7.0
625.32123	0.8
629.35406	14.7
630.35382	2.5
643.33093	0.6
653.35400	2.3
654.35187	0.5
671.36353	3.9
672.36731	0.8
861.53998	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	903.5474
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99812	0.3
69.03451	1.0
71.01379	17.5
72.99312	1.0
73.02940	3.0
75.00869	0.4
81.03450	0.3
83.01387	2.3
83.05035	0.6
85.02951	9.0
86.00105	0.6
87.00861	1.4
89.02447	5.1
95.01380	2.5
97.02951	1.4
97.06606	0.2
98.20690	0.3
99.00883	1.5
101.02441	7.9
101.03105	0.4
111.00881	0.8
112.01650	0.6
113.02448	13.8
114.02802	0.4
115.04019	0.5
119.03500	1.9
124.01664	2.6
125.02438	4.4
129.01933	0.3
131.03458	0.2
142.02692	0.5
143.03497	4.0
145.07979	0.2
159.02986	0.5
161.04549	2.9
179.05609	0.5
205.19641	0.8
231.17517	1.0
247.16974	0.4
249.18576	100.0
250.18930	6.6
263.20062	0.3
277.21741	0.3
398.17114	0.2
449.29111	2.3
457.23233	0.2
467.30173	2.4
491.30365	0.2
506.27719	0.2
509.30850	0.3
529.31732	0.3
533.31201	0.4
537.31012	0.3
545.31281	0.5
547.32776	0.4
557.31488	1.2
558.30566	0.3
563.32336	0.4
568.86902	0.2
575.32288	1.8
581.33655	0.2
593.33246	10.9
594.33258	1.7
611.34314	49.2
612.34595	7.7
625.32465	0.3
629.35406	14.4
630.35846	2.2
648.08435	0.2
653.35431	2.2
654.36096	0.5
671.36566	3.4
672.36615	0.4
843.53436	0.3
861.53748	0.9
862.52295	0.2
903.49115	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.5474
Annotation	Unknow
Peak:m/z	Relative Intensity
62.93370	0.6
71.01382	16.0
71.05017	17.9
72.99314	0.8
73.02946	2.4
78.95908	1.4
80.96542	0.7
83.01385	2.4
84.97302	0.7
85.02953	8.7
85.81876	0.8
87.00902	1.3
89.02436	7.4
95.01392	1.4
97.06596	5.3
99.00873	1.7
101.02444	9.7
101.93994	0.7
111.00872	1.1
111.08188	1.8
113.02441	8.5
119.03519	3.3
125.02448	1.6
143.03514	2.1
161.04527	2.4
167.10741	0.7
179.10895	0.9
181.12343	1.0
182.25763	0.7
195.13911	1.5
207.13896	2.9
219.13887	2.6
235.17090	3.2
247.20587	1.9
273.18643	1.1
291.19653	100.0
292.20026	7.4
388.49170	0.8
449.29318	1.2
467.30139	3.4
611.34326	41.7
612.34589	5.2
629.35376	36.1
630.35944	5.6
903.48425	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	903.5472
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03456	0.8
70.94152	0.8
70.94493	0.4
71.01383	16.3
72.99327	1.0
73.02945	3.7
80.96520	0.5
83.01379	1.8
84.02163	0.4
85.02953	8.4
86.00080	0.4
87.00872	1.6
89.02437	4.6
95.01371	2.3
96.96066	0.4
97.02967	1.8
99.00883	1.5
101.02448	7.5
111.00891	1.3
112.01661	0.7
113.02450	13.6
114.02840	0.3
115.03949	0.5
118.37038	0.3
119.03522	1.9
122.82780	0.4
124.01655	2.7
125.02462	5.2
129.01920	0.6
133.04802	0.3
143.03503	3.8
159.03017	0.6
161.04581	3.8
179.05626	0.5
205.19620	0.8
231.17491	1.0
247.17026	0.4
249.18585	100.0
250.18929	7.2
277.21576	0.4
360.28708	0.3
449.29095	2.7
467.30133	2.9
492.15082	0.4
547.32544	0.6
557.31030	1.1
575.32227	1.4
576.32574	0.4
593.33350	11.2
594.33582	2.0
611.34332	53.2
612.34753	8.6
629.35413	16.2
630.35742	2.5
653.35828	2.2
654.35681	0.4
671.35968	2.3
672.36444	0.5
861.53796	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	903.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99801	1.5
69.03458	6.2
69.32944	10.1
69.33352	3.5
71.01379	68.0
72.99303	8.0
73.02953	18.4
75.00895	2.4
79.72398	1.7
80.52462	1.6
81.03455	2.8
83.01379	11.0
83.04961	1.7
85.02948	47.2
86.00097	3.0
87.00883	15.6
87.04518	2.1
89.02446	28.2
95.01395	8.5
97.02936	8.3
98.20127	7.8
99.00862	7.6
101.02446	40.4
103.04018	3.5
109.02940	3.0
111.00874	5.0
113.02453	32.4
115.04006	3.5
119.03517	10.8
123.00928	2.0
124.01667	15.7
125.02454	18.4
126.69122	1.5
127.03960	4.5
142.02715	2.7
143.03499	8.0
145.05034	3.3
159.02989	2.4
161.04530	6.5
163.06068	2.2
187.02451	2.7
211.13818	1.8
221.38174	1.6
449.29077	3.3
467.30026	6.1
575.32428	3.4
593.33295	7.1
611.34540	33.7
612.34564	6.4
613.35919	3.0
629.35309	18.3
630.35468	4.1
653.35126	3.3
671.36420	7.4
672.36926	2.6
674.74359	1.9
721.38470	4.0
739.39203	30.1
740.39410	6.1
757.40155	100.0
758.40491	21.9
775.41302	37.2
775.53912	1.2
776.41010	5.8
799.41028	29.8
800.41919	8.5
817.42365	46.0
818.42639	10.1
858.66553	2.0
859.43359	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	903.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
70.39651	2.3
70.40019	1.9
71.01382	19.9
72.99310	2.9
73.02951	4.4
79.19809	0.9
80.96530	1.8
81.03475	1.8
83.01382	1.8
83.05025	5.7
85.02952	5.5
87.00877	4.0
89.02454	15.1
90.19338	1.0
95.01392	2.0
97.02969	3.1
99.00880	1.1
101.02444	14.3
109.02928	1.1
113.02437	9.1
114.59161	1.0
119.03514	3.8
125.02456	6.7
125.06100	1.3
125.09737	2.9
126.82890	1.0
127.11259	3.1
143.03520	2.5
146.14619	1.0
155.10754	1.4
161.04573	4.2
163.11263	3.3
165.12848	2.1
167.03635	1.1
171.10260	3.1
179.05696	5.4
180.70615	0.9
183.10291	1.1
191.05748	1.1
191.10838	1.5
197.03635	0.9
199.09760	1.1
201.11322	82.6
202.11652	4.1
209.11832	100.0
210.12163	4.0
221.06601	2.0
225.11325	1.5
227.12917	11.4
235.08264	6.2
242.32709	1.0
256.51434	1.2
277.21725	53.7
278.22028	5.5
287.07828	1.9
291.19641	3.8
305.08624	2.6
323.09674	1.9
379.12408	7.5
397.13504	43.7
398.13712	4.0
415.14557	13.8
461.32526	1.7
581.24548	2.0
589.24664	1.8
599.25684	4.0
607.26227	1.8
611.34180	1.2
629.35748	1.4
675.35370	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	901.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
67.48687	0.6
69.19316	6.3
71.01382	23.8
72.99304	2.6
73.02941	3.0
79.95736	19.3
81.95296	0.8
83.01385	2.6
85.02949	9.6
87.00861	1.1
89.02440	13.1
89.02953	1.2
95.01366	2.0
99.00864	1.8
101.02439	14.9
106.04251	0.6
111.00874	0.8
111.08125	1.5
113.02444	8.5
119.03477	5.3
119.98250	0.6
121.72376	0.6
125.04276	0.7
129.01958	0.8
134.30685	0.7
141.05565	1.9
143.03539	0.6
161.04536	2.8
179.05573	2.9
188.11110	1.9
194.48785	0.6
252.07298	14.5
253.07552	4.7
253.14398	2.9
254.06859	1.3
345.71259	0.6
419.07306	0.8
485.31100	5.5
533.50439	0.7
647.36450	100.0
648.36804	15.4
648.47266	1.4
689.52075	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	5.0
71.01382	68.8
72.99302	4.8
73.02946	22.3
81.03444	2.2
83.01393	10.0
85.02947	38.6
85.46059	1.9
86.00100	2.7
87.00877	14.7
87.04520	2.5
89.02441	25.0
89.02952	2.9
95.01379	8.1
96.96037	2.8
97.02953	7.3
98.95570	2.0
99.00872	10.2
101.02441	42.6
103.03988	3.2
105.19865	1.6
111.00864	7.4
112.01698	2.2
113.02448	39.9
115.04058	3.9
116.92857	6.2
119.03478	8.2
124.01663	22.8
125.02443	20.5
127.03999	7.3
129.01941	2.3
133.07574	2.0
134.70660	1.9
142.02780	2.1
143.03471	9.6
159.02972	2.1
161.04549	6.0
179.05594	2.4
187.02460	2.0
204.24152	2.0
229.08267	1.7
243.14769	1.8
397.27652	1.8
415.70636	1.8
467.30099	5.8
593.33197	5.8
595.34161	3.0
611.25745	1.6
611.34387	31.6
612.34729	5.2
613.35974	3.2
629.35449	20.0
630.35870	2.1
653.35840	3.3
671.36230	6.9
721.37799	4.9
739.39038	33.8
740.39386	4.4
757.40070	100.0
758.40027	19.0
775.41052	31.2
776.41840	5.2
799.41107	30.5
800.42090	3.2
817.42297	47.6
818.42511	7.9
859.43140	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	901.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
64.53845	1.0
71.01379	28.1
71.05019	3.3
73.02934	3.4
75.00865	1.6
76.34119	0.9
78.95903	1.0
80.96491	2.6
81.03481	1.2
83.01408	1.6
85.02942	4.4
85.03447	0.9
87.00866	3.4
88.98800	3.2
89.02445	12.6
95.01336	1.2
95.05032	1.9
97.02951	4.6
97.06571	4.1
99.00874	16.5
101.02433	10.6
109.06573	2.2
113.02464	6.1
119.03472	2.1
125.02422	3.8
125.09707	8.2
127.11317	1.2
135.08118	1.2
142.02730	1.2
151.11163	1.1
152.29097	1.0
153.12839	1.4
161.04533	1.7
163.11281	10.1
164.11676	1.4
171.10265	10.4
179.05554	2.1
179.10638	1.4
181.12325	12.8
182.12779	1.1
197.11845	2.8
199.13364	6.3
201.11328	2.3
207.10254	25.6
208.84918	0.9
215.12897	1.3
221.06628	1.5
225.11305	36.7
226.11670	2.4
229.02603	1.2
235.08090	1.3
243.12334	11.3
277.21719	34.4
278.21912	3.9
341.40768	1.1
379.12424	1.5
397.13449	10.7
415.14612	2.7
502.44235	1.1
605.24548	1.4
623.25745	2.6
641.26294	2.2
679.00354	1.2
883.46631	3.9
901.47888	100.0
902.48169	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03461	1.3
70.82747	2.3
71.01379	20.0
71.05024	2.1
72.99323	1.3
73.02934	2.0
75.00894	0.9
80.96497	1.1
83.01392	1.8
85.02946	2.9
87.00868	2.5
89.02453	7.0
95.01402	1.2
95.05022	1.1
97.02948	6.3
97.06575	2.0
98.73488	0.8
99.00258	1.4
99.00880	17.4
99.01527	0.9
101.02450	8.0
108.77740	0.7
109.06596	1.3
110.03770	1.1
113.02441	3.6
119.03504	1.4
123.08150	0.8
125.02453	1.4
125.09727	7.1
126.83330	0.7
142.02716	2.4
146.12143	0.9
153.09134	0.8
161.04535	2.0
161.09697	1.1
161.58195	0.7
163.11290	9.8
171.10277	4.6
179.05565	1.6
179.10704	1.0
181.12344	15.8
182.12624	1.0
197.11809	2.0
199.13399	11.1
201.11346	1.5
207.10246	32.2
208.10645	1.5
221.06660	3.4
225.11311	44.1
226.11658	3.1
235.08354	0.8
243.12358	25.5
244.12697	1.1
263.07654	0.7
277.21729	14.4
352.32480	0.8
397.13556	4.6
415.14624	1.5
475.63687	0.8
532.18475	0.7
554.93939	0.8
623.25745	2.9
641.26648	2.6
769.40790	0.8
883.46918	1.1
901.47986	100.0
902.48212	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	901.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
67.15786	0.5
68.10643	0.6
71.01376	1.8
71.51809	1.0
72.99295	0.5
77.31302	0.5
79.95740	1.4
83.01397	0.6
85.02978	0.7
88.00992	0.5
93.95856	0.5
94.55641	0.5
96.96011	42.7
97.95898	1.0
98.95596	14.3
98.96436	2.2
99.00887	1.0
99.92584	39.4
100.92591	1.6
100.93320	1.3
101.02424	1.4
103.00401	0.8
111.00879	0.8
114.93365	0.7
115.92079	36.8
116.92859	100.0
117.92865	5.1
117.93604	1.0
119.72139	0.6
124.34520	0.6
124.69583	0.6
128.57141	0.5
140.92839	1.1
141.93636	1.6
142.94415	1.8
158.93983	0.7
161.30780	0.6
170.93887	1.2
174.93394	1.3
184.91846	4.9
184.95401	1.0
185.92732	0.7
186.93379	1.4
196.95447	0.7
212.94960	0.6
226.96617	0.9
242.95982	1.0
244.97462	0.7
253.09679	0.6
259.96252	1.1
266.85562	0.5
301.97299	0.8
533.22302	2.6
534.22729	0.7
575.23230	1.7
591.21497	0.7
613.34381	0.9
661.26666	1.0
673.37561	0.9
675.24304	1.0
693.25720	1.9
694.26221	1.1
735.26862	1.4
736.26605	0.7
753.28180	2.4
771.29633	1.3
813.30298	3.1
815.28333	1.8
857.29285	3.0
858.30042	1.0
901.27881	3.2
901.49023	1.3
902.28973	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	901.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
70.45345	0.5
71.01384	1.6
71.59634	0.4
72.25970	0.4
72.99294	0.4
79.95747	2.5
81.95306	0.7
83.81258	0.5
87.17886	0.4
89.64835	0.4
96.96013	66.3
97.02937	0.7
97.95924	1.5
98.20065	2.2
98.94949	1.0
98.95596	21.3
98.96428	3.7
99.00871	1.2
99.92587	45.2
100.92573	1.8
100.93360	2.0
103.00408	0.5
111.00871	0.7
113.02417	0.7
114.94917	0.6
115.92079	38.0
116.92860	100.0
117.92900	4.6
117.93641	0.9
140.92845	0.9
141.93681	2.8
142.94426	2.6
154.94386	0.7
156.92299	1.3
158.93895	1.1
169.93126	0.6
170.93901	1.1
174.93460	0.9
184.91885	3.5
185.92627	0.5
196.95464	0.9
198.93452	0.7
199.94101	0.6
201.07442	0.5
212.95006	0.6
224.95064	0.4
233.00963	0.5
241.95200	0.5
242.96036	2.0
244.97597	1.2
259.96185	2.2
298.79327	0.6
301.97430	1.3
531.20416	0.9
532.21448	0.7
533.22552	2.6
549.21277	0.8
575.23145	1.7
591.22137	0.8
661.27057	0.5
675.25189	0.9
678.27905	0.5
693.26111	1.7
703.27728	0.6
735.26959	2.8
753.28027	3.4
771.29443	1.5
772.29639	1.0
795.28503	0.7
813.29919	2.3
815.28680	2.2
857.28961	3.0
858.29163	0.8
901.27930	4.2
902.28467	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	900.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
62.97525	20.4
62.98533	27.7
64.20275	22.2
71.01391	41.3
71.53336	22.9
80.96501	27.9
96.96010	26.4
113.02400	25.3
116.92874	65.4
171.10280	25.8
187.07590	19.3
209.11829	100.0
225.11423	27.2
293.21274	33.0
397.13382	35.2
408.08835	22.8
476.51825	23.1
837.46466	31.7
900.46735	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4596
Annotation	Unknow
Peak:m/z	Relative Intensity
69.17152	100.0
71.01389	13.3
79.44384	9.6
83.50974	8.9
84.77808	8.6
88.98785	48.7
93.03439	9.6
96.96008	18.6
98.19917	18.7
116.92849	91.7
117.01945	13.8
171.10263	9.9
173.04634	11.1
207.10461	11.4
226.11661	12.5
285.08237	10.2
524.48242	9.6
603.44061	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	899.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
62.67501	0.5
69.03447	4.3
69.20625	1.2
69.21031	4.7
71.01379	13.8
71.05010	1.5
72.99299	1.9
73.02925	2.3
80.96509	0.7
81.03432	0.7
83.01375	1.6
85.02946	3.7
87.00896	2.9
89.02441	8.1
90.50436	0.6
95.01357	0.9
97.02927	1.7
97.06574	0.7
99.00878	0.7
101.02435	7.7
113.02444	4.4
119.03484	1.6
123.08163	0.9
125.02447	1.4
125.09716	1.9
131.03549	0.8
143.03473	0.8
151.11253	1.4
153.12819	1.0
161.04576	1.1
161.09677	2.3
167.21049	0.6
179.05563	0.9
179.09505	0.6
179.10762	5.3
197.11823	56.0
198.12192	2.8
211.13530	0.7
221.06645	2.2
223.09628	0.9
235.08110	0.8
241.10876	4.9
259.20645	0.6
277.21716	19.4
278.22052	0.7
312.19809	0.5
380.79291	0.6
397.13406	3.6
402.67352	0.6
415.14651	0.9
477.51666	0.6
639.25323	1.2
899.46436	100.0
900.46686	25.9
909.78278	0.6
911.55316	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
62.67501	0.5
69.03447	4.3
69.20625	1.2
69.21031	4.7
71.01379	13.8
71.05010	1.5
72.99299	1.9
73.02925	2.3
80.96509	0.7
81.03432	0.7
83.01375	1.6
85.02946	3.7
87.00896	2.9
89.02441	8.1
90.50436	0.6
95.01357	0.9
97.02927	1.7
97.06574	0.7
99.00878	0.7
101.02435	7.7
113.02444	4.4
119.03484	1.6
123.08163	0.9
125.02447	1.4
125.09716	1.9
131.03549	0.8
143.03473	0.8
151.11253	1.4
153.12819	1.0
161.04576	1.1
161.09677	2.3
167.21049	0.6
179.05563	0.9
179.09505	0.6
179.10762	5.3
197.11823	56.0
198.12192	2.8
211.13530	0.7
221.06645	2.2
223.09628	0.9
235.08110	0.8
241.10876	4.9
259.20645	0.6
277.21716	19.4
278.22052	0.7
312.19809	0.5
380.79291	0.6
397.13406	3.6
402.67352	0.6
415.14651	0.9
477.51666	0.6
639.25323	1.2
899.46436	100.0
900.46686	25.9
909.78278	0.6
911.55316	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
69.64529	2.7
70.02977	5.0
72.00910	2.0
72.04539	1.5
73.02939	0.8
74.02473	43.0
83.01387	0.6
86.75053	0.5
98.02476	8.3
98.19957	1.1
101.02423	0.9
111.90940	0.6
116.03555	9.2
116.05065	15.6
117.05399	1.1
130.06621	2.6
135.00882	0.6
142.06610	3.9
151.00378	2.1
159.09282	3.1
178.99739	1.0
183.09245	1.0
186.05574	0.6
187.03979	0.6
201.10226	3.4
203.08266	44.2
204.08556	2.3
211.03973	0.9
227.03497	18.3
228.03813	1.3
229.05035	2.1
245.09293	100.0
246.09634	7.5
255.00194	0.9
255.02968	26.6
256.03503	3.8
257.04364	2.0
283.02509	2.6
284.03238	44.6
285.03961	22.5
286.04227	3.9
287.04633	0.7
289.08478	0.7
429.08371	1.0
457.16541	0.6
609.14600	68.8
610.14862	14.3
610.23932	1.0
611.15149	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	899.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
65.01084	0.1
71.01370	0.1
79.95734	3.8
96.96010	100.0
97.93132	0.4
97.95954	0.2
98.20638	0.4
101.02470	0.2
113.02451	0.2
113.92609	0.4
114.93400	1.0
179.54010	0.1
272.55203	0.1
327.04245	0.1
384.45435	0.1
440.40851	0.1
593.33411	0.3
611.34637	0.4
612.34949	0.2
629.35480	0.2
653.35205	0.3
671.36761	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
74.81946	0.1
79.95737	4.3
96.96011	100.0
97.93146	0.4
97.95944	0.3
98.20073	0.6
98.20747	0.2
113.92616	0.3
114.93397	0.9
115.32744	0.1
129.38214	0.1
141.76128	0.1
305.17807	0.1
353.41364	0.1
363.03873	0.1
593.33752	0.3
611.34436	0.6
629.35339	0.2
653.35468	0.2
669.27063	0.1
671.36511	0.5
709.86127	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	898.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98526	47.4
70.18256	100.0
70.18657	75.1
71.01385	48.4
75.22364	40.4
88.98810	43.7
89.02404	49.5
91.43936	40.8
101.02478	44.0
103.88013	41.6
104.68699	43.2
163.70003	40.9
192.00020	47.8
205.27887	46.5
209.55513	40.0
213.52672	44.9
226.79628	44.6
244.41455	41.0
249.48511	40.5
277.21582	73.5
319.60016	45.6
911.26312	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.409
Annotation	Unknow
Peak:m/z	Relative Intensity
64.43672	0.7
70.27826	2.9
71.02494	1.8
72.00898	2.8
73.04069	5.7
74.02471	14.3
76.50517	0.8
77.75267	0.8
82.01722	1.8
82.02990	2.4
83.02503	2.7
84.00902	2.2
85.04077	1.0
93.03433	2.1
96.04532	1.6
97.00393	0.9
98.01213	1.3
98.02483	1.1
98.20547	1.1
99.02002	10.5
100.69909	0.8
105.01916	2.1
110.01180	1.0
111.01996	1.5
112.02772	3.6
112.87039	0.8
113.07188	1.1
115.08781	12.0
116.05058	22.7
117.05406	1.2
119.05014	2.5
123.09310	0.8
124.03998	1.8
125.03602	0.9
125.07198	7.5
127.05144	5.7
127.08780	2.2
128.03551	1.0
129.10332	9.3
130.06558	0.8
130.08757	2.2
131.03757	1.6
132.04541	1.1
134.06094	4.6
135.05621	2.1
137.07195	5.4
138.05614	1.4
139.05138	1.6
139.08749	4.0
140.07147	1.4
141.06699	7.0
141.10303	2.5
142.06633	7.2
143.08205	1.5
143.11876	5.4
144.04459	0.8
149.07127	0.9
151.05141	3.7
151.08778	6.1
152.05876	1.0
152.08261	1.5
153.06689	21.5
153.10352	0.9
154.07031	1.0
154.09824	1.9
155.07034	1.5
155.08264	28.7
155.11894	1.1
156.06853	0.9
159.09273	7.2
160.04019	1.2
162.05592	3.1
163.08817	0.8
165.06670	1.2
165.10278	1.8
166.09810	0.9
167.04819	0.8
167.08217	4.7
168.11391	2.6
169.09851	7.0
170.09338	20.2
171.09741	0.9
171.11455	0.7
172.10938	6.3
177.06644	2.3
179.04597	5.4
179.08176	1.5
181.09813	2.1
182.09183	1.1
184.07465	1.1
184.10870	2.4
186.05586	1.7
186.12473	6.4
187.10910	6.5
193.06137	1.8
194.09395	0.9
198.08855	4.3
198.53679	0.9
200.14008	1.7
203.08263	25.2
204.08499	1.2
205.06174	2.4
206.09311	1.3
207.07690	1.9
210.08801	2.2
212.14040	1.5
217.06203	1.4
224.10321	1.1
224.17528	0.8
227.11491	2.9
228.09859	1.1
229.13295	0.9
244.12941	2.2
263.11432	1.3
267.18219	2.5
272.17645	4.1
279.18454	0.9
281.12570	2.7
293.12421	0.9
298.15570	0.9
316.16574	5.0
328.50916	0.8
329.19839	4.7
333.15540	1.8
337.18634	0.8
369.16962	0.8
370.13910	0.9
373.18982	2.1
381.17902	1.3
387.16724	7.3
398.20615	1.1
428.26578	1.7
483.67551	0.8
498.23148	1.0
510.23514	8.2
527.26172	14.9
528.26398	3.0
529.27881	1.5
555.26050	0.8
679.10760	0.9
690.32434	10.8
898.40991	100.0
899.41382	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	100.0
71.54796	3.1
72.99331	3.3
73.02960	4.4
75.00877	3.3
78.95887	2.6
80.96529	4.2
83.01392	5.0
85.02956	6.4
87.00874	6.9
89.02436	19.7
94.98104	2.0
96.16836	2.1
97.02950	4.2
101.02439	17.4
109.06586	7.3
112.96546	2.0
113.02462	7.8
115.95935	2.3
119.03522	4.5
122.93479	2.1
125.02446	9.7
125.63763	1.8
127.11295	2.3
131.03456	3.0
159.38072	2.5
161.04549	2.7
171.10260	49.8
179.05620	3.3
199.09760	8.7
199.13499	2.3
201.11296	14.4
207.10246	18.6
221.11740	4.8
225.11299	13.1
235.08214	8.6
239.12839	2.4
255.23276	72.9
256.23566	3.2
277.21585	2.6
304.81412	2.4
379.12314	8.9
397.13489	41.7
398.13617	2.9
402.08612	2.3
415.14621	11.3
487.64383	2.2
577.68439	2.6
778.93170	2.5
861.48413	10.3
862.48151	4.3
879.49463	3.7
897.50311	17.8
898.48669	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	893.5268
Annotation	Unknow
Peak:m/z	Relative Intensity
68.11778	1.3
69.03444	1.7
70.02658	1.2
71.01384	89.7
72.99306	8.5
73.02944	11.5
75.00872	2.8
77.61600	1.3
78.95882	2.1
83.01384	8.4
83.05010	1.9
84.02183	1.6
85.02951	24.0
86.00098	3.6
87.00883	7.9
89.02447	47.0
95.01403	9.5
96.95996	1.6
97.02946	1.9
97.06639	1.7
99.00896	8.6
101.01792	2.5
101.02444	44.6
109.06575	1.5
111.00880	14.1
113.02452	49.5
116.92903	1.6
119.03512	22.7
123.00811	1.6
125.02465	1.9
129.01941	4.9
131.03476	3.1
137.09950	1.2
141.01970	7.0
143.03514	6.3
149.01251	1.2
149.04486	2.4
152.99626	1.8
159.02994	4.1
161.04567	14.3
171.10281	1.5
179.05618	8.3
245.19077	3.7
247.16884	2.7
248.17714	2.2
249.18593	100.0
250.18971	9.4
263.20160	6.7
265.18027	5.1
291.19534	1.8
383.20715	3.3
400.13629	1.4
452.23459	1.6
509.31339	6.4
559.01288	1.5
586.77051	1.5
609.32312	8.0
610.32904	1.6
627.34534	3.0
643.33142	17.7
644.33014	1.7
661.34332	16.4
682.52087	1.3
861.13287	1.3
893.52527	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	895.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
65.35358	1.1
69.80555	4.7
70.82529	0.9
71.02496	4.9
72.00895	3.4
73.04066	12.6
74.02471	12.9
82.02985	2.9
83.02528	6.1
84.00909	2.6
85.04063	5.8
87.05631	5.6
95.02509	3.0
96.04530	1.2
97.04060	2.4
98.17018	1.0
99.02007	41.4
99.05654	1.1
100.00376	1.4
103.00354	1.3
106.80775	0.9
106.81518	1.0
109.04090	2.3
110.02479	1.4
110.32352	0.9
111.02000	6.1
112.02792	2.1
112.04037	2.1
112.05165	3.8
113.03571	14.7
113.07188	1.0
115.05135	1.1
115.08766	9.4
116.05066	22.1
124.04021	1.7
125.03563	6.3
125.07195	9.6
126.05605	1.6
127.05144	12.6
127.08772	3.2
128.04643	1.7
129.03052	2.5
129.10362	1.3
130.06299	8.1
131.04649	7.6
135.05635	2.2
136.04025	1.5
137.07184	5.8
138.05618	1.6
139.05109	1.6
139.08795	2.0
140.07108	1.2
141.06709	11.1
142.06631	6.9
143.08167	1.4
144.07758	5.4
149.07167	1.7
151.05128	6.1
151.08751	2.0
152.04726	1.0
152.05937	1.5
152.08252	1.9
153.06696	29.6
154.09813	1.0
155.08264	7.8
156.04099	1.9
156.06786	1.7
157.07690	11.2
159.09261	4.0
163.08727	1.5
165.06735	1.6
166.06213	1.1
166.09807	1.6
167.04654	1.6
167.08282	6.1
170.05788	1.6
170.09341	23.2
171.09602	1.0
172.10896	3.5
173.09296	2.4
179.04646	13.3
179.08401	1.0
181.09796	1.1
182.09354	1.1
183.05646	5.3
184.07346	1.4
184.10913	1.8
186.05551	1.3
190.76602	1.1
192.07834	1.3
193.06172	3.2
194.09230	1.4
198.08873	4.7
200.08311	1.2
203.08275	18.9
206.09387	2.7
207.07741	3.5
210.08795	3.9
211.12004	3.5
214.09821	3.0
216.11449	6.7
223.11995	1.9
224.10379	2.1
227.11479	2.4
228.07788	1.9
228.11478	5.0
229.13095	1.7
230.11348	1.6
236.10281	1.1
241.13049	1.6
242.09319	2.0
253.13086	1.3
260.10446	9.1
263.11453	3.8
267.11002	2.0
273.13519	5.4
281.12521	8.7
285.13733	1.5
290.11520	1.3
293.12479	2.0
299.11523	2.9
317.12527	2.8
325.11313	1.4
339.14993	1.0
342.14081	1.5
372.20413	1.8
384.20529	1.4
398.18051	1.4
410.18408	9.5
442.17429	2.2
454.17456	6.6
471.19843	7.0
472.18716	1.4
484.18256	4.3
501.20993	8.5
505.01047	1.2
547.22992	1.9
657.28107	2.3
661.27179	2.0
687.29120	7.1
865.36603	18.7
866.36420	4.0
877.36938	3.6
895.37427	100.0
896.37531	28.0
896.54688	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	893.5266
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	84.7
72.99305	8.0
73.02934	11.7
75.00891	2.1
83.01378	6.3
85.02951	28.4
86.00082	2.7
87.00854	9.5
89.02448	48.0
95.01379	10.4
96.96022	4.7
97.02935	2.9
99.00882	8.4
101.02454	50.0
111.00896	14.0
113.01717	3.4
113.02454	48.1
116.92892	3.3
119.03506	30.7
129.01939	3.7
131.03491	3.6
133.27252	1.9
141.01939	4.5
143.03517	5.4
159.02965	3.9
161.04568	13.3
162.56490	1.9
179.05589	6.1
231.17615	2.2
234.68774	2.2
249.18590	100.0
250.18959	7.8
255.23361	4.6
263.20105	4.6
277.21869	2.8
352.07059	2.3
383.20505	3.8
485.27124	2.8
509.31253	4.8
609.32269	4.6
627.34375	3.2
643.33337	16.7
661.34271	14.5
662.35571	2.9
828.57556	2.3
870.61548	2.3
893.49866	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	893.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99568	0.5
70.26864	0.5
71.01362	1.0
72.99316	0.3
73.02944	32.4
74.03284	0.5
75.00875	0.6
85.02979	0.5
87.00860	0.3
89.02451	0.4
98.20618	0.2
99.00383	0.1
99.00877	5.7
99.92580	11.8
100.92576	0.5
101.02444	0.4
112.98553	0.7
113.02420	0.2
114.93414	0.5
115.00388	0.4
116.92860	100.0
117.01936	56.4
117.92870	5.3
118.02267	1.0
173.25816	0.2
195.05009	0.2
203.45195	0.2
259.43341	0.2
333.95123	0.2
474.52466	0.2
629.36035	0.3
775.41046	3.1
776.41278	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	893.4403
Annotation	Unknow
Peak:m/z	Relative Intensity
65.71725	0.2
68.99580	0.3
69.13314	0.2
71.01402	0.9
72.99332	0.2
73.02945	30.5
74.03272	0.3
75.00896	0.3
76.82808	0.2
85.02964	0.3
87.00870	0.2
89.02457	0.4
99.00880	5.1
99.92582	11.7
100.92578	0.7
101.02454	0.5
112.98569	0.2
113.02406	0.2
114.93427	0.6
115.00398	0.2
116.92863	100.0
117.01937	54.7
117.19118	0.2
117.92870	5.5
118.02272	1.0
219.36287	0.2
438.83224	0.2
481.28110	0.3
629.35455	0.5
775.28204	0.3
775.41321	3.1
776.40875	1.0
782.20227	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98526	5.2
69.03455	4.1
69.99979	14.0
71.01382	38.2
73.02951	8.0
80.96574	4.0
83.01373	7.4
83.65339	3.4
84.02144	2.9
85.02930	11.0
89.02427	10.1
95.01402	4.9
96.96024	5.7
97.02943	5.9
97.06602	5.0
101.02473	15.6
113.02409	12.0
134.04742	4.9
143.07123	9.2
152.26064	3.2
154.06143	4.0
161.04555	6.6
161.87679	3.5
167.10811	5.1
171.10287	12.0
179.05608	4.7
181.12328	5.3
195.13853	10.0
201.11241	4.2
201.16331	3.6
209.11801	5.4
209.96707	3.5
223.13312	18.2
251.20041	8.0
263.16522	18.1
271.80774	3.7
281.17578	100.0
282.17896	9.1
397.13525	5.1
611.34192	31.2
612.34674	3.6
629.35345	55.8
630.35315	7.5
893.49475	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	893.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98532	8.6
66.92777	6.1
71.01374	30.4
71.50093	6.2
71.53800	7.4
78.72628	6.7
80.91673	13.2
82.81479	6.8
85.02971	6.9
88.21159	6.1
89.02441	10.5
93.03413	6.9
93.04566	12.5
101.02456	8.3
113.02454	15.9
134.04735	27.7
137.03545	20.3
154.06212	100.0
168.70744	7.6
183.10316	12.7
261.14825	8.6
263.16315	14.8
265.18027	34.8
281.17636	11.0
501.27023	7.6
511.65723	7.8
584.74127	9.6
611.34473	16.9
627.33765	25.7
629.35095	16.7
645.35248	20.8
913.33209	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	893.5268
Annotation	Unknow
Peak:m/z	Relative Intensity
70.39884	8.0
71.01385	65.6
72.99326	3.9
73.02957	8.3
78.95921	3.5
83.01392	6.3
85.02941	22.5
87.00889	5.5
89.02447	45.8
94.24089	2.7
95.01392	8.1
96.96017	7.8
99.00880	3.6
101.02451	39.3
111.00916	4.9
113.02456	41.0
116.48888	2.4
116.92867	2.5
119.03497	25.6
125.02439	2.3
129.01984	2.5
143.03452	6.3
152.35913	2.5
156.56581	2.3
161.04559	8.9
169.02817	2.7
179.05563	5.2
201.44757	2.1
231.17606	2.3
249.18600	100.0
250.18869	4.7
270.35883	2.7
303.76392	2.2
305.25009	2.2
463.26904	4.5
481.28162	10.9
611.20209	2.0
622.29169	2.7
625.32196	14.1
643.33215	24.6
644.34161	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	892.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
68.24751	1.6
71.01382	100.0
72.99298	3.7
73.02934	6.7
83.01366	3.7
83.96971	1.7
85.02956	13.9
87.00872	2.3
89.02453	12.9
95.01388	3.0
96.04539	3.8
96.96026	14.1
96.99315	20.7
98.95609	12.4
98.96187	2.0
99.00878	4.9
101.02445	15.8
111.00857	2.2
113.02428	9.9
115.00379	13.7
119.03507	4.3
119.98391	1.8
120.01271	15.3
130.98076	2.6
138.66275	1.7
139.73412	1.7
140.03490	3.1
140.98277	8.5
155.17735	2.0
158.48407	1.8
161.04436	2.6
174.02362	3.5
218.01288	6.9
229.20682	2.7
261.87540	1.7
429.19263	1.9
432.46585	1.9
611.34137	4.0
629.35406	83.1
630.35760	14.8
636.90027	2.1
671.36261	3.7
727.35468	84.5
728.35699	14.0
893.40710	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	893.402
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	3.5
71.01382	100.0
71.13950	3.8
71.89941	1.7
72.99300	7.1
73.02946	30.5
75.00854	3.7
81.03431	1.9
83.01401	11.8
85.02951	31.9
85.19924	1.8
87.00868	8.6
89.02445	54.8
95.01393	10.8
97.02954	3.2
99.00869	4.7
101.01794	3.5
101.02441	60.5
102.17921	1.9
103.03999	3.5
109.06592	14.2
111.00861	2.3
113.01631	2.2
113.02448	44.6
119.03510	25.3
125.02477	8.2
131.03491	5.4
139.00360	2.8
141.01910	2.8
143.03513	9.5
145.05029	1.8
149.04523	3.3
155.03357	2.0
161.04543	10.4
163.06068	7.2
179.05664	12.4
187.02382	2.0
205.07098	7.6
303.23224	1.6
310.88022	1.6
311.16449	1.7
465.28311	7.3
466.28711	2.8
533.25781	5.6
609.32654	11.0
627.33826	28.2
628.33868	4.6
638.67938	1.9
645.34583	6.1
669.35376	3.1
670.37085	2.2
687.34253	2.3
755.35419	4.3
789.39197	28.4
790.39679	8.8
807.40295	23.8
808.39960	5.1
849.41443	10.7
850.41589	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	893.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03446	5.5
69.31272	4.3
69.31680	18.8
71.01384	100.0
72.99306	9.0
73.02946	41.2
75.00877	4.6
81.03410	2.4
83.01383	14.2
85.02958	39.7
86.00090	4.1
87.00890	23.1
87.04503	4.0
89.02444	60.8
95.01383	10.3
96.96021	4.0
97.02956	6.4
99.00910	6.7
99.71561	2.4
101.02442	71.7
103.04018	13.4
109.06587	10.1
111.00887	6.7
113.02449	41.7
115.04001	7.7
116.94247	2.4
119.03512	24.2
120.01274	3.2
123.00832	2.7
124.01643	2.6
125.02454	19.5
127.04044	3.0
129.01918	3.6
131.03487	14.5
139.00327	4.9
141.01947	3.2
143.03508	20.1
145.05002	7.4
149.04633	3.4
161.04539	8.6
162.10855	2.3
163.06111	25.0
179.05585	7.8
187.02393	3.7
191.05556	3.4
205.07195	26.8
247.08183	2.6
451.98849	2.7
469.67993	2.4
533.26227	3.4
556.21600	2.7
625.32928	4.2
627.33636	14.7
643.33466	6.9
645.35358	6.0
755.34338	2.8
771.38202	9.1
789.39392	37.2
790.39642	9.2
807.40070	16.0
849.41248	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	889.5679
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99786	0.5
69.03454	0.9
71.01381	27.0
72.99319	1.3
73.02950	5.8
83.01382	3.6
85.02947	13.2
86.00107	0.9
87.00885	1.7
89.02448	10.5
95.01390	3.4
97.02948	1.3
98.20761	0.7
99.00881	3.3
101.02444	15.6
111.00887	1.4
112.01653	0.6
113.02442	17.3
114.02821	0.5
115.04028	0.6
119.03509	5.0
124.01657	1.7
125.02444	2.3
127.65111	0.4
129.01984	0.9
130.28058	0.5
131.03494	0.8
136.62411	0.4
143.03514	4.3
146.27353	0.5
159.03003	1.6
161.04558	5.7
179.05635	1.5
211.67763	0.4
275.20172	0.5
277.21713	100.0
278.22009	8.4
449.28979	1.9
460.74261	0.5
467.30069	6.7
468.29901	0.6
537.30682	0.7
563.31750	0.5
575.32495	1.0
581.33496	0.8
611.34314	72.6
612.34705	13.2
629.35382	42.5
630.35754	8.1
768.51703	0.5
889.57068	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	892.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
67.96079	0.8
69.28826	7.6
71.01379	3.4
71.02492	2.7
72.00916	2.5
73.04080	5.6
74.02477	5.5
74.39782	0.9
82.01722	1.2
82.02979	1.5
83.02493	1.4
84.00921	1.6
85.04073	1.4
87.00906	1.0
87.05643	2.0
89.02431	1.1
95.02515	1.7
96.04554	0.9
96.21019	0.9
96.96007	6.9
97.04092	1.2
98.95587	1.0
99.02006	17.0
99.05637	1.7
101.02462	1.7
109.04054	1.0
109.19994	1.1
111.01988	2.0
112.05158	2.1
113.03573	4.9
113.07214	1.8
114.32002	0.8
115.08767	5.7
116.05061	12.4
118.06644	2.1
121.54814	0.8
124.50740	1.0
125.03539	2.3
125.07217	4.3
127.05123	4.1
127.08821	1.0
128.03542	1.5
129.10320	1.0
130.06174	4.9
131.03668	0.9
131.04610	4.6
135.27008	0.8
137.03551	1.0
137.07166	2.2
139.08794	1.3
141.06674	4.6
142.06599	3.0
144.07802	1.9
146.06187	1.5
150.45132	0.9
151.05096	2.6
152.08298	1.1
153.06689	16.9
155.08301	4.5
157.07677	3.1
159.09216	1.5
161.07127	1.1
167.08264	3.6
170.09363	9.7
172.10864	4.7
173.07144	1.7
173.09407	1.9
178.06189	1.1
179.04622	3.1
182.09261	1.9
185.07146	1.1
186.05655	1.5
186.12549	1.3
187.05116	3.6
188.06918	1.1
189.06657	2.7
191.05635	2.1
193.06192	1.5
198.08875	1.4
201.06761	1.5
203.08266	11.5
206.09369	3.2
207.07637	1.2
210.08757	2.0
211.12025	1.0
212.08376	0.9
216.11417	3.5
224.10355	3.5
228.11562	1.7
235.55931	1.0
255.10902	0.9
256.14447	1.3
260.10220	4.2
267.44199	1.0
273.13538	4.8
290.11417	1.0
299.11392	1.8
299.14914	1.4
310.15359	0.9
317.12466	1.9
317.16132	2.1
353.16104	1.5
367.18219	0.9
371.17181	4.2
372.20514	2.8
410.18146	1.1
416.19135	1.1
454.16928	2.6
471.19934	5.6
473.22110	1.2
484.18115	1.0
501.21054	2.8
508.21622	1.0
618.26288	1.5
645.34235	1.2
648.27362	5.3
649.28387	1.2
789.39191	2.7
801.84882	1.3
807.40210	1.8
826.35132	3.5
827.35315	1.4
838.34521	1.4
849.43561	1.0
856.36328	100.0
857.36481	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	889.5677
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01878	0.6
69.03458	1.0
71.01383	28.3
72.99312	2.1
73.02950	5.8
81.47791	0.4
83.01374	3.2
84.02174	0.5
85.02949	13.7
86.00089	0.6
87.00874	2.2
89.02445	10.6
95.01376	3.5
97.02960	1.2
99.00883	2.9
101.02437	15.2
106.93587	0.4
111.00873	1.8
113.02449	18.0
115.04015	0.5
119.03488	4.8
124.01658	1.1
125.02425	2.3
129.01949	1.0
131.03500	0.5
141.02025	0.5
143.03500	4.0
159.02972	1.4
161.04561	5.8
179.05647	1.0
195.28197	0.5
229.56039	0.7
233.22664	0.5
259.20557	1.0
275.20218	0.9
277.21716	100.0
278.22055	9.6
297.40323	0.4
375.49811	0.5
449.29108	2.5
467.30225	6.0
468.30649	0.5
488.25204	0.5
537.30688	0.6
549.56189	0.4
575.31976	1.0
581.32324	0.6
611.34302	68.1
612.34674	11.9
629.35413	38.6
630.35773	6.6
837.20215	0.5
889.56793	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	0.4
71.01370	1.9
73.06122	0.3
78.95902	8.5
79.95736	4.2
85.02922	0.4
85.91740	0.2
87.00898	0.3
89.02479	0.2
94.98095	0.4
96.96012	100.0
96.96921	9.5
99.00903	0.3
101.02442	0.8
111.00934	0.4
113.02490	0.3
155.76416	0.3
156.42476	0.2
191.05640	0.7
207.10265	0.3
229.37634	0.3
243.12276	0.3
244.12700	0.3
304.46835	0.3
352.33359	0.3
370.06760	0.3
424.17004	0.3
451.49765	0.3
504.90771	0.3
557.26617	0.3
611.34039	0.9
629.35510	1.1
791.40955	1.4
792.41583	0.4
830.33380	0.3
889.46924	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	0.5
70.96873	0.3
71.01378	0.4
78.95905	8.5
79.95734	3.9
89.02464	0.2
94.98094	0.4
96.96014	100.0
96.96920	10.8
97.95932	0.4
111.00880	0.1
208.35721	0.1
228.97227	0.2
281.35284	0.1
791.40509	0.8
792.41547	0.2
829.35437	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	6.3
63.25252	0.7
69.03453	1.1
71.01383	14.0
71.54107	1.3
72.01715	0.8
72.99326	1.4
73.02950	2.3
75.00809	0.8
78.95898	6.0
81.03454	1.0
83.01375	2.2
85.02947	4.1
86.54240	0.7
87.00873	4.4
89.02446	12.6
95.01383	1.2
96.96018	2.4
97.02948	2.8
99.00927	1.0
101.02436	12.4
113.02447	6.5
119.03506	3.6
125.02457	7.9
125.09652	0.9
127.11277	2.1
139.36827	0.7
143.03514	3.2
152.99588	6.4
161.04539	3.9
171.00650	1.9
171.10268	100.0
172.10602	3.7
179.05653	4.2
221.06659	1.4
235.08170	6.9
245.04330	6.5
252.05289	0.8
253.21790	2.6
259.08090	1.1
277.21719	60.8
278.21991	5.1
280.97638	0.7
287.07767	1.7
305.08829	2.2
323.09720	1.4
379.12430	15.7
380.12488	1.7
397.13483	40.6
398.13834	3.4
415.14575	8.0
416.14777	1.0
481.25690	13.8
482.26407	2.0
491.97513	1.0
551.23505	4.2
552.24341	0.9
569.24506	4.4
619.75885	0.8
657.34888	0.9
675.36237	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	886.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	6.5
69.03438	0.8
69.32364	5.5
71.01012	1.1
71.01378	15.8
72.99302	1.5
73.02963	4.6
75.00832	0.8
78.95911	1.7
83.01383	1.1
85.02953	17.0
87.00870	2.1
89.02431	2.8
95.01411	1.1
96.96006	2.0
97.02956	2.2
99.00900	1.9
101.02448	13.1
113.02457	6.6
119.03451	1.5
119.58620	0.8
122.32699	0.6
125.02405	1.5
143.03481	1.5
144.79851	0.6
150.14381	0.7
161.04538	1.3
191.05643	1.0
250.75493	0.8
301.21875	1.7
303.23322	7.8
319.22702	1.9
345.24216	1.3
445.26443	0.8
463.26923	8.7
481.28046	20.3
482.28400	3.8
505.28079	21.1
506.28574	2.6
523.29114	100.0
524.29517	15.4
565.30310	5.0
566.30353	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98812	2.2
66.58268	1.7
71.01383	89.0
71.20730	1.9
72.99317	9.5
73.02960	10.2
73.25140	1.3
75.00890	1.6
83.01396	8.5
85.02956	20.1
86.00089	3.0
87.00887	9.0
89.02445	68.9
91.15016	1.4
95.01380	5.9
96.96015	4.7
97.02946	3.2
99.00882	7.8
101.02445	51.9
111.00885	13.1
113.01717	2.6
113.02460	33.3
116.01996	1.5
119.03501	35.7
129.01945	6.6
131.03465	3.5
141.01953	9.7
143.03500	5.2
149.04489	3.5
159.03011	10.9
161.04556	12.8
163.11295	3.4
179.05606	11.9
181.12335	6.3
207.10249	14.1
225.11311	16.7
251.64075	1.4
319.13892	1.4
349.53818	1.8
377.54446	1.5
383.20621	4.7
481.27979	2.8
483.29346	2.4
499.28925	2.4
542.24445	1.6
627.33862	14.4
628.34460	2.4
643.33423	6.8
661.34381	100.0
662.34613	19.9
760.56580	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	886.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	4.5
62.72049	0.5
66.90955	0.6
69.03465	1.3
69.45795	3.8
71.01382	14.4
72.99314	1.5
73.02937	5.0
73.99736	0.5
75.00848	0.9
78.95916	0.8
83.01379	2.2
85.02950	15.7
87.00892	0.9
88.81562	0.5
88.98786	0.6
89.02441	3.6
95.01366	1.2
96.96019	1.1
97.02947	2.2
98.20682	1.1
99.00878	1.7
99.04531	1.3
101.02443	13.7
113.02438	6.8
115.92091	0.6
116.92888	0.6
119.03479	1.7
124.01659	1.4
125.02454	1.8
142.16341	0.5
143.03516	1.3
149.53195	0.7
161.04543	1.3
179.05611	1.2
208.10840	0.7
301.21780	1.3
303.23248	7.3
304.23553	0.6
313.58017	0.6
319.22763	1.9
327.93405	0.7
336.12854	0.9
341.49234	0.6
345.24246	0.9
463.27075	7.4
464.27426	0.9
481.21411	1.2
481.28052	17.1
482.28232	1.7
505.28058	18.1
506.28180	2.5
508.12894	0.6
523.29095	100.0
524.21997	1.2
524.29468	14.6
565.29919	5.3
566.30676	0.9
607.31079	1.0
632.93939	0.7
676.02026	0.7
686.81995	0.6
887.35950	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.4656
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
63.86898	0.2
71.01389	0.4
71.54394	0.3
89.02460	0.3
89.81680	0.2
92.63850	0.2
103.55050	0.2
124.33660	0.2
134.04738	1.2
197.99648	0.2
209.11844	1.5
225.11440	0.4
277.21765	0.8
279.23123	0.2
397.13602	0.3
478.98004	0.2
591.81055	0.3
757.19916	0.3
865.10010	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
69.96917	0.3
69.97190	1.3
79.95737	3.6
95.47779	0.2
96.96009	100.0
97.95950	0.5
98.19911	0.3
151.00320	0.6
178.99774	0.3
218.13139	0.3
239.11351	0.3
243.03043	0.5
271.02481	4.6
272.02847	0.4
299.01962	9.1
300.02615	1.6
301.03580	1.9
462.08017	2.1
625.14240	1.5
640.02191	0.3
663.09766	0.3
787.19348	6.8
788.19830	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	885.4845
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	2.9
69.03450	0.9
69.21887	1.3
69.22314	1.7
71.01379	13.8
71.43881	0.3
72.99316	1.3
73.02970	2.1
75.00879	0.4
78.95916	1.0
79.95762	0.5
80.02682	1.1
80.96519	1.4
81.03458	2.0
83.01399	2.1
83.05023	5.0
84.02207	0.6
85.02957	3.4
87.00889	3.0
89.02444	11.1
93.03439	0.3
95.01389	1.0
95.05034	0.7
97.02935	2.5
97.06611	0.4
98.20631	0.5
99.00854	1.0
101.01798	0.5
101.02448	9.0
104.75592	0.3
109.02969	0.4
113.02448	6.5
113.67961	0.3
119.03489	2.7
125.02450	5.2
125.06082	0.6
131.03505	0.6
133.05069	0.5
135.08154	0.9
139.03969	0.6
143.03537	2.4
148.99170	0.3
149.04543	0.5
152.99573	0.5
161.04570	2.9
163.11302	4.5
165.12885	2.2
167.03398	0.4
179.05600	4.2
181.12292	0.6
191.10738	0.8
209.11812	100.0
210.12160	5.8
217.07129	0.6
221.06616	1.5
225.00752	0.3
227.12880	11.1
228.13187	0.6
235.08191	4.7
245.06731	0.4
251.12909	0.4
253.09149	0.8
263.07550	0.4
277.21704	41.0
278.22040	3.1
287.07599	1.6
305.08786	1.8
323.09769	0.9
379.12335	4.3
380.13040	0.3
397.13483	30.3
398.13943	2.5
415.14551	7.1
416.14679	0.7
587.76898	0.3
607.26038	1.2
709.37451	0.4
710.38788	1.1
747.27875	0.3
885.47711	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	881.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98806	0.2
63.08981	0.2
71.01367	0.7
72.99306	9.1
73.02921	0.4
75.00864	4.4
82.48524	0.2
87.00878	0.8
87.94331	0.2
93.13177	0.2
98.19775	0.4
99.00826	0.2
100.46716	0.2
101.02435	0.4
103.00363	6.3
104.00698	0.4
105.01931	100.0
106.02253	1.4
106.96629	0.2
110.24117	0.2
113.02426	0.3
116.92844	0.5
117.01948	0.3
219.28192	0.2
229.04010	0.3
237.10013	0.2
775.41351	2.8
776.41705	0.7
777.42212	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
61.91599	0.3
61.98809	0.4
63.02396	0.9
65.00330	0.8
65.32110	0.3
67.01891	0.5
68.07948	0.3
71.53564	0.5
80.57471	0.3
83.01379	0.8
85.02945	0.6
93.03468	1.0
101.02438	0.3
107.01391	1.8
111.00880	10.7
117.03487	0.9
129.01898	0.3
132.02171	0.4
135.00891	0.8
151.00389	5.8
152.01144	0.6
153.01804	0.3
155.04993	0.6
159.04498	0.5
163.00392	0.8
167.05008	0.4
169.01389	0.7
169.06577	0.4
171.04466	0.4
178.99850	1.7
183.04521	2.3
185.02507	0.4
185.06033	0.8
187.04015	1.0
189.05690	0.3
191.05605	0.4
195.04520	0.3
199.04005	0.6
211.03976	2.8
213.05528	1.1
214.02704	0.5
215.03589	0.5
227.03494	24.1
228.03807	1.7
229.05029	2.6
239.03561	0.9
240.04268	0.4
241.04996	0.5
242.02269	0.3
243.02922	0.6
255.02980	52.1
256.03464	6.0
257.04550	3.2
267.03146	0.5
270.01553	0.3
271.02515	2.2
279.40997	0.3
281.04550	0.6
283.02478	33.8
284.03241	56.0
285.03995	44.2
286.04376	3.2
297.03854	0.3
299.01990	4.7
300.02615	0.8
301.03674	0.4
309.04089	0.4
312.02603	0.3
326.04343	1.1
327.05084	1.1
339.05237	0.5
351.05002	0.3
387.16583	0.3
395.07779	0.4
429.08377	1.2
446.08640	0.7
447.09308	1.9
448.09744	0.4
461.07376	1.6
462.07910	2.3
522.78497	0.3
523.12531	0.3
558.10388	1.0
609.14587	100.0
610.14899	16.3
610.25043	0.6
623.12134	0.3
624.13562	0.4
651.15503	0.7
721.17401	0.8
753.18854	0.4
771.20148	2.2
786.18787	1.1
805.84186	0.4
883.23218	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	12.5
63.14056	0.9
65.54715	1.0
69.03450	3.1
71.01379	30.1
71.05029	1.3
71.52700	1.8
72.99286	1.4
73.02949	5.3
78.95882	1.2
80.18768	1.1
83.01382	3.6
83.05083	1.2
85.02949	12.7
86.80779	1.1
87.00887	1.9
89.02451	9.8
93.04581	1.2
93.07074	1.6
95.01367	3.8
96.55182	1.0
96.78223	1.2
96.96011	11.5
96.96944	1.2
97.02947	1.0
98.93806	1.1
99.00868	3.1
101.02447	14.4
102.02831	1.4
104.13029	1.1
113.02454	17.8
119.03489	4.0
121.06590	3.8
124.01650	3.1
125.02438	4.6
139.07651	100.0
140.07964	2.4
143.03503	4.1
154.06223	2.9
155.06610	1.5
161.04478	2.7
208.22366	1.1
209.11815	16.1
227.12843	3.6
274.03439	1.1
360.38333	1.1
449.28821	1.6
467.29907	3.8
593.33606	8.6
611.34375	82.6
612.34882	11.1
629.35449	53.0
630.35370	9.4
653.35419	4.5
656.50452	1.2
671.36511	15.3
672.36774	4.2
721.61230	1.3
837.43286	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	881.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	7.5
62.10763	0.9
69.03448	3.0
71.01383	28.3
71.05021	2.7
72.99300	1.5
73.02939	6.4
81.79838	0.9
83.01387	2.7
85.02943	11.9
87.00882	2.6
87.93494	0.9
89.02438	9.9
93.07104	1.4
95.01386	2.6
96.96008	18.0
97.02933	1.4
98.20271	6.0
99.00874	3.0
101.02441	15.4
113.01717	1.6
113.02457	17.6
119.03513	3.6
121.06606	5.7
124.01656	1.9
125.02455	5.2
128.53336	1.1
139.07652	100.0
139.93170	0.8
140.07967	3.0
143.03517	4.9
154.06216	2.2
155.06482	0.9
159.03006	0.9
161.04532	4.1
165.12802	1.1
209.11797	4.1
244.80824	1.0
274.24338	1.0
449.28915	1.8
467.30069	3.0
501.20767	1.1
575.32294	1.3
593.33221	8.5
594.33740	1.3
611.34369	76.2
612.34729	13.1
629.35413	52.4
630.35345	7.5
653.35382	2.8
671.36566	15.2
672.37036	1.9
837.42322	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	881.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	0.9
65.97577	0.2
68.49207	0.2
69.45620	1.4
71.01382	0.8
73.02931	0.2
80.01721	0.2
85.02955	0.3
87.00871	0.7
88.00420	0.6
88.98806	100.0
89.02440	1.8
89.99129	1.1
98.20651	0.2
101.02438	0.6
113.02431	0.3
181.83792	0.2
262.73355	0.2
303.92297	0.2
372.87866	0.2
410.41666	0.2
629.35492	0.3
782.80176	0.2
791.40692	1.9
792.40942	1.3
793.41595	0.4
896.01605	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	2.1
67.87180	0.2
69.32948	0.8
69.33367	1.1
71.01387	0.5
73.02934	0.2
73.04678	0.2
85.02956	0.3
87.00913	0.2
88.98804	100.0
89.02451	0.6
89.99145	1.1
98.05474	0.2
113.02449	0.5
130.15070	0.2
327.27008	0.2
350.71017	0.2
416.79144	0.2
791.40619	1.3
792.41022	0.7
793.41760	0.5
870.70618	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.5317
Annotation	Unknow
Peak:m/z	Relative Intensity
61.40727	0.6
61.98828	4.3
69.66728	3.7
71.01382	20.5
71.05016	2.3
72.99300	1.4
73.02945	3.8
75.00838	0.6
83.01390	2.6
83.04997	0.8
85.02946	9.1
87.00874	1.9
89.02444	8.6
91.18045	0.6
91.44782	0.6
95.01374	1.5
97.02911	1.2
99.00872	2.7
101.02435	12.1
111.00856	1.6
113.02441	10.2
119.03482	3.9
124.01615	0.9
125.02460	1.4
129.01939	0.7
141.01744	0.7
142.56415	0.6
143.03484	2.7
149.13332	1.8
152.94287	0.8
159.02974	1.0
161.04541	3.5
163.14917	2.2
167.14622	0.6
179.05592	1.2
181.12347	1.7
187.11270	0.7
189.12871	0.7
195.13930	0.7
203.18022	6.6
207.13895	28.6
207.15878	1.4
208.14253	2.2
229.15901	0.8
247.14493	1.6
247.17024	30.0
248.17354	2.7
265.18069	100.0
266.18448	9.8
281.13379	0.6
364.47873	0.7
449.29150	1.3
467.30048	5.8
611.34308	41.0
612.34674	7.1
627.30359	0.7
629.35413	48.5
630.35712	10.2
877.46893	1.5
878.50861	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.5318
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	4.0
69.03456	2.0
70.66176	1.3
71.01381	21.6
72.99288	1.3
73.02948	3.9
78.95898	1.9
80.96516	0.9
83.01381	3.1
83.05002	0.6
85.02950	10.3
87.00865	1.8
89.02443	8.9
95.01367	2.1
95.05019	1.1
97.02950	1.1
97.06579	2.5
99.00882	2.6
101.02437	11.2
111.00882	1.6
111.08193	1.2
113.02445	11.0
115.04048	0.7
116.92838	1.6
119.03500	4.0
121.10224	4.6
124.01588	0.8
125.02448	2.0
125.06061	1.6
127.07629	0.6
129.01956	1.3
143.03461	2.2
143.06006	0.8
143.07140	14.5
149.09726	1.2
149.13348	1.5
151.11269	1.1
152.99564	2.5
155.07140	2.8
157.08600	0.7
159.02969	1.1
161.04550	3.2
165.02054	0.6
167.10770	12.3
168.11063	0.8
171.10251	0.9
177.09146	0.8
179.05545	1.4
195.10228	3.5
195.13924	2.3
203.17967	2.7
207.10452	0.7
207.13977	0.8
209.11736	0.7
221.18953	0.9
225.11336	0.8
247.17007	19.7
248.17393	1.9
252.25447	0.6
265.18063	100.0
266.18420	8.6
277.21649	1.6
375.08621	0.5
449.29016	1.7
467.30063	4.3
468.30737	0.9
575.32281	0.8
611.34302	42.7
612.34607	8.8
629.35382	57.5
630.35785	9.4
877.47583	1.2
878.47321	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98842	0.6
70.45043	0.5
71.01383	5.6
72.99300	1.0
73.02958	3.7
75.00872	26.4
80.24213	0.5
83.01381	1.3
85.02937	2.2
87.00887	1.1
89.02456	1.8
90.17403	0.5
95.01384	2.0
98.20293	4.6
99.00880	1.8
99.40547	0.5
99.92569	0.8
101.02438	3.6
102.02763	0.6
103.00373	100.0
103.03979	2.0
104.00684	1.2
104.03502	1.0
111.00935	0.9
113.02431	3.2
113.22128	0.5
113.41567	0.5
116.92864	7.6
117.01928	3.5
117.92938	0.5
119.03490	0.8
125.02458	1.3
127.00368	0.7
398.51263	0.6
577.12604	0.6
613.36438	0.6
629.35461	1.3
631.36475	1.6
637.24188	0.6
731.06555	0.7
741.36511	3.5
761.38812	0.7
775.41431	9.2
776.41071	3.1
878.41583	0.8
879.41412	11.2
880.42810	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	879.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98810	2.1
63.96227	1.8
71.01385	11.8
73.02946	3.1
78.95919	2.8
78.98602	7.9
79.95737	24.5
80.96514	100.0
85.02945	3.3
87.00880	4.6
94.98087	21.0
96.96011	2.1
97.02993	2.6
97.27438	1.6
101.02442	2.3
106.98080	4.4
122.97560	5.8
125.02418	4.0
127.03954	2.1
134.97540	7.5
148.99103	8.0
152.98611	4.8
164.98613	16.4
195.76012	1.3
206.99611	4.5
217.28780	1.5
225.00720	27.0
255.23128	2.6
283.04773	2.5
537.27478	2.0
879.51208	98.4
880.51288	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	879.5473
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	2.2
63.08545	0.7
64.07329	0.6
69.03431	0.8
70.11967	0.6
71.01380	50.4
72.99302	2.8
73.02942	8.2
75.46316	0.6
78.95889	1.0
79.95722	0.8
80.96540	4.0
80.96935	0.9
83.01374	5.1
83.05019	0.9
85.02454	1.4
85.02948	20.8
87.00861	6.0
87.04509	1.9
89.02440	18.2
91.61521	0.8
94.98080	1.0
95.01373	5.3
97.02930	2.0
99.00874	4.1
101.01797	1.5
101.02444	24.7
111.79453	0.7
112.01573	0.7
113.02449	26.2
119.03489	7.0
120.73505	0.7
124.01668	1.5
125.02428	4.8
129.01961	0.8
131.03456	0.9
141.33452	0.7
143.03502	5.0
147.53841	0.7
159.02963	1.8
161.04550	9.1
177.16479	0.8
179.05626	4.5
199.59387	0.9
205.19699	0.9
225.00635	1.2
231.17569	1.6
249.18576	79.8
250.18927	4.5
251.20045	1.0
251.94214	0.8
313.33783	0.7
359.83847	0.8
467.30148	11.2
467.36401	1.4
468.30203	1.0
485.31180	15.6
486.31656	1.3
505.09235	0.8
538.73053	0.7
591.21259	0.8
593.33167	1.6
629.35406	100.0
630.35748	15.4
645.34900	0.9
647.36420	52.3
648.36761	8.8
685.04266	0.8
687.31378	0.8
879.48041	4.5
880.48669	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	877.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01877	3.6
68.99548	4.0
69.03453	10.3
69.44997	5.9
69.45425	7.3
69.79346	1.5
71.01380	56.6
72.99294	7.8
73.02948	12.9
75.00884	8.5
79.01894	7.2
81.03451	3.9
83.01386	26.0
85.02459	2.3
85.02952	31.1
87.00860	5.2
89.02444	22.0
95.01392	62.6
97.02972	3.6
98.20617	2.7
99.00867	14.2
101.02435	39.2
102.69254	1.7
107.01421	2.4
109.03024	1.8
111.00871	10.9
113.01711	3.2
113.02452	42.1
119.03484	7.8
123.00854	2.5
125.02453	26.1
127.00375	12.2
129.01910	4.8
129.71579	1.9
139.00378	42.0
141.01987	2.2
143.03471	4.2
151.00319	8.1
157.01421	4.6
161.04543	4.4
166.16873	1.8
169.01427	9.7
229.03502	11.1
247.04524	4.0
303.23325	3.1
404.94531	2.1
467.30362	3.8
611.34277	13.7
612.34692	2.0
629.11755	2.2
629.35382	54.7
630.35443	9.2
697.34515	6.0
698.34216	2.1
735.51593	2.2
739.35468	100.0
740.35956	19.9
769.36462	18.1
770.36761	4.2
775.41217	5.2
776.41895	2.6
781.36627	8.9
791.41345	2.5
877.40704	46.8
878.40900	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	877.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	2.6
69.03427	5.2
71.01381	79.3
72.99310	4.3
73.02953	15.1
78.66304	2.1
83.01379	13.4
85.02952	30.6
87.00883	10.4
89.02448	37.5
95.01390	11.1
97.02947	7.3
98.20139	11.4
99.00860	6.8
101.02444	41.9
111.00859	5.5
113.02440	33.7
119.03493	11.5
124.01647	4.0
125.02460	14.8
129.01982	3.1
143.03476	6.0
159.02916	2.4
161.04576	11.2
179.05609	4.8
203.05487	2.7
221.06563	3.3
246.13109	1.9
352.82443	1.9
373.51999	2.1
374.62997	2.4
481.28030	3.6
512.02802	2.0
611.34363	17.1
612.34930	2.2
629.35388	22.0
630.35974	5.9
640.66388	2.4
739.35229	4.0
773.39618	100.0
774.39972	21.1
791.40613	77.0
792.41357	15.4
833.41626	17.5
834.41589	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	877.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
67.82465	2.1
67.82872	1.9
69.03461	3.9
71.01382	62.4
72.99313	5.6
73.02948	35.8
83.01393	8.2
85.02950	34.0
86.00113	3.8
87.00881	19.3
87.04519	7.0
89.02448	28.4
95.01414	5.3
97.02965	6.2
98.20662	5.7
99.00905	3.1
101.02441	48.2
103.03983	10.5
107.83382	1.8
112.66578	1.8
113.02439	18.6
115.04019	6.8
119.03508	8.7
124.01699	3.2
125.02434	17.1
131.03510	13.1
143.03481	13.5
145.05125	3.5
146.10730	2.2
161.04565	3.7
163.06125	23.3
187.02463	6.3
205.07230	12.5
231.16081	3.4
298.07980	2.1
380.00473	2.2
478.46912	2.6
483.29773	3.2
512.04877	2.2
611.34137	3.2
627.33783	6.7
629.35394	6.2
645.34808	9.5
773.39575	100.0
774.40021	24.3
791.40747	74.0
792.41260	15.1
833.42181	13.8
833.55493	2.4
834.41956	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	877.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	3.5
67.01891	2.0
67.36236	1.6
69.03450	2.8
69.39916	8.9
69.40345	4.4
71.01013	2.8
71.01382	39.2
72.99312	2.9
73.02926	5.6
78.95895	2.4
80.20049	1.7
83.01381	3.3
85.02953	16.5
87.00858	5.2
89.02438	21.0
95.01369	4.8
97.02941	3.0
99.00870	3.4
101.02451	21.6
113.02452	23.1
116.92841	2.7
119.03491	12.1
125.02387	1.9
142.83943	1.8
143.03464	4.3
149.76381	2.0
155.85980	2.0
161.04524	6.4
161.09734	2.7
179.05600	3.6
179.10759	4.2
195.97391	1.8
197.11818	50.6
201.06070	1.9
209.11896	1.9
221.06737	3.2
241.10777	3.3
249.18587	55.0
250.18970	6.1
255.23271	25.8
255.25833	2.4
265.17990	3.6
421.33850	2.0
440.11237	1.7
465.28757	3.0
483.29590	5.7
627.33850	48.8
628.34052	8.6
645.34741	30.4
646.35449	4.7
877.48022	100.0
878.48352	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	877.5317
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	3.5
68.99851	0.8
69.03450	2.1
69.19003	0.9
70.96814	2.3
71.01384	55.6
72.99294	4.9
73.02944	6.1
75.00857	1.2
77.67516	0.8
78.95889	1.4
83.01391	6.2
83.05031	0.9
85.02954	22.5
87.00867	4.3
89.02447	26.6
95.01401	4.7
97.02954	3.1
97.06577	1.9
99.00911	4.1
101.02442	28.3
111.00904	2.1
112.01634	1.2
113.02449	32.8
119.03506	12.5
124.01688	1.9
125.02438	2.8
127.07670	1.5
129.01930	1.7
136.89108	1.0
143.03497	6.8
152.99557	1.6
159.02953	1.7
161.04536	7.6
171.10272	1.0
179.05621	4.5
179.07040	0.9
205.08566	1.0
245.19110	1.0
247.17035	1.9
249.18590	89.8
250.18867	7.4
255.23209	2.3
265.18079	11.5
465.28513	12.5
466.29111	1.4
467.30035	1.2
483.29633	16.2
484.30093	2.5
591.31537	2.0
611.34235	7.4
612.34705	1.2
627.33844	100.0
628.34094	17.7
629.35657	4.5
645.34882	54.9
646.35132	8.8
877.53339	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	877.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	4.9
71.01382	48.7
71.52842	0.7
71.53221	1.3
72.01711	1.0
72.77164	0.7
72.99299	3.4
73.02950	7.7
75.00861	0.8
78.95908	1.3
80.91670	1.1
81.44421	0.8
83.01389	3.9
84.02187	1.1
85.02448	1.5
85.02952	20.1
87.00903	4.0
89.02449	26.5
95.01373	5.9
97.02915	1.4
99.00865	3.0
101.02446	23.2
111.00862	1.0
112.01644	0.7
113.02453	37.5
116.92854	1.5
118.92812	0.6
119.03501	11.2
121.90637	0.7
124.01664	1.8
125.02452	2.7
129.01967	1.8
131.03485	1.7
143.03503	6.1
149.04581	1.5
159.03027	1.4
161.04556	10.9
175.49142	0.7
179.05602	5.4
205.19576	1.7
241.10841	1.0
247.17052	1.0
249.18582	100.0
250.18948	8.6
255.23213	1.5
263.20142	1.2
291.20013	1.2
381.58945	0.7
397.13684	1.2
465.28574	7.0
483.29559	7.7
484.29749	1.3
553.29468	0.7
591.31836	2.0
627.33838	94.7
628.34113	18.6
629.35510	0.9
633.50055	0.8
645.34912	49.8
646.35394	8.7
877.51373	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	873.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98536	4.7
61.98830	66.7
63.18800	2.7
64.01936	2.5
71.01382	20.1
71.53639	5.2
76.21857	3.1
83.01385	4.9
85.02933	4.0
87.00880	3.2
89.02444	16.0
99.00874	15.0
101.02419	12.1
109.06606	3.2
113.02445	4.7
119.03530	4.7
125.09706	6.4
127.11247	2.9
134.04718	5.1
163.11296	5.5
171.01123	2.8
171.10197	6.1
181.12315	14.9
191.05600	3.0
199.13408	18.5
207.10248	37.2
208.10489	3.5
220.40332	3.1
221.06540	4.5
225.09189	5.2
225.11319	61.1
243.12337	16.9
249.18565	23.5
277.21750	3.6
338.95062	2.9
397.13577	6.2
623.25281	7.9
654.34589	3.4
855.43469	9.3
873.44788	100.0
874.45154	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
60.97150	1.4
61.98832	30.1
64.96057	1.5
66.78210	1.5
71.01382	100.0
71.53570	2.0
71.53973	1.7
72.99324	2.2
73.02950	6.3
81.03457	1.5
83.01392	3.5
83.05054	1.4
85.02938	9.6
87.00864	2.2
89.02431	9.2
96.96043	2.1
97.02917	2.0
99.00871	3.8
101.02447	13.0
109.06597	4.2
111.00900	1.8
113.02464	11.6
116.92834	2.5
119.03487	4.5
125.09743	3.4
127.11289	2.9
127.12748	1.4
129.01987	2.2
135.08214	1.5
139.11249	1.5
143.03484	3.1
143.23497	1.5
161.04536	3.2
163.11295	3.0
171.10263	61.2
172.10588	3.3
181.12239	2.9
185.11734	2.3
197.11885	2.1
199.09741	11.6
201.11317	10.9
207.10287	10.1
209.11806	2.6
215.12898	2.0
225.11336	15.2
235.30008	1.6
243.12250	1.8
265.18109	2.1
301.69949	1.5
343.24991	3.7
397.13318	1.5
449.28973	1.6
467.30176	5.5
547.83221	1.6
573.09009	1.8
578.37848	1.9
611.34460	20.2
612.34961	4.5
629.35431	28.4
630.35461	5.7
643.12427	1.7
701.88599	1.8
837.45813	2.2
838.46118	2.0
873.47498	4.9
874.48773	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	877.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
61.58018	0.7
62.35014	0.6
68.49438	0.8
71.51566	1.0
88.98802	17.2
91.72762	0.8
94.40858	0.7
96.34176	0.7
106.68355	0.7
107.01365	1.5
121.02921	1.0
126.30550	0.8
129.19409	0.8
133.02980	1.2
151.00362	6.4
178.99820	1.3
199.03986	2.7
215.03412	0.8
227.03456	3.4
243.02928	3.5
255.02983	3.3
271.02460	57.8
272.02826	2.9
283.02429	1.6
285.04022	1.1
299.01950	100.0
300.02521	19.2
301.03455	17.0
302.03592	1.3
462.08038	19.8
463.08334	4.3
609.14691	1.4
625.14142	17.4
626.14008	2.5
787.19348	71.7
788.19641	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	877.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
69.16393	1.8
69.16819	1.2
71.01382	19.8
72.01721	0.3
72.99306	1.6
73.02932	0.6
83.01384	1.1
85.02955	4.0
87.00880	1.1
89.02446	20.7
95.01379	1.5
98.19920	0.5
99.00874	0.5
101.02438	12.8
101.03110	0.6
103.72270	0.3
113.02447	7.4
119.03491	8.3
119.04848	0.3
131.03477	1.0
135.04521	0.3
143.03519	0.8
143.07146	0.4
149.04590	0.5
161.04536	0.6
161.08168	0.6
179.05608	0.7
260.03568	0.3
272.23737	0.3
323.13458	100.0
324.13809	6.9
516.73846	0.3
607.83173	0.3
746.40723	0.3
873.85413	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.407
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	66.0
72.99297	2.7
73.02955	13.9
74.11431	3.3
83.01404	5.5
85.02963	23.5
87.00871	9.0
89.02442	29.4
95.01365	4.3
97.02934	6.3
99.00864	7.0
101.02441	37.0
109.54340	2.8
111.00881	3.5
113.02453	23.7
119.03502	10.0
125.02435	10.9
143.03513	6.3
161.04552	11.2
467.30292	4.4
611.34528	13.9
629.35333	14.2
630.35315	3.7
737.37848	3.6
773.39667	100.0
774.40283	22.2
791.40674	71.1
792.41016	16.8
833.41296	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	877.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03453	5.5
71.01381	90.6
72.99297	9.4
73.02942	17.9
75.00867	2.3
81.03479	2.7
83.01366	18.5
85.02460	2.9
85.02946	43.4
86.00166	2.2
87.00875	13.3
89.01939	3.2
89.02445	44.6
95.01392	14.6
97.02954	3.0
99.00876	10.4
101.02444	55.7
111.00851	4.2
113.02455	49.3
119.03519	17.6
120.01248	3.2
124.01658	2.8
125.02411	11.1
129.01941	2.9
135.60013	2.4
139.00348	4.6
143.03458	6.2
144.03775	2.6
161.04515	4.8
179.05589	4.8
467.30136	5.5
506.86218	2.3
611.34216	17.8
612.34375	3.2
627.33441	4.7
629.35297	37.3
630.35577	5.4
671.36285	5.2
724.28723	3.0
739.35138	7.1
757.39722	11.3
773.25806	3.5
773.39508	50.4
774.39764	17.2
775.41083	7.7
776.41656	2.7
791.40692	100.0
792.41034	23.9
817.43018	3.1
833.41687	50.3
834.41650	13.0
877.41174	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	871.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	6.8
67.01900	0.4
67.75052	0.3
69.03452	4.8
71.01380	14.8
71.05012	2.1
71.52545	0.5
72.99305	1.0
73.02930	2.4
75.00885	0.4
77.84561	0.4
81.03445	0.5
83.01398	2.1
83.05030	1.0
85.02947	3.7
87.00883	2.7
89.02443	11.6
93.03471	0.4
94.73396	0.4
95.01361	0.8
97.02950	2.1
97.06591	0.7
99.00883	1.3
101.02438	10.6
111.04489	0.4
113.02457	4.5
115.92973	0.3
119.03540	2.4
123.08165	1.0
125.02453	2.3
125.06922	0.4
125.09717	2.5
131.03506	1.0
135.08066	0.3
142.60326	0.3
143.03510	1.4
147.96098	0.4
151.11285	1.8
153.12848	2.0
159.57115	0.3
161.04541	2.3
161.09721	2.8
170.09700	0.3
171.10242	0.7
179.05646	1.0
179.10783	5.2
197.11824	67.7
198.12143	2.8
211.13474	0.5
221.06659	2.5
223.09782	1.2
231.17604	0.4
235.08151	0.9
241.10808	3.8
249.18581	17.5
250.18944	1.5
253.09242	1.0
277.21881	0.4
321.43674	0.4
397.13510	2.4
415.14618	0.7
621.23792	0.6
639.24823	1.1
725.56702	0.5
871.43317	100.0
872.43585	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.5053
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	16.2
71.01382	12.1
71.54500	1.7
73.02948	1.3
80.02663	1.5
83.01404	1.6
83.05024	6.4
84.02166	2.0
85.02956	4.7
87.00922	1.4
89.02452	6.4
92.87226	1.1
96.96017	3.8
101.02439	7.0
113.02469	6.6
126.64806	1.2
131.08273	41.0
132.08647	6.0
161.04546	1.6
163.11278	4.8
165.12807	3.1
174.08795	6.7
175.09271	1.8
209.11821	100.0
210.12148	9.2
227.12880	25.8
228.13182	2.2
249.18567	4.7
250.18976	2.6
253.09329	1.8
354.11972	1.5
363.58456	1.3
446.90643	1.4
497.19846	1.5
573.75604	1.5
611.34296	27.0
612.34473	6.6
629.35419	25.3
630.35736	3.6
664.16956	1.7
803.17023	1.5
861.03082	1.6
871.48401	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	873.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01361	0.3
74.39594	0.3
78.95904	11.6
79.95737	4.1
94.98097	1.0
96.96012	100.0
96.96927	13.5
98.90656	0.3
115.43381	0.4
129.05533	0.4
132.39102	0.2
135.41194	0.3
184.09123	0.2
229.18471	0.3
294.73563	0.3
296.10443	0.3
296.30991	0.3
434.90604	0.3
471.19037	0.3
481.28421	0.4
775.41455	0.4
873.47144	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.449
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	2.7
69.03451	1.2
70.15903	0.4
70.93298	1.1
71.01382	14.7
71.05033	3.5
72.99303	0.7
73.02960	2.4
77.88321	0.4
81.03450	0.5
83.01400	0.9
83.05028	1.2
85.02949	3.5
87.00861	2.9
88.98798	2.5
89.02445	9.3
92.18909	0.4
95.01378	0.6
95.05036	0.8
99.00882	18.3
101.02446	7.5
109.06580	1.6
110.03702	0.7
111.00843	0.6
113.02449	3.8
119.03482	1.6
123.08154	1.7
125.02433	1.9
125.09707	7.0
127.11303	0.5
131.03500	1.3
131.08255	0.8
135.08089	0.5
136.05246	0.9
142.02728	0.8
155.14436	1.0
161.04521	1.5
161.09720	0.7
163.11273	9.0
165.68845	0.4
171.10229	0.9
179.05582	1.4
179.10809	0.6
181.12338	18.1
197.11777	0.9
199.13397	12.8
200.13724	0.7
207.10251	34.5
208.10585	1.8
221.06648	2.8
225.11314	46.0
226.11668	2.6
235.08269	0.9
243.12367	24.5
244.12642	1.7
249.18553	8.4
250.18776	0.9
253.09276	0.7
323.91245	0.4
397.13364	2.1
415.14578	0.9
462.15884	0.5
623.25757	1.8
641.26581	4.3
693.37903	0.6
873.44861	100.0
874.45166	24.6
874.62640	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	1.4
62.96405	0.5
69.56435	0.9
69.56870	0.8
71.01375	0.3
78.68459	0.2
78.95901	100.0
85.02972	0.3
96.96958	22.5
98.20587	0.5
99.00840	0.4
106.29042	0.3
122.98588	0.4
132.38557	0.3
138.98036	0.3
152.91925	0.3
156.52448	0.3
223.00067	1.1
238.99408	0.4
239.60567	0.2
241.01176	41.4
242.01515	1.5
259.02222	4.7
285.03671	0.8
313.03452	0.3
642.82910	0.3
693.32782	1.3
871.37244	32.9
872.37585	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	871.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
60.58727	2.0
61.98819	8.1
65.03957	3.2
69.03457	5.5
70.96700	4.7
71.01385	71.1
71.05002	2.3
72.99297	5.1
73.02947	18.5
78.91890	5.7
79.90879	2.0
81.03451	4.3
83.01376	13.2
83.05021	8.9
85.02954	32.6
87.00884	5.6
89.02443	35.3
93.02861	3.9
93.03456	71.4
94.98078	4.6
95.01376	6.4
96.96015	2.9
97.02940	5.1
97.06583	2.2
99.00888	18.7
99.04497	3.3
101.02445	40.4
108.82806	2.0
109.02980	5.1
111.00877	3.7
111.04526	19.8
112.01637	2.2
113.02457	34.3
119.03503	11.6
123.35249	2.2
124.01581	2.1
125.02393	3.4
125.09742	3.8
134.28185	2.0
137.02449	21.6
142.02715	2.2
143.03528	5.8
155.03545	11.8
159.02951	2.2
161.04495	6.4
163.11264	6.1
173.04547	29.5
174.00568	1.9
181.12358	6.7
194.86655	2.6
197.04494	2.2
199.13301	4.9
207.10245	16.1
225.11292	19.9
241.03513	10.4
243.12352	6.9
299.52005	2.3
329.97748	2.4
467.30164	4.1
611.34375	100.0
612.34448	22.5
629.35431	95.0
630.35687	21.2
671.36505	76.8
672.36755	16.7
697.34625	11.9
698.34930	2.6
769.04956	2.6
871.47974	46.3
872.46277	9.3
885.90363	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	870.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98553	0.2
66.35052	0.2
78.91913	0.4
83.12599	0.2
89.02472	0.3
98.20756	0.4
131.97343	0.2
141.93840	0.2
230.45932	0.2
239.99271	0.2
807.40833	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98521	0.1
67.22526	0.1
71.01411	0.1
71.13965	0.2
71.14293	0.1
72.72025	0.1
98.58591	0.1
210.96828	0.1
259.80200	0.1
299.37836	0.1
336.13205	0.1
520.00525	0.1
653.78094	0.1
807.40723	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.3976
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98537	0.2
69.86590	0.5
71.01398	0.7
75.14649	0.1
79.95761	0.1
85.02980	0.2
89.02450	0.5
90.89700	0.1
93.31779	0.1
96.96004	0.3
97.32384	0.1
98.20774	0.1
101.02460	0.5
113.02456	0.3
116.92892	0.2
119.67903	0.1
121.02946	1.3
127.03482	0.1
161.04581	0.1
176.87032	0.1
191.05702	0.2
207.06985	0.2
209.04504	0.7
225.11256	0.2
261.45749	0.1
289.51730	0.1
362.29837	0.1
452.19107	0.1
483.29715	0.2
492.24307	0.1
573.85492	0.1
645.34784	1.7
661.34711	0.2
807.40723	0.3
826.66223	0.1
870.42303	0.1
871.39850	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	6.0
63.02398	1.6
65.00332	1.4
65.17567	0.5
66.17139	0.5
78.27202	0.6
78.95893	0.6
80.96534	1.3
83.01402	1.3
85.02980	0.5
87.00915	0.4
93.03455	0.8
94.85924	0.4
94.98096	0.6
98.19894	1.7
107.01397	2.9
122.33221	0.4
123.62817	0.5
132.02208	1.1
135.00885	1.2
143.04849	0.7
151.00357	5.4
159.04544	0.5
163.00377	1.9
164.01154	1.0
169.01385	0.6
171.04517	0.5
178.99802	1.2
183.04544	1.8
185.02391	0.9
185.06116	0.8
187.03989	1.8
189.05536	1.0
195.04388	0.6
199.04019	1.2
209.11702	0.7
211.03961	3.1
213.05550	1.0
227.03490	55.2
228.03896	4.0
229.05074	4.9
239.03444	1.4
241.04994	0.9
255.02986	91.8
256.03445	10.0
257.04605	5.6
277.21671	1.3
283.02414	3.1
284.03259	100.0
285.03970	41.6
286.04388	2.7
309.04004	0.7
351.05209	0.5
411.07187	0.8
591.14178	0.6
609.14655	0.6
689.29907	1.0
869.35938	60.3
870.36243	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	869.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	0.4
71.53897	0.2
76.83545	0.1
78.95908	1.9
79.95739	4.1
87.62121	0.2
88.81881	0.1
90.10525	0.1
95.90659	0.1
96.96013	100.0
97.95941	0.2
119.37433	0.2
121.73100	0.2
151.00337	0.3
173.10683	0.2
227.03555	0.9
255.02969	3.2
256.03497	0.3
283.02481	4.3
284.03250	3.7
285.04041	4.1
286.04453	0.4
439.05466	0.2
446.08789	0.4
550.19659	0.2
609.14581	7.4
610.14832	1.2
771.19958	0.6
844.94495	0.2
903.31543	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
66.08474	0.2
70.39256	0.5
70.97668	0.2
78.95901	1.9
79.95734	4.5
87.00246	0.2
91.40446	0.2
94.98101	0.2
96.96011	100.0
97.95964	0.3
100.69208	0.2
147.45570	0.2
151.00320	0.3
153.46048	0.2
155.56374	0.2
161.02275	0.2
227.03508	1.1
255.02979	3.5
256.03552	0.4
283.02448	4.5
283.05563	0.3
284.03241	4.4
285.03983	2.6
286.04257	0.3
323.13748	0.2
366.93927	0.2
446.08572	0.5
609.14563	8.4
610.14990	1.2
762.43695	0.2
883.90814	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.70350	0.2
71.01373	0.2
71.01981	0.3
79.95738	0.3
80.96517	1.8
82.96104	0.2
88.04707	0.2
94.98113	0.6
125.02435	0.2
132.05377	0.2
134.97523	0.1
164.98750	0.2
225.00710	0.2
234.64990	0.2
264.82178	0.2
270.82257	0.2
352.09531	0.1
448.63419	0.2
484.67252	0.2
751.61346	0.2
868.51288	0.8
869.47247	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	867.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	6.7
69.03449	1.0
71.01014	0.8
71.01380	10.9
71.05007	2.5
71.54053	1.0
72.99287	1.8
73.02924	1.8
75.00858	1.5
83.01392	1.7
85.02949	3.7
87.00864	1.9
88.98804	0.8
89.02438	7.9
95.01354	0.9
97.02950	4.7
97.06578	3.0
99.00880	22.1
101.02451	8.1
113.02467	4.8
119.03483	2.1
121.26545	0.7
122.88342	0.7
123.08163	2.0
125.02464	1.7
125.09702	6.2
142.02681	1.1
143.03555	0.9
146.13101	0.9
155.14507	0.9
161.04614	1.0
161.09612	1.2
163.11298	7.8
164.98842	0.8
171.10222	1.6
181.12334	18.6
182.12645	1.3
191.05534	1.5
197.11795	3.0
198.12251	0.9
199.13399	18.9
200.13866	1.2
207.10246	31.4
208.10588	2.7
221.06618	2.1
221.08545	0.9
225.11324	47.7
226.11652	2.8
229.14264	0.8
243.12355	26.6
244.12579	2.0
253.09247	0.8
317.16098	1.1
461.19769	1.1
641.26660	2.8
645.35059	1.1
795.37036	3.9
849.38055	5.8
867.38580	100.0
868.38831	19.9
888.48743	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	0.5
62.94374	0.3
69.03462	1.0
71.01384	8.2
71.05022	3.1
72.99286	0.6
73.02948	1.9
81.03464	0.8
83.01388	0.9
83.05030	0.6
85.02946	2.6
86.00096	0.3
87.00877	2.4
89.02444	7.1
92.24925	0.4
94.32539	0.3
95.01416	0.4
95.05038	1.0
97.02945	6.2
97.06579	2.5
99.00884	22.3
101.02451	5.9
109.02960	0.4
109.06561	1.4
110.03747	1.2
111.00879	0.4
113.02477	2.4
119.03486	1.2
123.08167	1.4
125.02442	1.6
125.09724	7.4
126.10013	0.4
127.11300	0.6
131.03577	0.7
135.08171	1.0
136.05321	0.7
142.02753	1.9
143.03503	0.6
145.10150	0.3
153.12830	0.6
155.14505	0.7
161.04570	1.1
161.09715	0.7
163.11287	9.1
173.73325	0.4
179.10776	0.7
181.12344	16.4
182.12688	1.0
197.11830	1.4
199.13393	11.8
200.13705	0.6
207.10249	33.8
208.10599	2.2
221.06676	2.5
225.11316	50.5
226.11647	3.1
243.12367	27.8
244.12767	1.7
278.11716	0.3
299.15167	0.4
317.16141	0.8
330.53928	0.4
543.27924	0.8
599.53412	0.4
613.49872	0.4
623.25439	0.6
641.26715	3.9
642.27271	0.5
823.36084	0.4
849.37775	1.8
851.24750	0.4
867.38654	100.0
868.38977	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	865.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99307	18.0
61.98806	0.2
67.70282	0.2
69.16135	0.2
71.01395	0.8
73.02962	0.4
85.02954	0.2
87.00876	1.9
88.00400	0.7
88.98805	100.0
89.02443	4.4
89.99134	1.1
92.82652	0.2
101.02477	0.5
107.44857	0.2
119.03434	0.2
150.33699	0.2
177.99179	0.2
204.46510	0.2
210.48323	0.2
210.50774	0.2
229.71518	0.2
302.91119	0.2
442.91202	0.2
545.85394	0.2
616.93457	0.2
768.00372	0.2
775.41052	2.8
776.42120	0.8
777.41895	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99306	15.3
67.69813	0.2
71.01379	0.8
80.61909	0.2
82.97100	0.2
85.02984	0.5
87.00872	1.3
88.00397	0.9
88.98805	100.0
89.02439	3.2
89.99136	0.6
101.02435	0.7
105.43955	0.2
113.02407	0.4
134.22528	0.3
157.94603	0.2
481.27579	0.3
629.35577	0.4
775.40930	2.3
776.41663	1.0
777.42120	0.7
822.69482	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.371
Annotation	Unknow
Peak:m/z	Relative Intensity
61.51833	0.5
63.37640	0.5
66.45264	0.4
69.03459	4.3
71.01379	10.5
71.05013	3.0
72.99299	0.7
73.02943	1.3
83.01390	0.9
83.05025	1.0
85.02941	2.3
87.00851	1.7
89.02439	6.1
91.33128	0.5
95.01381	1.0
95.05019	0.6
97.02951	4.6
97.06577	3.5
99.00878	16.1
101.02446	6.6
109.06572	0.9
113.02460	3.6
114.13823	0.5
119.03488	1.0
123.08157	1.3
125.02420	1.7
125.09706	7.2
135.08096	0.8
142.02747	0.7
151.11319	1.4
153.12794	1.2
161.04630	1.0
161.09718	2.1
163.11273	8.1
171.44521	0.5
179.05556	0.6
179.10709	2.6
181.12328	14.6
181.57091	0.5
182.12700	1.0
197.11826	22.6
198.12166	1.7
199.13405	10.8
207.10257	24.6
208.10583	1.9
221.06648	3.9
225.11310	38.1
226.11667	2.4
235.08095	0.6
241.10838	2.2
243.12352	21.0
244.12724	1.2
284.73755	0.6
419.95938	0.7
541.26434	0.8
639.25372	0.8
641.26605	1.9
673.91095	0.5
821.37646	1.7
847.36072	0.9
865.37079	100.0
866.37378	24.5
878.23712	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5518
Annotation	Unknow
Peak:m/z	Relative Intensity
60.38396	0.5
61.98817	2.0
71.01382	24.1
72.99306	1.2
73.02947	5.1
78.98575	1.0
79.95734	1.2
80.96512	7.0
81.20652	0.5
83.01372	2.4
85.02948	10.0
87.00868	1.6
89.02444	9.4
94.98053	1.2
95.01396	1.9
97.02961	0.7
99.00856	2.0
101.01795	0.8
101.02441	12.5
111.00872	1.3
112.01655	0.4
113.02449	13.2
119.03497	4.2
119.41924	0.4
124.01649	1.2
125.02444	2.0
129.01926	0.8
131.03493	0.5
134.97520	0.4
143.03497	3.5
159.02975	0.9
161.04564	4.6
164.98708	1.0
170.54384	0.4
179.05606	1.4
211.70244	0.6
225.00677	1.8
233.19136	1.4
251.20143	100.0
252.20465	7.1
255.23296	0.5
449.29184	1.9
467.30096	4.3
468.30203	1.1
547.32672	0.6
575.31885	0.7
611.34302	53.3
612.34668	9.8
629.35376	30.0
630.35699	5.8
673.66498	0.6
797.84546	0.5
863.47894	7.2
864.47717	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	863.5521
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	1.1
69.03464	0.7
71.01380	25.6
72.01714	0.4
72.99303	1.4
73.02943	5.2
75.00875	0.5
78.98580	0.3
80.96520	2.3
81.03451	0.3
83.01379	2.9
83.05027	0.4
84.02169	0.3
85.02946	12.8
86.00108	0.5
87.00879	2.1
89.02441	10.7
94.98103	0.6
95.01385	3.2
97.02942	1.1
99.00871	2.7
101.02438	15.3
102.02766	0.4
110.16650	0.3
111.00875	1.4
112.01682	0.5
113.02445	15.4
114.02779	0.3
115.04060	0.4
119.03497	4.6
124.01703	1.4
125.02453	2.1
129.01939	0.8
134.44437	0.3
134.97523	0.3
143.03484	3.9
149.04521	0.5
159.02966	1.2
161.04547	4.9
164.98586	0.5
179.05589	1.1
201.13849	0.3
225.00719	0.7
233.19069	1.5
251.20143	100.0
252.20490	7.9
254.76218	0.3
265.21689	0.7
449.29132	2.3
450.85706	0.3
467.30151	5.6
468.30710	0.7
537.30341	0.4
547.32605	0.5
575.32172	0.6
581.33209	0.5
611.34326	54.4
612.34698	9.9
629.35406	34.1
630.35815	6.8
641.12482	0.3
863.47925	3.2
864.48285	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.98540	0.2
70.82507	0.3
71.01389	0.4
85.02924	0.3
87.00903	0.2
89.02448	0.2
96.55034	0.2
101.02450	0.2
113.02372	0.1
191.05605	0.2
197.11790	0.4
476.96359	0.2
481.28387	0.5
743.64807	0.2
863.36682	0.4
864.37573	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	1.0
63.96230	1.1
71.01382	8.5
73.02951	1.1
78.95917	1.4
78.98589	7.1
79.95739	15.0
80.96516	79.7
82.96096	2.7
85.02938	2.8
87.00864	3.1
94.98082	18.1
96.96004	2.3
97.02940	1.3
99.00883	0.9
101.02445	2.8
106.98057	3.2
109.96083	0.7
112.35140	0.8
122.97556	5.4
125.02413	3.6
134.97563	5.8
136.99150	1.6
146.97549	0.8
148.99095	5.8
149.95863	0.7
152.98619	7.3
155.07954	0.9
162.79118	0.8
164.98639	10.3
172.62550	0.7
206.99641	2.7
224.98666	1.5
225.00732	19.7
229.44165	0.9
255.23233	1.9
345.44495	0.9
537.27527	1.5
607.24493	1.5
674.85901	1.0
863.48169	100.0
864.48657	27.6
864.65375	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	863.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	81.2
69.03456	6.3
69.45399	2.0
69.45824	2.3
71.01382	12.6
71.05034	2.1
72.99332	0.7
73.02948	2.6
73.21449	0.5
74.05327	0.8
76.67331	0.6
81.03443	1.2
83.01387	2.2
83.05025	1.0
85.02926	3.6
87.00878	2.6
89.02453	7.7
95.05006	1.0
97.02965	1.8
97.06570	0.9
97.76059	0.6
99.00891	1.1
101.02448	8.2
107.01449	0.6
111.04491	0.6
113.02441	3.5
119.03488	1.2
123.08149	1.6
125.02467	1.0
125.09711	3.8
131.03499	0.6
137.09802	0.6
143.03494	0.6
151.11292	2.7
153.12872	3.3
161.09729	3.7
179.10805	7.2
197.11824	88.9
198.12183	6.5
221.06712	3.1
223.09782	0.6
230.25821	0.6
241.10803	6.4
349.83722	0.6
539.24744	0.8
639.25183	1.0
701.30994	1.0
819.36719	1.9
863.35516	100.0
864.35767	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	861.5367
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01720	0.4
61.00847	0.2
61.98832	0.6
68.88476	0.3
68.99828	0.3
69.03449	0.6
69.70341	0.2
70.97086	0.6
71.01381	35.6
72.01734	0.3
72.99307	2.0
73.02943	6.4
74.11613	0.2
75.00873	0.7
81.03471	0.4
83.01389	4.2
83.05041	0.6
85.02948	15.1
86.00085	0.5
87.00881	2.3
89.02444	13.9
95.01390	3.8
97.02946	1.4
98.19981	0.3
99.00873	3.2
101.02439	18.0
102.02811	0.3
111.00896	1.5
112.01678	0.3
113.02446	20.0
114.02796	0.4
115.04015	0.7
119.03500	5.4
120.17960	0.3
124.01643	2.0
125.02442	3.5
129.01952	1.5
131.03499	0.8
133.43179	0.2
142.02696	0.4
143.03499	4.7
149.04639	0.4
159.02972	1.8
161.04539	6.7
162.04802	0.3
177.16562	0.3
179.05580	1.3
205.19603	1.2
213.69733	0.3
231.17508	1.3
247.17046	0.9
249.18573	100.0
250.18930	8.7
263.66379	0.3
295.85788	0.3
366.80759	0.3
449.29025	2.6
450.29813	0.5
467.30087	7.0
468.30676	0.8
533.32098	0.4
537.30847	0.9
546.67822	0.3
547.33203	0.4
563.32349	0.5
575.31897	1.5
576.32483	0.4
581.32983	0.4
611.34302	72.3
612.34625	14.0
629.35388	44.6
630.35767	8.5
861.53748	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.5366
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99799	0.6
69.03445	1.4
70.96580	1.4
71.01384	35.1
72.99302	1.7
73.02945	7.2
78.78800	0.5
83.01412	4.6
84.18174	0.5
85.02950	15.6
87.00889	3.0
89.02445	14.0
95.01382	2.8
97.02952	1.4
98.14229	0.6
99.00883	3.2
101.02445	17.9
111.00870	1.7
113.02456	22.9
113.03251	1.1
119.03516	6.0
124.01678	1.3
125.02440	2.8
129.01953	1.7
131.03604	0.7
143.03470	4.4
143.49451	0.7
149.18059	0.6
159.02989	1.4
161.04561	8.1
179.05582	1.7
195.59227	0.7
205.19591	1.2
212.63033	0.7
231.17578	1.5
249.18584	100.0
250.18925	8.0
278.59393	0.7
449.29108	3.5
462.65775	0.6
467.30145	6.3
468.30786	1.2
530.10504	0.7
611.34357	76.8
612.34729	14.1
629.35394	46.6
630.35883	7.8
861.54163	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	7.2
70.08418	8.1
70.08833	5.0
70.29058	3.3
71.01382	12.5
78.98586	8.0
79.95740	20.8
80.96519	100.0
85.02980	3.4
94.98074	27.5
106.98124	3.2
122.97556	7.0
125.02460	3.1
126.76423	2.6
129.40031	3.0
134.97536	6.3
142.39076	3.2
148.99144	6.6
152.98639	6.8
164.98660	11.5
177.34186	3.1
206.99716	4.4
225.00725	20.5
234.07420	3.4
277.21646	4.1
414.94168	3.3
577.75800	3.6
630.50311	3.0
801.36334	3.0
861.46533	83.6
862.47119	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01706	1.3
63.60203	0.8
67.01903	1.3
69.03466	5.3
71.01382	58.6
72.01722	1.2
72.06451	0.7
72.99321	3.5
73.02944	30.4
75.00878	1.1
81.03458	2.6
83.01384	12.3
83.05015	0.7
85.02950	27.4
86.00097	3.3
87.00874	12.9
87.04503	3.3
89.01931	1.3
89.02448	22.3
95.01389	5.0
97.02956	8.1
98.20676	1.3
99.00869	5.8
99.04513	2.5
101.02444	41.3
102.02784	0.8
103.04011	7.9
109.02932	1.1
111.00884	2.6
113.02454	18.2
115.04025	6.0
119.03497	8.1
124.01664	4.9
125.02451	17.3
127.03996	1.9
129.01938	1.9
131.03506	6.7
141.01944	1.0
143.03497	11.2
143.14537	0.7
145.05049	2.6
159.02991	1.6
161.04536	2.8
163.06123	6.2
170.64243	0.7
179.05557	1.3
187.02448	2.6
205.07141	6.4
206.89159	0.7
229.07104	0.9
235.90553	0.8
247.08168	2.5
267.34125	0.8
289.09314	0.9
317.55042	0.7
449.29147	1.0
467.30066	3.8
575.32477	1.5
593.33069	1.6
595.34839	2.1
611.34210	10.3
612.34363	1.8
613.36005	5.5
614.35925	1.9
629.35437	6.9
630.35895	1.7
721.38501	1.2
727.39490	0.8
757.40106	100.0
758.26672	1.3
758.40411	26.5
775.41180	72.9
776.41553	17.6
800.06488	1.0
817.42206	8.3
818.42432	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	861.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
64.21598	3.0
66.80397	3.5
68.87130	2.9
69.38038	9.6
69.38463	15.7
71.01381	90.9
72.99316	8.1
73.02950	32.8
80.39387	3.0
81.03426	3.9
83.01392	13.5
85.02956	42.2
86.00099	3.7
87.00885	16.3
88.77930	2.9
89.02445	39.8
95.01385	6.7
97.02964	8.2
98.20683	5.4
99.00862	7.7
99.04519	6.9
101.02438	47.4
103.04010	4.8
111.00861	6.6
113.02449	43.7
115.04031	5.1
119.03497	9.1
121.00382	2.7
123.25607	3.2
124.01662	13.9
125.02445	41.1
129.01988	3.8
143.03500	11.8
161.04582	6.9
173.55711	3.2
187.02470	20.3
207.85129	3.0
243.45988	3.0
302.61646	2.9
331.85672	3.1
467.30228	9.8
518.88574	3.7
611.34296	28.1
629.35663	33.3
630.36035	6.5
757.40100	87.1
758.40204	25.1
775.41162	100.0
776.41669	24.5
817.42200	30.9
818.41876	9.9
839.87793	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	861.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	3.2
71.01377	59.1
72.99315	7.4
73.02946	32.9
80.86057	3.3
81.03457	3.7
83.01384	13.1
84.05937	2.5
85.02955	39.0
86.00088	3.2
87.00401	2.5
87.00865	15.0
87.04522	5.0
89.02446	24.8
95.01379	5.6
97.02930	8.2
98.13854	2.4
98.20679	5.5
99.00860	4.7
101.02444	40.1
103.03992	6.2
103.62832	2.6
104.27877	2.7
104.90630	2.6
111.00853	3.1
113.02470	17.2
115.03973	6.1
119.03492	11.4
123.69025	2.6
124.01659	7.5
125.02438	17.8
131.03470	4.3
139.02992	2.6
143.03528	12.7
161.04536	5.2
163.06076	5.2
187.02449	4.0
205.07190	6.3
295.24945	2.7
467.30115	4.8
495.11728	3.7
505.24026	2.5
611.34357	9.8
613.36133	5.1
629.35913	5.0
757.40076	100.0
758.40454	28.6
775.41235	62.0
776.41711	19.5
778.71985	3.1
817.42480	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	861.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98845	0.5
67.01883	1.1
71.01389	4.4
71.05028	1.7
73.02950	1.6
79.01897	1.7
81.03457	6.2
82.95414	0.9
83.01402	1.3
84.95129	2.7
85.02936	2.2
86.24691	0.4
87.00877	0.5
89.02477	1.2
95.01398	2.3
96.96029	1.1
97.02955	0.9
98.95608	0.7
99.00899	0.9
99.04520	12.3
101.02450	13.9
111.00896	0.6
113.02461	1.8
115.04005	6.2
119.03522	0.4
125.02451	100.0
126.02789	3.2
139.00407	1.5
143.03502	4.7
145.01439	13.4
151.00342	1.1
158.64769	0.4
161.04570	0.4
169.01410	0.9
187.02473	52.7
188.02818	1.9
195.02478	0.4
229.03471	0.7
256.64157	0.4
260.46600	0.4
465.16833	0.4
611.34296	3.3
612.34595	0.9
629.35486	5.3
630.35468	2.2
631.36029	0.6
671.36530	0.9
740.35590	0.7
741.36249	1.8
757.39624	1.2
775.40887	1.5
776.41736	0.5
783.36780	0.7
799.37781	0.8
817.38617	4.0
818.38214	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98845	0.5
67.01883	1.1
71.01389	4.4
71.05028	1.7
73.02950	1.6
79.01897	1.7
81.03457	6.2
82.95414	0.9
83.01402	1.3
84.95129	2.7
85.02936	2.2
86.24691	0.4
87.00877	0.5
89.02477	1.2
95.01398	2.3
96.96029	1.1
97.02955	0.9
98.95608	0.7
99.00899	0.9
99.04520	12.3
101.02450	13.9
111.00896	0.6
113.02461	1.8
115.04005	6.2
119.03522	0.4
125.02451	100.0
126.02789	3.2
139.00407	1.5
143.03502	4.7
145.01439	13.4
151.00342	1.1
158.64769	0.4
161.04570	0.4
169.01410	0.9
187.02473	52.7
188.02818	1.9
195.02478	0.4
229.03471	0.7
256.64157	0.4
260.46600	0.4
465.16833	0.4
611.34296	3.3
612.34595	0.9
629.35486	5.3
630.35468	2.2
631.36029	0.6
671.36530	0.9
740.35590	0.7
741.36249	1.8
757.39624	1.2
775.40887	1.5
776.41736	0.5
783.36780	0.7
799.37781	0.8
817.38617	4.0
818.38214	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99306	19.2
70.22385	1.3
73.48257	0.3
80.18443	0.3
84.34966	0.3
85.88144	0.3
88.98806	100.0
89.99156	0.9
103.54771	0.3
105.82554	0.3
151.47156	0.3
227.03584	1.4
227.36620	0.3
255.02946	3.7
283.02475	4.8
284.03189	4.4
285.04044	3.9
341.47876	0.4
446.08319	0.8
447.09406	0.4
609.14606	14.4
610.14630	2.8
771.20166	1.2
792.12146	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	4.8
69.23431	0.5
70.81977	0.7
70.82291	0.9
71.01384	28.4
72.01718	0.6
72.99305	1.9
73.02950	5.0
76.20111	0.6
83.01399	3.1
85.02953	10.0
87.00858	1.1
89.02448	14.3
94.53825	0.6
95.01402	3.1
96.30226	0.4
96.95995	1.7
97.41055	0.4
99.00879	2.6
101.02444	14.9
101.03104	1.0
111.00897	1.6
113.02456	8.8
119.03510	4.5
129.01949	1.9
131.03493	0.6
141.10309	1.4
143.03525	1.1
159.02945	1.1
161.04536	2.0
179.05704	0.7
182.54182	0.5
185.09338	1.0
191.05600	0.9
319.89108	0.6
467.30093	6.7
468.30380	1.0
629.35413	100.0
630.25159	0.9
630.35687	19.3
787.43335	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98843	1.0
63.02385	1.2
66.95922	1.9
67.01879	3.7
68.99821	2.2
69.03458	5.5
71.01379	28.1
72.99300	2.1
73.02941	6.7
75.00844	1.1
78.95910	2.1
79.01891	64.1
80.02228	1.7
80.91675	5.7
81.03455	24.4
82.03759	1.6
82.95416	65.0
83.01385	19.2
84.00906	3.4
85.02943	12.5
87.00874	1.8
89.02451	11.9
91.42348	0.9
93.03466	4.1
94.33993	0.9
95.01387	65.1
96.01707	1.8
96.96006	14.6
96.96958	2.7
97.02949	5.0
98.20647	2.8
99.00874	5.0
101.02441	18.1
107.01384	19.5
109.02935	3.1
111.00877	16.8
113.02446	24.1
119.03490	4.8
121.02892	1.0
123.00889	22.1
125.02448	100.0
126.02782	2.9
126.90529	0.9
127.00380	3.5
129.01939	2.2
131.16458	0.9
137.02408	5.0
139.00375	41.3
141.02026	1.5
149.02470	1.0
151.00371	44.3
151.01591	2.2
152.00713	1.4
159.03154	1.0
161.04567	1.3
167.03506	4.0
169.01439	21.4
181.01414	2.3
211.02484	2.2
229.03491	21.2
237.11005	1.0
257.43060	1.0
383.13644	1.0
467.29950	2.0
611.34479	4.6
629.35406	35.5
630.35712	7.8
739.35455	55.5
740.35870	15.8
769.36517	12.8
770.36786	2.3
775.41272	3.8
781.36450	29.7
782.36328	6.4
801.46448	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4901
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	7.0
65.61018	1.0
71.01378	19.4
72.99302	1.3
73.02932	3.6
78.95918	1.4
80.02667	1.4
81.03448	1.9
83.01364	1.6
83.05032	6.9
84.02155	1.8
85.02941	7.9
86.60807	1.2
89.02446	8.2
95.01394	1.9
96.96002	3.4
99.00887	2.3
101.02439	9.6
111.00882	2.3
113.02452	7.1
116.92840	2.9
119.03505	1.8
125.02441	2.0
125.06069	1.4
125.09734	3.8
126.90440	6.9
127.11298	5.6
128.03494	1.4
135.08134	1.2
138.38548	1.1
143.03455	1.7
155.10710	2.3
161.04514	1.7
161.31334	1.0
163.11270	3.7
165.09166	2.1
165.12836	2.8
171.10249	4.0
179.05643	1.2
181.12332	1.5
199.09805	1.4
201.11308	100.0
202.11694	6.0
209.11812	95.7
210.12141	6.5
225.11269	1.9
227.12851	23.7
228.13257	1.9
467.30014	1.9
611.34271	36.4
612.34497	7.5
612.95068	1.1
629.35370	46.3
630.35638	10.3
632.14197	1.1
813.45801	3.2
814.46472	1.2
821.47546	1.6
864.17065	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	857.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	11.0
70.09390	3.1
71.01379	12.5
72.23896	0.7
72.99304	1.9
73.02952	2.1
78.95941	0.7
80.02689	1.4
81.03488	1.3
83.01409	1.6
83.05029	6.1
85.02955	2.6
87.00898	3.6
88.04030	1.5
89.02444	11.2
95.05047	1.1
97.02969	2.3
99.00865	1.4
101.02442	9.7
106.42248	0.8
113.02443	5.2
119.03480	2.8
125.02441	4.7
125.09758	0.9
132.03018	3.8
134.04840	0.9
138.07202	1.0
143.03490	2.0
154.06181	1.4
161.04553	2.9
161.86732	0.9
163.11272	5.4
165.12865	2.4
179.05563	4.4
199.09755	1.6
204.98537	0.8
209.11816	100.0
210.12199	7.0
221.06602	1.5
227.12878	10.0
228.13281	1.2
235.08253	5.0
240.35645	0.7
249.18581	38.2
250.18875	3.4
262.49942	0.8
277.21628	1.3
287.26837	0.8
305.08728	1.7
379.12515	5.1
397.13486	28.1
398.13693	2.5
415.14587	7.9
416.14893	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.20650	0.2
62.98535	0.3
63.99260	0.2
64.78097	0.2
73.24269	0.2
88.24393	0.2
89.02432	0.3
113.02466	0.2
121.02971	0.8
209.04601	0.6
229.24342	0.2
237.12047	0.2
237.52661	0.2
592.67297	0.2
596.59363	0.2
647.36688	0.4
793.42377	0.4
856.42877	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	72.4
63.99247	3.0
71.02512	7.3
72.00909	3.8
73.04082	12.0
74.02470	13.4
82.01725	2.6
82.02969	3.4
83.02500	3.8
85.04051	2.9
87.05638	6.2
95.02489	3.0
96.04546	1.4
99.02001	30.4
99.05643	3.3
109.04059	2.2
110.01229	1.9
111.02015	3.1
112.05159	2.6
113.03566	12.5
113.07176	3.0
115.08779	9.9
116.05062	26.0
118.06610	3.7
119.76366	1.3
125.03554	3.7
125.07201	10.4
126.05608	1.8
126.67522	1.3
127.05126	7.1
127.08743	1.7
128.04643	1.9
129.03075	2.2
129.06709	1.6
130.06186	11.5
131.04634	7.6
131.06638	1.2
136.33141	1.4
137.03542	2.6
137.07236	4.7
139.05164	1.7
139.08815	1.6
141.06691	7.5
142.06570	4.6
143.08162	2.1
144.07745	5.0
146.06151	1.7
151.05118	4.6
153.06706	24.8
154.09915	2.0
155.08237	5.3
157.07643	3.5
159.09254	6.3
165.06714	2.2
166.09807	1.5
167.08290	5.3
170.05725	2.0
170.09351	17.4
172.10916	8.2
173.07246	1.5
173.09309	3.1
179.04625	4.7
182.09352	2.8
186.05537	1.7
186.12439	2.3
187.05080	4.9
189.06636	3.8
192.07777	2.1
193.06160	2.4
198.08884	3.2
201.06670	2.4
203.08252	19.4
206.09328	6.2
207.07748	1.8
210.08821	3.5
211.11954	3.6
216.11459	6.3
218.09349	1.5
219.13365	1.7
224.10379	4.4
228.11557	3.3
230.11499	2.6
242.09407	1.4
251.50810	1.6
260.10309	6.8
271.12073	1.9
273.13559	6.5
299.15085	2.4
317.12589	2.4
317.16199	2.1
325.11542	1.9
342.14304	1.7
353.16141	2.6
371.17191	9.2
372.20474	3.2
373.38840	1.5
382.18735	1.9
410.18231	3.1
416.19302	2.0
442.17554	2.7
454.17169	6.1
471.20007	8.2
472.19867	1.5
484.18286	3.9
501.20996	15.1
502.21280	2.7
503.21976	1.6
508.22458	2.1
607.92371	1.6
618.26685	3.6
648.27795	16.6
649.28101	2.2
826.35278	13.9
827.35504	3.6
838.36176	2.7
839.36072	1.4
856.36316	100.0
857.36761	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4748
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	17.1
63.91694	0.4
71.01382	29.5
72.99306	1.1
73.02947	6.8
75.00877	0.7
77.24466	0.4
78.95900	0.5
83.01387	3.9
85.02950	12.3
86.00027	0.4
87.00882	2.6
89.02443	11.2
95.01386	2.6
96.95993	1.8
99.00873	3.5
101.02441	17.3
101.03106	0.9
102.02827	0.4
109.06637	0.6
111.00883	0.9
113.01736	0.8
113.02454	11.7
119.03491	3.9
121.02940	1.4
125.02435	0.6
129.01907	1.2
143.03502	0.9
145.05066	0.5
149.04544	0.4
159.02953	1.6
161.04547	6.4
165.12811	0.5
179.05611	1.2
190.65038	0.5
191.90640	0.4
193.23172	0.4
209.04472	0.6
209.08511	1.6
209.11798	8.0
221.56544	0.4
228.32936	0.4
232.59195	0.4
235.08202	2.5
280.40121	0.4
301.44217	0.4
303.23318	0.5
365.55099	0.4
465.28458	1.6
483.29730	6.0
484.29941	0.5
627.33850	1.1
645.34882	100.0
646.35321	19.1
646.43860	0.3
663.23822	0.4
785.09528	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4746
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98808	0.6
65.79553	0.7
69.03463	3.2
69.43717	1.9
69.44151	2.6
71.01382	13.1
71.05023	4.6
73.02931	2.1
79.36011	0.6
83.01398	1.5
83.05015	1.3
85.02959	3.4
87.00842	0.7
89.02466	3.0
95.01369	1.6
97.02963	6.8
97.06575	3.9
99.00879	20.4
100.01165	0.6
101.02459	5.5
109.06627	1.0
110.03763	1.3
111.00868	1.4
113.02458	3.3
119.03453	0.7
123.08157	2.5
125.09719	8.3
129.01907	1.6
135.08130	0.9
141.01958	1.1
142.02669	0.9
145.10178	1.1
153.12892	0.7
159.51176	0.7
161.09769	0.9
163.11270	12.6
181.12346	20.7
182.12639	1.2
197.11736	1.3
199.13400	14.6
200.13765	0.9
207.10254	30.0
208.10542	2.8
225.11314	45.6
226.11644	2.2
243.12369	24.1
244.12770	1.5
403.16019	2.4
629.35236	1.3
637.27032	0.7
837.46014	1.3
855.47400	100.0
856.47809	29.3
856.60822	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4744
Annotation	Clavosolide A
Peak:m/z	Relative Intensity
69.03435	1.2
69.86150	0.4
70.00659	0.4
70.92384	1.0
71.01379	13.9
71.05017	4.8
72.75098	0.4
72.99304	0.5
73.02950	2.7
76.19940	0.4
80.02648	0.8
81.03447	0.8
81.20084	0.4
82.58389	0.4
83.01384	2.0
83.05027	0.9
85.02952	5.4
87.00863	0.4
89.02449	4.0
95.01382	1.3
97.02947	5.5
97.06583	4.1
99.00877	22.6
101.02444	6.0
109.06569	1.6
110.03713	0.7
110.88696	0.4
111.00829	1.2
111.59402	0.4
113.02444	3.6
119.03473	1.5
120.65112	0.4
123.08176	2.9
125.09719	10.1
126.10088	0.9
127.11339	0.5
133.54282	0.4
135.08130	0.8
136.05273	0.5
142.02711	1.1
145.10176	0.9
151.35052	0.5
153.12868	0.7
161.09737	0.7
163.11295	13.8
164.11604	1.2
171.10283	0.7
173.00940	0.4
175.91603	0.4
179.10808	0.7
181.12347	18.1
182.12680	0.9
197.11862	0.7
199.13394	12.4
200.13713	0.8
207.10254	29.2
208.10583	1.8
225.11317	35.7
226.11607	1.9
243.12357	19.0
244.12706	1.5
256.75626	0.5
266.83975	0.4
418.87442	0.4
435.83279	0.5
449.02731	0.4
518.29645	0.5
629.35632	2.4
677.42609	3.9
678.43176	0.6
855.47394	100.0
856.47723	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4551
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
71.01414	0.4
71.53796	0.3
78.76160	0.2
78.95900	0.8
80.96499	0.4
96.96033	1.0
96.96976	0.3
115.92162	0.3
116.92858	0.6
126.17513	0.2
152.99619	0.4
159.16006	0.3
161.46405	0.3
171.00696	0.3
189.83244	0.3
253.09265	0.5
277.21704	2.2
278.22180	1.2
297.17227	0.3
315.95001	0.3
357.22794	0.5
407.22067	0.4
548.92395	0.3
795.89905	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98531	0.2
63.43082	0.2
63.99276	0.2
71.01389	0.6
71.53860	0.3
73.02963	0.2
85.02956	0.2
89.02465	0.2
96.96026	0.3
100.37731	0.2
101.02453	0.3
113.02471	0.2
119.03458	0.2
121.02955	0.5
123.79453	0.2
133.37871	0.2
133.77412	0.2
137.94044	0.2
184.37680	0.2
209.04601	0.3
325.07031	0.2
347.19919	0.2
627.33655	0.2
643.33795	0.4
694.36078	0.2
854.40454	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.89741	0.1
61.98829	100.0
62.98544	0.1
70.38646	0.1
71.01411	0.1
71.99199	0.1
114.24245	0.1
131.06328	0.1
140.99373	0.1
190.16673	0.1
228.60829	0.1
341.57907	0.1
389.17310	0.1
617.43274	0.1
680.00897	0.1
703.69489	0.1
791.40759	1.2
792.41681	0.3
888.65192	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	854.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98541	0.2
67.96725	0.1
71.37084	0.1
83.01419	0.1
95.92879	0.1
128.85263	0.1
140.45944	0.1
145.33195	0.1
206.41777	0.1
229.30562	0.1
270.38901	0.1
284.14453	0.1
294.88208	0.1
342.93484	0.1
538.61627	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	854.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98527	0.2
151.22357	0.2
172.72665	0.1
175.36053	0.2
231.25458	0.1
408.07278	0.1
791.41150	0.3
816.41809	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98540	0.2
62.99234	0.1
69.87127	0.2
69.87519	0.2
164.32564	0.1
200.95903	0.1
443.75003	0.1
644.44031	0.1
791.41791	0.1
794.42096	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	10.0
63.96225	1.7
71.01375	8.6
73.02937	2.6
78.98600	8.2
79.95737	24.8
80.96516	100.0
82.96124	1.6
85.02935	4.5
86.81646	1.4
87.00842	2.2
87.63387	1.4
88.95821	1.6
94.98096	22.0
101.02429	2.7
106.98041	4.2
122.97549	4.4
124.19082	1.4
125.02480	3.0
125.89771	1.8
133.94852	1.6
134.97560	5.5
148.99130	7.9
152.98633	8.1
164.98599	12.7
206.99609	2.6
220.67430	1.7
225.00705	20.7
283.04831	2.8
701.00458	1.9
788.07776	1.9
853.47717	94.0
854.47961	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	853.459
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	1.1
69.03120	0.6
69.03462	7.3
69.23068	4.7
71.01384	18.6
71.05025	3.1
72.99310	1.5
73.02946	4.6
75.00893	0.8
83.01379	2.7
85.02956	8.3
85.72763	0.5
87.00864	1.2
89.02449	5.7
95.01395	1.9
97.02974	2.5
97.06566	0.9
99.00883	2.0
101.02442	9.0
109.06554	0.5
111.00893	1.6
111.04554	0.6
113.02446	6.2
113.03188	0.8
119.03534	1.5
123.08179	1.8
125.09749	3.3
129.01968	0.9
133.88866	0.5
137.09657	0.5
141.01906	0.6
142.49765	0.6
149.09689	0.5
151.11314	3.0
153.12892	2.4
154.06207	0.7
161.09727	4.7
179.10774	9.9
197.11832	86.4
198.12132	5.1
223.09785	1.2
225.11168	0.6
241.10808	12.0
242.11163	1.0
280.63205	0.5
401.14560	4.8
438.48694	0.5
611.33752	1.0
629.35077	0.7
782.01489	0.6
853.45862	100.0
854.46252	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98535	0.2
70.85815	0.2
70.86146	0.2
73.77390	0.1
80.96527	0.3
92.36574	0.1
152.11205	0.1
207.62152	0.1
214.47618	0.1
288.95413	0.1
413.95212	0.1
474.06458	0.1
534.58911	0.1
571.73785	0.1
748.01013	0.1
793.05786	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4586
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03456	5.7
71.01381	19.1
71.05014	1.8
72.69054	0.4
72.99306	1.3
73.02949	4.1
75.00887	0.5
83.01388	3.0
83.05024	0.7
85.02949	8.1
86.00102	0.5
87.00846	1.1
89.02445	7.3
95.01377	2.2
95.05051	0.9
97.02970	1.0
97.06581	0.8
99.00895	2.3
101.02441	9.3
111.00877	1.3
113.02449	6.2
119.03507	1.7
123.08163	1.5
125.02435	0.5
125.09737	2.9
137.09720	0.5
151.11296	2.5
153.12817	1.2
154.06207	0.5
161.04593	0.7
161.09717	3.9
179.10777	6.6
197.11819	74.1
198.12151	4.8
223.09671	1.2
241.10791	2.9
330.28769	0.5
629.35272	1.0
675.40985	3.5
676.41254	0.8
853.45850	100.0
854.46277	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	852.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98548	0.2
63.81279	0.1
71.01387	0.1
75.00883	0.3
98.19916	0.3
111.80311	0.1
149.28223	0.1
187.26529	0.1
195.73466	0.1
202.94786	0.1
335.38141	0.1
627.33832	0.8
776.41370	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.40343	0.1
60.00092	0.1
61.98830	100.0
62.98539	0.2
71.01394	0.2
88.98819	0.1
98.20129	0.7
225.23268	0.1
229.34155	0.1
481.28131	0.7
482.28568	0.1
825.75977	0.1
852.38647	0.2
869.01892	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	851.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	16.3
59.37328	1.5
61.98829	11.2
69.03453	1.6
71.01385	20.4
71.54363	2.6
73.02945	3.9
78.95882	1.8
83.01389	2.4
85.02950	7.2
89.02440	3.9
95.51338	1.4
97.06565	1.7
101.02460	10.4
111.00851	1.6
113.02425	4.8
147.72072	1.4
153.14333	1.2
159.11783	2.5
171.10225	2.0
175.11131	1.6
177.12830	13.4
195.13895	71.9
196.14212	5.3
197.11694	1.9
221.11772	2.5
237.31128	1.5
239.12801	7.5
399.16608	2.7
512.54791	1.5
611.34259	3.1
629.35303	3.5
851.47949	100.0
852.48328	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	16.5
61.98827	5.4
69.03446	0.9
69.23882	1.4
69.24281	6.3
70.86837	0.6
71.01382	18.7
72.99300	1.3
73.02928	3.9
75.00859	0.8
78.95886	0.9
81.03427	0.9
83.01395	2.1
83.05013	1.1
83.70212	0.8
85.02958	6.9
87.00863	1.1
89.02443	6.4
93.05995	0.7
95.01373	1.1
95.05019	2.5
97.06573	1.2
97.44498	0.7
99.00847	2.2
101.02439	8.4
105.07187	0.9
111.00868	1.3
113.02444	5.6
119.03492	1.8
121.10172	1.2
124.39281	0.7
141.97829	0.9
158.54865	0.9
159.11755	2.2
177.12825	16.4
178.13229	1.1
195.13896	67.3
196.14214	3.0
203.10741	1.6
209.12013	0.8
221.11775	2.4
239.12947	5.8
249.18633	0.9
252.72214	1.0
260.13962	0.7
262.22528	0.9
265.12189	0.9
611.34296	2.1
629.35315	3.4
673.43134	2.7
851.47919	100.0
852.48309	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	20.6
61.98829	27.0
71.01382	20.0
72.99314	11.4
73.02947	4.7
73.99687	1.2
75.00870	100.0
76.01180	1.1
83.01376	2.2
85.02956	8.9
88.98806	3.8
89.02444	10.1
95.01399	1.6
99.00858	1.9
101.02445	11.5
104.27376	1.2
113.02437	6.8
115.59782	1.0
119.03471	3.4
151.12012	1.0
161.04482	1.1
201.19263	1.1
233.50336	1.1
250.91928	1.1
271.99673	1.1
352.27191	1.1
428.91019	1.2
570.65131	1.1
611.33734	1.9
629.35297	12.6
630.36011	2.7
775.41187	69.8
776.41302	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01071	2.8
59.01375	43.5
61.98818	4.7
69.03448	3.0
71.01379	32.0
72.99315	6.7
73.02949	20.4
74.87556	2.3
80.63248	2.4
83.01388	5.4
85.02964	13.5
86.00111	3.5
87.00869	8.3
87.04508	6.6
89.02446	17.8
98.20662	5.8
101.02444	24.5
103.03996	9.7
113.02440	10.8
115.04005	5.1
116.50188	2.6
119.03478	5.7
131.03488	8.8
143.03505	10.6
163.06104	13.8
205.07152	7.3
221.64796	2.3
779.81073	2.8
791.40710	100.0
792.41229	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	851.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	10.5
60.99298	2.0
61.98834	2.3
69.03423	0.4
71.01379	10.9
72.99308	9.6
73.02939	4.1
75.00872	100.0
83.01392	2.4
85.02951	4.4
87.00873	1.4
88.98808	10.1
89.02448	5.4
95.01385	0.9
99.00895	0.9
99.58771	0.5
101.02443	7.6
103.03988	0.7
111.00887	0.5
113.02443	3.4
115.03967	0.9
119.03479	1.7
125.02483	1.0
129.01913	0.5
131.03481	1.6
143.03510	1.9
163.06134	1.0
205.07153	1.6
229.28540	0.6
251.55699	0.4
302.36459	0.5
467.30331	0.7
485.62927	0.5
500.74722	0.5
524.26147	0.5
613.35834	3.3
629.35425	2.3
749.13989	0.5
775.41180	48.9
776.41498	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	16.7
61.98845	6.6
69.03432	1.8
71.01388	18.3
71.05019	2.8
72.99287	1.5
73.02958	2.7
80.61865	1.0
83.01371	2.0
85.02950	4.2
87.00871	3.8
89.02443	10.8
97.02944	6.7
97.06606	1.8
99.00261	2.1
99.00875	21.5
101.02453	12.8
106.87720	1.0
109.06569	1.8
112.70427	0.9
113.02438	5.7
119.03500	2.4
123.08182	1.3
125.02419	2.5
125.09715	6.1
135.03030	1.9
135.08168	1.4
142.02715	1.1
153.12901	1.0
154.06227	1.9
161.04498	1.9
163.11284	11.3
164.11592	1.1
165.12872	3.4
166.52000	1.1
179.05585	2.4
180.90959	1.1
181.12335	16.3
183.13895	21.8
184.14136	1.3
199.13371	11.4
207.10262	33.7
208.10605	2.1
221.06697	5.7
225.11307	43.6
226.11655	3.3
227.12872	2.2
243.12354	25.8
243.14668	2.2
244.12703	2.0
625.27332	1.3
641.26373	1.8
791.41412	1.5
807.40112	3.9
833.37628	2.1
851.39130	100.0
852.39496	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	4.8
70.23024	4.1
78.91874	1.1
79.15672	1.1
106.44052	1.1
107.01406	1.3
111.44494	1.2
151.00340	5.1
199.03995	1.8
215.03404	1.4
227.03552	2.4
243.02953	4.1
255.02995	3.2
265.90753	1.3
271.02490	49.1
272.02817	4.2
299.01974	100.0
300.02588	19.6
301.03436	12.5
409.38000	1.1
445.08139	1.2
462.08047	16.6
463.08105	2.0
625.14209	16.0
626.14575	2.2
781.72382	1.2
787.19366	64.3
788.19513	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	850.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	3.2
66.58477	0.9
68.39321	0.9
71.01854	2.4
109.02952	1.0
151.00377	4.7
178.99861	2.9
199.04027	1.8
206.43465	1.0
227.03485	2.0
243.02992	3.3
255.03169	2.3
259.98724	1.2
268.63367	1.0
271.02475	56.3
272.02841	3.5
284.07635	1.3
299.01971	100.0
299.99350	1.9
300.02612	22.2
301.03543	21.6
302.03766	1.6
462.08038	20.3
463.08545	5.0
595.21124	1.1
623.53149	1.3
625.14264	14.1
626.14459	2.2
787.19373	68.2
788.19983	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01109	2.0
59.01382	28.8
60.48225	1.2
61.98825	11.9
69.03435	2.1
69.44109	10.3
71.01387	27.7
71.05013	4.2
72.14980	1.3
72.99313	2.3
73.02947	7.6
75.00874	2.0
80.78887	1.3
81.03464	1.5
83.01379	3.3
83.05037	2.0
85.02950	8.8
87.00859	5.4
89.02440	17.1
95.01375	1.8
95.04991	1.6
97.02975	7.8
97.06578	3.1
99.00884	18.4
99.92578	1.6
101.02447	15.5
109.06598	1.7
111.00879	2.1
113.02445	12.7
116.92835	4.8
117.47194	1.2
117.92863	1.4
119.03481	4.9
125.02434	3.1
125.09721	8.1
133.24060	1.2
141.01903	1.4
142.02658	2.0
143.03490	3.5
161.04507	4.3
161.09741	1.4
163.11302	13.2
165.53648	1.3
176.19673	1.3
179.05659	1.3
181.12331	21.8
197.11819	3.3
199.13399	11.4
207.10258	45.6
208.10492	3.1
209.11757	2.1
225.11319	53.0
226.11578	1.6
227.12813	1.6
243.12364	23.1
368.40497	1.3
554.69073	1.4
623.25562	3.3
641.26001	2.2
807.40063	1.8
811.42804	2.7
849.37567	100.0
850.37885	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	21.8
61.30778	1.3
61.98832	52.5
62.79658	1.4
63.99244	2.8
69.03460	3.4
71.01379	18.2
71.05017	2.4
71.53931	2.0
71.54307	1.5
72.99310	2.2
73.02937	4.0
83.01392	3.4
85.02941	4.8
87.00870	3.0
89.02445	12.0
95.01371	2.0
95.05017	1.6
97.02946	5.3
99.00898	15.4
101.02431	12.6
107.60104	1.9
113.02473	7.2
116.92910	1.8
119.03464	2.7
125.02420	2.1
125.09735	6.1
125.63510	1.2
127.63719	1.5
153.12851	1.8
161.04555	2.1
163.11340	8.2
171.10298	1.5
179.10727	2.8
181.09834	1.5
181.12357	23.8
182.12653	2.1
197.11815	19.1
199.13405	15.2
200.13678	2.1
207.10257	28.1
208.10596	2.4
209.11911	2.2
221.06573	4.4
225.09229	2.9
225.11324	37.9
227.12939	9.5
235.08305	1.7
243.12370	22.8
247.44864	1.8
361.98029	1.6
397.13336	2.0
405.04999	1.5
498.01791	1.7
641.26538	3.6
770.14917	2.1
805.38403	12.7
806.38776	3.1
849.37695	100.0
850.37891	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
60.09040	1.0
61.98818	4.3
63.96237	2.5
71.01381	8.8
73.02956	2.3
74.53151	1.2
78.95885	2.1
78.98593	8.2
79.95736	26.4
80.96521	100.0
82.96102	2.0
85.02947	3.5
87.00839	3.2
94.98086	21.3
96.95992	1.3
97.02930	1.4
101.02428	2.3
106.98092	4.6
112.89792	1.3
122.97603	7.8
125.02420	4.9
127.04011	1.9
134.97592	7.1
144.73912	1.1
145.47757	1.3
148.99153	7.9
152.98636	7.7
164.98637	14.0
193.15280	1.2
206.99651	4.2
213.60355	1.4
225.00737	21.0
255.23257	1.5
257.93002	1.2
308.62952	1.2
341.05450	1.1
346.99405	1.4
537.27191	2.3
630.27496	1.3
812.42438	1.3
847.48743	96.5
848.49030	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.1
61.98824	2.4
63.96223	1.9
69.03446	0.7
69.39502	5.0
71.01379	10.8
73.02949	1.9
73.83266	0.6
78.95863	0.7
78.98595	7.7
79.95732	21.5
80.96516	100.0
81.03461	0.9
82.96104	1.6
85.02950	4.1
87.00880	4.7
94.98086	20.7
96.96016	1.7
97.02946	2.8
99.92239	0.6
101.02448	2.3
106.98081	3.6
108.67874	0.5
109.55510	0.5
110.29391	0.6
113.02481	0.6
122.97578	6.7
125.02433	3.4
126.22109	0.6
127.03986	1.0
134.97577	7.6
136.99115	1.6
148.99158	6.3
152.98625	6.7
161.80650	0.6
164.97310	1.1
164.98634	14.1
183.55629	0.7
206.99734	2.9
225.00740	19.5
226.01181	0.7
255.23183	1.4
259.68408	0.7
263.74948	0.6
283.05038	0.9
305.97864	0.6
337.19046	0.7
375.05258	0.6
537.27399	2.1
538.27234	0.9
591.25385	0.7
847.48724	92.9
848.49121	26.2
848.65662	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	847.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.2
61.98828	100.0
62.98545	0.2
69.84876	0.1
70.60719	0.4
71.01388	0.2
71.81406	0.1
76.93596	0.1
85.02993	0.1
86.50732	0.1
87.00917	0.1
88.08900	0.1
96.96002	1.5
98.95585	0.6
99.92577	1.7
101.02471	0.1
115.92068	1.1
116.92082	0.2
116.92859	1.9
117.92897	0.2
141.93646	0.1
154.22191	0.1
192.21144	0.1
228.40109	0.1
481.28214	0.3
809.42194	0.2
847.38080	0.2
871.82629	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	73.1
61.98821	9.1
66.86606	1.8
69.03471	4.9
71.01380	63.1
71.53587	2.7
72.99305	9.5
73.02937	25.9
75.00900	2.2
80.08104	2.0
83.01391	11.1
84.15018	1.8
85.02947	24.1
87.00871	6.0
89.02434	30.6
94.36353	2.1
95.01360	5.2
97.02982	5.5
99.00871	20.5
99.04527	2.0
101.02438	30.0
111.00879	4.3
113.02441	26.6
119.03487	8.2
124.01654	2.9
125.02443	6.0
129.01921	3.6
131.03516	12.9
143.03505	4.8
149.04543	68.8
150.04872	2.5
161.04572	4.3
166.27438	1.9
173.04604	2.4
205.07216	2.0
324.97156	2.3
467.29871	3.6
523.29187	7.4
581.32745	3.3
611.34491	11.3
629.35236	16.3
630.35486	2.8
739.35919	4.5
743.38556	100.0
744.38684	24.8
761.39447	45.5
762.39594	9.3
803.40552	8.1
823.40894	2.8
847.39716	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	846.449
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98526	0.2
71.01396	0.1
71.53666	0.1
74.32544	0.1
96.96033	0.2
100.32399	0.1
108.02053	0.1
116.92862	0.2
133.01547	1.0
134.04715	0.1
150.04221	2.0
150.93723	0.1
171.10396	0.2
189.92798	0.1
249.18835	0.2
293.21576	0.1
520.60895	0.1
711.39325	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	846.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.3
61.98830	100.0
62.98533	0.2
71.01379	0.3
73.60166	0.2
76.54945	0.1
89.02464	0.3
92.02568	0.3
93.19463	0.1
97.91382	0.1
99.00893	0.2
101.02508	0.2
107.03637	1.2
116.92855	0.3
117.38139	0.2
133.01569	0.5
134.04729	10.4
150.04240	0.8
151.02672	0.4
171.10321	0.4
181.12360	0.2
199.13400	0.3
207.10362	0.4
225.11400	0.6
234.64894	0.2
243.12456	0.4
249.18629	0.2
500.13181	0.2
556.19128	0.2
611.34369	0.2
711.39752	2.1
712.40326	0.3
717.09290	0.2
846.44025	0.9
847.46283	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	55.0
61.98837	2.4
63.14912	1.2
69.03469	3.8
69.62672	8.4
71.01385	59.4
72.99316	7.1
73.02950	17.0
77.46516	1.3
83.01384	10.0
85.02952	26.3
86.00104	1.3
87.00882	8.6
89.02448	32.5
93.03445	1.3
95.01382	5.0
97.02937	4.5
99.00886	15.8
101.02451	30.3
108.02177	1.5
111.00892	13.4
113.02459	18.6
115.04041	1.6
116.92898	1.3
119.03495	6.6
123.04548	2.1
124.01656	2.6
125.02423	6.9
129.01872	2.2
131.03520	3.5
143.03549	3.3
145.87981	1.4
149.04613	6.0
161.04515	1.9
165.99847	1.3
173.04556	1.8
174.02341	1.2
175.02498	1.2
191.05513	2.1
202.33086	1.3
220.79631	1.2
231.97691	1.4
233.06679	3.1
245.59146	1.4
351.58255	1.2
414.16110	1.3
443.64340	1.2
467.30072	2.4
500.03793	1.3
558.96680	1.5
581.33807	2.9
583.35046	1.5
599.34180	4.3
611.34161	5.0
629.35571	7.5
727.34955	2.1
739.34937	2.0
743.38574	100.0
744.39050	27.4
761.39594	43.8
762.40015	8.7
769.70868	1.5
775.41992	1.8
803.40393	12.1
804.40515	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	845.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01693	1.5
61.90150	1.0
61.98823	4.7
69.56071	2.0
69.56470	4.1
71.01381	69.0
72.99319	5.9
73.02931	2.0
78.95897	1.0
83.01389	2.9
85.02946	14.1
87.00880	3.4
89.02447	77.5
95.01394	5.1
96.96005	5.5
98.20646	1.2
101.02442	34.8
113.02449	27.1
119.03503	31.3
121.13494	0.9
125.02460	1.1
131.03488	2.9
143.03520	8.4
145.07468	0.8
149.04581	2.5
161.04553	6.6
179.05612	23.4
191.05606	1.7
209.57240	0.8
605.36914	15.9
606.37146	3.2
785.43268	40.2
786.43604	11.7
809.42084	4.2
810.41211	1.3
845.40747	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	845.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	23.7
71.01382	15.3
71.53055	0.8
72.29153	0.6
72.99281	0.9
73.02949	20.4
73.86115	0.6
83.01399	2.2
85.02951	65.9
86.03284	1.3
89.02439	5.8
94.87830	0.6
95.01378	2.0
99.00877	7.8
101.02448	8.0
103.04024	4.8
111.00867	0.9
113.02445	6.1
117.01944	8.7
119.03460	1.8
125.02457	0.7
129.01947	49.9
130.02255	1.0
143.03546	1.4
147.02997	100.0
148.03334	3.4
161.04619	1.4
215.02010	1.0
341.84079	0.7
449.28772	0.9
467.29987	1.8
611.34351	29.1
612.34576	6.3
629.35352	26.0
630.35651	5.6
671.36658	9.5
672.37024	2.1
769.36890	0.8
845.38367	2.6
846.38599	0.9
876.52173	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	64.7
59.24254	2.2
61.98816	11.3
61.99118	2.5
71.01379	62.6
71.54286	4.0
72.99303	7.5
73.02940	20.4
81.30939	2.3
83.01381	5.6
84.01040	2.5
85.02951	17.8
87.00878	14.2
89.02439	50.3
93.07182	2.7
95.01401	4.0
96.96040	3.9
99.00861	3.5
99.28717	2.6
101.02441	56.4
103.04002	9.7
106.81016	2.4
111.00906	4.8
113.02435	20.2
113.75816	2.8
114.96886	2.5
115.04036	4.0
119.03485	27.8
125.02441	6.3
129.38300	3.2
131.03471	6.7
134.02313	2.6
141.01924	6.1
143.03516	12.1
149.04480	3.0
159.02966	4.6
161.04539	5.0
162.05281	2.5
163.06128	34.3
179.05606	8.3
191.43068	2.5
197.02213	3.2
205.07141	19.4
244.28745	3.3
247.08437	2.9
265.09219	2.7
307.10278	3.0
308.11118	2.8
343.07983	3.0
362.63406	2.7
436.76340	3.0
483.29034	2.7
496.22632	3.0
609.32098	4.0
627.33643	5.1
643.33105	3.7
645.34998	8.3
773.39398	7.9
789.39514	15.8
790.39807	3.4
791.40387	3.2
807.40100	100.0
808.40131	29.6
843.37683	36.8
843.52271	3.4
844.38257	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	841.4588
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01155	1.7
59.01383	18.3
61.97959	1.8
61.98824	13.5
71.01388	27.6
71.53616	1.9
73.02942	2.8
83.01387	4.2
83.04985	2.0
84.47903	2.1
85.02930	12.1
87.94951	1.8
88.98814	2.9
89.02451	10.1
95.01390	2.3
96.96006	11.9
97.34010	2.0
99.00854	2.7
101.02446	17.3
102.50201	1.9
111.00862	6.2
113.02436	8.4
119.03493	2.0
123.08089	2.2
125.09715	5.5
131.41409	1.9
139.11267	3.4
143.03462	12.3
154.99654	1.9
158.49692	1.9
167.10756	2.7
185.11816	76.9
187.09828	2.3
209.11882	2.2
227.12875	2.2
229.10709	2.4
229.14420	16.3
264.92816	2.1
309.20523	3.3
429.06546	2.1
611.34229	4.3
612.34442	2.4
629.35266	10.8
663.41425	2.8
841.45856	100.0
842.46265	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.4747
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.1
59.88640	0.1
60.06207	0.1
61.98828	100.0
75.41522	0.1
78.95910	0.2
79.95754	0.1
80.96488	0.1
89.32434	0.1
99.79082	0.1
116.92880	0.4
196.89580	0.2
200.16475	0.1
308.87668	0.1
309.20901	0.1
310.34012	0.1
520.64642	0.1
581.99194	0.1
711.06836	0.1
739.00922	0.1
749.15710	0.1
841.41998	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	839.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	21.8
61.98824	5.0
64.31068	0.5
67.01195	0.5
69.03433	0.6
71.01383	26.4
72.99310	1.9
73.02948	6.6
75.00893	0.5
83.01395	4.6
83.05022	1.4
85.02956	13.1
86.00108	0.9
87.00886	1.7
88.49436	0.5
89.02441	10.5
95.01390	2.2
96.96035	1.1
97.02942	0.6
97.06599	0.7
98.20638	1.7
99.00890	2.2
101.02441	15.1
111.00876	2.0
111.08159	2.1
113.02441	8.3
119.03518	2.7
125.02487	1.0
129.01959	1.5
143.03479	0.9
159.02988	0.8
161.04587	1.6
163.11301	0.9
165.12846	15.3
166.13274	0.8
183.13895	100.0
184.14220	7.1
197.15488	1.7
207.10353	0.7
209.11841	9.4
227.12886	11.0
467.30081	1.2
611.34821	4.5
612.34705	1.2
629.35675	6.4
630.35895	1.5
661.43268	3.4
712.27081	0.6
839.47943	99.8
840.48267	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	22.7
61.32190	0.7
61.98830	11.0
69.03452	1.6
70.93239	1.9
70.93588	0.8
70.95520	0.8
71.01380	27.6
72.99307	2.4
73.02950	4.1
75.00871	0.8
83.01403	3.5
83.05030	1.4
85.02949	10.9
87.00886	2.0
89.02440	10.1
95.01382	2.1
96.96017	1.1
97.02973	2.5
99.00870	3.1
101.02435	13.5
109.06718	0.8
111.00895	1.8
111.08167	1.3
113.02458	8.5
119.03504	2.9
119.05065	1.1
129.01958	1.4
136.33575	0.7
163.11258	1.4
165.12848	13.3
183.13904	100.0
184.14279	5.9
197.15494	1.6
209.11829	13.8
227.12901	13.6
228.13179	0.9
253.09225	0.8
270.25381	0.7
275.81326	0.9
293.21326	1.1
309.82224	0.7
387.16663	2.6
397.13513	0.9
432.09540	0.9
611.34137	3.9
629.35193	6.9
630.35248	1.3
793.77771	1.0
839.47949	86.3
840.48248	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.7
61.98832	3.0
63.58827	0.2
67.01910	0.3
69.03465	0.3
71.01379	12.1
71.05013	0.3
72.99309	0.7
73.02940	2.4
75.00874	0.3
78.20168	0.3
78.95859	0.3
80.02656	1.4
81.03444	1.5
83.01385	2.0
83.05025	6.7
84.02187	1.4
85.02944	4.5
87.00878	1.0
87.93855	0.3
89.01915	0.6
89.02436	4.6
93.03462	0.3
95.01385	0.6
95.05026	1.1
96.96011	0.5
97.02944	0.9
99.00877	0.9
101.02444	6.0
105.37288	0.3
109.06608	0.4
111.00883	0.8
113.02452	7.3
119.03528	1.9
124.01602	0.4
125.02388	0.8
125.06067	0.5
129.01959	0.5
131.03452	0.4
135.08214	0.7
143.03481	2.1
147.11736	0.5
150.04811	0.3
154.99875	0.7
159.02980	0.5
161.04567	2.5
163.11293	5.5
165.12872	3.5
173.00861	1.0
179.05548	0.5
181.12350	1.0
191.10750	1.3
199.13429	0.5
207.10201	0.6
209.11818	100.0
210.12152	6.0
225.11322	0.5
227.12881	22.7
228.13176	1.4
289.77081	0.3
295.66846	0.3
336.02774	0.3
360.19147	0.3
440.61249	0.3
449.29196	1.1
456.77020	0.3
467.30139	2.3
468.30258	0.6
472.71817	0.3
505.04416	0.3
575.32831	0.4
611.34308	21.3
612.34613	4.5
629.35419	21.1
630.35748	4.2
787.75354	0.3
839.47406	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	14.8
59.77892	0.8
61.98829	2.6
65.26617	0.7
69.03447	1.4
69.69516	3.5
69.69928	1.6
71.01379	12.8
71.05023	3.6
73.02942	1.9
79.43939	0.8
83.01381	0.8
83.05049	1.3
85.02955	2.6
87.00875	2.6
89.02440	9.9
93.03428	0.9
95.01395	1.1
95.05026	4.1
97.02956	6.2
97.06580	7.6
98.20577	1.1
99.00882	46.6
101.02436	9.0
110.03724	1.1
111.04468	0.9
113.02426	3.0
117.07087	1.7
119.03504	2.6
123.04514	2.0
123.08143	1.2
125.02441	1.5
125.09736	5.8
126.89327	0.8
135.08186	5.1
142.02692	1.6
153.09222	14.1
153.12799	1.0
155.14389	1.0
161.04610	1.5
163.11284	8.1
171.10265	3.7
179.07129	2.0
181.12338	13.5
197.08179	8.8
197.11696	0.9
199.13414	11.0
200.13835	1.2
207.10251	26.9
215.09244	10.6
221.06700	2.7
225.11310	43.3
226.11641	2.5
243.12372	28.4
244.12605	2.2
399.53195	0.9
613.23676	2.0
621.92627	0.9
623.13959	1.0
623.25012	1.3
641.26678	2.5
755.09711	1.0
787.26697	0.8
821.34833	1.3
839.35474	100.0
840.35834	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	838.4595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.4
61.98830	100.0
62.42972	0.2
62.98536	0.3
67.17261	0.2
69.87691	0.8
72.90258	0.2
74.56007	0.2
78.95924	0.3
80.96523	0.2
82.58179	0.2
97.15459	0.2
98.20033	0.3
116.92872	0.5
117.92922	0.3
168.89294	0.2
191.05429	0.2
209.11929	0.2
241.12827	0.2
249.18683	0.3
270.57343	0.2
277.21631	0.9
278.22116	0.4
279.23325	0.2
339.85251	0.2
345.32330	0.2
514.06757	0.2
704.75586	0.2
764.53223	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98538	0.2
67.78703	0.1
71.95570	0.1
103.28334	0.1
126.35292	0.1
511.31448	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	838.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
61.91665	0.1
61.98829	100.0
62.98538	0.2
65.25214	0.0
71.01408	0.1
128.42513	0.0
140.23183	0.0
168.14839	0.0
220.97530	0.0
245.02649	0.0
330.87088	0.1
431.22150	0.0
775.41443	0.1
866.45544	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	21.5
61.98831	64.7
70.41839	2.2
71.01382	9.5
78.95902	6.4
80.96502	5.3
83.04996	2.8
85.02920	2.9
89.02444	3.9
94.98065	3.2
97.02934	15.4
97.66434	2.0
98.77029	2.1
100.98666	1.9
101.02429	6.3
111.08151	2.8
113.02432	4.1
116.92849	8.6
121.49326	2.4
123.04519	2.1
137.09697	7.5
171.10297	12.2
197.11777	7.5
200.64214	3.0
221.11768	3.1
233.15483	3.3
235.08264	4.4
246.78462	2.5
249.18591	100.0
250.18907	8.3
251.16537	3.2
253.09268	21.3
273.18439	3.1
277.21658	14.5
279.23322	3.3
291.19684	26.9
292.19995	3.5
309.20706	90.4
310.21060	6.4
714.18970	2.5
837.47565	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	837.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	16.4
61.56252	0.6
61.98829	9.6
62.19596	0.7
64.90456	0.7
69.03465	1.3
69.93336	1.5
69.93717	1.7
71.01380	18.5
71.05025	2.5
72.99295	1.3
73.02943	4.9
78.95926	1.0
80.96525	1.6
83.01379	3.1
85.02959	7.8
87.00864	2.4
89.02441	9.0
95.01382	2.0
97.02946	11.8
97.06584	1.7
99.00879	18.6
101.02444	10.6
109.06601	3.9
110.03738	2.5
111.00894	1.5
113.02462	9.3
119.03513	2.7
121.06585	0.9
123.04546	1.4
123.08186	1.1
125.02449	2.5
125.09731	5.7
135.08102	1.1
136.05333	2.0
139.07631	1.8
142.02718	3.7
143.03484	1.4
145.10275	1.0
161.04556	1.7
161.09737	2.0
163.07639	0.7
163.11273	12.4
179.05574	1.0
179.10732	1.3
181.12340	24.8
182.12665	1.7
197.11824	1.2
199.13419	3.5
207.10251	64.4
208.10553	4.6
225.11313	100.0
226.11626	6.5
243.12357	14.2
261.20157	0.7
277.21722	1.9
393.37909	0.8
397.13589	0.9
415.14508	1.5
434.75110	0.7
438.62943	0.7
467.30164	1.9
551.64624	0.7
559.19006	3.8
577.19800	2.1
595.66486	0.9
611.34363	18.0
612.34753	2.9
629.35376	14.7
630.36151	2.1
837.46405	61.1
838.46698	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	837.4641
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	0.9
59.01379	18.4
61.98831	6.2
69.03462	1.8
69.32590	3.3
71.01381	21.6
71.05016	2.0
72.99311	1.3
73.02943	4.5
75.00895	0.5
81.03463	0.6
83.01389	3.1
83.05008	1.0
85.02955	9.0
86.03275	0.5
87.00874	3.0
89.02448	9.3
89.88789	0.3
95.01383	1.9
95.05052	0.6
97.02953	10.0
97.04012	0.4
97.06597	2.5
99.00880	17.4
101.01788	0.8
101.02446	12.4
109.06576	3.2
110.03722	1.9
111.00896	1.0
113.02450	10.5
119.03518	3.0
121.06612	0.9
123.04496	1.9
123.08177	1.0
124.01652	1.2
125.02443	2.6
125.09720	5.8
129.01961	0.5
131.03502	1.0
135.08157	1.4
136.05281	2.2
137.06168	0.5
139.07652	8.1
142.02737	4.0
143.03491	1.8
145.10223	0.6
151.07680	0.8
153.32933	0.5
155.14334	0.4
159.02983	0.8
161.04541	2.4
161.09721	1.2
163.11290	12.2
164.11620	0.5
179.05650	1.8
179.10783	1.2
181.12340	21.8
182.12653	1.7
189.09315	0.5
197.11801	1.3
199.13348	1.9
203.05586	0.4
207.10257	65.6
208.10588	4.4
209.11914	0.9
221.06648	0.6
225.11311	100.0
226.11646	7.0
235.08295	0.6
243.12367	14.6
244.12743	0.7
277.21704	1.5
379.12469	0.7
397.13327	1.3
415.14709	0.6
437.08035	0.4
449.28986	0.5
466.44333	0.5
467.30212	1.4
481.28061	0.5
559.18744	7.2
560.18628	1.3
575.31506	0.4
577.19861	2.9
611.34332	19.7
612.34558	4.0
616.24304	0.4
629.35413	14.4
630.35913	2.7
651.63165	0.4
659.42120	0.6
671.35974	1.0
837.46399	61.5
838.46808	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	837.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	16.4
61.98829	9.3
67.00409	1.2
69.03452	2.2
70.92941	1.3
70.93259	2.0
71.01385	14.4
71.05016	2.8
72.99319	2.2
73.02932	1.9
83.01372	1.7
83.05044	1.3
85.02956	3.7
87.00867	1.8
88.13918	1.0
88.98782	1.3
89.02441	9.5
90.97282	1.1
95.05027	3.8
96.96008	1.5
97.02925	4.4
97.06593	6.2
99.00877	17.7
101.02451	9.8
113.02426	3.5
119.03529	1.8
122.06115	1.9
123.08160	8.5
125.09727	4.0
133.06593	1.4
135.08179	1.3
136.07664	1.2
151.07620	4.1
153.09183	4.0
158.69289	1.3
161.04515	1.2
163.11322	5.7
169.08713	10.1
173.04504	1.4
179.10776	1.9
181.12335	10.4
181.42296	1.1
182.12598	1.5
191.05600	1.5
197.08189	1.9
197.11818	12.2
199.13368	10.2
200.13800	1.4
207.10251	18.3
215.09230	1.9
221.06694	3.0
225.11317	28.5
226.11681	1.3
242.10712	1.4
243.12381	18.1
243.24123	1.1
244.12749	1.6
257.12915	10.9
301.11957	12.7
302.12204	1.4
354.07840	1.1
399.79919	1.4
558.11340	1.2
634.20258	1.2
675.28552	2.1
793.34741	2.6
837.33923	100.0
838.34387	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.98532	0.2
78.95892	0.1
80.96523	0.6
99.05972	0.1
110.11148	0.1
126.89597	0.1
127.00023	0.1
209.05045	0.1
277.21783	0.2
283.26074	0.1
338.71771	0.1
551.85065	0.2
556.99146	0.1
557.45465	0.1
786.45325	0.1
837.48053	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.4
61.98823	3.4
69.84537	7.0
71.01374	4.7
80.05041	1.8
89.02450	1.9
93.03517	1.4
96.96008	2.7
106.06628	16.0
108.04578	4.2
108.08182	1.7
132.04616	2.2
134.06143	6.8
144.08229	3.0
150.05600	4.5
152.07205	2.7
159.09261	4.9
160.04031	23.1
160.07613	7.4
161.04535	1.6
162.05588	5.0
169.07703	2.4
174.05550	1.6
176.07141	5.6
185.07228	1.7
187.06331	1.5
187.08786	7.3
188.07152	2.0
190.05211	1.8
191.05635	5.1
203.08263	4.0
211.08762	2.7
214.53249	1.3
227.11897	3.8
237.06700	1.6
239.08269	5.5
239.11877	2.0
241.09804	7.5
251.11653	1.3
252.08978	16.5
253.09799	7.6
265.09830	3.1
267.11383	43.5
268.11777	5.1
269.12912	7.6
277.09674	1.8
295.10941	3.8
311.10461	6.0
313.11938	15.2
314.12164	1.6
339.13495	2.2
366.12024	1.8
435.18176	1.5
614.23383	2.3
632.24390	1.8
757.26160	1.4
775.28381	26.8
775.41620	2.6
776.16095	1.4
776.28625	8.1
793.29370	100.0
794.29639	24.4
846.01752	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	835.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	31.5
59.87053	1.9
61.98825	8.4
68.63028	1.8
71.01384	8.1
72.74207	1.7
74.51967	1.8
87.63551	1.9
89.02435	3.7
96.61867	1.9
97.06602	3.3
98.20760	4.2
101.02435	6.4
104.20300	1.7
107.36978	1.9
109.93557	1.8
113.02469	3.2
116.92858	4.2
119.03489	2.1
121.06689	2.1
125.09744	5.0
137.09782	2.5
138.74789	1.9
161.04543	2.8
163.11264	5.8
185.11884	4.6
191.14436	8.8
207.05737	1.9
209.11919	11.2
225.11308	3.8
237.11240	2.8
237.17914	2.0
245.19118	16.8
249.18584	100.0
250.18861	8.7
253.09317	18.1
253.21664	5.5
263.20074	3.8
271.17075	2.3
277.21722	8.0
284.95300	2.1
289.18100	85.0
290.18381	7.4
301.25790	1.9
307.19156	62.1
308.19458	4.9
334.39786	1.7
378.02341	2.1
506.22427	2.1
506.33051	2.2
543.28406	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	835.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	0.7
59.01381	16.7
61.98829	5.6
67.01883	0.6
69.03462	3.1
71.01384	22.5
71.05009	1.8
71.53415	0.7
72.99291	1.2
73.02947	4.5
74.66097	0.5
78.95887	0.5
83.01405	2.6
83.05032	0.8
85.02454	0.7
85.02949	10.2
87.00880	1.5
89.02449	9.8
93.03416	0.5
95.01391	2.1
95.05025	0.7
97.02941	0.9
99.00901	2.1
101.02444	12.2
101.04971	0.4
105.01923	0.8
107.95377	0.5
109.06596	0.7
111.00892	1.5
113.02456	12.8
119.03529	4.3
124.01653	1.1
125.02440	1.7
125.09749	0.6
126.02763	0.5
129.01967	1.1
131.03485	0.4
143.03516	2.5
149.09700	0.8
159.03035	0.7
161.04578	3.4
161.13400	0.6
167.10779	5.0
177.04074	0.4
177.12860	1.3
179.05609	0.8
179.10733	1.6
179.14407	5.0
195.13914	14.6
196.14355	1.0
205.12320	11.6
206.12656	0.9
209.11813	1.0
223.13390	100.0
224.13747	7.5
227.20012	0.5
397.13541	0.5
449.29221	1.5
467.30246	4.4
499.33902	0.5
510.33990	0.5
547.32294	0.5
575.33051	0.5
611.34338	44.1
612.34760	9.8
629.35443	35.8
629.46222	1.0
630.35760	6.3
835.48560	2.0
836.49127	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	1.8
59.01379	41.3
61.03109	0.7
61.98832	7.3
69.24400	5.0
69.24804	1.3
69.81494	0.6
71.01384	35.7
72.99305	3.6
73.02940	5.4
75.00874	6.7
83.01382	3.1
85.02950	11.4
87.00860	3.4
89.02448	22.8
93.03426	0.9
95.01378	3.1
98.19934	1.5
99.00872	3.2
101.02448	19.1
102.02798	0.8
111.00875	1.1
113.02453	12.8
119.03522	8.1
122.88253	0.8
125.02415	2.1
126.32785	0.7
129.01933	1.5
143.03510	1.4
161.04547	1.6
179.05547	1.6
191.05589	2.8
197.11990	0.8
209.11786	2.6
343.85422	0.8
483.29639	8.7
484.30313	1.9
562.89618	0.7
627.33966	1.4
645.34882	100.0
646.35297	20.8
775.39899	1.4
793.41388	1.2
835.35901	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	835.361
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	1.6
59.01380	54.0
61.98835	5.9
71.01382	38.6
71.01776	1.9
71.02350	1.6
72.99310	3.0
73.02943	7.0
75.00871	7.1
79.97368	0.7
83.01374	3.8
85.02962	13.4
87.00871	3.1
89.02444	21.0
95.01391	3.6
97.02963	1.1
99.00880	3.0
99.52225	0.7
101.02451	21.1
103.49548	0.7
111.00864	1.4
112.07583	0.7
113.02457	17.3
119.03506	8.8
124.01642	1.2
125.02429	1.7
129.01955	1.5
131.03473	0.9
135.04510	0.9
143.03503	2.1
161.04553	2.8
179.05571	2.2
191.05563	1.5
197.11833	1.9
209.11859	1.4
248.27234	0.8
255.11281	1.1
281.21362	0.9
408.55719	0.8
465.29016	0.8
467.00909	0.7
476.76276	1.1
483.29599	11.6
484.30051	1.9
563.64148	0.8
627.33618	8.7
628.34290	1.3
645.34906	100.0
646.35175	21.6
646.45734	1.5
663.36212	4.3
687.35883	2.8
705.36871	3.6
835.32306	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	835.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00572	1.8
59.01378	53.9
61.98825	2.9
62.60332	0.8
71.01384	38.4
71.53923	1.2
72.99313	4.2
73.02946	3.6
75.00872	9.0
83.01396	2.7
83.51751	0.8
85.02950	12.5
87.00882	3.3
88.98802	0.8
89.02448	28.7
89.21389	0.8
95.01378	2.4
99.00895	2.7
101.02444	20.0
111.00832	1.1
113.02454	14.0
113.86691	0.8
119.03506	11.1
125.02520	0.8
129.01915	0.9
130.36864	0.9
135.04532	1.4
143.03500	1.4
159.97401	0.9
161.04541	2.2
170.40480	0.9
173.04510	1.2
179.05624	3.7
191.05661	1.6
197.11838	1.3
206.04619	2.3
241.10773	1.1
309.08850	2.6
322.12976	1.0
353.07599	1.4
385.10278	1.5
391.99045	0.8
443.81055	1.1
483.29633	5.6
484.29736	1.2
519.93909	0.9
533.17725	2.9
627.33411	2.2
645.34900	100.0
646.35272	19.7
663.36011	2.1
705.37659	1.6
867.85284	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37868	0.5
61.98830	100.0
62.96911	0.6
64.66082	0.5
70.23324	1.5
80.70817	0.5
85.13449	0.4
85.71934	0.4
93.77904	0.4
98.20571	0.8
107.01402	0.8
151.00378	2.0
178.99899	1.2
187.03954	0.6
227.03534	7.8
239.03442	0.6
255.02991	26.1
255.15816	0.6
256.03403	2.3
257.04523	1.1
283.02484	28.8
284.03247	31.2
285.03983	16.6
286.04459	1.2
326.04318	1.0
429.08176	1.0
446.08481	3.7
447.08835	0.8
518.39508	0.5
539.60992	0.5
609.14581	68.9
610.14862	12.7
771.20081	2.8
772.20093	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
59.42247	0.3
61.98829	100.0
62.79418	0.3
62.92759	0.3
70.93600	0.9
90.80567	0.3
93.03468	0.4
107.01391	1.2
117.03438	0.4
151.00323	1.9
162.94025	0.8
163.00352	0.5
178.99847	0.5
183.04517	0.7
187.04002	0.4
211.04002	0.9
227.03470	6.3
229.05066	1.1
239.03514	0.5
241.05058	0.4
255.02971	22.2
256.03311	2.2
257.04584	1.4
283.02457	29.7
284.03217	26.2
285.03995	27.2
286.04434	1.9
327.04825	0.6
372.73303	0.4
429.08325	0.4
446.08472	4.2
447.09192	1.2
609.14563	68.7
610.14978	12.7
771.20032	5.4
772.20361	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	834.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
70.22952	1.3
107.01392	0.8
151.00391	2.2
178.99936	0.8
183.04570	1.2
187.04066	0.6
211.04114	1.0
213.05588	0.7
227.03487	6.9
229.05093	1.5
239.03612	0.4
255.02988	23.6
256.03394	2.7
257.04681	1.1
283.02475	31.2
284.03229	30.8
284.06503	0.8
285.04010	31.5
286.04358	2.6
327.05093	0.6
429.08374	0.7
446.08475	3.1
447.09158	1.1
609.14581	55.2
610.14941	8.8
651.16583	0.6
771.19739	3.8
772.20624	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.5423
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	15.5
61.98828	6.6
67.28329	0.3
68.69076	0.3
70.26080	0.6
71.01359	2.0
73.02934	0.4
78.95901	1.0
79.95738	0.5
80.96510	1.3
89.02432	0.9
93.06405	0.3
93.33958	0.4
94.98083	0.4
101.02442	1.5
113.02435	0.6
115.07135	0.3
122.97581	0.5
152.99577	0.6
161.04590	0.5
177.50807	0.4
233.22440	0.4
235.08168	1.0
240.46162	0.4
241.01085	0.5
253.09271	3.8
255.23415	0.6
259.20764	0.4
277.21704	100.0
278.22052	10.6
278.24384	0.2
279.23071	0.8
300.21649	0.4
513.30792	0.4
747.37610	0.4
833.51044	1.5
834.51630	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.4176
Annotation	Cleistrioside 2
Peak:m/z	Relative Intensity
58.00583	3.6
59.01379	86.3
60.01706	1.3
61.98825	6.6
68.99827	0.8
69.03458	5.0
71.01382	100.0
72.01716	1.9
72.99310	7.5
73.02943	20.4
75.00884	3.2
81.03453	2.7
83.01387	12.1
84.02194	0.8
85.02951	43.1
86.00102	2.6
87.00878	12.0
88.98838	0.8
89.02446	42.5
90.02746	0.9
93.03411	0.8
95.01386	8.8
96.96031	2.1
97.02953	8.5
98.95614	1.2
99.00877	9.9
99.92568	0.9
101.02444	55.5
102.02766	1.2
109.02950	0.9
111.00879	5.2
112.01657	1.0
113.02452	42.0
114.02784	1.1
115.04028	0.9
115.92099	1.9
116.92849	3.6
119.03503	12.3
121.85265	0.8
123.00872	1.0
124.01675	3.4
125.02447	14.1
129.01932	3.6
130.72560	0.6
131.03502	2.7
137.02440	1.0
139.03900	0.7
141.01982	1.9
143.03496	7.7
149.04555	1.6
159.03018	2.3
161.04561	13.3
179.05624	5.6
197.11810	0.8
203.05586	3.2
221.06656	2.8
229.06139	0.9
235.08214	1.7
245.06670	2.7
263.07712	0.8
279.60165	0.6
305.08878	1.6
350.31638	0.7
467.30093	5.0
468.30170	0.9
520.78046	0.9
575.32172	1.8
610.62305	0.8
611.34375	17.2
612.34271	3.6
615.10693	0.9
625.47467	0.7
629.35413	26.5
630.35724	5.1
671.36426	1.6
672.36432	1.0
699.34918	1.0
773.39600	93.3
774.39996	21.7
791.40686	73.3
792.41040	15.9
833.41528	8.3
834.41925	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	833.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01120	1.8
59.01384	25.4
61.98818	2.0
71.01382	31.2
73.02941	4.7
83.01382	3.8
85.02944	11.5
87.00867	1.6
89.02446	12.0
95.01374	2.3
98.20280	10.3
99.00844	5.0
101.02443	17.3
101.03938	2.6
113.02482	8.2
115.04810	2.6
115.05534	25.7
119.03465	4.4
129.01904	4.6
129.03465	2.0
131.05023	9.1
131.13759	1.5
133.06596	72.5
134.06918	3.9
140.25090	1.4
142.48100	1.6
147.04506	9.0
157.02904	1.6
158.03784	11.6
159.04524	76.0
160.04822	4.9
164.26353	1.7
175.03992	6.9
177.04097	1.7
177.05548	5.8
185.02438	15.1
185.23730	1.5
203.03502	17.6
258.42859	1.6
329.60675	1.5
381.08255	3.5
467.30066	3.6
629.35419	39.2
630.35919	9.9
833.39618	100.0
834.39813	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	1.7
59.01380	100.0
59.84036	1.0
60.01703	1.6
61.98818	1.6
67.01910	1.1
69.03448	1.1
69.97376	4.0
71.01382	57.4
71.67202	1.3
72.99296	3.2
73.02950	22.3
75.00867	4.1
83.01363	6.9
85.02948	18.4
87.00883	6.4
87.65253	1.1
89.02445	26.8
89.52647	1.1
95.01393	5.9
97.02956	2.9
98.19906	1.3
99.00882	2.9
101.02450	26.8
107.70188	1.2
111.00894	4.3
113.02455	31.2
119.03509	10.1
124.01688	1.8
125.02450	3.8
129.25449	1.2
131.03482	1.4
141.01961	2.3
143.03506	5.8
149.04599	1.3
159.03006	2.0
161.04530	8.4
179.05557	1.7
204.69089	1.2
229.63971	1.1
319.13943	2.5
373.54147	1.0
383.20621	1.5
393.39581	1.1
463.26886	1.7
481.28061	1.4
625.32141	8.3
643.33325	12.6
644.33691	3.1
661.34760	2.3
684.66077	1.3
685.34662	1.8
703.35938	3.6
733.66174	1.4
745.36780	2.0
799.57977	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	833.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	1.7
59.01382	100.0
61.98841	3.4
65.17547	0.7
69.03462	1.4
71.01384	54.8
72.01722	0.8
72.99313	3.7
73.02946	37.4
75.00861	4.1
75.62303	0.6
81.03468	0.7
83.01389	11.8
83.05022	0.8
85.02949	13.2
86.00117	0.9
87.00884	4.9
89.02449	24.4
95.01412	3.1
97.02980	2.2
98.19928	1.3
99.00892	2.7
101.02447	39.0
109.06588	8.9
111.00928	2.0
113.02454	29.7
116.92919	0.7
119.03508	10.9
125.02474	2.6
129.01936	0.8
131.03522	5.4
141.01926	1.2
143.03494	7.1
149.04539	3.8
155.03482	1.1
159.03085	0.9
161.04573	11.8
179.05551	5.7
191.05743	1.1
195.10291	0.9
203.05676	0.8
221.06754	1.8
252.09151	0.7
252.64201	0.7
255.67035	0.6
265.26254	0.8
267.11371	0.7
293.37045	0.7
299.22501	0.7
387.20428	4.9
388.20685	0.8
481.28339	2.3
523.29517	2.3
625.32471	1.5
643.33032	4.6
644.33850	1.6
661.34906	2.3
685.34595	1.9
703.35620	3.6
773.40375	1.2
833.29626	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	2.2
59.01380	42.0
61.98844	3.6
66.43562	0.6
68.99795	1.0
69.03454	2.6
71.01382	46.1
72.01733	0.8
72.99316	2.8
73.02944	9.3
75.00854	1.0
79.95740	1.5
81.03461	0.9
83.01404	5.9
85.02952	20.2
86.00108	1.9
87.00875	6.2
89.02443	17.9
90.32748	0.7
95.01384	4.7
96.96012	46.2
97.02948	4.2
97.95953	0.9
98.20668	1.5
98.94951	1.6
98.95595	19.9
98.96428	3.2
99.00871	5.3
99.68913	0.7
99.92586	34.7
100.92619	1.5
100.93340	2.4
101.02438	27.4
109.02946	0.9
109.57436	0.7
111.00880	3.0
113.02448	20.4
115.92076	42.5
116.92860	100.0
117.92867	5.0
119.03516	5.4
123.00889	0.9
124.01668	2.1
125.02462	6.9
129.01947	1.7
131.03499	2.0
132.92296	0.9
140.92876	0.8
141.93639	1.4
142.94421	2.0
143.03519	4.0
149.73975	0.8
159.02974	1.6
161.04539	5.6
169.93221	0.8
170.93878	1.0
173.44853	0.7
179.05640	1.9
184.91927	1.6
184.95563	0.8
202.03564	1.6
203.05580	1.2
221.06653	1.3
235.08368	1.6
242.95802	1.2
244.97389	0.8
259.96246	1.9
366.60620	0.7
414.09946	1.1
415.10733	0.9
421.28311	0.8
467.29913	1.6
507.16879	1.0
551.23505	2.3
593.24323	1.3
611.34320	8.2
612.34491	1.9
629.35425	12.3
630.36102	2.7
631.35883	0.8
671.36591	0.8
679.28314	0.9
711.26392	3.9
747.28571	3.4
753.28357	1.6
773.39618	45.0
774.40039	9.7
789.29767	6.3
790.30286	1.5
791.40723	39.9
792.40723	7.1
833.29205	11.9
833.42200	4.7
834.28174	3.7
834.43524	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	831.5023
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50539	0.7
59.01394	1.4
69.46712	0.6
70.73714	1.4
71.01382	4.3
73.02942	0.7
77.75037	0.6
78.95905	78.6
78.98584	2.1
79.95735	6.0
80.96519	28.3
85.02968	1.2
87.00880	1.6
88.51698	0.6
94.98109	3.1
96.96961	16.5
99.00877	0.7
113.02448	0.8
122.97588	3.1
125.02428	1.0
134.97540	2.0
134.98486	1.0
141.01920	1.0
148.99150	1.6
152.99608	19.2
164.98610	2.6
206.99725	1.1
208.98666	0.6
223.00182	7.5
225.00766	3.3
241.01202	28.4
242.01654	1.0
253.21686	1.4
255.23299	52.7
256.23587	4.7
259.02148	2.0
275.20309	0.8
277.21725	31.0
278.22076	2.7
278.93912	0.6
279.23410	1.4
297.03900	1.3
326.21170	0.6
331.71085	0.6
356.06195	0.7
391.22662	6.2
392.22800	1.0
413.20801	1.4
415.22433	0.6
462.01218	0.7
553.28040	4.8
575.25830	1.5
582.67651	0.6
622.56262	0.6
813.48364	0.7
831.50104	100.0
832.50470	28.1
832.66284	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	831.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	8.0
63.96228	2.5
66.05058	1.2
66.92576	1.1
70.18347	3.3
70.18763	2.0
71.01379	9.3
73.02924	2.3
78.95912	1.8
78.98595	8.0
79.95741	23.9
80.96516	100.0
82.96095	1.1
85.02946	3.0
87.00882	3.1
94.98086	21.6
96.95966	2.1
97.02923	1.7
101.02434	2.3
106.98067	4.6
122.97575	7.6
125.02428	3.7
127.04050	1.4
134.97548	5.9
136.03642	1.3
136.99205	1.6
146.97533	1.3
148.99170	7.0
152.98648	10.4
161.04501	1.5
164.98624	12.6
206.99644	2.3
225.00726	19.7
255.23245	2.3
283.04904	2.2
537.27045	1.9
555.29858	1.3
667.37079	1.3
831.49310	93.3
832.49615	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.2
61.98832	9.4
63.96238	2.4
70.19997	1.5
71.01383	9.6
71.88990	0.7
72.99333	1.2
73.02940	2.4
78.95905	2.0
78.98589	7.4
79.95741	27.1
80.96519	100.0
81.03449	1.4
82.96085	1.1
84.00896	1.6
84.95119	1.0
85.02963	3.4
87.00867	4.2
89.55730	0.6
94.98090	22.8
96.96003	1.6
97.02943	1.7
99.00874	1.2
101.02442	2.1
106.98087	4.6
122.97596	8.7
125.02448	3.6
127.03989	1.3
134.97603	6.8
136.99129	1.3
144.48007	0.5
148.99142	8.4
152.98633	8.0
164.44386	0.6
164.97324	1.1
164.98637	15.3
179.00212	0.6
206.99738	4.3
223.92830	0.7
225.00745	21.5
226.00967	1.0
255.23366	2.3
283.04898	1.6
341.05295	0.8
354.24930	0.7
459.14502	0.6
495.37265	0.6
511.30157	0.6
537.27374	1.6
538.26764	0.6
575.25165	2.1
609.29944	0.6
729.90308	0.6
757.79187	0.6
811.13226	0.7
831.49341	96.8
832.49683	29.4
832.65997	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.4564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.1
61.98830	17.8
65.01418	0.5
71.01385	1.6
71.54292	0.5
71.54646	0.4
72.96806	0.4
78.95905	1.9
83.05043	0.7
85.02956	0.7
87.00889	0.5
88.98827	0.5
89.02440	1.0
92.02553	2.8
96.96035	0.5
98.02461	1.2
101.02437	1.3
107.03639	10.4
113.02463	0.9
114.95912	0.4
116.92832	0.6
121.02956	3.9
122.03307	0.7
122.97604	0.6
134.04730	100.0
135.03165	2.0
135.05161	3.0
152.99652	0.6
163.11363	0.7
171.10385	0.5
191.05608	0.5
192.07767	0.6
201.11378	1.5
209.04495	0.7
209.11818	25.2
210.12183	1.5
219.96825	0.4
222.11365	0.6
227.12779	3.1
241.01361	0.5
249.18578	12.9
250.18921	1.0
253.09302	2.8
253.68892	0.5
255.23370	1.1
277.21686	1.3
316.16531	0.5
329.65320	0.4
334.17517	0.7
401.08792	0.5
402.09021	0.8
438.66467	0.5
445.20911	0.5
612.34845	0.5
629.36218	1.3
630.35693	1.9
831.50354	1.1
841.30573	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.1
61.98829	3.9
65.01461	0.7
70.09858	1.6
71.01389	1.3
78.95903	0.7
79.95747	0.4
83.05011	1.0
88.98802	0.5
89.02422	0.6
92.02559	2.3
94.37807	0.4
101.02436	0.5
107.03629	11.3
113.02411	0.5
116.92865	1.0
123.04568	0.5
134.04729	100.0
135.05141	2.2
163.11284	0.5
171.10236	3.7
172.10622	0.9
201.11348	0.8
209.11819	26.6
210.12187	1.6
212.50687	0.4
227.12869	3.4
249.18587	13.6
250.18953	1.3
253.09229	1.9
268.32901	0.4
277.21707	1.2
278.22110	1.5
296.06857	0.5
298.35910	0.3
303.63190	0.4
311.22229	3.0
312.22559	3.2
313.23199	1.3
355.25555	0.4
393.02429	0.4
445.20813	1.1
502.29120	0.4
503.29922	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.0
61.98827	5.9
71.01399	1.5
75.05821	0.7
78.95895	8.9
85.02946	0.8
96.95995	2.0
98.21223	0.6
102.05603	0.7
104.03505	0.8
114.05600	1.7
116.92863	1.2
121.10252	1.2
125.09713	2.6
127.11263	3.3
134.04738	4.3
136.67171	0.7
137.09753	0.9
139.11285	8.5
152.99599	1.5
155.10765	1.3
159.84525	0.6
162.77295	0.6
165.20673	0.7
168.04269	1.4
171.10266	55.8
172.10582	2.1
183.10234	2.2
185.11818	4.1
201.11316	9.7
209.11771	1.3
224.06952	2.8
231.16261	0.7
241.14595	0.7
249.18588	2.0
275.20132	2.8
277.21704	22.6
278.21967	2.2
291.19501	0.8
293.21207	6.1
294.21371	0.7
309.20563	0.7
310.21100	1.5
311.22260	100.0
312.22577	9.0
502.29373	24.4
503.29507	3.2
551.00885	0.7
627.46411	0.7
828.46338	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	13.4
61.98832	4.3
69.03465	1.4
70.81991	1.6
71.01384	14.1
71.05016	1.9
72.99309	1.5
73.02936	3.2
73.03310	0.9
83.01384	2.4
83.04983	0.8
85.02954	5.3
89.02446	5.8
95.01387	1.0
95.05023	9.3
96.96025	1.8
97.02956	2.0
97.06589	18.6
98.20248	1.4
99.00885	54.0
99.08139	1.4
100.01244	1.5
101.02423	6.8
103.12647	1.0
107.05042	0.9
111.00848	0.9
113.02449	4.0
117.07105	2.4
119.03491	2.0
123.04522	2.9
133.06613	1.2
135.08176	10.1
139.07617	2.4
142.02658	1.3
153.09212	24.0
154.09575	1.3
171.10240	10.1
179.05667	1.0
179.07130	3.6
197.06569	1.4
197.08202	17.9
215.09232	16.7
223.95610	0.9
344.88608	0.8
413.52094	0.8
570.03015	1.0
629.35284	2.8
630.35956	1.1
649.39233	1.9
827.44312	100.0
828.44586	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	827.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86721	0.7
59.01377	12.4
61.98534	0.9
61.98827	11.0
62.10988	0.8
65.61002	0.7
67.01846	0.9
69.03447	2.5
70.35603	1.1
71.01379	13.3
71.04993	2.2
72.99315	1.2
73.02930	2.7
75.00872	1.4
83.01382	2.3
84.95104	2.0
85.02963	5.9
89.02451	4.9
95.01350	1.1
95.05022	10.7
96.05376	0.8
96.95987	2.2
97.02956	4.2
97.06589	15.9
98.19857	0.8
99.00880	48.3
99.08154	1.0
100.01171	1.3
101.02433	7.4
103.94900	0.8
111.00839	2.5
111.08119	1.1
113.02459	4.2
117.07075	2.5
119.03467	1.3
123.04514	2.4
125.09668	0.9
127.11259	1.7
129.01915	2.0
133.06593	1.4
135.08157	8.5
139.07637	2.5
141.01944	1.7
142.02701	2.0
153.09215	24.7
155.07144	0.9
171.10249	7.2
174.26976	0.8
179.07144	4.8
197.06543	1.5
197.08191	15.0
198.08513	0.9
215.09258	20.7
216.09625	0.7
301.36288	0.7
341.23340	0.8
375.12939	2.7
629.35205	2.7
827.44305	100.0
828.44690	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07905	0.3
59.01376	5.6
61.98831	5.4
67.01894	6.2
68.68321	0.3
71.01380	5.0
71.51629	0.7
73.02937	0.6
79.95769	0.4
83.01380	0.6
85.02948	7.8
89.02451	2.0
93.03450	0.4
95.01378	0.4
96.96012	1.2
99.00867	0.8
100.86101	0.4
101.02457	2.5
101.04104	0.4
101.34708	0.4
111.00880	100.0
112.01213	2.2
113.02429	2.3
119.03499	0.6
123.31902	0.4
125.02454	0.4
129.01942	2.1
131.08301	0.5
139.07643	0.9
143.03487	0.6
153.09166	0.5
155.07159	0.4
161.04570	0.9
199.13321	0.7
224.24953	0.4
467.29990	0.4
472.35364	0.4
522.25238	0.4
526.26257	0.4
611.34399	10.9
612.34106	2.2
629.35376	7.5
629.45013	0.7
630.35681	2.5
671.36273	3.0
672.37061	0.9
827.44666	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	19.5
61.98833	33.9
67.78412	1.7
71.01373	14.0
72.99312	2.2
73.02927	11.1
75.34579	1.7
85.02941	3.9
87.00863	4.5
87.04479	2.1
89.02442	10.1
101.02450	13.9
103.04023	3.9
113.02463	3.2
114.60628	2.0
115.03998	2.2
119.03494	3.7
131.03490	3.3
143.03479	6.2
163.06116	10.9
165.66010	1.6
184.36455	2.1
205.07179	6.7
326.19669	2.0
347.27231	1.8
523.63171	2.3
629.35541	3.4
645.18036	2.0
645.34924	2.9
791.40649	100.0
792.41071	32.8
827.38519	30.2
828.38440	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	825.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	28.3
60.66899	2.4
61.98831	26.5
69.03438	2.5
71.01388	32.6
72.99307	5.5
73.02947	4.3
78.95914	2.9
80.21593	2.8
83.01383	3.2
85.02957	15.9
89.02438	10.5
95.01388	2.6
95.05014	3.3
96.96014	6.5
97.02880	3.4
97.06566	6.1
99.00853	2.9
101.02444	13.8
102.05612	10.7
113.02455	11.8
114.05585	10.3
119.03474	3.1
123.32494	2.2
129.01927	3.6
130.08736	2.3
140.07132	2.4
151.11292	17.2
155.10796	2.8
169.12340	82.3
170.12595	3.2
171.10255	34.4
172.10512	3.9
178.08566	2.4
185.11804	8.2
197.11787	8.2
209.11780	21.2
213.11296	19.1
227.12759	4.0
249.18529	2.6
253.09227	5.3
277.21701	10.4
295.15671	2.9
373.14914	2.7
445.21368	2.5
466.33917	3.1
514.34393	2.3
550.16071	2.7
611.34479	16.8
629.35400	10.1
630.35956	2.7
645.83270	2.5
710.37946	8.1
778.06848	2.4
825.46387	100.0
826.47015	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	26.0
61.98829	10.9
69.03451	2.0
71.01377	26.0
72.99277	1.3
73.02943	5.4
75.62259	1.1
78.87498	1.2
83.01373	3.8
85.02953	9.4
86.00085	1.2
87.00854	1.7
89.02446	7.8
89.57059	1.3
95.01386	2.7
95.05018	1.8
96.95986	4.7
97.02909	1.5
97.06593	5.8
98.19760	2.3
99.00858	2.4
101.02442	13.8
105.67301	1.1
111.00866	2.1
113.02444	7.6
114.05604	3.4
119.03505	2.3
125.02420	2.0
125.09754	1.6
140.07094	1.4
151.11267	14.7
162.93411	1.2
169.12329	77.2
170.12668	3.9
171.10271	16.4
185.11804	3.7
195.10265	2.0
213.11296	14.5
235.07925	1.3
240.08467	1.3
253.09335	3.0
297.17105	2.3
325.19797	1.3
373.15018	1.4
392.47794	1.3
611.34637	7.5
612.34283	1.9
629.35474	7.0
647.41949	2.7
790.90399	1.2
825.46368	100.0
826.46753	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	17.6
61.98835	14.2
70.72749	2.1
70.73122	2.4
71.01384	21.4
72.99332	1.6
73.02933	4.4
78.95922	2.0
83.01388	4.1
83.05013	2.1
85.02959	9.6
85.03413	1.5
89.02437	8.3
95.01395	2.2
95.04986	2.4
96.83341	1.3
96.96003	5.3
97.02924	1.4
97.06589	5.0
99.00872	3.6
101.02446	11.8
106.90852	1.3
111.00857	1.4
113.02432	6.9
116.92878	1.4
119.03540	1.7
121.02281	1.1
131.08287	1.3
149.09724	1.5
151.11278	18.2
155.10776	1.5
169.12344	81.1
170.12695	2.9
171.10228	3.0
173.00867	2.0
184.68228	1.1
185.11812	3.7
209.11867	1.3
210.46634	1.3
213.11319	16.5
253.09276	1.4
309.20792	1.8
437.73029	1.2
548.69733	1.3
556.40186	1.4
568.34204	1.4
611.33936	3.0
629.35455	7.8
647.41864	2.0
671.90393	1.2
825.46411	100.0
826.46820	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37945	1.3
59.01381	18.3
61.98829	30.2
66.98254	1.8
69.03461	2.4
69.18996	15.4
69.94290	1.4
71.01378	21.4
71.05009	2.1
73.02940	3.4
79.95742	1.7
83.01381	3.2
85.02949	10.3
87.00898	2.3
89.02462	6.9
92.92847	1.6
93.03455	1.7
94.92519	6.2
94.98074	12.0
95.05037	8.7
96.96025	11.1
97.02997	1.5
97.06593	11.1
99.00912	2.5
100.87635	1.3
101.02450	8.9
113.02439	6.8
119.03519	2.3
123.08173	16.6
125.09726	3.0
133.06578	5.5
143.03517	1.4
151.07625	17.0
169.08698	45.2
170.09042	3.3
171.10298	1.9
173.00925	2.5
195.06628	2.8
204.69319	1.5
243.92557	1.6
292.29779	1.6
419.79422	1.6
526.24872	1.5
629.35327	2.8
647.38672	2.4
720.72778	1.7
734.44769	1.6
825.42804	100.0
826.43103	30.5
831.33270	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	824.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.2
61.98829	100.0
67.57841	0.2
70.93781	0.7
78.95920	0.9
80.96472	0.3
107.46317	0.3
115.76859	0.3
116.92822	0.3
121.15564	0.3
134.41489	0.3
145.41319	0.3
154.88167	0.3
159.98149	0.3
196.89449	0.4
202.13950	0.3
203.63953	0.3
238.75319	0.3
339.13315	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01109	1.6
59.01383	20.9
61.98830	21.5
65.10400	1.1
69.03450	2.0
71.01379	23.0
71.05014	3.5
71.53323	1.1
71.53803	1.8
72.99321	1.6
73.02946	4.7
83.01380	4.7
83.05044	2.4
85.02966	8.1
88.81087	1.0
89.02449	8.6
93.03440	1.8
94.92501	4.7
94.98072	6.3
95.01430	1.4
95.05033	7.6
96.96026	8.8
97.06580	10.9
99.00909	2.5
99.04537	1.7
101.02444	10.4
111.00851	1.8
113.02435	7.5
114.05505	1.3
119.03468	2.6
123.08179	14.4
124.08488	1.3
125.09708	3.7
133.06584	4.5
151.07651	16.2
169.08708	51.4
170.09059	2.0
171.10323	1.5
178.64421	1.1
195.06522	1.3
213.07599	2.3
234.98021	1.5
253.09204	1.7
284.58517	1.2
399.12827	1.6
421.79816	1.5
447.84637	1.2
573.51984	1.5
611.34528	1.7
629.35229	1.6
647.37848	4.3
719.84387	1.6
825.42810	100.0
826.42914	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	824.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83264	0.2
61.98830	100.0
62.98521	0.2
75.13985	0.2
78.95904	1.0
80.96526	0.2
98.19744	0.3
115.92089	0.2
116.92879	0.2
121.20955	0.1
152.99632	0.2
179.89352	0.2
191.16441	0.1
196.89536	0.4
209.12051	0.2
229.58054	0.2
545.38458	0.2
730.15741	0.2
824.33978	0.4
841.42346	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98522	0.2
63.29016	0.1
65.43705	0.1
70.64957	0.3
78.95937	0.3
97.81822	0.1
223.69193	0.2
294.56461	0.1
402.37872	0.1
551.00635	0.1
610.35352	0.1
694.20416	0.1
769.59888	0.1
807.80756	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	824.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01346	0.1
61.98829	100.0
62.98528	0.2
68.26579	0.1
71.01390	0.1
71.22603	0.1
82.18278	0.1
91.24918	0.1
96.96024	0.2
164.35410	0.1
192.99158	0.1
202.71230	0.1
203.23973	0.1
226.21980	0.1
259.91589	0.1
273.05475	0.1
284.58374	0.1
487.94659	0.2
502.16431	0.1
761.40692	0.4
762.40973	0.1
763.05231	0.1
778.43359	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	823.5557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.7
59.48762	0.5
61.98828	5.1
62.06237	0.6
64.33456	0.6
68.15340	0.5
69.20383	4.7
71.01382	4.0
73.02956	0.9
78.95910	0.7
81.03455	21.0
82.03822	0.6
83.05025	46.5
84.05338	1.2
85.02945	1.4
87.00865	0.8
89.02457	3.0
93.03442	1.0
96.96018	7.1
98.20727	0.7
100.07679	6.5
101.02421	1.8
113.02428	1.0
119.03478	1.5
126.05579	1.5
127.03982	0.8
132.88362	0.5
161.04573	0.9
171.10231	0.8
191.05569	2.0
199.16524	0.9
199.18164	9.7
207.14952	0.7
224.17719	1.4
225.11385	0.6
225.16071	8.7
243.17105	19.8
244.17586	1.0
252.09059	0.6
267.11346	0.8
269.15106	0.9
309.21555	1.0
319.92401	0.5
341.29312	0.6
353.20847	5.4
354.20908	0.8
367.27255	0.6
451.32581	2.6
469.33905	12.7
470.34033	1.9
558.21680	0.6
579.37433	2.1
631.12085	0.5
663.37256	0.8
695.50507	3.5
696.50702	1.2
805.54053	1.2
823.55438	100.0
824.55829	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.337
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00574	2.0
59.01381	100.0
61.98830	55.0
68.99841	1.7
70.37580	1.8
71.01006	3.5
71.01382	54.3
72.99310	3.1
73.02956	10.5
75.00860	4.0
78.95928	1.8
83.01430	9.7
84.02190	3.4
85.02955	26.2
87.00883	4.0
89.02443	9.8
95.01385	5.8
96.96014	3.4
97.02944	4.7
99.00866	5.8
101.02437	18.5
111.00838	2.1
112.01634	6.1
113.02453	31.8
119.03474	3.2
124.01646	6.2
125.02421	8.1
141.00685	3.2
141.01701	35.7
143.03445	5.0
143.39104	1.9
153.01588	2.7
161.04483	5.6
179.05551	3.1
182.68741	1.9
183.02689	6.2
197.04526	1.8
351.10773	1.9
361.64264	2.0
409.33835	2.1
449.29196	4.2
467.29892	2.8
489.27765	3.5
553.62622	2.4
558.65228	2.1
593.33289	38.4
594.33386	7.9
611.34302	89.6
612.34558	21.1
615.30939	2.8
633.32104	13.2
634.32520	3.4
651.33398	11.5
653.35370	26.9
654.35419	5.1
693.34735	5.6
791.81140	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	821.506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	16.3
61.98825	15.7
62.38887	1.6
71.01385	6.0
78.95907	2.9
79.89718	1.6
89.02446	3.7
91.90193	1.5
92.30935	1.6
101.02441	4.6
113.02394	1.5
121.10245	7.4
152.99626	1.9
171.10245	25.0
183.13878	4.3
211.13596	1.8
223.17029	2.7
231.21141	2.0
235.08249	2.8
235.16968	7.9
249.18575	100.0
250.16650	1.6
250.18869	8.7
253.09332	17.6
275.20175	48.0
275.23206	2.6
276.20493	6.8
277.21475	1.7
293.21213	65.0
294.21606	7.5
587.18256	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	821.4689
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.9
58.00583	1.0
59.01382	18.5
61.98828	11.3
67.01923	0.8
69.03451	7.7
69.95304	4.0
71.01379	21.7
71.05032	2.0
72.99332	1.6
73.02951	3.3
78.95914	1.2
80.32536	0.7
83.01393	2.5
83.05044	0.8
85.02947	9.3
87.00858	1.3
89.02447	11.0
93.03473	1.5
95.01411	2.4
95.05074	0.8
97.02946	1.6
99.00883	2.8
101.02448	12.6
103.17378	0.7
109.06641	0.8
111.00884	1.7
111.08172	2.2
113.02462	13.7
113.84596	0.8
119.03518	3.2
121.10194	1.0
125.02483	1.7
129.01927	1.1
135.08195	1.0
142.02698	0.7
143.03506	3.6
147.11812	1.1
153.09192	2.8
161.04538	3.5
163.11330	1.6
165.09229	1.0
165.12837	6.6
171.10216	0.8
173.09697	1.1
179.05589	0.9
181.12358	7.7
187.13139	0.8
191.05763	1.2
191.10779	12.4
193.81369	0.7
209.11816	100.0
210.12170	5.1
290.08807	0.9
449.29340	1.8
467.30106	4.5
468.30176	1.0
496.14789	0.9
611.34338	49.6
612.34668	8.6
619.35315	1.0
629.35400	39.5
630.35815	6.5
741.46124	0.9
821.46063	2.9
822.47742	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	820.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21941	0.3
59.01381	0.8
61.98831	100.0
69.63425	0.3
70.44796	0.8
71.01391	0.4
78.95905	1.5
79.95754	0.4
80.96515	3.2
84.60278	0.3
85.02967	0.5
85.26096	0.3
89.02464	0.4
91.78763	0.3
94.98122	0.8
96.96053	0.3
98.20661	0.4
100.34229	0.3
152.99588	0.5
171.10239	0.4
197.11928	0.5
199.68802	0.3
209.11876	0.9
223.13580	0.3
225.00789	0.6
241.14450	0.9
253.09344	0.8
277.21652	1.7
279.23239	4.2
280.23572	0.8
289.18106	0.7
291.19751	0.5
293.21152	1.6
309.20834	1.0
439.64926	0.3
514.80859	0.4
728.45557	0.7
746.45898	0.9
820.42346	3.2
821.42725	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.2
61.98829	100.0
71.01375	0.4
78.95906	0.6
79.95737	0.3
80.91682	0.2
80.96513	1.7
87.00870	0.2
88.98818	0.2
89.02406	0.2
94.98085	0.5
96.96009	0.3
98.20760	0.3
101.02473	0.2
112.60098	0.2
122.97629	0.2
139.40237	0.2
142.92973	0.2
152.99663	0.2
164.98660	0.4
171.10197	0.2
197.11874	0.7
211.13420	0.2
225.00748	0.3
229.06609	0.2
235.50432	0.2
253.09212	0.5
264.88348	0.2
275.20374	0.2
277.21649	0.3
279.23294	1.6
291.19748	0.4
293.21173	1.7
293.33057	0.2
309.20749	0.9
661.71790	0.2
662.91876	0.2
793.86383	0.2
811.17572	0.2
820.42084	1.5
821.41467	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.31716	0.1
62.98542	0.2
71.01374	0.2
75.51741	0.1
78.91885	0.1
78.95945	0.1
79.95756	0.1
80.96539	0.4
84.09525	0.1
94.98085	0.1
105.59859	0.1
126.90481	0.3
137.09799	0.1
164.98518	0.1
171.10335	0.1
183.10764	0.1
222.25951	0.1
225.00751	0.2
235.67711	0.1
265.10522	0.2
277.21695	0.1
354.55997	0.1
360.31311	0.1
414.97006	0.1
443.45081	0.1
491.97876	0.1
492.26083	0.1
495.41269	0.2
663.25623	0.1
731.37427	0.3
821.40497	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	0.2
61.98829	100.0
62.98532	0.2
71.01379	0.4
78.91891	0.3
78.95893	0.4
79.95752	0.3
80.96517	1.6
85.02956	0.2
94.98104	0.4
96.94552	0.1
101.02431	0.2
105.46295	0.2
112.97253	0.1
114.38909	0.2
122.97559	0.2
164.98671	0.2
209.11841	0.6
225.00809	0.4
229.48315	0.2
243.67377	0.2
251.88599	0.2
290.18311	0.2
378.47177	0.2
399.67450	0.2
408.51117	0.2
529.28790	0.2
611.33832	0.2
629.35760	0.3
731.36310	1.6
821.40564	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78563	0.1
61.98829	100.0
62.98539	0.2
62.99285	0.1
63.99245	0.1
71.01372	0.3
78.95889	0.2
79.95773	0.2
80.96535	0.5
81.00510	0.1
94.75402	0.1
126.90479	0.2
171.10486	0.1
253.09285	0.1
269.16577	0.1
277.21716	0.3
555.19080	0.2
731.37103	0.4
765.52429	0.1
821.40454	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.9
59.01380	100.0
69.03450	2.2
71.01382	39.5
72.99308	2.4
73.02943	10.1
75.00885	1.0
81.03470	0.9
82.75365	0.8
83.01379	6.4
85.02451	1.4
85.02950	20.3
87.00860	7.2
87.04528	3.1
89.02443	14.8
95.01366	5.6
96.18303	0.9
96.62029	0.8
97.02949	3.4
99.00868	3.8
101.02438	21.7
101.06070	2.2
106.21897	0.8
109.27409	0.8
111.00903	1.2
113.02448	27.1
119.03503	6.1
124.01655	3.8
125.02443	11.3
143.02510	1.0
143.03503	6.0
159.02916	1.2
161.04552	6.6
179.05519	1.8
188.77618	0.8
215.46169	0.8
331.84418	0.8
340.74872	0.9
467.30066	5.9
485.30994	5.4
486.31305	1.1
563.31525	1.1
575.31439	1.1
593.33069	2.8
611.34265	21.7
612.34680	5.6
629.35382	62.2
630.35699	11.5
647.36450	21.1
648.37146	5.6
671.36505	12.2
672.36505	4.0
689.37512	20.3
690.37476	4.6
731.38208	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	819.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.1
58.00595	2.3
59.01380	100.0
60.01710	5.6
61.01800	3.0
66.36740	0.6
69.03451	3.2
71.01382	51.0
72.01707	4.6
72.99297	3.7
73.01799	1.7
73.02947	19.8
74.03292	2.3
75.00885	1.3
81.03455	1.9
83.01378	9.8
84.01718	1.1
85.02954	26.5
85.03471	1.5
86.00119	1.9
86.03304	2.5
87.00879	11.4
87.04504	3.2
87.32230	0.8
89.02448	21.2
89.03009	1.1
90.02802	2.0
95.01371	3.9
97.02956	4.8
98.03284	0.7
98.19849	1.2
98.20524	3.7
99.00895	5.6
99.04540	0.9
101.02444	33.1
102.02789	4.4
103.02939	1.0
103.04015	4.1
104.04379	0.8
107.50632	0.6
109.03003	0.7
111.00887	1.5
113.02448	20.3
114.02772	1.6
115.04009	2.2
119.03509	7.1
120.03873	1.2
121.42272	0.7
124.01653	5.0
124.71864	0.6
125.02464	13.1
126.02791	2.1
127.02928	1.1
127.04008	1.1
129.01901	1.4
131.03539	3.4
141.01979	1.3
143.03497	8.1
144.03859	1.9
145.03972	0.9
145.05096	1.8
159.03023	1.3
161.04575	4.8
162.40309	0.8
163.06114	4.2
179.05649	0.9
187.02438	1.6
205.07195	2.5
206.07507	1.1
247.08311	1.6
248.60594	0.7
311.26373	0.7
345.23764	0.7
357.45782	0.7
448.61072	0.7
467.29959	3.5
468.30811	1.8
469.31009	2.0
475.06503	0.7
485.31360	1.9
593.34070	1.0
597.35858	1.9
611.34485	11.7
612.34668	5.1
613.34967	5.4
614.36346	1.0
615.36957	2.8
629.35413	28.4
630.35547	8.7
631.36499	3.0
647.36359	9.1
647.46185	0.7
648.36987	2.2
671.36285	3.3
672.37378	1.3
689.37762	7.5
690.38043	1.7
757.40070	2.4
758.40424	6.7
759.40692	46.7
760.40558	5.7
775.41425	1.7
776.41644	7.9
777.27435	1.9
777.41809	36.2
778.42578	4.7
819.43530	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	818.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98538	0.2
73.65836	0.1
75.33912	0.1
78.95927	0.2
80.96507	0.7
94.98070	0.2
98.19908	0.3
149.50208	0.1
161.55438	0.1
166.12436	0.1
192.25812	0.1
225.00731	0.2
277.21725	0.2
288.89438	0.1
819.42664	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.5
61.98529	0.4
61.98830	3.1
63.30601	0.4
67.01898	0.9
69.33636	0.5
69.64170	1.0
69.64575	1.8
71.01376	1.4
75.00896	0.5
85.02950	1.3
89.02441	1.3
93.03461	2.1
96.96001	1.2
98.20596	0.5
99.00882	0.5
101.02437	0.9
109.67596	0.4
113.02405	0.6
120.04554	2.7
121.03001	0.5
121.05341	2.2
122.06126	5.2
132.04536	0.6
134.06097	3.5
135.04552	0.5
135.06891	1.4
136.07680	12.0
158.02444	1.0
160.04025	0.5
161.07190	1.0
162.05598	0.6
171.11790	2.2
173.04539	1.5
190.05092	4.5
191.05595	6.7
197.34338	0.5
198.09247	1.8
199.09953	1.4
214.07413	0.8
214.12372	9.4
215.12595	0.8
226.07397	0.6
227.08250	2.0
228.08928	1.2
229.09859	4.4
230.11859	4.0
241.09778	6.4
242.10594	16.0
243.10909	1.3
257.10074	1.1
257.12949	81.9
258.13278	6.8
301.11929	100.0
302.12274	9.7
323.10669	0.6
337.11887	1.5
338.12769	0.7
517.18256	19.0
518.18469	3.4
532.11407	0.5
601.20685	0.5
775.30853	0.5
787.28949	1.0
819.30682	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	818.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05971	0.1
59.01370	0.4
59.95251	0.2
61.98829	100.0
62.98546	0.2
70.96262	0.2
70.96603	0.2
71.01402	0.2
71.08273	0.1
71.75634	0.1
80.96519	0.5
82.96128	0.1
85.02982	0.2
88.98808	0.3
109.94740	0.1
111.46745	0.1
125.69560	0.1
161.62717	0.1
164.98833	0.2
225.00893	0.1
311.22250	0.3
573.63171	0.1
575.92255	0.1
651.96436	0.1
681.23486	0.1
728.26886	0.2
767.33954	0.2
818.37610	0.3
818.51324	0.2
819.38367	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.4
58.00583	1.5
59.01378	74.8
60.81425	1.3
61.98814	2.8
71.01005	2.6
71.01382	37.8
71.05013	2.7
71.39093	1.4
72.99299	3.1
73.02950	6.4
75.21247	1.1
82.61637	1.4
83.01378	4.1
85.02947	13.3
87.00869	3.1
87.25011	1.2
87.94252	1.3
89.02444	26.3
95.01389	3.9
95.82153	1.3
99.00878	3.1
99.08160	6.6
101.02435	21.2
111.00860	1.9
113.02445	24.0
119.03482	8.8
125.02467	2.8
125.09732	3.8
127.07664	5.3
127.11326	7.9
129.01959	2.7
143.03485	3.5
149.04517	1.3
153.09213	1.7
161.04556	5.0
171.06586	5.3
171.10257	25.6
179.05559	2.8
292.38074	1.3
368.75830	1.6
424.79471	1.4
471.53036	1.3
483.29663	6.5
501.74512	1.5
609.32715	6.4
610.33533	2.2
627.33813	18.3
628.34137	3.8
645.34851	100.0
646.35242	24.3
669.35028	4.2
687.36011	6.1
688.36096	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86977	1.2
57.03451	5.4
58.00602	2.9
59.01378	100.0
62.83048	1.3
69.03464	3.0
71.01379	75.1
72.99292	6.5
73.02946	18.0
74.03287	1.1
75.00873	2.4
81.03479	1.4
83.01385	11.3
85.02950	42.9
87.00871	11.3
89.02443	33.9
95.01385	10.0
97.02944	5.6
99.00889	10.4
99.04560	3.2
101.02441	43.0
103.04018	5.3
111.00896	4.4
111.21431	1.3
113.02453	32.5
115.04016	1.7
119.03493	15.0
123.20296	1.3
123.73557	1.3
124.01676	8.5
125.02452	14.7
127.04035	4.1
129.01923	2.1
141.01924	1.8
142.02551	1.1
143.03477	7.4
145.05043	2.0
146.54498	1.3
155.69453	1.2
161.04541	7.0
163.06113	3.1
187.02513	5.2
187.06024	6.9
187.09836	1.7
467.30130	5.7
537.30750	1.4
575.32153	2.4
593.33722	2.2
595.34491	2.4
611.34283	27.1
612.34650	4.5
613.35931	3.9
629.35345	40.9
630.35699	9.3
642.22668	1.3
721.38257	2.1
757.40137	63.1
758.40436	17.1
773.35840	5.8
775.41199	73.3
776.41748	18.0
817.41943	10.6
818.43109	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	817.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	4.5
58.00594	3.7
59.01380	100.0
60.01714	0.9
65.03979	0.3
67.01882	0.4
68.99805	0.6
69.03460	4.8
69.39996	2.1
71.01382	59.8
71.05040	0.4
72.01741	0.9
72.99307	5.4
73.02946	29.0
74.03284	0.3
75.00880	1.4
79.01901	0.3
81.03456	3.0
83.01386	12.4
83.05022	0.7
84.01720	0.3
84.02168	0.5
84.78613	0.3
85.02953	32.0
86.00102	3.3
86.03278	0.6
87.00335	0.6
87.00877	14.0
87.04517	3.2
89.02444	23.9
95.01389	4.6
97.02947	7.2
99.00878	5.2
99.04523	2.4
101.02444	40.9
102.02811	0.5
103.04013	7.1
109.02937	1.3
111.00881	2.8
111.04549	0.6
112.01653	0.6
113.02449	19.8
115.04010	5.7
119.03502	7.8
122.66805	0.3
123.00883	0.7
124.01665	6.1
125.02456	18.8
126.02763	0.5
127.04016	2.9
128.04289	0.3
129.01949	3.0
131.03502	5.8
136.94748	0.3
139.03973	0.3
141.01952	1.3
142.02708	0.7
143.03503	12.1
143.04628	0.6
144.03841	0.3
145.01485	0.6
145.05049	3.9
159.02975	1.4
161.04524	3.1
163.06123	9.4
164.06459	0.3
177.04060	0.6
179.05661	0.7
187.02499	3.8
187.06052	0.6
187.59332	0.3
205.07166	7.3
219.08742	0.4
229.07188	0.9
247.08249	2.6
265.09299	0.4
273.80957	0.3
289.09216	1.4
397.27063	0.4
449.29086	1.2
467.30084	4.1
468.30368	0.5
503.15659	0.3
509.31125	0.6
575.32733	1.5
593.33380	1.5
595.34857	2.5
596.34790	0.4
611.34332	10.6
612.34332	1.8
613.35864	6.0
614.36188	1.3
629.35443	8.5
630.35742	1.9
637.35675	0.4
683.37067	0.4
693.38788	0.4
703.38013	0.3
721.38165	0.9
727.38928	0.6
757.40137	70.3
758.40472	19.9
775.41180	61.0
776.41510	16.6
776.56238	0.6
817.42151	3.6
818.41791	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.422
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	4.9
58.00600	2.8
59.01378	100.0
60.01717	1.2
66.19227	0.4
67.01904	0.7
68.99802	0.9
69.03461	4.3
71.01381	58.5
71.05034	0.7
72.01733	1.0
72.99313	6.1
73.02944	25.4
75.00868	5.7
81.03455	3.9
83.01385	12.6
83.05055	0.6
84.02179	0.5
85.02947	33.8
86.00083	2.9
86.03299	0.8
87.00874	14.4
87.04520	2.8
89.02441	23.8
90.96091	0.4
95.01389	5.4
97.02940	8.3
99.00878	7.6
99.04517	3.4
101.02441	37.3
102.02799	1.0
103.00375	0.6
103.04004	6.8
109.02953	0.7
111.00214	0.4
111.00874	2.3
112.01691	0.7
113.02451	21.2
115.04007	5.5
117.01887	0.6
119.03492	8.5
123.00848	0.7
124.01677	4.6
125.02447	26.0
126.02770	0.9
127.04038	2.5
129.01939	2.2
131.03493	4.4
141.01912	0.8
143.03502	9.7
145.01407	2.2
145.05048	2.3
159.03009	1.1
161.04550	3.3
163.06123	8.8
175.02467	0.7
179.05653	1.1
187.02460	8.7
205.07141	5.9
229.07150	0.9
236.11710	0.5
240.80299	0.5
247.08247	1.9
248.69164	0.4
249.06070	0.8
289.09381	1.1
303.23331	1.7
309.75269	0.5
311.89954	0.4
319.22644	0.6
449.28992	0.6
467.30072	3.4
468.31299	0.5
481.28052	0.7
553.30182	1.1
572.38531	0.5
575.32281	1.5
593.33319	0.9
595.34631	2.0
611.34326	9.7
612.34698	1.8
613.35614	5.7
614.35809	1.2
629.35431	8.3
630.35748	1.3
691.52014	0.5
721.36841	0.8
757.40106	65.2
758.40430	15.1
773.36060	21.1
774.36279	4.6
775.41144	54.0
776.41608	12.1
817.41864	3.5
818.41846	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.8
57.91231	0.6
58.00590	2.5
59.01378	59.1
60.01722	1.1
61.98822	2.8
67.01882	1.4
69.03452	3.9
70.92635	1.1
71.01382	39.8
71.05006	1.6
72.01716	1.0
72.99305	3.5
73.02947	15.6
73.24303	0.6
75.00879	1.7
81.03448	8.0
82.17531	0.6
83.01389	8.4
85.02946	19.7
86.00087	1.4
86.03281	0.7
87.00879	6.5
87.04543	1.8
89.02444	14.2
95.01379	4.0
97.02956	4.7
98.99107	2.7
99.00879	4.6
99.04520	14.5
101.02444	33.5
102.02831	0.8
103.04008	3.9
111.00885	2.1
113.02445	11.0
115.04015	7.2
115.45964	0.7
116.92834	0.9
119.03511	4.9
124.01686	3.6
125.02444	100.0
126.02808	3.3
127.04019	1.2
129.01955	1.5
131.03496	2.5
141.01892	0.7
143.03497	11.2
144.03821	0.7
145.01428	13.2
145.05051	1.8
155.42615	0.6
159.03008	1.2
161.04562	1.7
163.06142	4.8
169.01474	0.9
187.02467	60.3
188.02814	2.4
205.07152	3.6
244.48277	0.7
247.08238	1.3
289.09348	0.9
302.92755	0.7
467.30164	2.1
595.34979	1.5
609.32922	1.3
611.34778	3.8
612.34528	0.9
613.35913	2.3
627.33539	2.9
629.35345	8.4
630.35706	1.8
645.35040	1.1
650.75281	0.7
687.35901	0.8
732.35162	2.1
739.35101	3.5
757.40125	37.5
758.40186	8.7
775.41113	27.5
776.41479	6.7
799.37823	1.6
817.38684	9.6
818.39886	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	817.386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	4.9
58.00596	4.3
58.38960	0.4
59.01379	100.0
60.01726	0.9
61.98824	2.2
67.01901	1.8
67.69892	0.5
69.03458	4.8
71.01381	72.0
71.05014	0.9
72.01733	0.7
72.99306	6.8
73.02946	26.1
75.00877	1.7
79.01912	0.7
81.03455	7.6
83.01386	16.4
83.01889	0.8
83.05029	0.9
85.02948	36.1
85.98801	0.5
86.00094	3.6
86.03278	0.6
87.00874	14.9
87.01378	0.9
87.04518	2.2
89.02444	24.3
95.01376	5.7
97.02950	8.7
97.49557	0.5
98.20623	0.9
98.99107	2.2
99.00885	5.9
99.04517	11.1
101.02441	51.4
102.02758	1.2
103.00383	0.6
103.04025	6.1
103.26709	0.5
109.02964	1.7
111.00877	3.1
112.01677	0.6
112.19195	0.6
113.02452	21.9
114.02799	0.8
115.04018	8.7
119.03503	9.1
123.00899	0.6
124.01660	4.9
125.02446	77.2
126.02802	2.0
127.04016	2.2
129.01956	2.6
131.03505	5.4
141.01921	1.1
142.02690	0.6
143.03508	13.7
145.01445	8.7
145.02513	1.0
145.05067	2.9
159.02998	1.7
161.04579	3.5
163.06107	8.2
177.04051	0.6
179.05565	1.0
187.02475	45.2
188.02802	2.0
192.74481	0.6
194.92169	0.6
205.07169	7.8
247.08296	2.7
275.68265	0.5
289.09195	0.8
386.92416	0.6
467.30191	4.6
468.30603	0.6
575.31866	1.7
593.33276	1.0
595.35101	2.0
609.32544	0.6
611.34412	11.4
612.34753	2.2
613.35736	5.5
614.36102	1.3
616.38953	0.7
627.33545	3.5
629.35425	10.9
630.35730	2.4
645.34650	1.1
669.35638	0.6
683.36957	0.6
721.38007	1.0
732.34772	0.9
739.35541	3.4
740.36469	0.6
757.40094	76.1
758.40497	20.6
775.41168	54.1
776.26733	0.7
776.41498	15.9
817.39441	7.6
818.39832	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	817.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01714	1.5
61.98831	16.8
69.03487	0.8
71.01389	3.8
71.34093	0.9
75.00835	0.8
78.95908	0.8
79.95736	1.8
80.96497	3.8
82.96101	0.9
85.02952	0.8
87.00883	1.1
89.02472	2.2
94.98109	1.0
96.99327	1.1
97.02969	1.1
101.02465	2.6
113.02466	1.2
117.81573	0.7
124.06992	0.7
125.02465	1.2
139.00325	1.0
139.63399	0.7
141.01703	51.3
142.02051	1.0
142.05096	2.1
164.98657	0.7
171.94690	0.7
225.00894	0.7
243.04900	1.4
277.21628	5.8
278.21985	0.8
307.22729	0.7
351.42072	0.7
359.22156	3.8
397.13504	10.4
398.14056	1.2
415.14578	1.8
419.11865	2.5
437.12988	2.8
469.06628	2.6
651.24707	1.0
697.34723	1.9
817.50397	4.5
818.51678	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	5.4
58.00590	2.8
59.01377	100.0
60.01710	0.9
61.98828	0.9
67.01891	1.4
68.99817	1.1
69.03461	4.7
70.83688	1.1
71.01380	66.2
71.05024	1.5
72.01718	0.9
72.99307	8.7
73.02944	27.7
73.79556	0.4
75.00868	7.5
81.03453	5.3
82.17419	0.4
83.01385	12.7
83.05022	1.0
84.02180	0.8
85.02948	38.4
86.00101	2.7
87.00872	14.1
87.04495	2.4
89.02443	23.8
95.01389	7.2
97.02943	7.1
99.00874	10.3
99.04519	7.9
100.01253	0.4
101.02440	45.9
102.02798	1.0
103.00343	1.0
103.04010	6.4
109.02943	1.5
111.00887	2.7
111.05479	0.4
113.02449	25.0
114.02742	0.4
115.00423	0.6
115.04006	6.0
117.01926	0.8
119.03500	8.3
123.00870	0.7
124.01664	5.8
125.02443	60.2
126.02792	1.7
127.03983	2.4
129.01953	2.8
131.03490	4.8
141.01929	0.9
143.03497	12.2
145.01437	6.5
145.05043	2.9
157.01433	0.4
159.03018	1.1
161.04562	3.4
163.06120	6.5
164.06464	0.5
175.02411	0.9
179.05611	1.0
187.02472	28.1
187.06010	1.0
188.02803	1.3
205.07164	5.8
229.07101	0.9
230.66989	0.4
244.32985	0.4
247.08185	2.1
249.05978	2.3
267.07217	1.1
289.09192	0.9
303.23431	2.8
319.22656	0.7
357.02832	0.5
449.29153	0.6
467.30103	2.9
481.27817	1.4
523.28809	1.2
553.30414	1.4
575.31824	1.4
581.88971	0.5
589.36304	0.5
593.33411	1.1
595.34833	2.4
611.34375	7.8
612.34888	1.0
613.35822	4.3
614.36096	0.7
629.35406	7.4
630.35895	0.8
693.38635	0.6
706.16296	0.5
721.37811	0.7
727.38574	0.6
737.49805	0.5
757.40106	63.0
758.40460	12.2
773.35980	36.6
774.36316	9.5
775.41168	54.7
776.41425	9.6
799.37970	0.6
817.40643	4.9
818.40674	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	817.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.1
58.00581	1.6
59.01377	100.0
61.87496	1.2
69.03468	2.0
71.01383	42.4
71.01775	2.6
71.53937	1.7
72.99300	3.4
73.02942	7.9
83.01363	5.2
83.05048	1.1
85.02950	18.3
87.00880	2.3
89.02448	21.9
95.01384	4.7
97.02983	2.0
99.00862	2.7
99.08116	1.3
101.02445	22.0
101.21739	1.1
111.00864	1.7
113.02452	28.7
119.03500	7.8
124.01666	2.9
125.02417	3.8
125.09692	1.8
127.07597	2.4
127.11308	2.3
129.01976	1.6
143.03462	3.9
149.71353	1.1
159.33537	1.2
161.04549	6.6
171.06604	2.8
171.10242	5.1
179.05605	3.6
465.28412	3.3
483.29776	5.5
609.32764	13.1
610.32770	3.4
627.33795	43.0
628.34326	8.8
645.34888	54.2
646.35168	9.5
669.35114	7.0
687.35571	12.7
688.36487	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	817.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.6
58.00587	1.8
59.01379	100.0
60.01744	0.8
61.98822	0.9
69.03451	0.9
71.01384	36.2
72.99309	1.8
73.02946	12.6
75.00883	1.0
83.01401	5.0
85.02946	18.5
87.00867	3.8
89.02449	12.1
95.01375	5.0
97.02970	2.3
99.00896	2.3
101.02443	17.9
111.00875	1.6
112.01654	1.2
113.02451	36.0
114.05653	0.7
119.03506	6.3
124.01626	3.5
125.02438	4.9
133.86679	0.7
134.34038	0.9
143.03490	5.9
149.04539	1.4
154.99796	1.1
161.04564	7.5
179.05583	1.0
180.84956	0.7
215.58420	0.7
355.02567	0.8
447.27866	1.1
448.28183	0.8
465.28540	5.2
466.29013	1.1
483.30014	1.9
573.30896	1.3
591.32208	2.5
609.32825	16.3
610.33276	3.6
627.33850	46.2
628.34259	9.1
645.34839	14.4
646.35681	2.6
669.35168	7.6
670.35583	2.4
687.35846	14.2
688.36792	3.3
729.37732	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	815.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01353	0.8
61.98825	1.3
63.96253	1.9
69.03458	0.9
71.01382	11.2
73.02953	3.0
78.95905	2.0
78.98586	8.8
79.95737	19.0
80.96516	100.0
85.02953	3.9
87.00867	3.2
94.98089	20.4
96.96006	2.2
97.02954	2.2
98.20663	1.7
101.02459	3.1
106.98092	4.0
122.97582	9.4
125.02428	3.3
134.97569	5.6
136.99133	1.4
146.97520	0.9
148.99147	6.3
150.97058	1.0
152.98628	8.5
158.35327	0.7
164.98640	13.3
177.84636	0.9
196.87633	0.7
196.89503	2.4
206.99730	2.2
225.00754	15.6
239.33482	0.7
250.89487	1.0
255.23264	2.5
277.21359	0.8
537.27557	1.6
559.25977	1.0
815.49805	86.2
816.50195	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.6
58.00588	1.9
58.05717	0.7
59.01379	100.0
60.01698	1.1
62.51815	0.7
69.03432	1.1
71.01381	42.5
71.01956	1.8
72.99297	1.3
73.02943	9.6
79.01863	1.0
83.01398	4.3
85.02949	18.0
86.00130	1.1
87.00874	2.8
89.02448	17.3
95.01386	5.4
97.02959	2.0
99.00880	2.6
101.02443	18.9
111.00868	1.2
112.01637	1.1
113.02448	33.1
114.02783	1.6
119.03494	5.4
124.01614	3.2
125.02470	4.8
127.07648	0.9
129.01930	1.0
142.02684	1.3
143.03491	5.0
155.10915	0.9
161.04536	4.8
179.05487	1.8
189.33263	0.8
262.66327	0.8
268.39655	0.7
289.12781	0.8
436.67401	0.8
465.28455	6.9
466.28763	1.6
483.29828	4.2
539.09583	0.9
573.30359	1.5
591.31763	2.4
609.32733	20.4
610.33026	3.7
627.33832	58.6
628.34265	11.8
645.34930	19.2
646.35150	3.8
669.34930	11.0
670.34949	1.3
687.35876	21.0
688.36157	3.0
729.37140	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	815.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.6
61.98843	0.5
62.96520	0.5
63.96259	2.8
66.08647	0.5
69.03433	0.9
69.39960	2.4
69.40395	1.7
71.01382	11.3
73.02956	2.4
78.98590	8.9
79.95735	17.4
80.96516	100.0
81.03468	1.0
83.01388	0.7
85.02956	4.4
87.00887	3.8
94.98089	22.8
95.01408	0.5
96.96001	1.8
97.02974	2.4
99.00870	1.0
101.02435	2.3
106.98066	3.4
111.66618	0.5
112.58640	0.5
122.97598	3.8
125.02430	2.9
134.97581	7.0
136.99165	1.7
141.01720	0.8
146.25035	0.5
148.99139	7.5
152.98630	7.9
164.98637	13.9
167.00215	0.9
188.98650	0.8
206.99686	3.0
225.00742	18.0
226.01094	0.7
255.23283	2.8
268.69626	0.5
277.21692	0.9
537.27332	2.0
559.25916	1.5
815.49805	82.0
816.50098	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.478
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	6.5
61.98827	10.8
62.46457	1.6
71.01373	7.4
71.54203	1.6
71.54620	2.2
73.02941	2.6
78.95904	21.6
78.98584	1.8
79.95738	6.7
80.96523	39.8
81.03455	1.5
83.05023	4.6
85.02976	2.3
87.00871	1.7
89.02422	2.6
94.98069	8.9
96.96983	3.8
97.02931	1.9
101.02444	3.9
104.48298	1.4
106.98026	1.8
107.25004	1.6
113.02483	1.5
122.97556	2.2
134.97603	3.1
145.05017	1.9
148.99107	3.5
152.98502	2.4
152.99550	5.2
160.80719	1.6
161.04625	1.6
164.98691	3.8
165.12791	2.1
171.10246	12.6
190.66946	1.6
201.11226	1.6
206.99651	1.9
207.10385	2.0
209.11824	100.0
210.12195	7.4
223.00165	1.9
223.13429	2.4
225.00728	6.5
225.11298	2.6
227.12863	11.7
232.39069	1.7
235.08211	2.4
241.01157	11.4
249.18590	1.8
253.09312	7.6
255.23337	16.4
277.21713	75.8
278.22000	7.6
297.04224	1.6
309.89383	1.6
419.87650	1.6
445.21057	3.1
725.38611	11.1
726.38794	2.1
769.41486	1.7
779.40186	1.7
797.40479	5.0
798.41010	2.4
815.50098	32.0
816.50220	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	815.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73035	0.3
57.03430	0.4
57.98383	0.3
58.00584	1.1
59.01374	100.0
60.01708	0.9
60.96030	0.3
61.98830	0.6
65.88244	0.3
70.16324	0.3
70.27876	0.3
71.01376	16.6
71.29895	0.6
72.99303	1.4
73.02927	0.4
78.56304	0.3
83.01398	0.4
85.02943	2.8
87.00882	1.2
89.02438	28.7
90.02772	0.5
95.01394	0.9
96.95984	0.3
101.02438	9.6
113.02441	8.3
118.85892	0.3
119.03493	12.7
120.03865	0.5
125.02451	0.3
126.77024	0.3
131.03485	1.9
134.40913	0.3
143.03505	3.1
149.04517	1.8
161.04564	3.3
179.05589	12.0
191.05579	0.4
422.62726	0.3
575.36163	0.4
755.28668	0.3
815.43713	2.0
816.45337	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78685	1.5
57.03420	2.0
59.01382	72.2
61.98851	3.5
68.99821	27.1
71.01382	52.4
72.99310	2.5
73.02946	17.2
78.98587	2.5
79.95731	5.1
80.96513	33.2
83.01389	7.4
85.02937	19.8
87.00879	4.8
89.02440	19.2
94.98075	5.3
95.01402	4.9
97.02960	3.1
99.00881	43.9
101.02443	28.9
106.98100	2.8
111.00949	2.7
113.02454	24.2
117.70885	1.7
119.03479	6.1
124.01656	2.7
125.02445	5.2
141.02115	1.8
143.03563	4.2
159.02980	1.8
161.04523	4.9
164.98631	3.6
201.11349	3.1
218.93834	1.8
225.00844	4.6
261.29062	1.9
467.30283	4.8
611.34338	100.0
612.34662	17.0
629.35425	74.8
629.44055	1.7
630.35657	17.1
671.36469	39.1
672.36792	7.5
762.10272	2.0
815.50140	24.4
816.50287	6.5
817.83044	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	815.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	3.6
58.80222	2.1
59.01381	67.8
61.98827	12.0
63.96247	2.8
68.99818	29.3
69.03461	3.6
69.49732	14.4
70.66505	2.1
71.01379	60.4
72.41450	2.1
72.99300	4.8
73.02943	17.3
78.98578	5.5
79.95747	14.0
80.96518	65.2
81.03477	2.5
83.01392	8.5
85.02943	20.6
87.00874	6.3
89.02452	23.3
94.94334	2.3
94.98096	16.0
95.01388	6.2
96.96031	3.9
97.02972	4.2
99.00883	44.5
101.02443	33.6
113.02454	31.0
116.92862	5.5
119.03506	7.6
125.02457	3.6
129.01910	2.5
134.97568	6.1
143.03513	3.0
148.99123	6.9
152.98573	5.5
161.04565	4.6
164.98625	9.1
201.11362	7.6
202.11691	3.7
225.00710	14.7
449.29361	3.3
467.30203	4.3
611.34332	100.0
612.35010	19.0
629.35406	78.5
629.43341	1.8
630.35706	18.5
631.36353	4.0
671.36603	34.6
672.36780	8.5
729.85541	2.5
815.49927	66.3
816.49933	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	815.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	3.2
59.01383	27.6
61.98831	7.7
69.03423	1.1
69.57786	4.7
71.01012	1.7
71.01383	23.7
72.99297	2.1
73.02954	6.8
75.00880	1.9
78.98595	1.9
79.95719	3.5
80.96078	1.7
80.96519	18.8
81.03461	1.1
83.01369	3.6
85.02951	13.3
87.00875	2.3
89.02451	4.1
94.98080	3.4
95.01379	3.1
96.96006	4.2
97.02978	2.7
99.00873	5.1
99.92653	1.2
101.02440	9.9
108.53796	1.1
113.02444	11.6
116.92818	3.0
119.03497	1.8
125.02460	2.1
134.97575	1.3
143.03555	1.3
155.97989	1.1
164.98540	2.1
169.69069	1.3
171.10263	1.7
180.14555	1.2
221.75414	1.0
222.91031	1.2
225.00671	3.9
303.23352	6.2
306.96719	1.1
319.22623	1.5
463.27148	10.1
481.28027	16.2
482.28455	2.4
523.29089	100.0
524.29419	17.9
611.34631	3.6
629.35211	3.4
630.35498	1.6
743.73407	1.8
811.61517	1.2
815.49902	18.9
816.50360	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	815.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.3
59.01380	16.0
61.98836	0.7
62.00478	0.6
64.73557	0.7
69.03501	0.6
70.54145	2.0
71.01380	11.0
72.99300	0.9
73.02931	3.2
79.95727	1.5
80.96525	2.9
83.01395	1.9
85.02936	4.4
86.00049	0.7
89.02393	1.6
95.01414	1.0
96.96005	24.6
97.02914	1.0
98.95592	11.2
98.96429	2.1
99.00897	1.2
99.92581	32.3
100.92607	1.3
100.93363	2.5
101.02452	4.9
113.02470	3.0
114.93433	0.7
115.92073	34.1
116.92857	100.0
117.92870	5.4
117.93628	1.2
119.03512	0.8
136.73769	0.6
141.93645	1.6
142.94418	1.7
156.92288	0.6
161.04591	0.7
170.93863	0.7
174.93457	0.8
184.91792	2.1
186.93361	0.7
198.93492	0.7
242.96007	1.3
254.40765	0.6
259.71918	0.7
259.96249	1.5
273.04306	0.6
303.23282	5.0
462.69589	0.6
475.09299	0.8
481.28033	3.7
482.28079	1.1
482.54529	0.7
505.28189	0.8
523.29114	49.9
524.29395	9.2
531.20227	1.4
533.22003	2.0
565.30334	1.1
575.23206	1.6
587.23877	0.8
675.25751	0.7
693.26068	2.3
694.26660	0.7
729.27881	2.0
735.27075	0.8
771.29163	4.4
772.28918	1.5
815.27960	5.1
815.49426	1.9
816.28760	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	813.5365
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	0.4
59.01377	2.5
61.98824	0.9
65.94788	0.5
69.03421	1.0
70.38839	0.5
71.01381	2.2
71.52055	0.5
79.95737	2.9
88.18140	0.4
89.76530	0.4
90.98730	0.5
95.94331	0.4
96.96011	67.5
97.02964	0.4
99.00858	0.6
101.02431	0.5
113.92635	0.7
114.93426	2.0
118.70451	0.4
125.09746	2.6
127.11274	5.8
139.11296	3.7
143.10782	0.6
153.09250	0.6
155.10712	2.2
157.12320	0.5
165.09239	1.2
171.10266	27.6
172.10556	1.5
185.00943	0.6
185.11845	0.5
197.46251	0.4
199.09793	0.9
201.11330	25.2
202.11716	1.5
208.43176	0.5
213.11418	0.6
275.20151	0.7
293.21173	2.2
311.22189	1.4
324.40869	0.4
329.23309	100.0
330.23648	9.3
629.35254	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.1
59.01377	59.9
61.98825	6.9
71.01379	39.2
72.99293	2.0
73.02940	5.4
80.96492	2.1
83.01384	4.8
85.02954	15.4
87.00872	1.8
89.02447	18.0
90.77475	1.2
95.01390	4.2
96.96011	2.6
98.20747	2.4
99.00879	4.1
101.02448	21.9
113.02443	17.2
116.92876	1.3
119.03497	7.5
121.02959	5.6
129.01932	2.1
139.07642	10.4
143.03384	1.2
143.07797	1.4
145.03040	1.8
157.08699	41.5
158.08994	2.6
161.04543	3.7
165.01947	3.3
201.11301	4.7
204.89908	1.2
230.50677	1.4
248.99988	1.2
340.01242	1.2
377.53128	1.3
378.44257	1.4
467.30124	10.1
468.30453	2.5
481.28204	2.7
611.34613	9.5
612.34827	1.4
629.35388	100.0
630.35785	21.6
647.36462	13.8
648.36780	3.4
813.43884	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	813.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.2
78.99200	0.1
79.95741	3.6
95.58861	0.1
96.96011	100.0
97.93130	0.4
97.95953	0.4
98.90683	0.2
113.92605	0.5
114.93418	1.0
202.74098	0.1
204.83562	0.1
205.06848	0.1
268.50116	0.1
329.93665	0.1
423.27728	0.1
629.36047	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18279	0.1
59.01384	0.2
69.09397	0.1
70.85506	0.1
70.85847	0.1
71.01369	0.3
75.11727	0.1
79.95738	3.7
96.96013	100.0
97.93118	0.6
97.95952	0.4
98.24400	0.1
98.90678	0.3
113.92641	0.6
114.93404	1.7
178.90529	0.1
202.27596	0.1
291.14703	0.1
433.93903	0.1
611.34338	0.3
629.35620	0.2
630.36584	0.1
671.36694	0.2
680.22070	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	809.4975
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
65.34721	2.0
70.83997	3.4
74.63592	2.3
78.95889	2.6
93.81805	2.0
277.21576	7.1
391.24136	2.3
498.85947	2.3
523.40216	2.5
809.49750	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	810.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33696	0.1
61.98830	100.0
62.98523	0.2
70.82784	0.1
70.83096	0.1
84.42637	0.1
134.09166	0.1
137.17847	0.1
145.33560	0.1
208.53764	0.1
220.12399	0.1
539.00085	0.1
695.32507	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	809.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.0
58.00600	2.4
59.01379	72.2
61.98543	1.1
61.98834	15.2
62.91230	1.1
69.03440	1.2
69.77863	3.1
69.78261	1.9
71.01382	47.1
72.99289	4.7
73.02951	12.1
81.03461	1.0
83.01403	7.3
83.10645	1.1
85.02953	17.2
86.00091	1.5
87.00884	7.7
87.04491	2.6
89.02446	28.0
93.03424	1.7
95.01390	2.6
96.95998	2.8
97.02936	2.4
99.00883	3.3
99.04559	1.3
101.02444	29.9
103.03960	4.4
113.02431	9.5
115.03979	2.9
119.03513	8.4
125.02406	2.4
129.01898	1.4
131.03487	4.4
134.21597	1.2
143.03476	6.1
157.28885	1.1
163.06107	5.5
173.04579	1.8
179.05559	1.2
191.05576	3.0
198.00783	1.0
205.07155	4.8
313.12216	1.1
315.91537	1.2
322.12152	1.1
501.30432	3.4
629.34778	1.7
647.36493	15.0
648.36572	2.1
663.35339	5.1
809.41718	100.0
810.29291	0.9
810.42102	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	809.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98131	0.8
57.03431	2.7
58.00579	3.1
59.01378	74.4
60.01708	1.1
61.98839	9.7
62.97775	0.9
69.03439	1.8
71.01382	50.5
72.01723	1.5
72.99305	5.5
73.02952	14.8
75.00865	1.2
83.01391	7.8
85.02466	1.1
85.02955	16.6
86.00069	2.1
87.00864	6.8
87.04507	2.7
89.02450	30.5
95.01366	3.8
96.30717	1.1
97.02966	2.6
99.00879	3.4
99.04515	1.9
101.02439	32.7
103.03967	4.6
111.00866	1.4
113.02454	14.5
115.04014	2.3
119.03503	11.4
125.02441	3.3
131.03514	6.1
143.03522	8.7
144.30945	1.0
145.05042	1.3
147.51254	1.1
153.09267	1.0
161.04504	1.8
163.06090	3.8
179.05595	1.8
191.05617	2.8
205.07234	5.4
229.12357	1.0
312.51840	0.9
342.43234	1.0
357.13184	1.6
501.30692	5.5
553.89691	1.2
595.33655	1.1
629.34784	1.4
647.36414	17.0
648.37030	3.1
663.36139	5.6
809.41724	100.0
810.42145	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.9
58.00573	3.2
59.01381	64.9
61.98828	9.8
63.46738	0.8
69.03434	2.0
71.01383	65.0
72.01694	0.9
72.99310	5.3
73.02950	9.5
73.38487	0.9
75.00896	1.1
83.01395	5.9
85.02953	22.4
87.00866	4.4
89.02447	44.8
95.01373	5.9
97.02955	1.8
99.00884	4.1
99.04504	1.1
101.02444	38.4
108.02159	2.8
111.00868	1.0
113.02454	25.6
119.03516	15.3
121.03033	1.0
123.04574	1.1
125.02419	2.5
129.01950	1.8
131.03481	1.9
132.66953	0.9
133.49599	0.8
141.01955	1.2
143.03494	3.6
152.01126	3.9
159.02962	1.6
161.04539	8.2
164.18207	0.8
165.01959	1.2
167.03508	7.1
176.31631	0.9
179.05612	6.6
191.05557	1.2
218.09546	0.9
221.06674	1.8
222.85002	1.0
253.51280	0.9
308.91714	0.9
464.25891	1.0
485.31128	2.5
629.35419	5.7
647.36340	16.3
648.36847	3.4
706.07471	0.9
809.41736	100.0
810.42102	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	809.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.3
57.20041	1.2
58.00586	1.8
58.58713	1.1
59.01380	51.5
61.98831	24.9
69.03445	3.6
69.76996	3.6
69.77412	1.9
71.01385	51.7
71.01781	2.7
72.01734	1.5
72.99301	4.1
73.02940	11.7
78.95892	1.8
81.03462	1.9
83.01376	6.4
83.05070	1.1
85.02946	15.4
87.00880	16.5
89.02444	44.2
93.03435	1.6
95.01390	5.0
96.96010	4.4
97.02948	6.0
98.19994	2.2
99.00864	3.6
101.01796	2.6
101.02448	42.8
111.00894	2.4
111.04571	1.4
113.02445	28.9
116.92858	1.6
119.03495	10.8
125.02452	15.8
126.02748	1.1
131.03506	6.6
133.05058	1.2
139.04057	1.6
140.84712	1.2
141.01956	1.3
143.03488	6.2
161.04533	17.0
179.05634	15.6
191.05624	1.3
203.05635	2.3
209.11832	1.3
221.04765	1.2
221.06586	6.3
235.08215	6.2
249.18594	22.8
250.19011	2.3
253.09312	9.6
263.07590	2.1
287.07687	1.8
305.08728	3.2
323.09680	3.0
379.12146	1.3
383.12021	1.6
397.13464	42.7
398.13895	4.1
415.14587	20.6
416.14337	1.7
462.32681	1.2
485.15320	1.9
559.18744	100.0
560.19141	11.6
577.19873	36.9
578.20264	5.0
597.99194	1.2
617.27924	1.3
809.37665	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	809.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	10.8
61.98540	3.3
61.98836	56.2
64.60123	2.2
65.33059	2.4
65.38319	2.6
69.03446	2.7
71.01380	28.0
72.99316	3.4
78.91888	2.2
78.95898	5.6
79.92682	2.4
79.95727	4.2
85.02947	3.1
87.00851	6.4
89.02435	6.2
96.96021	55.8
97.02941	5.1
98.95608	17.3
98.96247	2.4
99.00874	8.7
99.92587	100.0
100.92577	5.5
100.93362	3.7
101.02455	5.3
113.02384	2.4
115.92081	91.8
116.92150	4.1
116.92860	62.1
117.92836	3.4
127.00346	2.8
135.30722	2.3
141.93718	5.1
142.94431	3.1
162.02014	3.0
169.93068	10.1
171.10272	9.2
179.10820	3.8
197.11835	17.7
209.11775	8.5
226.96548	4.9
249.18643	22.1
253.09343	5.1
267.03217	3.0
277.21759	13.7
279.03311	5.3
295.02591	2.6
295.22809	26.7
309.00671	3.7
321.07727	2.9
341.19699	2.8
356.45923	2.6
381.06363	12.8
629.35376	9.1
636.98206	2.9
637.26691	11.4
638.26306	4.2
709.38049	15.1
747.30688	6.0
755.27216	3.4
773.28021	29.5
774.28705	9.5
791.29114	5.5
809.30206	38.8
809.43555	5.1
810.30548	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	808.5135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.3
61.98830	12.9
67.47885	0.3
69.94257	1.5
71.01405	1.0
78.95905	4.8
89.02452	0.4
95.05045	0.5
96.96965	0.6
97.06576	0.5
99.00906	0.3
101.02434	0.5
113.11059	0.4
140.11342	0.3
148.08891	0.9
149.09680	0.4
150.10487	0.5
151.11340	0.8
152.99623	1.1
163.11322	1.1
165.12846	22.0
166.13196	1.6
168.04321	1.1
173.73680	0.3
175.11258	0.7
176.12071	0.5
177.12752	0.4
179.66267	0.3
191.14551	0.6
197.11847	4.5
213.11469	0.3
217.15924	0.6
224.07004	0.8
242.08028	2.2
245.19055	0.4
247.20663	10.1
248.21054	0.8
260.90567	0.4
273.18613	6.2
274.18704	0.7
277.21713	63.3
278.19012	0.4
278.22073	7.0
289.18005	0.4
291.19650	100.0
292.20001	10.5
502.29401	30.0
502.35190	0.4
503.29669	5.0
513.25134	0.4
611.34387	1.3
629.35394	1.1
775.68457	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98518	0.2
67.97094	0.2
71.01365	0.3
78.95921	0.7
79.95751	0.2
80.96523	1.2
86.03404	0.2
89.98100	0.2
90.07812	0.2
94.98098	0.3
122.97638	0.3
152.99570	0.4
225.00677	0.4
229.81071	0.2
255.23341	0.3
808.50232	0.3
809.46277	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.485
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81768	0.1
60.88485	0.1
61.98832	100.0
70.03712	0.3
71.58192	0.1
80.96543	0.1
98.19920	0.1
109.33590	0.1
154.58914	0.1
157.51399	0.1
212.95401	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	807.5267
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32999	0.8
58.73219	0.9
59.01381	29.2
61.98833	33.9
67.58987	0.9
71.01378	3.1
71.51635	1.0
78.95900	3.5
80.96516	2.4
82.93220	0.9
89.02463	1.1
99.92604	4.7
101.02431	2.7
110.98534	1.5
113.02400	1.4
122.97591	2.2
129.17120	1.0
144.11511	1.0
196.89479	1.8
235.08232	2.3
251.20151	75.5
252.20522	7.7
253.09372	8.0
277.21719	100.0
278.22076	9.8
357.59671	1.0
807.39105	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	807.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.6
58.00599	4.9
59.01379	100.0
65.94845	0.7
66.36983	0.7
69.03432	0.7
71.01381	63.9
72.99314	4.7
73.02953	5.8
76.27493	0.7
83.01382	5.1
85.02950	18.8
87.00864	3.7
89.02443	57.8
95.01403	4.9
97.02897	0.9
99.00883	2.3
101.02441	34.5
102.02766	0.9
113.02445	22.7
114.02713	0.8
119.03500	22.9
129.01913	1.0
131.03494	1.9
143.03535	3.7
149.04575	1.8
159.02962	1.0
161.04575	7.0
179.05606	10.9
258.75330	0.7
305.87766	0.7
309.06827	0.8
368.11536	0.9
465.28531	21.3
466.28833	4.0
466.39346	0.9
553.67303	0.8
627.33783	45.6
628.34045	9.4
645.34827	7.8
646.34985	1.3
807.40149	40.7
808.40369	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	807.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	5.6
58.00598	4.8
59.01381	100.0
61.98819	2.3
68.99833	1.5
69.03453	2.7
71.01382	91.1
72.01697	1.8
72.99319	6.8
73.02951	23.8
75.00867	2.3
79.87867	1.2
83.01385	13.9
85.02950	34.3
86.00121	2.4
87.00871	12.8
87.04520	2.4
89.02446	56.4
95.01397	4.8
96.95969	1.1
97.02956	9.0
99.00899	7.4
101.02443	89.4
102.02811	1.6
103.03996	5.3
111.00893	7.2
113.02447	33.1
114.02774	2.1
115.03987	3.7
119.03506	28.0
123.00889	1.1
125.02433	2.7
127.04037	1.1
129.01913	3.3
131.03493	7.3
141.01949	9.2
141.28569	1.3
143.03485	13.0
145.05046	2.8
145.06111	1.8
149.04558	1.7
159.02995	5.2
161.04546	17.5
163.06126	8.9
179.05591	6.7
195.47739	1.2
205.07167	9.1
229.07349	1.5
247.08231	7.9
383.20618	3.1
463.26923	1.2
474.52524	1.2
481.28091	2.9
483.29614	4.5
529.26483	10.9
530.26611	2.5
627.33966	2.5
629.35284	2.8
643.33246	8.4
644.34082	1.4
645.34729	4.3
661.34186	4.1
662.34247	1.6
773.38788	5.6
774.41071	2.3
789.39349	3.3
807.40265	34.1
808.40546	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	807.402
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53718	0.9
57.03448	3.6
58.00589	4.4
59.01380	100.0
59.16175	0.9
60.01714	1.3
65.09048	0.9
69.03450	3.2
71.01383	68.5
72.01740	1.1
72.99316	7.0
73.02558	1.6
73.02946	24.2
75.00866	1.2
83.01383	6.7
85.02956	21.7
86.00087	3.5
87.00886	14.3
87.04504	4.2
89.02447	49.2
95.01366	4.3
97.88625	0.9
98.20668	1.9
99.00864	4.2
99.04559	1.0
101.02443	49.5
102.02795	1.6
103.04012	12.5
111.00877	4.4
113.02445	21.4
115.03995	7.2
119.03516	22.0
125.02432	3.8
127.03998	1.7
129.01961	1.6
131.03493	10.0
132.08127	1.0
141.01955	6.4
143.03491	13.5
145.05042	4.4
148.28511	1.1
159.03008	1.6
161.04539	4.4
163.06140	25.7
179.05634	4.8
198.09731	1.0
205.07198	19.0
208.22896	1.1
229.15225	1.4
247.08301	1.4
265.09286	2.2
367.73462	1.1
449.20261	1.4
483.29791	1.3
627.33978	1.7
643.34283	1.3
645.34741	4.6
754.68561	1.5
763.07294	1.1
773.39801	5.0
789.39056	1.8
807.40167	21.4
808.40656	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	806.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	19.3
69.03456	3.0
69.42088	14.0
71.01386	23.7
73.02968	10.4
77.98116	2.0
83.01403	3.2
85.02948	14.8
87.00880	9.4
89.02464	12.4
93.03466	2.7
97.02971	10.6
101.02461	25.9
109.16024	2.0
112.46827	2.1
113.02422	8.5
117.03461	36.6
119.03593	3.3
119.05031	79.2
120.05379	4.8
121.02980	2.8
125.02449	3.9
131.03517	4.4
132.05795	2.9
133.06598	8.7
134.24358	2.8
143.03517	7.3
145.02956	100.0
146.03261	4.3
161.04549	18.4
161.06081	22.8
161.24823	2.4
163.04013	79.9
179.05627	6.2
181.44061	2.3
185.06071	7.5
187.04022	4.1
201.05472	2.1
205.05070	25.3
221.06606	4.9
227.03456	2.5
229.04990	12.1
255.02940	11.8
263.07736	3.8
283.02405	22.0
284.03268	14.9
285.04025	12.8
289.07166	6.4
307.08167	15.0
346.13922	2.3
383.11768	3.4
446.08478	2.5
507.81534	2.6
571.16754	6.4
589.18073	20.9
590.17883	2.4
609.14532	36.0
649.19757	18.7
650.20636	3.3
652.06628	3.0
652.17737	2.6
788.26257	4.0
806.27161	52.2
807.27716	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	806.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	18.1
69.03466	2.5
71.01381	24.1
71.53200	1.6
71.53593	2.1
73.02950	10.0
79.01922	1.6
83.01369	5.0
85.02939	11.2
86.83092	1.5
87.00847	6.7
89.02445	12.1
93.03467	3.2
95.01366	3.0
97.02967	9.1
99.00880	2.2
101.02448	22.9
105.47942	1.8
113.02440	10.0
115.04030	2.4
117.03465	37.9
119.03486	5.2
119.05023	75.8
120.05338	3.6
121.02986	1.9
123.04369	1.4
125.02444	2.7
129.01901	1.5
131.03493	2.2
132.05794	2.2
133.06607	9.2
135.41124	1.9
143.03487	7.4
145.02957	100.0
146.03326	4.2
151.00418	1.8
159.04480	1.7
161.02495	2.7
161.04530	15.7
161.06058	19.3
163.04010	67.4
164.04346	2.8
179.05553	5.6
185.06067	5.3
187.03935	6.1
205.05061	24.1
217.05054	2.1
221.06641	6.7
229.04971	8.3
255.02905	10.4
263.07748	1.7
283.02527	16.8
284.03223	10.9
285.04037	12.4
289.07159	5.2
307.08273	11.0
446.08740	2.2
487.14606	2.5
571.16870	3.8
589.17725	19.1
590.18286	3.0
609.14636	33.8
649.19702	19.4
650.20343	1.8
771.20245	2.3
788.26483	4.6
789.26398	2.1
806.27264	63.1
807.27429	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	805.5112
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	31.5
61.98831	34.1
71.01382	2.9
78.95889	1.9
80.96539	2.9
89.02455	1.7
95.01178	1.6
101.02439	2.1
113.52441	1.0
119.03450	1.4
122.97581	2.4
161.04536	1.1
171.10504	1.1
235.08290	3.6
249.18582	61.1
250.18893	5.0
253.09328	7.6
277.21722	100.0
278.22040	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	804.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.2
60.52027	0.1
61.98830	100.0
62.39958	0.1
62.98523	0.1
66.20834	0.1
69.95072	0.6
70.92789	0.1
73.26881	0.1
77.87813	0.1
81.62868	0.1
102.78523	0.1
111.00935	0.2
202.45782	0.1
535.39838	0.1
629.36438	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	804.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98547	0.2
70.95164	0.2
71.01402	0.2
75.00874	0.1
78.95913	0.2
79.95737	0.3
80.96513	0.9
89.02493	0.1
94.98099	0.1
134.97554	0.1
164.98621	0.2
171.10286	0.4
225.00713	0.2
240.35286	0.1
251.20169	0.1
281.24954	0.1
469.06625	0.1
721.82819	0.2
804.39014	0.7
805.40137	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	5.4
58.00587	1.8
59.01379	24.5
60.89484	0.6
67.01877	1.9
71.01382	33.2
72.01718	1.0
72.99307	3.6
73.02943	5.3
75.31156	0.6
76.90404	0.6
81.49614	0.6
83.01402	3.7
84.65373	0.6
85.02950	28.3
86.03237	0.6
87.00873	15.1
89.02441	14.2
91.50553	0.6
95.01373	3.6
96.99308	11.7
99.00869	2.3
101.02443	17.2
105.01881	1.6
111.00882	35.6
113.02438	9.7
115.00373	4.4
119.03510	4.2
129.01927	6.9
140.98294	3.0
143.03484	1.4
151.47269	0.7
154.31793	0.6
159.03001	0.9
161.04555	2.7
168.78951	0.6
173.00848	3.2
173.04378	0.7
179.05618	1.6
197.36784	0.6
244.80946	0.6
249.06075	0.6
449.99612	0.7
467.30106	5.2
481.28152	2.8
507.97626	0.7
558.26233	0.8
611.34180	2.1
629.35394	100.0
630.35718	23.4
635.20050	0.7
727.35162	5.9
728.36072	1.6
759.38782	1.4
803.36719	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	4.1
57.22633	1.9
59.01376	39.2
61.98816	2.8
67.28116	1.5
69.95185	8.3
70.23484	1.9
71.01381	100.0
72.99309	2.3
73.02958	5.1
83.01379	6.2
85.02954	16.1
87.00866	4.9
88.98816	1.8
89.02448	18.7
95.01401	2.1
96.99307	68.7
99.00863	6.3
101.02455	22.4
105.01932	12.7
105.44995	1.8
111.00860	5.8
113.02428	12.5
115.00373	12.8
119.03482	4.2
129.01958	10.9
140.98312	19.2
161.04559	2.8
169.89436	2.1
215.25809	1.8
294.97086	2.2
467.30197	5.1
468.30502	2.2
497.31406	2.0
509.41125	1.9
584.48822	2.2
629.35400	98.8
630.35498	22.4
692.17059	2.1
717.11249	2.0
727.23187	1.7
727.35339	45.5
728.35883	11.0
743.38159	5.3
759.37622	4.8
761.39355	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	803.278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49263	0.8
59.01375	3.5
61.98838	3.1
67.01926	0.9
69.71864	1.7
69.72263	5.1
69.96815	1.0
71.01376	1.9
78.95911	1.1
80.05053	1.2
81.66305	0.8
85.02924	1.5
93.03440	1.2
100.52758	0.9
101.02476	1.1
106.06628	25.4
107.06946	1.1
108.04552	3.9
108.08204	1.7
124.03228	0.9
124.04036	5.4
124.07695	1.8
132.04541	3.3
132.08231	0.9
134.06117	4.5
134.09781	1.2
136.07668	1.6
139.79546	0.9
150.05591	10.0
152.07166	2.0
154.05119	2.2
160.04041	22.8
161.04454	1.5
162.05623	4.1
173.04572	1.3
174.05627	2.8
176.07146	2.4
188.05905	1.6
191.05646	3.1
193.03891	1.8
193.06120	1.0
210.05562	1.6
211.08739	3.6
212.07152	1.8
213.06458	1.9
213.08261	1.4
224.09622	1.4
225.10228	1.2
226.07507	1.2
227.05807	0.8
227.08128	2.0
227.11873	4.2
228.09029	3.8
237.06715	1.3
238.07594	0.9
239.08205	5.4
239.11835	1.5
240.10275	3.9
240.12466	1.1
241.09814	25.7
242.10228	2.5
252.08977	5.0
253.09839	9.2
254.10490	2.2
255.11389	5.1
255.15016	1.4
256.12131	16.4
257.09326	4.1
257.12900	10.6
265.09918	1.1
267.11392	13.7
268.11884	1.7
269.12894	10.1
277.09830	2.2
295.10757	7.4
311.10370	9.2
313.11945	31.4
314.12289	3.3
329.15161	1.5
339.09772	8.8
340.10172	1.0
348.13464	1.0
355.09335	1.6
367.12289	1.0
407.14847	1.4
419.18201	12.7
420.18790	1.0
435.17972	2.6
463.17230	3.4
581.19824	1.2
596.22986	1.9
598.24158	2.2
759.28815	100.0
760.29089	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	802.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
71.30549	0.2
71.53993	0.2
73.59334	0.2
75.16062	0.2
76.33329	0.2
78.95911	0.4
79.95689	0.2
80.96525	0.5
94.98057	0.2
109.91352	0.1
135.08105	0.2
171.10313	0.4
225.00838	0.2
243.30305	0.2
253.09294	0.2
277.21674	1.0
289.18304	0.6
307.19250	0.3
802.44757	0.3
803.38959	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.423
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
78.95918	0.5
78.98576	0.3
80.83227	0.2
80.96517	2.4
94.98092	0.4
116.92888	0.3
134.89502	0.3
149.42377	0.2
150.56343	0.2
164.98643	0.3
187.48351	0.2
193.51910	0.2
202.11700	0.2
225.00781	0.4
277.21695	1.0
289.18237	0.3
761.28107	0.2
802.42706	0.3
803.38690	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	801.5884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.3
61.98832	0.4
62.34763	0.1
69.71309	0.6
78.45613	0.1
80.96532	0.1
142.83139	0.1
183.65556	0.1
220.91072	0.1
255.23233	0.3
261.22235	0.5
277.21616	0.3
279.23270	100.0
280.23605	10.1
327.21866	0.2
380.65167	0.1
408.46808	0.2
711.39276	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
61.88071	0.2
61.98829	100.0
62.87650	0.2
62.98533	0.2
67.00523	0.1
69.18991	1.6
71.01382	0.2
78.95897	0.3
79.95742	0.2
80.96519	0.9
98.19874	0.3
102.48045	0.1
123.32616	0.2
132.63013	0.2
147.55040	0.1
165.47504	0.2
181.15872	0.1
187.20686	0.1
225.00719	0.2
240.22424	0.2
274.55289	0.2
468.23792	0.2
488.50217	0.2
498.63776	0.2
510.82156	0.2
802.39136	0.2
803.38654	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05417	0.5
57.03431	1.5
58.00591	1.2
59.01376	100.0
60.01709	1.2
61.98815	0.6
64.49445	0.6
69.20828	2.6
69.21244	2.3
71.01382	26.5
72.94924	0.6
72.99300	1.3
73.02940	5.7
76.71293	0.6
83.01392	3.7
84.95154	0.7
85.02947	14.5
87.00887	2.4
87.28162	0.6
89.02438	10.2
90.63194	0.5
95.01383	3.4
97.02937	1.7
98.20722	1.0
99.00889	3.3
101.02441	12.6
111.00883	1.2
112.01669	0.6
113.02447	19.4
115.04014	0.9
119.03515	3.2
124.01648	4.0
125.02449	5.0
129.01982	1.8
134.06136	0.9
138.08183	0.5
143.03500	4.9
159.03070	0.9
161.04564	2.7
179.29343	0.6
192.24252	0.6
398.15076	1.1
449.29340	2.0
450.29868	0.9
467.30023	2.8
520.25800	0.6
521.29596	0.6
557.31390	1.3
575.32654	1.7
593.33319	12.5
594.34253	2.4
611.34302	46.8
612.34686	10.1
629.35358	18.8
630.35522	3.1
653.35626	5.5
654.35889	1.2
671.36493	11.2
672.37341	2.3
673.81287	0.6
725.28918	1.8
770.49011	0.6
786.51270	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.8
58.00595	1.3
59.01381	100.0
59.89046	0.7
59.89349	0.7
60.01729	0.9
69.03452	1.2
69.37753	4.5
69.38160	1.2
71.01385	29.7
72.99311	1.2
73.02953	6.5
83.01413	3.4
85.02949	14.6
87.00885	1.7
89.02448	8.1
95.01402	3.9
97.02949	2.8
98.19817	1.6
99.00913	2.6
101.02439	13.2
111.00931	1.2
113.02459	19.0
119.03516	2.7
124.01693	3.5
125.02453	5.7
143.03505	5.2
144.03848	0.8
159.03009	1.1
161.04555	5.0
317.67792	0.7
438.19153	0.8
445.13556	0.7
449.29498	2.9
467.30466	2.5
545.30792	0.8
557.31616	1.2
575.32800	2.0
593.33270	12.8
594.33887	3.8
611.34375	53.2
612.34729	12.0
629.35516	19.6
629.45074	1.2
630.35425	4.7
653.35669	5.3
654.36633	1.1
671.36572	11.3
671.47180	1.0
672.37476	2.3
780.54199	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2091
Annotation	Isorhamnetin 3-gentiotrioside
Peak:m/z	Relative Intensity
58.14154	0.4
58.21017	0.4
59.01355	0.9
65.00330	0.7
67.17554	0.4
69.33621	3.4
83.01372	0.7
86.67214	0.5
89.02389	0.6
89.27225	0.4
98.20595	0.7
107.01373	1.8
151.00378	4.8
163.00400	0.7
164.01222	0.6
169.01372	0.4
178.99875	1.2
189.72079	0.5
191.05617	0.9
198.03201	0.6
199.03911	1.5
212.94446	0.4
214.02640	0.9
215.03468	0.8
227.03471	1.8
241.01416	1.0
242.02211	9.4
243.02956	9.7
244.03374	1.1
245.00804	2.2
254.02173	1.0
255.03050	4.2
256.03564	0.5
257.04565	2.4
270.01688	15.2
271.02448	16.5
272.02917	1.6
283.02353	0.7
284.03342	0.6
285.04044	9.3
286.04581	1.9
287.05557	1.3
291.59158	0.4
297.04169	0.6
298.01263	3.6
299.01962	21.5
300.02701	21.5
301.03223	2.0
301.06274	0.4
312.02893	0.5
313.03522	39.2
314.04269	33.6
315.05063	38.5
315.08929	0.9
316.05463	4.1
323.13510	1.2
324.13849	0.4
341.02707	0.5
356.05331	0.6
357.06143	1.2
461.07007	1.3
476.09708	4.7
477.10416	2.4
639.15637	100.0
640.15967	17.9
681.16284	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.407
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63001	0.4
57.03463	2.0
58.00587	0.7
59.01113	0.7
59.01382	11.0
69.03448	1.5
71.01382	18.9
71.53907	0.8
72.99294	1.6
73.02951	5.0
83.01380	3.3
85.02952	19.3
86.00111	0.5
87.00871	1.5
89.02450	5.9
95.01385	2.6
96.90827	0.4
97.02930	1.9
99.00895	2.1
99.04492	0.6
99.26744	0.4
101.02449	15.8
102.02762	0.5
113.01724	0.7
113.02454	9.2
119.03523	2.3
121.85017	0.4
124.01643	0.4
125.02409	0.9
129.01912	1.2
129.53496	0.4
137.02496	0.4
143.03465	0.6
151.68797	0.5
155.23871	0.4
159.02942	0.5
161.04523	1.3
179.05640	1.1
191.05493	0.5
208.11035	0.5
301.21710	0.9
303.23257	8.4
304.23535	1.2
319.22684	2.7
336.13065	1.7
345.24332	1.5
346.24417	0.5
377.47574	0.5
406.97241	0.4
463.26999	25.3
464.27301	4.0
481.28040	100.0
482.28409	15.9
523.29205	6.3
524.29590	0.7
565.29797	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	799.5213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.5
59.01378	0.8
61.98825	5.6
65.24468	0.4
71.01375	0.5
71.53882	0.6
84.95133	0.9
87.00901	0.7
97.06563	0.5
123.08176	0.5
123.26363	0.4
123.79787	0.4
125.09714	3.1
127.11328	0.6
139.11288	1.1
141.09198	1.3
141.12852	0.4
143.10728	0.4
153.09138	0.9
155.10825	0.7
155.14423	1.0
157.12335	0.6
167.10805	1.3
171.10274	1.9
185.11882	0.5
200.10538	1.9
209.11806	1.6
220.34657	0.5
239.23793	0.5
249.18616	0.5
249.22203	1.9
251.20238	1.0
265.21786	1.1
267.23221	1.2
275.20123	0.7
277.21735	0.5
283.22852	0.6
293.21219	7.2
294.21628	0.8
311.22272	100.0
312.22598	10.7
312.26059	0.8
406.17215	0.4
432.72037	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	7.0
59.01378	11.9
61.98817	2.1
69.03464	1.0
71.01381	11.8
71.53661	0.9
71.54026	0.7
72.99308	1.4
73.02949	2.7
77.50854	0.5
80.02692	0.7
83.01377	1.5
83.05047	1.2
85.02953	5.3
87.00872	1.2
89.02431	5.7
95.01406	1.1
95.05031	2.3
97.06587	21.3
98.06984	0.8
99.00900	0.9
101.02443	8.4
101.35380	0.7
102.05621	6.1
111.00883	0.7
113.02453	4.7
113.81291	0.7
119.03517	2.2
123.08173	12.5
125.02493	0.8
125.09722	100.0
126.10069	4.7
129.01915	0.8
143.10788	1.4
158.81314	0.6
161.04532	1.0
165.33527	0.6
167.10783	0.7
169.08647	3.0
171.10263	1.0
172.12846	0.7
187.09749	55.8
187.82790	0.6
188.10106	2.5
209.11838	7.0
210.12117	3.7
211.09814	1.3
227.12874	1.8
243.47887	0.7
249.18562	3.6
250.18994	2.1
621.40234	3.1
629.35345	2.5
670.37378	0.7
799.44830	95.8
800.45178	30.7
800.60388	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	799.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	6.9
58.98480	0.9
59.01380	12.8
61.98825	3.6
68.49266	0.9
69.03448	3.4
71.01382	12.5
71.53448	2.3
73.02953	3.5
80.10346	0.9
83.01376	1.6
84.04538	1.9
85.02964	5.3
89.02460	6.0
95.05037	2.2
97.02965	2.1
97.06586	17.1
99.00903	2.6
101.02441	9.1
102.05610	26.3
103.05945	1.7
111.00887	1.7
113.02431	5.1
119.03521	2.1
123.08165	10.7
125.09721	93.1
126.10049	3.5
129.01918	2.3
129.18176	0.9
137.09746	1.2
141.01875	1.9
143.10783	1.4
161.04410	1.0
163.11322	1.5
165.12856	2.2
169.08711	2.6
171.10225	1.5
187.09752	59.6
188.10097	2.9
201.11354	1.6
209.11835	30.8
210.12151	14.0
211.09807	1.6
227.12886	5.8
228.13205	2.1
235.43492	1.2
249.18568	19.7
250.18901	13.6
253.09174	2.7
254.09746	1.2
291.19611	5.9
292.19998	4.3
309.20688	14.1
310.21048	9.2
347.13513	1.3
445.20660	2.9
446.21179	2.4
474.26172	2.5
475.26660	3.1
629.34985	2.2
755.43848	2.0
799.44843	100.0
800.45245	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	799.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46150	1.3
59.01373	1.6
61.98583	1.2
61.98834	13.1
63.74253	1.3
63.96246	2.1
66.38027	1.1
66.40975	1.2
71.01372	10.6
73.02932	1.6
76.40005	1.2
78.95897	2.1
78.98608	9.4
79.95741	20.5
80.96517	100.0
82.96091	3.2
85.02941	4.0
87.00880	3.7
92.16259	1.2
94.98084	22.8
96.95976	2.0
97.02929	1.8
98.19883	4.0
101.02431	3.4
106.98094	5.4
122.88216	1.4
122.97590	6.2
125.02406	5.3
134.97588	5.7
136.99078	2.1
148.99069	8.2
152.98584	7.1
164.98627	16.9
171.10207	3.3
176.61037	1.4
188.52499	1.2
206.80943	1.2
206.99699	3.6
224.98660	2.2
225.00742	26.1
255.23323	3.8
277.21649	2.0
320.55899	1.2
395.74109	1.2
453.14536	1.9
528.79181	1.2
537.27191	4.5
665.36926	1.4
709.38354	90.2
710.38556	20.1
730.52100	1.3
737.38220	1.6
781.41333	6.1
782.40173	3.0
798.43793	1.6
799.42230	35.0
800.42426	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	798.428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.7
58.02958	0.9
59.01379	32.7
61.98820	4.0
71.01386	21.9
72.00910	1.6
72.99297	2.0
73.02953	4.9
81.02178	2.7
81.03449	1.1
83.01374	4.0
85.02949	10.5
86.02431	1.1
87.00871	1.8
88.98837	1.2
89.02446	9.3
95.01369	2.5
96.95986	1.4
97.02926	1.2
97.06598	2.2
99.00854	3.1
101.02451	12.9
111.00829	1.5
113.02447	8.9
119.03472	2.8
122.06127	1.1
124.01630	1.1
124.07683	14.3
125.02484	1.8
126.05605	23.4
127.05902	1.6
142.08731	22.1
143.09016	1.3
149.04439	1.6
150.05559	1.3
159.02992	1.3
161.04514	2.1
168.06654	20.9
186.07747	8.9
194.57118	0.9
296.53772	0.9
310.03967	1.0
344.02869	3.1
344.96335	1.0
346.11679	0.9
410.29953	0.9
420.78076	1.4
455.10822	0.9
481.28250	1.1
516.30615	0.8
525.19641	1.0
527.20538	1.1
611.34314	7.6
612.34558	1.9
620.38226	1.8
629.35339	14.8
630.35657	1.7
762.39178	2.0
798.42810	100.0
799.43115	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.5
61.98816	2.2
63.96231	2.8
69.03442	1.3
70.65136	0.8
70.65488	2.6
71.01043	1.0
71.01376	8.8
73.02924	1.1
75.60498	0.9
78.95895	0.9
78.98590	9.4
79.95277	1.4
79.95735	18.6
80.96519	96.0
81.03426	1.4
85.02947	4.2
87.00876	2.2
94.98093	22.7
96.95963	1.6
97.02942	1.7
101.02441	4.0
106.98103	3.8
122.97556	3.4
125.02451	3.8
134.97615	5.9
136.99129	1.8
148.99123	7.0
152.98618	7.7
164.98627	13.6
183.26357	0.8
206.99643	2.9
209.11842	1.9
225.00723	21.2
226.01003	1.1
241.45581	0.8
255.23232	0.9
537.27515	2.0
541.19574	1.8
765.41724	1.2
797.43579	100.0
798.43915	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	797.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52125	1.2
59.01380	14.9
59.02853	1.0
61.98817	2.2
71.01384	18.2
71.53630	1.3
71.54017	1.6
72.99315	1.8
73.02946	4.7
83.01381	1.9
85.02950	4.4
89.02441	15.1
95.01368	1.8
97.02951	1.4
99.00877	3.9
101.02443	8.7
109.28950	1.2
113.02459	5.4
114.05640	1.8
119.03504	2.8
130.63156	1.4
142.08752	1.9
149.04482	1.2
161.04546	1.6
191.05670	2.7
195.20317	1.3
302.65594	1.2
467.29898	1.9
536.78809	1.3
599.34369	2.6
611.34314	3.6
629.35291	6.7
630.36078	1.8
732.35876	1.3
761.39624	100.0
762.39819	24.5
775.37463	1.2
797.37769	8.3
798.38977	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	797.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.2
61.98812	2.9
63.96226	1.7
71.01383	9.9
71.53984	1.4
73.02930	3.1
78.98612	8.0
79.95741	19.2
80.96520	94.3
83.01360	1.1
85.02958	2.5
87.00872	3.9
94.98077	19.0
96.96030	1.9
97.02951	2.8
101.02418	2.6
106.98076	4.2
115.62560	1.5
122.97558	4.3
125.02399	3.8
128.34749	1.0
134.97589	7.3
136.99159	2.2
148.99130	7.1
152.98648	6.6
163.47691	1.2
164.98627	15.1
206.99680	2.4
209.11787	2.5
225.00739	26.2
255.23294	2.9
277.21844	2.6
322.22256	1.0
329.40878	1.0
537.27057	1.7
541.19598	1.5
794.50531	1.1
797.43579	100.0
798.43890	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	796.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.1
59.01383	7.0
59.55982	1.2
61.98836	11.5
71.01370	2.7
78.95892	1.6
84.04535	7.6
85.02982	1.3
89.02454	2.4
90.36974	1.1
97.02957	6.7
98.02450	3.3
99.00864	3.8
101.02454	1.1
102.05608	55.4
105.58002	1.2
109.06590	1.7
125.09666	3.5
142.02707	1.6
163.11290	7.4
181.12334	11.7
191.05621	1.8
207.08356	2.2
207.10255	41.0
208.10547	3.3
216.83250	1.2
224.12851	2.4
225.11320	51.2
226.11630	4.4
236.00276	1.1
243.12419	2.1
249.18575	11.8
266.17581	2.2
292.15451	2.0
310.16589	8.7
328.17618	18.8
329.18045	2.3
461.20209	3.1
564.26544	4.8
796.44861	100.0
797.45264	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	795.4898
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.4
59.01376	1.2
61.98832	2.6
69.03435	0.3
69.29423	2.6
71.01366	1.1
73.02940	0.4
78.95920	0.7
80.96539	0.3
83.05032	0.6
94.53561	0.3
96.96010	0.3
97.06561	0.9
99.00858	0.5
102.50409	0.3
105.88139	0.3
110.26121	0.3
118.25686	0.3
119.15868	0.3
123.08177	0.8
125.06071	0.8
125.09707	3.6
127.11301	0.7
137.09746	0.5
139.11238	0.7
141.09189	1.3
141.66980	0.3
151.07632	0.8
151.11278	0.5
152.08447	0.5
153.09198	1.3
153.12802	0.6
155.10741	0.7
159.34787	0.3
165.09166	0.4
169.08755	0.3
171.10271	2.5
181.12357	0.4
183.10233	0.4
183.13911	0.6
185.11842	0.7
191.05608	0.6
193.15906	0.8
197.12065	0.3
199.09737	3.3
200.10558	2.8
201.11313	2.7
209.15518	0.7
213.11369	0.8
215.12878	0.6
247.20631	3.0
248.21019	0.4
249.18582	1.3
263.20169	0.7
265.21686	1.1
273.18561	1.1
275.91510	0.3
281.21213	0.7
291.19647	7.9
292.19894	1.0
309.20685	100.0
310.21024	10.5
310.24536	0.7
313.91745	0.3
398.57895	0.3
434.19052	0.4
478.55124	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4898
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.4
59.01371	0.4
61.98845	0.4
69.03458	3.6
70.32146	0.9
71.01364	0.4
83.05029	0.7
93.03454	0.4
95.04958	0.3
107.08652	0.5
108.05800	1.1
110.03714	0.3
119.08665	7.6
121.10235	0.3
125.09707	1.0
127.11283	2.0
135.08148	1.8
137.09723	28.1
138.10028	1.4
138.64867	0.2
171.10265	100.0
172.10606	5.3
185.11855	0.8
201.11311	5.5
202.11707	0.4
213.68222	0.3
249.18655	1.4
253.09142	0.4
273.18564	2.9
289.90314	0.3
291.19662	6.6
292.20010	0.5
307.19150	0.7
308.19357	0.4
309.20679	28.2
310.21060	2.8
335.77591	0.3
524.87140	0.3
632.26276	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52267	0.1
59.01376	0.3
64.18420	0.1
71.01406	0.4
71.54304	0.3
73.02947	14.6
74.03308	0.2
75.00867	0.4
83.05020	0.4
99.00874	2.2
99.92584	9.3
100.92585	0.6
114.93460	0.3
115.00374	0.6
116.07171	0.3
116.92863	100.0
117.01938	27.6
117.92867	5.9
118.02266	0.4
118.05102	0.4
133.01447	0.3
210.89015	0.1
225.16116	0.3
286.03796	0.1
340.14255	0.1
394.54736	0.2
677.49573	2.8
678.50305	0.7
713.82672	0.2
795.30499	0.2
803.66022	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.8
59.01379	10.3
59.32290	0.8
60.94782	0.8
61.98822	8.1
69.03439	2.1
71.01379	8.2
71.54333	1.0
71.70562	0.7
73.02946	2.3
78.95892	4.7
83.01376	1.0
83.05018	1.7
85.02948	10.1
87.00854	1.2
89.02442	5.8
95.01369	1.2
96.96041	0.8
97.02943	3.0
97.06572	2.2
101.02459	5.6
102.05623	1.1
111.08160	1.0
113.02464	3.8
119.03501	1.6
125.09727	1.2
127.11266	1.1
133.05022	1.0
137.09702	3.0
143.03491	1.6
152.99614	4.4
155.10703	1.4
161.04546	3.1
167.14363	0.9
171.10255	25.8
172.10608	1.4
179.05591	1.3
183.13892	8.4
195.13770	0.9
197.11588	0.8
199.09737	2.6
199.13336	0.9
201.11278	5.2
202.11623	0.9
206.55882	0.8
209.11757	2.9
210.12180	1.4
211.11485	1.0
211.13383	12.2
221.11760	1.3
225.11247	2.5
229.14401	6.1
235.08199	6.6
239.12891	1.9
249.18582	68.5
250.18976	5.2
251.16521	2.5
253.09282	34.2
253.21501	1.2
254.09650	1.2
277.21729	8.5
278.22021	1.6
291.19598	6.4
292.20099	1.1
309.20724	20.5
310.20987	2.9
317.97919	0.8
319.40314	0.9
327.21753	100.0
328.22040	11.6
399.13904	0.8
461.20197	1.1
545.29437	2.8
546.30353	0.8
559.39941	3.1
563.30701	4.8
621.27185	1.0
622.27209	1.3
623.27838	4.9
795.44928	3.0
796.43896	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	795.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.3
58.00592	1.6
59.01380	27.5
61.98830	5.5
64.12323	0.6
67.05529	0.6
69.03446	2.3
71.01382	32.9
71.05019	2.1
72.01718	0.8
72.99308	1.9
73.02948	5.8
78.95940	0.5
83.01392	4.5
85.02947	13.6
87.00895	1.8
89.02444	13.9
93.07107	2.0
95.01406	3.6
95.08715	0.6
96.96016	3.2
98.19836	0.9
99.00879	3.1
99.54816	0.7
101.02446	16.4
111.00881	1.8
111.08173	0.9
113.02446	13.7
114.02698	0.8
119.03497	5.3
121.06570	4.8
124.13622	0.6
125.02463	2.1
129.01961	2.2
139.07648	100.0
140.07964	3.5
141.01895	0.7
143.03468	2.6
153.09209	0.9
159.03023	1.5
161.04518	3.9
171.10320	0.7
179.05475	1.4
183.10255	1.4
191.05661	0.8
449.29059	2.0
467.30032	7.7
468.30545	0.9
611.34338	35.4
612.34528	8.3
629.35419	87.5
630.35791	21.4
795.41174	2.7
796.42535	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	795.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.8
58.00589	0.9
59.01379	25.4
61.98832	6.9
63.58514	0.7
67.05525	0.8
67.12642	0.6
69.03451	2.5
71.01382	33.1
71.05035	1.6
71.11095	1.0
72.99303	2.8
73.02949	6.2
75.00867	0.7
83.01379	4.6
84.02163	1.0
85.02953	16.1
87.00877	2.5
89.02444	15.7
93.07095	2.1
95.01395	2.6
96.96014	4.0
97.02930	1.3
99.00883	3.7
101.02442	18.7
111.00863	1.7
111.08150	1.2
113.02448	15.3
119.03487	5.2
121.06602	5.6
124.01721	0.9
125.02464	2.0
129.01920	1.8
131.03552	0.7
139.07648	100.0
140.08008	4.0
143.03494	3.1
149.04530	0.6
153.09210	1.5
157.10898	0.6
159.02974	1.1
161.04549	4.3
179.05620	1.8
181.30260	0.6
183.10272	1.4
185.91637	0.6
191.05629	1.3
249.73155	0.6
449.28946	2.0
467.30054	8.0
468.30408	1.7
547.32397	0.7
611.34399	33.3
612.34680	8.1
629.35382	88.0
630.35736	16.8
795.41608	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	794.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95964	0.2
59.01379	0.4
61.98830	100.0
71.01379	0.6
71.54314	0.4
78.95911	1.2
80.91692	0.4
89.02433	0.3
92.09565	0.2
99.00903	0.2
101.02491	0.4
111.08208	0.2
125.09752	0.2
152.99629	0.6
171.10289	1.4
172.10547	0.3
197.11763	0.2
209.11871	0.5
235.08412	0.4
247.16989	0.3
249.18634	2.3
250.18915	0.4
253.09352	1.0
255.23384	0.3
265.18182	0.4
277.21835	1.0
283.19226	0.3
289.18069	0.8
290.18582	0.6
291.69849	0.2
293.21301	0.4
309.20847	0.7
310.21118	0.3
319.39832	0.2
327.21738	1.6
403.56314	0.2
479.76157	0.3
485.75894	0.2
520.21216	0.3
560.14117	0.3
563.95959	0.2
622.27887	0.9
745.44061	0.2
758.46417	0.3
794.44629	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	1.0
59.01370	1.5
61.98817	1.9
69.03471	0.5
69.33508	4.4
71.01421	0.6
73.02969	1.0
73.03896	0.5
79.28486	0.5
92.37014	0.6
97.06581	1.6
107.08668	6.9
109.42050	0.4
114.32806	0.5
119.08686	2.0
123.08155	1.5
125.06077	0.7
125.09725	6.4
127.11337	0.6
135.08188	0.6
137.09744	3.1
141.09230	0.6
149.09705	0.6
151.07635	1.1
151.11298	0.8
153.09196	0.8
153.12840	0.5
155.10733	0.6
164.35150	0.5
171.10310	2.4
176.73216	0.5
177.09247	0.7
181.12326	0.8
183.13843	0.5
185.11812	1.1
191.14406	0.7
195.10280	0.6
197.11826	0.5
199.09753	10.8
200.10474	3.5
201.11348	0.8
209.15395	1.2
213.11284	2.1
215.12892	0.5
219.90228	0.5
245.19069	7.2
246.19318	0.6
249.18370	0.5
263.20126	1.5
271.16971	1.3
279.19843	1.1
280.92401	0.5
289.18103	10.1
290.18478	0.7
307.19131	100.0
308.19449	9.6
410.67642	0.6
464.84259	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.7
59.01390	14.4
60.94026	1.9
61.11707	1.8
61.98828	62.4
63.56413	1.8
63.99162	1.7
65.04417	1.9
71.01377	27.2
71.53056	2.6
71.53430	2.7
72.99294	2.1
78.95909	4.3
87.00869	2.2
89.02441	4.2
96.96011	19.1
97.06582	2.4
98.95586	5.2
99.00874	5.5
99.92561	3.2
101.02428	6.0
109.06592	3.3
110.52184	2.3
113.02446	3.3
115.92079	9.2
116.92847	5.7
125.09736	3.5
152.99673	3.3
163.11296	3.0
164.98770	2.2
171.10291	27.7
179.67825	2.5
181.08752	2.6
181.12386	4.0
185.11821	2.6
185.68048	2.7
197.11774	2.6
199.09764	27.7
199.13344	2.9
200.10088	2.6
201.11282	34.4
207.10245	16.9
209.11864	4.0
225.11334	21.2
235.08138	7.9
243.12254	5.0
249.18571	11.1
253.09296	15.3
261.14920	2.6
277.21704	100.0
278.22021	9.5
311.16904	7.0
325.20279	2.9
435.18671	7.5
461.20120	8.2
479.84195	2.3
481.25595	4.2
621.27435	4.1
695.40088	4.2
721.42505	10.1
739.43073	5.3
757.42743	11.2
758.43280	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	793.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	15.4
61.86613	2.3
61.98830	72.5
66.29958	2.0
71.01378	25.0
71.54537	2.0
71.54917	2.5
73.02952	2.3
78.95900	6.7
80.96518	3.1
87.00887	4.4
89.02465	4.7
89.36764	2.1
96.96005	12.5
97.71364	2.2
98.95618	6.0
99.00881	5.6
101.02441	5.5
109.06593	6.1
113.02527	4.3
115.92081	9.3
116.92911	5.2
119.03542	3.1
125.09711	5.5
127.11292	2.6
151.00354	3.1
152.99506	4.8
155.10696	2.2
161.04602	2.4
171.10251	30.2
181.08725	4.3
181.12395	3.5
185.11870	2.6
199.09740	27.9
199.13353	3.7
201.11337	31.0
202.11729	4.2
207.10240	23.0
209.11873	4.0
225.11307	26.7
235.08228	9.1
243.12434	2.5
249.18524	8.5
253.09238	15.2
261.14926	3.5
277.21741	100.0
278.22128	14.3
311.16913	9.8
325.20102	3.0
435.18802	7.5
443.19577	3.9
461.20163	5.6
695.39594	6.1
721.41650	8.0
739.42596	7.6
757.43634	13.3
758.43530	2.8
759.19312	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	793.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84169	0.1
59.01371	0.6
61.98830	28.4
62.98535	0.2
63.99253	0.3
65.64378	0.1
69.39848	0.7
69.40276	0.5
71.01393	0.4
73.02947	13.0
74.03285	0.2
75.00875	0.2
80.96512	0.2
95.97626	0.2
96.95982	0.1
99.00874	2.0
99.92583	12.0
100.92594	0.6
114.93404	0.6
115.00398	0.4
116.92863	100.0
116.97206	1.7
117.01938	22.1
117.05589	0.2
117.92873	6.3
118.02285	0.6
131.94440	0.2
147.74261	0.2
149.41180	0.2
220.82047	0.1
222.90404	0.1
277.21603	0.5
397.13254	0.5
397.25635	0.2
415.14703	0.2
793.40039	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.6
60.03560	0.1
61.98536	0.2
61.98832	3.2
63.36247	0.2
64.22520	0.1
69.55663	0.9
71.01389	0.8
73.02946	13.4
74.03271	0.3
75.00868	0.4
78.95895	0.2
85.02969	0.2
87.00858	0.3
89.02441	0.3
98.20721	0.3
99.00883	2.1
99.92580	11.7
100.92626	0.4
101.02496	0.3
114.93434	0.5
115.00362	0.3
115.99968	0.1
116.92862	100.0
116.97240	1.8
117.01939	22.1
117.92870	6.2
118.02209	0.4
118.05247	0.2
206.65123	0.2
276.83804	0.2
277.21732	0.5
397.13455	0.8
415.14709	0.3
428.08759	0.2
590.72272	0.2
793.64722	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98538	0.2
66.55086	0.1
71.01409	0.1
79.87827	0.1
98.19743	0.2
176.03108	0.1
229.00443	0.1
230.55324	0.1
271.22870	0.5
272.23141	0.4
280.23746	0.2
402.92017	0.1
779.07782	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	792.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71344	0.1
59.39717	0.1
61.98830	100.0
62.98539	0.1
63.99256	0.1
64.13457	0.1
70.20427	0.3
71.67783	0.1
78.91896	0.3
101.64143	0.1
101.92896	0.1
104.70207	0.1
134.09781	0.1
149.30254	0.1
152.84776	0.1
234.11621	0.1
249.18571	0.1
313.57956	0.1
393.91144	0.1
501.26718	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	792.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98528	0.2
62.99249	0.1
63.04167	0.1
73.02963	0.1
78.95914	0.3
80.96475	0.1
82.25189	0.1
98.19868	0.3
99.92594	0.2
109.13790	0.1
116.92893	0.4
129.18254	0.1
152.99628	0.2
201.11528	0.1
249.18713	0.1
250.71437	0.1
265.18250	0.1
282.69504	0.1
309.20813	0.1
392.86127	0.1
506.89291	0.1
548.58881	0.1
574.48016	0.1
647.13007	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	792.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98536	0.2
74.83767	0.1
78.95930	0.1
94.71968	0.1
98.20695	0.1
629.34753	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	792.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98028	0.6
58.02985	2.2
59.01368	0.6
61.98834	3.4
69.54636	2.7
71.01376	0.6
72.00883	0.8
73.04058	0.7
74.00700	1.5
74.02473	6.6
74.97675	0.4
75.81996	0.3
81.04562	1.0
82.02989	3.1
84.04551	0.4
85.04078	2.5
86.02476	3.7
87.05624	1.7
89.02417	0.5
96.95976	0.7
97.04065	8.8
97.93152	0.4
98.02467	0.5
99.05658	3.5
100.00388	3.5
100.04052	0.6
101.00713	0.4
102.00186	5.7
102.05613	1.0
105.99682	10.5
107.06146	1.1
109.04070	1.4
111.05660	0.7
113.03586	1.3
113.07187	0.7
114.00186	2.6
116.01781	1.3
123.05666	0.7
125.03552	1.3
125.07162	0.4
126.04314	0.5
127.05132	1.4
128.03539	40.1
129.03876	0.7
131.02792	1.1
135.05637	3.6
141.03046	1.9
142.21895	0.4
143.03571	0.7
143.04623	12.0
143.05765	0.6
145.06133	0.6
146.04588	1.8
151.05115	1.7
152.08252	0.4
153.06686	5.4
160.00748	5.7
164.08269	0.7
166.09802	0.4
167.04543	0.5
167.08258	0.8
169.06186	2.9
170.03291	0.5
175.01808	11.7
176.00281	0.8
176.02086	0.4
179.04616	6.5
181.06082	0.5
182.09337	1.8
185.03885	1.5
185.05563	0.5
197.05658	6.7
203.04927	1.3
208.07248	1.1
210.08798	1.6
226.08321	3.5
252.06293	1.3
254.07770	3.7
260.07059	0.8
270.07489	0.4
272.08859	12.4
273.09268	0.7
286.05045	3.7
304.06064	100.0
305.02917	0.5
305.06345	6.1
321.06277	0.8
322.07120	5.6
323.07309	0.6
341.76434	0.4
418.63989	0.4
769.20709	0.4
792.34100	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	791.4344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	19.4
61.98827	100.0
71.00990	9.3
71.01352	8.6
76.64436	4.3
78.95905	28.1
96.96007	5.4
128.84857	4.4
147.86391	4.4
152.99641	21.8
199.04175	4.8
201.38571	5.1
209.11821	22.8
249.18585	16.5
253.09218	8.9
277.21732	54.8
278.22189	7.0
323.18408	5.0
523.62830	5.5
791.43970	10.7
792.43256	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	791.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	3.3
57.03447	3.8
58.00607	4.3
58.21780	0.6
59.01380	89.7
59.39823	0.8
60.01725	0.9
61.98833	1.0
62.94216	0.6
64.84653	0.8
69.03458	3.6
71.01383	54.3
72.01707	0.7
72.15406	0.7
72.99310	7.1
73.02947	40.4
75.00873	0.7
81.03441	0.8
83.01387	8.2
83.05045	1.2
85.02953	24.7
86.00084	4.3
87.00877	19.6
87.04509	6.6
89.02444	31.3
95.01382	2.3
97.02968	4.3
97.11975	0.8
99.00894	3.6
101.02447	47.7
102.02773	1.4
103.03392	1.1
103.04017	15.1
107.27309	0.6
111.00893	1.7
113.02444	12.4
115.04010	11.8
119.03498	12.4
125.02416	4.7
127.04029	1.6
129.01949	1.7
131.02541	1.1
131.03506	16.6
132.03798	0.8
143.03505	19.8
145.05060	5.8
159.02951	1.1
161.04561	3.3
163.06120	34.2
164.06418	1.3
177.04103	0.8
179.05548	1.7
180.18283	0.7
181.12808	0.7
185.45004	0.7
205.05255	1.4
205.07167	21.5
206.07478	1.0
229.19237	0.8
247.08202	0.9
265.09277	3.3
273.17065	0.7
314.15176	0.7
336.10333	0.8
483.29453	4.1
614.65631	0.7
627.34613	1.5
629.35480	7.6
630.35443	1.5
645.34918	10.9
646.35138	2.6
648.75275	0.8
791.40649	100.0
792.41064	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.1
55.39625	0.9
56.86884	0.9
57.03439	3.4
58.00587	2.1
59.01381	59.5
60.39134	1.0
69.02985	0.9
70.94467	1.2
70.94804	1.5
71.01385	45.5
72.01754	1.0
72.99296	2.8
73.02946	7.1
74.86506	1.1
83.01398	8.6
85.02463	1.2
85.02956	20.8
87.00871	3.6
89.01933	1.9
89.02451	26.0
95.01389	5.3
99.00865	3.3
101.02444	23.0
110.72802	1.1
111.00886	3.2
113.01733	1.6
113.02454	22.9
119.03509	10.0
121.41844	1.0
125.02444	1.3
127.89107	0.9
129.01941	1.9
143.03493	2.0
159.03067	1.3
161.04527	4.2
165.08800	0.9
179.05586	3.5
467.30090	3.2
611.34216	2.1
629.35394	42.2
630.35516	9.4
791.40710	100.0
792.40991	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	4.0
57.03448	2.8
58.00581	2.3
59.01381	69.2
59.24800	0.6
60.01715	1.1
61.98829	1.0
64.02850	0.5
66.36994	0.5
66.89912	0.5
67.01876	0.8
69.03458	2.7
71.01384	63.2
72.01705	1.1
72.99322	4.0
73.02948	12.4
75.00865	1.7
77.32941	0.6
81.03437	0.7
83.01383	8.1
85.02456	1.3
85.02953	22.9
86.00078	2.1
87.00882	10.7
89.02447	33.2
95.01386	4.7
97.02943	3.1
99.00883	4.5
99.04485	0.7
101.02444	44.2
102.02785	1.3
107.96153	0.6
111.00887	4.7
113.02450	23.0
114.02758	0.7
115.97610	0.6
119.03506	9.0
124.01692	0.8
125.02442	3.4
129.01932	2.9
131.03493	6.4
141.01933	1.6
143.03496	3.7
159.02927	1.2
161.04576	7.2
174.01434	0.6
174.56425	0.6
179.05585	6.2
185.63837	0.6
221.06651	5.4
263.07669	1.7
299.66922	0.6
322.65875	0.6
323.09692	0.9
394.08325	0.6
467.30222	3.8
468.30270	0.8
469.09814	0.7
611.34222	2.9
629.35394	42.8
630.35638	9.2
645.35388	0.7
764.62817	0.7
791.40686	100.0
792.41034	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.6
57.03438	3.0
58.00578	2.3
58.48659	0.8
59.01377	52.7
69.03445	1.2
69.95522	0.7
71.01379	51.4
72.99303	2.8
73.02940	11.4
75.00883	1.1
83.01389	6.3
85.02945	21.7
87.00864	3.4
89.02441	27.2
94.27903	0.7
95.01388	5.3
97.02941	2.1
97.42504	0.7
99.00878	4.3
101.02440	35.1
101.03113	1.7
111.00854	2.9
113.02442	19.4
119.03493	9.0
125.02428	3.4
129.01868	1.1
131.03490	2.5
141.01923	0.8
143.03470	2.5
149.04483	0.9
156.84386	0.9
159.02971	1.0
161.04521	8.6
179.05574	4.8
210.95102	0.8
221.06650	2.0
229.00832	1.0
236.22487	0.9
263.07681	1.2
305.30475	0.8
467.30176	3.4
611.34326	2.2
629.35394	32.2
630.36145	6.0
771.54395	0.8
791.40637	100.0
792.41022	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	791.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	3.4
55.02111	0.5
57.03443	3.9
58.00595	5.0
59.01380	90.1
60.01719	1.5
61.98840	0.7
69.03462	3.0
71.01384	60.8
72.99313	6.4
73.02947	33.4
75.00881	1.6
81.03438	1.0
83.01391	8.9
85.02950	23.6
85.76453	0.5
86.00101	3.0
86.03320	1.1
87.00875	13.7
87.04521	3.9
89.02446	35.8
92.77207	0.5
95.01401	4.1
96.96040	1.4
97.02971	2.2
98.19855	1.2
99.00888	2.5
99.04530	0.7
101.02445	46.0
102.02795	0.9
103.04007	10.0
103.06751	0.6
111.00923	1.5
113.02456	14.5
115.04018	6.9
119.03509	12.3
125.02432	4.0
127.04026	1.4
129.01967	2.1
131.03503	11.4
133.71703	0.6
143.03500	14.9
144.03888	0.6
145.05095	3.8
159.03047	0.9
161.04559	2.1
163.06128	21.9
179.05565	1.8
205.05280	1.0
205.07169	14.8
206.07570	0.6
229.06924	0.5
238.62274	0.6
265.09311	1.7
273.17096	0.9
280.35284	0.6
306.54245	0.6
343.79407	0.6
418.75479	0.6
459.79303	0.6
483.29736	4.9
484.29889	0.7
517.31549	1.0
611.34064	1.2
627.33905	2.0
629.35455	13.1
630.35718	2.1
645.34857	11.5
646.35236	2.1
707.73212	0.6
791.40674	100.0
792.41052	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36545	0.2
59.01376	0.3
61.98830	100.0
62.98535	0.2
68.99582	1.0
69.48190	0.9
69.48602	0.4
71.01384	1.3
75.40451	0.2
78.95908	0.4
86.05746	0.1
86.99441	0.2
89.02456	0.4
97.93162	0.2
98.20514	0.3
101.02478	0.5
105.36797	0.2
112.98579	1.1
113.02473	0.3
114.05623	0.7
114.93416	3.8
115.00378	3.3
162.78694	0.2
277.21835	0.9
278.22284	0.2
359.96533	0.2
397.13391	1.5
398.13977	0.2
415.14606	0.3
656.33118	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98544	0.2
64.82588	0.1
71.51891	0.1
75.00845	0.6
78.95920	0.3
80.03011	0.1
96.96035	0.4
171.15550	0.1
209.11844	0.1
249.18613	0.2
382.97299	0.1
434.51956	0.1
728.40411	0.1
790.30603	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	790.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98507	0.1
65.57117	0.1
66.61730	0.1
78.95904	0.1
86.29470	0.1
98.20665	0.3
143.76315	0.1
146.91109	0.1
152.82437	0.1
246.67946	0.1
251.12946	0.1
305.17468	0.2
332.17065	0.1
654.32379	0.1
820.56903	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	790.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.2
58.00572	1.1
58.02971	16.4
59.01381	19.2
61.98811	4.8
66.03494	2.4
69.30619	11.2
70.98656	1.2
71.01384	13.2
72.00904	2.1
73.02942	4.4
74.02091	2.1
74.02475	29.2
80.03833	1.5
81.04572	2.8
82.02983	3.6
83.01382	2.7
85.02956	16.1
86.02478	11.7
86.06097	2.8
87.05618	5.5
89.02428	10.2
89.83794	1.1
96.04549	2.2
97.04078	2.8
99.00845	2.4
99.05637	27.1
101.02441	10.6
101.07191	5.0
102.05612	4.9
107.06190	1.5
109.04097	6.5
109.07690	1.7
111.00903	1.2
111.05634	2.2
112.04051	3.1
113.02442	5.8
119.03462	3.8
123.05656	1.8
125.03525	4.5
126.90350	3.7
127.05105	5.1
128.03543	84.7
128.90178	3.3
129.01941	17.2
129.03893	2.0
135.05615	7.0
137.07236	2.2
141.06686	2.8
143.04616	97.0
144.03160	1.4
144.04967	2.6
145.06143	3.7
146.04588	10.0
149.07196	1.9
150.03214	1.4
153.06662	4.1
163.06125	1.6
166.09882	6.0
167.04587	3.9
167.08308	7.5
170.03300	2.9
171.04216	1.7
179.03137	0.8
179.04590	23.2
181.06111	2.2
184.10873	1.8
185.05748	2.3
191.05606	1.9
192.07814	3.2
197.05635	2.3
210.08815	21.1
254.07816	38.1
255.08379	2.0
272.08878	90.3
273.09235	4.9
275.65726	1.2
517.28436	7.3
629.35284	1.7
645.34814	3.5
661.33575	6.0
772.36890	11.5
790.38055	100.0
791.38928	35.7
818.89557	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.277
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00598	1.2
59.01381	14.6
63.99535	1.1
69.03439	1.7
71.01389	17.7
72.99295	1.3
73.02949	7.2
78.92261	1.0
79.60061	0.9
83.01382	4.0
85.02946	7.2
87.00858	5.1
89.02448	10.6
93.03477	1.2
95.01385	1.8
97.02944	7.6
101.02446	19.1
113.02460	10.6
115.03985	1.3
117.03476	35.7
118.03805	1.7
119.03510	4.5
119.05028	63.8
120.05354	3.5
121.02932	2.2
123.13760	1.1
125.02469	3.3
131.03485	1.5
132.05736	1.7
133.06578	5.5
136.49252	1.0
143.03519	5.2
145.02954	100.0
146.03307	6.3
151.00357	1.2
159.04524	1.4
161.04546	11.0
161.06059	10.5
163.04005	59.8
164.04301	2.6
179.05623	2.4
185.06029	3.3
187.04002	3.6
191.40347	1.2
200.04361	1.5
201.05656	1.2
205.05046	15.8
221.06650	2.8
229.05064	6.7
263.07919	1.4
265.07254	1.6
271.02438	10.5
272.02762	10.3
272.25262	1.0
273.03043	6.5
274.03409	2.3
289.07022	1.9
299.01984	17.0
300.02377	19.8
301.02582	14.3
302.02853	7.2
303.03812	2.9
307.08154	5.7
377.99985	1.3
383.11908	2.0
463.08401	3.1
464.08551	4.5
465.08917	2.2
571.16840	1.6
589.17773	12.4
626.14453	2.2
627.14648	3.7
628.14630	7.3
634.75592	1.3
649.19775	7.1
790.29053	59.2
791.28687	15.3
801.32623	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.4
56.98617	0.3
57.03451	1.4
58.00621	0.8
59.01382	13.0
61.98830	9.0
68.99602	0.9
70.18978	0.3
71.01384	16.2
71.05043	0.6
71.53326	0.4
72.99323	1.4
73.02946	5.4
75.00896	0.5
83.01402	2.8
84.02188	0.3
85.02954	9.2
85.03462	0.6
86.15438	0.3
87.00906	1.3
89.02448	4.8
95.01392	2.0
96.96031	0.3
97.02979	1.0
97.06583	0.3
97.67446	0.3
98.66217	0.3
98.95765	0.3
99.00879	3.9
99.04539	0.5
101.02438	11.3
102.02806	0.4
102.76141	0.3
103.04038	0.6
112.98610	0.9
113.02455	6.4
119.03491	1.4
125.02469	0.5
125.09681	0.6
129.01968	0.9
143.03513	0.6
149.06094	0.3
155.45296	0.3
161.04570	1.0
163.06125	2.2
163.11273	0.7
165.74039	0.3
171.10295	0.5
181.12364	1.3
199.13385	0.8
205.07179	0.4
207.10269	2.1
211.13464	0.7
225.11290	3.2
229.14386	0.4
238.04369	0.3
243.12415	1.0
301.21710	0.7
303.23273	6.1
304.23651	0.7
319.22836	1.1
327.21796	1.3
346.98917	0.3
461.20535	0.3
463.26849	1.5
481.28043	100.0
482.28400	18.0
603.49457	0.4
629.35284	0.5
636.95728	0.4
643.04669	0.3
789.42712	9.8
790.43311	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	789.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.7
57.03442	1.8
58.00584	1.5
59.01377	22.1
61.98828	1.7
67.01936	0.5
69.03461	0.8
71.01379	21.1
71.30240	1.2
72.99306	2.0
73.02951	5.1
75.00868	1.5
83.01394	4.2
85.02949	10.2
87.00863	2.6
89.02443	8.1
95.01394	1.9
97.02937	0.9
97.14934	0.6
99.00877	2.2
101.02439	13.4
102.22351	0.5
103.03993	0.8
103.05923	0.6
111.00880	3.2
113.02457	6.6
119.03503	1.8
131.03490	0.9
141.01910	1.4
143.03488	1.4
161.04582	1.1
174.55467	0.6
179.05577	1.0
191.05666	0.7
227.46428	0.5
303.23328	6.5
304.23605	0.9
319.22763	2.3
481.28162	3.3
482.27811	0.7
498.58810	0.5
576.74878	0.6
609.32422	3.6
610.33209	1.2
627.33838	100.0
628.34186	19.9
628.44604	0.8
629.35278	2.5
630.35986	0.7
647.44464	0.7
789.42102	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	789.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.9
57.03450	1.7
57.25768	0.6
58.00585	1.0
59.01380	23.9
71.01381	64.1
71.98104	0.5
72.01719	1.5
72.98893	0.8
72.99307	17.5
73.02945	4.5
83.01393	2.7
85.02956	10.1
85.37502	0.6
87.00874	2.3
89.01942	0.8
89.02450	12.1
95.01388	1.6
96.99306	1.2
98.19842	1.0
98.20530	3.3
98.64089	0.6
99.00871	2.0
101.02452	12.7
111.00871	1.8
113.02458	7.9
115.00378	8.1
119.03502	6.6
125.02422	0.5
129.01927	1.1
143.03473	0.8
159.02991	1.5
161.04552	2.3
179.05617	1.7
229.35980	0.6
339.55405	0.6
342.81543	0.6
376.91098	0.6
467.30026	7.9
468.30362	1.2
611.34467	0.7
629.35413	100.0
630.35748	21.3
727.35870	3.8
728.36023	1.4
745.36469	7.2
746.37244	2.5
754.86633	0.7
768.88611	0.6
823.51965	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.7
57.07813	1.3
59.01377	34.2
61.71129	1.4
66.35809	1.3
71.01385	100.0
71.30383	1.7
71.30689	1.9
72.01708	2.6
72.99313	35.3
73.02960	6.5
79.52578	1.3
83.01390	3.7
85.02958	12.4
86.66631	1.3
87.00838	1.4
89.02454	15.3
96.99289	2.0
99.00871	2.2
101.02441	16.1
102.67795	1.5
111.00866	2.7
113.02438	11.8
115.00368	9.6
119.03489	6.0
129.01926	1.5
161.04535	2.1
168.32268	1.4
240.66742	1.5
293.65933	1.4
320.66870	1.4
390.35327	1.5
420.06949	1.6
467.29999	5.3
487.32437	1.5
537.28711	1.7
629.35406	94.0
630.35571	25.1
720.76898	1.6
727.35321	7.2
728.36993	1.8
742.26862	1.5
745.36572	22.2
746.36871	8.3
786.19708	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	789.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.7
58.00581	1.9
59.01374	28.0
61.98828	6.1
63.66625	1.7
69.34675	4.5
69.35104	10.4
71.01382	72.5
72.09407	1.7
72.99306	20.5
73.02948	5.1
79.86902	1.7
83.01385	2.7
83.23549	1.6
85.02951	11.3
87.00861	2.0
88.04023	2.9
89.02438	10.0
92.67880	1.5
98.19903	3.4
99.00911	3.5
101.02444	19.5
101.42932	1.7
111.00909	1.6
113.02440	8.5
115.00380	5.2
119.03524	4.4
134.72824	1.7
135.62572	2.1
159.02985	6.5
159.06631	3.4
160.06122	2.7
270.94086	1.7
276.58859	1.7
429.01154	2.2
467.30243	6.0
481.28079	2.1
627.33777	2.7
628.34375	1.9
629.35406	100.0
630.35797	22.0
727.35284	4.1
745.36768	7.3
789.41766	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	788.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.9
61.98830	100.0
71.01384	0.2
78.95918	0.5
91.65212	0.2
98.20745	0.4
116.41625	0.2
171.10371	0.2
191.05646	0.4
199.36220	0.2
281.06116	0.2
333.15396	0.2
497.23871	0.2
547.63831	0.2
554.84027	0.2
673.21967	0.5
788.45117	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	16.3
61.98829	13.1
67.68903	1.1
69.84115	1.2
71.01382	3.4
78.95901	3.5
83.05010	4.2
85.02947	5.7
89.02425	2.0
98.20676	2.7
99.26468	1.4
101.02461	2.1
113.02361	1.6
119.03468	1.4
123.13537	1.2
129.01936	3.7
138.18181	1.2
163.11275	3.1
165.12857	2.2
172.00102	2.3
209.11818	100.0
210.12109	6.8
227.12866	10.1
249.18597	48.7
250.18958	4.0
253.09238	6.4
269.88663	1.4
277.21698	2.1
299.02069	1.3
396.89771	1.7
445.20685	2.5
459.01959	1.6
567.20532	1.6
669.27802	2.4
670.27753	1.6
787.30182	4.9
788.29840	1.7
818.89911	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	787.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14721	0.3
59.01367	0.4
63.02405	0.8
65.00334	0.9
69.26571	0.3
70.55278	0.5
70.55616	0.8
83.01397	0.5
84.04491	0.3
85.47134	0.4
107.01392	1.5
133.02995	0.6
151.00362	4.7
167.65698	0.4
168.35153	0.3
171.04471	1.1
173.02409	0.5
175.00377	1.1
175.03966	0.7
178.99857	2.1
183.04527	0.6
187.03973	0.4
199.03984	3.6
201.01956	1.0
203.03358	0.4
215.03506	1.9
226.02724	0.6
227.03519	2.8
242.02129	0.5
243.02986	4.2
254.02087	0.7
255.03012	2.5
271.02463	54.1
272.02798	4.0
281.04471	0.5
282.01773	0.4
299.01962	100.0
300.02563	18.0
300.91034	0.4
301.03506	10.5
302.03915	0.7
323.13382	0.4
341.05185	0.6
343.04651	0.5
355.04538	0.4
462.08017	20.1
463.08713	4.7
505.09845	0.6
625.14099	25.4
626.14490	4.7
787.19379	38.6
788.19769	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	787.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
62.88350	0.5
63.02420	0.8
65.00349	0.6
66.76753	0.5
69.24698	0.6
80.69605	0.6
83.54152	0.5
88.08668	0.6
101.92221	0.6
107.01398	1.7
121.02944	0.7
149.02473	0.5
151.00371	6.2
175.00256	0.7
175.04002	0.8
178.99844	1.3
199.04022	3.3
201.01909	1.3
215.03563	1.8
227.03494	3.0
239.85985	0.6
243.02966	3.3
255.03108	3.1
271.02463	57.7
272.02792	5.3
299.01947	100.0
300.02524	21.8
301.03485	16.6
302.03735	0.9
322.20508	0.5
325.03244	0.6
342.04150	0.6
359.49890	0.6
457.56445	0.6
461.06711	0.6
462.07993	18.5
463.08609	5.3
473.21277	0.6
625.03638	0.7
625.14081	20.1
626.14508	3.1
787.19330	42.4
788.20099	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	784.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10055	0.1
59.01352	0.1
61.98830	100.0
62.98526	0.2
64.65247	0.1
65.94751	0.1
69.26569	1.5
71.01382	0.6
73.02949	0.2
78.95938	0.1
78.98612	0.5
79.95731	0.6
80.96514	5.9
82.96101	0.3
85.02970	0.2
87.00893	0.2
94.98076	1.2
97.02962	0.1
101.02459	0.2
106.98092	0.3
125.02463	0.3
134.97615	0.4
148.99149	0.5
152.98605	0.5
164.98586	0.9
183.44865	0.1
206.99634	0.2
225.00735	1.6
225.11302	0.2
226.00928	0.5
277.21625	0.2
370.60190	0.2
436.50754	0.2
527.29999	0.1
740.40045	0.3
783.42059	0.5
784.42358	6.8
785.41681	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	785.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.7
61.39449	0.3
61.98532	0.4
61.98816	2.1
62.81627	0.3
71.53645	0.5
71.54047	0.5
77.03976	0.4
85.02943	0.4
88.04038	0.4
91.01913	0.7
103.75464	0.4
105.01942	0.4
108.90211	1.5
120.02219	0.6
120.49505	0.4
121.02956	100.0
122.03310	3.6
132.55931	0.4
136.01669	0.7
165.01945	2.6
171.10310	0.8
181.05162	0.6
181.06601	2.5
181.07977	0.4
191.03505	1.9
191.05508	0.7
197.06001	0.5
209.04546	64.0
210.04881	3.7
225.05609	2.3
249.18654	0.9
267.19638	0.9
277.21677	1.4
283.19589	0.4
313.07108	3.7
357.06088	1.8
371.71219	0.4
380.77917	0.4
395.86365	0.4
401.08698	9.8
402.08914	1.2
466.34756	0.4
502.29739	0.5
575.11438	0.4
785.16797	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	784.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.3
61.98832	100.0
62.98511	0.2
63.96241	0.2
70.21909	0.5
71.01395	0.6
78.95953	0.1
78.98597	0.4
79.95720	1.0
80.96519	4.9
82.96092	0.3
85.02962	0.2
85.47138	0.1
87.00883	0.2
94.98092	1.2
97.02937	0.2
101.02466	0.2
101.62234	0.1
106.98103	0.2
110.57912	0.1
122.97570	0.4
125.02477	0.2
134.97594	0.4
135.02412	0.1
137.05437	0.1
148.99129	0.5
152.98639	0.4
161.67993	0.2
164.98578	1.0
165.42854	0.2
225.00699	1.2
225.11299	0.2
226.11659	0.2
277.21698	0.4
278.22211	0.2
293.02090	0.1
341.65802	0.1
710.22186	0.1
740.38330	0.2
783.41974	0.2
784.42291	6.4
785.42157	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	783.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
69.65275	10.8
73.30488	9.8
78.74553	9.2
78.95897	54.8
99.92589	31.7
106.14022	10.3
145.70154	9.3
168.26067	11.0
193.90776	12.8
196.89543	25.0
255.23331	16.0
324.06128	9.9
423.33197	9.9
559.38721	11.4
658.84796	12.5
783.38855	36.8
806.43585	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	784.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
56.69415	0.4
57.03444	1.8
58.00585	1.1
59.01378	19.5
61.98832	2.4
69.03450	0.7
70.61744	0.4
70.62099	1.0
71.01382	23.9
72.99302	2.3
73.02950	5.7
75.00881	0.5
83.01383	4.0
85.02953	13.5
87.00864	1.6
89.02444	12.8
95.01382	2.6
99.00880	2.8
99.04470	0.4
101.02443	17.3
108.38107	0.4
113.02447	11.7
119.03497	5.2
125.02464	1.0
129.01933	0.4
129.26952	0.3
131.03471	0.4
139.04041	0.7
140.07095	0.4
141.05316	0.4
143.03496	2.3
149.04527	0.5
151.11263	0.4
161.04604	2.5
174.39221	0.4
179.05602	3.1
208.10953	0.9
235.51091	0.4
249.64842	0.4
259.20596	0.4
301.21445	0.8
303.23282	7.5
304.23615	0.8
313.43112	0.4
319.22800	3.4
320.13495	16.9
321.13837	1.5
345.24387	1.6
375.93674	0.4
463.26990	27.0
464.27219	4.8
467.38956	0.4
481.28036	100.0
482.28403	14.5
482.34244	0.2
523.29193	7.0
524.29364	1.5
565.30060	0.8
583.30975	0.5
770.08228	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.8
57.03437	0.9
57.14724	0.3
58.00571	0.4
59.01379	13.2
61.98827	0.9
69.78029	2.1
71.01382	15.7
72.99301	0.8
73.02943	3.1
83.01378	1.4
85.02949	6.6
87.00867	1.5
88.04031	0.6
89.02442	6.8
89.02950	0.6
95.01379	1.7
96.24854	0.4
97.02955	0.5
98.20084	1.1
98.20651	0.5
99.00874	1.3
101.02442	8.2
111.00880	0.9
112.01637	0.4
113.02448	9.1
113.11315	0.4
119.03493	3.3
124.01685	0.7
125.02443	1.3
125.09718	1.0
127.11324	2.9
129.01927	0.8
143.03534	2.4
153.09219	0.7
159.03011	0.6
161.04536	2.9
171.10266	100.0
172.10594	4.5
179.05637	1.2
193.15932	0.5
209.11798	0.5
356.53421	0.5
449.28949	0.9
467.30209	2.9
555.13434	0.5
575.32373	0.8
611.34351	32.9
612.34711	7.3
629.35400	22.6
630.35852	4.8
688.57556	0.5
783.44745	1.1
784.45215	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.6
56.68108	0.4
57.03449	1.3
59.01380	11.2
61.98831	1.6
67.47163	0.4
68.13537	0.4
69.03443	0.4
69.96610	0.4
71.01384	17.1
72.99319	1.0
73.02942	3.1
73.27287	0.4
78.95882	0.5
79.43771	0.4
83.01393	1.4
85.02953	7.1
87.00900	1.6
88.04057	0.5
89.02446	7.2
95.01404	1.4
97.02936	0.9
99.00879	1.3
101.02441	9.4
111.00862	0.9
113.02454	9.0
113.64007	0.4
116.92911	0.4
119.03484	2.9
124.01642	0.5
125.02445	1.4
125.09699	1.5
127.11317	2.3
129.01971	0.8
143.03522	2.2
159.02985	0.7
161.04579	2.6
171.10268	100.0
172.10622	5.1
179.05602	1.0
191.84305	0.5
209.11935	0.5
417.95593	0.4
449.28925	1.1
467.30270	3.1
468.30698	1.0
529.00592	0.4
537.30969	0.5
565.80774	0.4
575.32599	0.6
581.33490	0.4
611.34369	31.7
612.34644	7.1
629.35394	22.4
630.35663	4.7
652.35590	0.5
783.44324	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	783.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.4
59.01368	2.9
61.98829	3.9
62.96406	1.0
67.01897	0.9
71.01386	2.7
78.95904	100.0
83.05014	0.5
85.02946	1.4
86.57155	0.4
89.02461	1.5
96.95985	0.7
96.96959	7.6
99.38568	0.5
101.02448	1.4
110.06113	2.5
111.00880	1.7
112.04041	0.7
113.02440	1.3
120.96993	0.8
128.07184	4.8
136.96431	1.1
138.98062	1.4
150.98009	1.3
152.99583	68.0
153.99873	0.8
154.05078	2.3
171.00629	17.0
172.06105	0.8
183.13789	0.5
213.01640	1.9
223.00084	0.6
241.01103	0.5
313.03268	2.4
315.04849	0.7
327.21695	1.7
331.04425	2.9
445.56461	0.5
481.27518	0.6
594.80188	0.5
601.75653	0.5
605.30536	1.3
611.34064	1.9
629.34998	4.8
783.35681	49.7
784.36243	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	781.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
67.15155	14.9
73.15762	14.0
74.10229	18.4
78.95905	35.4
88.21046	14.3
98.19843	34.2
104.30399	13.8
145.09453	15.0
173.23418	14.7
277.21753	33.8
336.41739	18.2
351.70267	19.2
352.17081	14.3
381.46182	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	781.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20926	9.5
57.56794	10.9
61.98836	100.0
70.95915	16.4
71.92548	9.4
77.15728	9.3
78.25093	10.2
78.95907	21.2
122.97563	19.5
138.54355	10.4
174.93990	10.5
182.68480	10.5
196.89432	11.3
277.21884	17.8
649.77484	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	781.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.9
61.98827	8.2
63.96233	1.4
71.01385	12.2
73.02941	2.4
78.98587	5.6
79.95741	48.5
80.96519	81.0
81.03434	1.2
85.02949	3.8
87.00863	3.8
89.02440	2.1
94.98088	19.9
96.96004	2.2
97.02947	2.0
101.02418	6.0
106.98066	3.7
113.02464	2.0
119.03540	1.5
122.97576	8.3
125.02444	5.2
127.03987	1.8
128.07176	4.6
134.97598	6.4
136.99127	2.4
148.99142	6.7
152.98660	9.8
161.04469	1.7
164.98625	14.4
182.99689	3.4
206.99669	5.6
225.00742	32.0
241.00172	3.0
243.01805	4.0
263.35165	1.0
299.04398	7.1
303.23300	2.3
315.03909	1.1
368.86758	1.0
398.08746	2.9
603.28418	15.1
604.28741	2.9
611.34363	4.7
629.35205	2.2
759.91272	1.1
781.33221	100.0
782.33514	24.5
801.31653	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	779.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01318	0.8
57.03423	0.7
59.01379	15.7
61.02944	4.7
61.98841	4.2
71.01379	12.7
71.54465	0.9
72.99309	5.4
73.02946	25.3
75.00877	1.6
76.22092	0.7
78.79857	0.7
83.59624	0.8
87.00893	2.0
87.04514	1.4
89.02415	4.0
94.56947	0.7
99.00890	3.7
99.92580	10.0
101.02442	1.4
105.01934	4.8
108.92272	0.7
113.02445	1.8
115.00376	24.5
116.92860	100.0
117.01939	47.0
117.92867	6.6
118.02328	1.0
119.03519	1.0
131.03496	1.0
132.02997	0.9
133.01434	59.7
133.05074	15.7
134.01776	1.3
147.72916	0.7
173.04596	1.7
271.90372	0.6
276.18869	0.7
361.57581	0.7
546.75299	0.7
645.34747	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	777.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10187	0.4
57.03447	1.0
59.01379	1.0
61.98823	3.8
67.01899	0.5
69.03448	1.9
69.25851	0.8
69.26246	3.2
71.05037	0.4
78.95921	0.4
80.02722	0.3
81.03463	0.7
83.05042	1.1
85.02951	0.8
95.05007	0.5
97.02949	9.6
97.06593	0.8
109.06583	0.7
110.03754	0.4
111.08173	0.6
117.03487	0.3
119.08685	1.1
121.06693	0.3
121.10249	0.3
123.04502	0.3
123.08169	0.8
125.09711	1.6
127.11294	0.7
134.86403	0.3
135.04526	0.4
137.09737	2.8
145.02975	0.7
151.11279	1.1
153.09142	0.5
153.12785	0.4
163.11253	1.9
165.09158	0.4
165.12837	4.3
166.10019	0.4
167.10764	0.4
171.10271	8.4
175.11362	0.5
177.12822	0.7
179.14455	0.8
181.12341	1.1
183.10371	0.4
183.13896	1.3
185.11792	1.0
191.05588	0.4
193.10701	0.3
193.12297	2.6
193.16006	0.5
195.13881	1.5
207.84204	0.3
209.11909	2.1
211.13414	1.3
217.16013	0.3
221.11884	0.7
221.15431	0.4
223.13359	0.7
225.11513	0.5
227.12952	2.4
233.15491	0.6
239.12817	1.2
240.13551	0.5
247.20654	5.1
251.16411	0.4
273.18628	1.9
291.19653	46.9
292.19992	5.4
309.20697	100.0
310.21060	11.1
467.29880	0.5
475.60672	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.7
58.00597	0.4
59.01379	8.5
61.98825	8.3
68.19879	0.4
69.03436	1.1
71.01376	6.1
71.05015	0.8
71.26196	0.4
72.99289	0.5
73.02938	1.7
75.81097	0.4
77.65567	0.3
78.95897	0.7
81.03449	0.6
83.01391	0.5
83.05012	1.0
85.02933	1.0
85.19201	0.5
87.00862	0.7
89.02461	3.6
97.02968	0.4
97.06610	0.7
101.02431	4.0
109.06551	0.6
111.08167	6.5
111.72889	0.4
112.08539	0.6
113.02462	2.2
119.03506	1.3
119.08694	0.5
125.09737	0.4
137.09689	1.4
151.11308	0.5
152.99596	0.4
153.12819	0.8
153.61024	0.4
161.04530	1.9
167.10640	0.5
169.12312	3.1
171.10239	4.6
179.05652	0.9
179.10783	0.5
181.12379	0.9
185.11804	1.2
195.10371	0.4
195.13902	0.5
195.24611	0.5
197.11826	34.8
198.12195	2.3
199.13455	2.2
205.12340	0.4
205.19571	0.6
209.15469	5.4
210.15834	0.4
211.13373	5.2
221.15369	0.8
223.13388	0.5
223.17078	2.1
225.15015	3.0
227.12837	1.3
229.19542	0.9
231.17433	0.7
233.15419	2.1
235.08255	3.6
247.16905	0.9
249.18573	100.0
250.18915	8.8
251.16498	5.2
253.09274	19.4
254.09648	0.9
263.16730	0.7
263.20129	2.7
265.18054	1.4
273.18658	3.5
277.21671	4.1
278.22073	0.5
281.17499	1.6
291.19650	27.0
292.19992	2.7
309.20694	53.1
310.20987	4.8
418.67154	0.4
433.20975	0.7
527.28766	0.5
545.30103	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38305	0.8
59.01360	3.6
59.37086	0.9
61.98832	7.4
65.26964	0.7
70.20322	0.8
71.01381	3.5
71.53555	0.9
78.29249	0.9
85.02951	61.2
86.03295	1.1
87.00867	2.1
88.98785	1.1
89.02436	1.9
93.03447	1.0
99.00887	6.4
99.61333	0.8
101.02444	3.1
113.02422	1.3
119.03469	0.8
126.90388	2.8
128.03532	5.4
128.89287	1.4
128.90172	21.5
129.01942	100.0
129.05585	1.9
130.02267	3.4
143.04547	0.9
177.99655	1.6
179.05573	1.3
182.74525	0.8
191.05472	0.9
192.01245	1.1
197.61797	0.9
206.31317	0.7
236.86821	0.8
248.03883	1.2
249.04623	1.9
272.08746	1.2
313.11371	4.9
467.09021	5.5
481.28012	3.5
570.59283	1.0
593.11792	1.0
647.36713	6.6
648.36395	3.2
777.41870	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	776.4589
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98537	0.2
68.01437	0.1
69.86230	0.6
98.20644	0.1
114.43153	0.1
119.26084	0.1
132.80341	0.1
191.95107	0.1
227.04585	0.1
557.87842	0.1
559.43170	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	776.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.9
61.98829	100.0
67.01892	0.6
69.78881	0.3
70.75869	0.3
71.01392	0.6
71.52943	0.3
72.30804	0.3
78.95909	0.7
87.00866	0.5
89.02444	0.4
93.03470	3.3
94.03809	0.8
96.73028	0.3
99.00886	0.4
101.02454	0.4
111.04501	0.4
121.19672	0.4
125.09741	0.4
163.11266	0.3
171.10275	0.5
173.04555	3.0
174.04982	0.3
181.12369	0.8
191.05609	0.5
199.13322	0.3
207.10303	1.1
209.11853	0.3
225.11356	1.4
243.12448	1.1
245.00838	0.3
249.14981	0.4
249.18620	1.3
250.18954	0.6
251.20140	0.9
253.09355	0.4
277.21945	0.4
289.18219	1.4
290.18524	0.9
352.06940	0.5
412.59351	0.4
713.41022	5.2
714.41663	1.8
776.39343	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	776.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78918	0.1
61.98831	100.0
62.98528	0.2
66.29293	0.1
67.50558	0.1
71.30509	0.3
75.15745	0.1
78.95909	0.2
79.34798	0.1
97.01584	0.1
142.25822	0.1
155.60023	0.1
170.60873	0.1
252.44093	0.1
328.13104	0.1
415.92941	0.1
544.80450	0.1
737.32043	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	776.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98030	0.6
58.02974	1.8
59.01381	1.7
59.38374	0.3
61.98829	5.1
66.03506	0.5
71.01370	1.9
71.01943	0.5
71.99133	0.4
72.00919	0.9
73.02944	0.5
73.04061	0.6
74.00694	1.6
74.02469	7.8
79.08073	0.3
81.04572	1.2
82.02982	2.6
84.04551	0.6
85.02939	0.5
85.04062	1.8
86.02486	3.3
87.00880	0.4
87.05643	1.7
89.02450	0.7
93.03449	0.9
95.02563	0.3
97.04076	10.0
98.02489	0.7
99.05633	3.8
100.00405	3.5
100.04041	0.8
101.02439	0.9
102.00192	5.4
102.05621	0.7
105.99685	10.6
107.06184	0.9
108.04535	0.6
109.04076	1.5
111.05681	0.6
112.04047	0.5
113.03580	1.1
113.07201	0.4
114.00186	2.1
116.01778	1.3
123.05621	0.4
125.03557	1.5
125.07172	0.6
127.05163	1.7
128.03539	43.1
129.03873	1.2
131.02878	1.2
135.05641	3.1
137.07187	0.7
139.05075	0.5
139.08748	0.3
141.03073	2.2
141.06721	0.6
143.04623	13.9
144.04932	0.6
145.06148	0.6
146.04588	1.5
151.05116	1.6
152.08252	0.4
153.06696	5.4
155.08255	0.4
160.00725	6.3
164.08289	0.8
166.09891	0.7
167.08307	0.6
169.06166	2.6
170.03304	0.9
170.09283	0.4
173.04526	0.8
175.01813	12.2
176.00336	0.4
177.99622	1.9
179.00478	0.7
179.04607	7.8
180.04890	0.4
181.06242	0.4
182.09355	1.8
182.10759	0.3
185.03882	1.4
185.05600	0.7
191.05606	0.7
192.01273	1.4
197.05656	6.1
197.07280	0.6
203.04930	1.3
208.07356	0.9
210.08841	1.8
226.08324	4.3
248.03822	1.0
249.04636	2.0
250.05315	0.4
252.06198	1.2
254.07831	6.1
254.10349	0.6
260.07022	0.7
272.08859	15.2
273.09210	0.9
286.05066	3.1
292.02881	0.4
293.03543	1.3
294.04251	0.5
304.06073	100.0
305.06363	7.3
321.06360	0.9
322.07162	6.0
323.07507	0.4
466.08072	0.9
467.08868	4.9
468.09012	0.6
776.34833	1.6
777.39203	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	6.6
58.92906	0.3
59.01373	0.5
66.03487	0.9
70.02976	0.6
70.03500	0.2
70.89770	0.2
71.01392	0.7
72.00908	0.9
74.02473	13.6
81.04586	0.9
82.02987	1.6
84.04535	0.4
85.04041	0.4
86.02477	5.0
86.06127	0.8
86.99106	0.5
87.05627	2.9
88.04056	0.4
89.02477	0.3
90.00207	1.1
95.02517	0.4
96.04562	0.7
96.96024	0.8
97.04076	1.8
98.19867	0.7
99.00909	0.3
99.05643	10.9
99.06298	0.5
101.07184	2.1
102.05610	2.0
107.06142	0.7
109.04056	2.0
109.07724	0.4
110.04378	0.3
111.05658	1.1
112.04057	1.3
113.07180	0.3
116.01778	0.9
120.01217	0.5
123.05645	1.5
124.04026	0.7
125.03558	1.5
126.01954	0.7
126.04378	0.3
127.05127	2.5
128.03540	34.0
129.03900	0.6
129.99677	0.3
131.03595	0.3
131.04631	0.5
135.05635	3.3
137.07213	0.8
139.05153	0.4
141.06697	2.5
143.04619	42.5
144.05017	1.4
145.06178	2.0
146.04604	4.5
149.07190	0.5
153.06712	3.1
155.08304	0.5
160.00735	10.2
166.09845	2.2
167.04620	3.4
167.08279	2.3
170.03300	1.1
171.04094	0.8
171.07788	0.4
177.03404	4.6
179.04623	9.9
180.05055	0.4
181.06171	1.1
182.94379	0.3
184.10840	0.5
185.05678	1.5
192.07753	1.4
197.05690	1.7
198.08763	0.5
207.10034	0.3
210.08839	9.4
210.98869	0.3
211.09071	0.5
213.03371	0.4
225.11226	0.3
228.09955	0.6
242.07779	0.7
254.07826	13.8
255.08095	0.5
269.82883	0.3
272.08868	25.7
273.09174	1.2
288.03510	0.6
288.06586	8.8
289.06757	0.7
306.07645	100.0
307.07935	6.8
580.93329	0.3
758.33740	0.4
776.34283	12.3
777.34814	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	775.5321
Annotation	Unknow
Peak:m/z	Relative Intensity
61.09394	0.1
61.98829	100.0
62.98512	0.1
63.61988	0.1
69.71388	0.1
69.87588	0.1
70.25562	0.2
70.25959	0.2
81.81418	0.1
91.80831	0.1
98.20000	0.1
114.99022	0.1
123.70389	0.1
124.70582	0.1
129.93640	0.1
180.70415	0.1
215.54851	0.1
376.24573	0.1
461.49796	0.1
602.46991	0.1
787.87323	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	775.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.1
59.09352	0.1
68.99571	0.5
69.49812	0.3
69.50224	0.3
78.95901	11.2
79.95732	3.1
94.98080	0.2
96.96011	100.0
96.96922	16.1
97.95953	0.4
99.35839	0.1
112.98573	0.4
127.05129	0.1
155.08286	0.1
186.21451	0.1
199.07222	0.4
221.05980	0.1
368.64294	0.1
516.50500	0.1
686.84778	0.1
775.28979	0.4
775.47412	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.5
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28214	0.7
59.01363	0.7
61.98830	25.9
69.03466	4.5
71.01383	1.3
71.52016	0.9
78.95900	2.9
83.05034	1.0
119.08655	7.7
127.11315	1.3
135.08186	2.0
137.09720	27.8
138.10020	1.0
152.99553	1.4
156.92256	0.7
171.10263	100.0
172.10591	5.5
191.05597	1.1
201.11333	5.4
229.19664	1.1
246.29486	0.8
273.18567	2.1
291.19653	6.6
292.20020	1.4
309.20688	27.8
310.21219	2.6
512.73413	0.7
775.44012	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	775.4116
Annotation	Lyciumoside IV
Peak:m/z	Relative Intensity
55.01883	3.6
55.63622	0.3
57.03448	3.2
58.00602	2.4
58.42437	0.3
59.01379	61.5
60.01707	0.8
62.14180	0.3
67.01873	0.3
68.99831	0.5
69.03455	2.5
71.01381	49.4
72.01723	0.6
72.99313	4.6
73.02946	24.0
75.00878	1.0
81.03448	0.7
83.01387	11.5
83.05061	0.3
84.02168	0.4
85.02950	21.8
85.08928	0.3
86.00097	2.1
87.00876	8.7
87.04521	3.2
88.01234	0.3
89.02445	20.3
95.01379	3.3
97.02945	3.3
98.19789	0.6
99.00883	4.0
99.04526	0.5
101.02444	33.7
102.02807	0.4
103.04008	5.3
110.80548	0.3
111.00877	2.1
113.02451	13.2
114.02784	0.4
115.04011	4.3
119.03508	7.0
125.02447	4.0
126.72378	0.3
127.03987	0.6
129.01970	3.5
131.03506	6.1
141.01970	0.5
143.03506	8.0
145.05058	2.0
159.02968	1.2
161.04587	2.2
163.06123	7.4
177.04062	0.4
179.05605	1.1
205.07161	7.1
206.07455	0.3
225.23828	0.4
229.07135	0.4
229.20203	0.4
247.08214	1.3
251.71999	0.3
265.09390	0.7
467.30167	5.6
468.30582	0.8
552.84766	0.3
611.34320	1.7
613.35852	12.6
614.36176	2.1
629.35352	15.5
630.35944	3.1
775.41144	100.0
776.41504	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.7
57.03440	3.2
57.08541	0.6
58.00590	3.6
59.01379	65.4
59.15137	0.5
65.54154	0.5
69.03448	1.1
71.01380	45.5
72.99310	3.3
73.02557	0.9
73.02945	12.0
75.00867	0.7
83.01393	7.2
85.02950	23.6
86.00066	0.6
87.00868	2.8
87.04511	0.8
88.78654	0.6
89.02444	22.2
95.01391	3.8
97.02943	2.0
99.00884	3.7
101.02441	29.8
103.04019	2.0
111.00877	3.9
111.68686	0.6
113.02450	16.2
114.02773	1.1
119.03503	8.6
125.02425	1.6
129.01939	1.7
131.03488	1.3
141.01949	1.3
143.03481	3.1
149.04567	0.6
150.98993	0.6
159.02992	1.2
161.04584	3.8
162.48755	0.5
163.06058	1.9
179.05557	1.6
247.08174	2.0
278.75830	0.7
307.10138	0.9
457.78790	0.6
467.29886	6.2
468.30762	0.9
473.18359	0.6
611.34283	9.9
612.35010	1.5
613.35724	2.4
629.35376	54.1
630.35785	13.0
775.41174	100.0
776.41492	30.2
776.56116	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.0
61.98832	20.3
67.24672	0.5
69.03454	0.5
69.20190	0.5
69.44055	3.6
71.01379	3.6
73.02950	0.9
78.95896	0.6
80.67677	0.5
81.03481	0.6
81.66457	0.5
83.01382	0.6
85.02949	2.6
87.00888	0.8
88.90684	0.5
88.98788	0.7
89.02444	1.7
98.19894	1.0
101.02468	3.1
113.02435	1.1
117.03470	39.3
118.03799	1.6
119.05026	20.6
120.05356	0.7
121.02882	0.5
143.03487	0.6
145.02954	100.0
146.03307	5.0
163.04019	24.0
164.04370	1.0
167.07233	0.5
210.98068	0.5
417.16611	0.5
525.41479	0.5
597.34326	2.4
597.98157	0.5
598.34515	0.6
629.35260	1.7
635.24823	0.8
742.43646	0.5
775.39136	52.0
776.39557	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	775.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.7
59.56392	0.5
60.71664	0.4
61.98830	15.5
65.06758	0.4
70.92529	0.7
70.92853	0.6
71.01379	4.0
73.02950	1.4
75.00874	0.6
78.95922	0.5
83.01380	0.5
85.02950	1.7
87.00897	0.8
89.02447	1.3
96.96040	0.7
98.20333	0.6
101.02444	2.7
102.93869	0.4
103.00352	0.7
113.02435	1.7
116.92903	0.5
117.03468	40.5
118.03799	1.3
119.05032	19.8
119.17311	0.4
120.05402	1.2
145.02954	100.0
146.03294	4.7
163.04008	23.4
164.04349	1.0
169.62482	0.5
171.10268	0.6
401.09753	0.5
427.03720	0.5
597.34528	2.4
620.73584	0.5
629.35571	2.0
630.35498	0.5
775.39124	59.2
776.39478	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	775.376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	3.4
57.03440	3.9
58.00594	2.7
59.01379	97.3
60.01720	1.3
61.98834	4.8
67.01888	0.8
69.03454	3.3
71.01382	70.6
72.99299	6.9
73.02947	25.7
80.41708	0.7
81.03474	1.0
83.01389	12.9
85.02953	28.7
86.00089	2.3
86.03300	1.0
87.00878	13.5
87.04508	3.2
89.02446	27.7
95.01390	6.9
97.02950	4.2
98.19899	2.1
99.00877	7.7
101.02444	47.3
102.02774	1.6
103.04007	5.4
107.97388	0.7
109.02939	0.8
111.00906	3.3
113.02448	28.3
113.27634	0.7
114.02750	1.4
115.04023	4.6
119.03502	11.4
124.01657	2.2
125.02450	9.7
126.90473	0.8
127.04005	0.9
129.01933	3.8
131.03531	5.8
141.01935	0.9
143.03508	9.6
145.05037	2.0
149.04733	0.7
159.03041	1.4
161.04541	5.9
163.06126	10.7
177.04198	0.7
179.05586	1.8
191.05638	1.1
205.07181	8.6
211.25923	0.7
229.07172	1.1
247.08243	1.3
296.78729	0.8
467.30209	9.2
468.30344	2.1
481.28055	0.9
485.31180	1.9
593.33118	1.4
611.34357	12.9
612.34485	2.4
613.35822	12.3
614.35767	2.4
629.35376	49.3
630.35834	8.6
647.36353	9.5
648.36884	2.1
671.36322	6.2
672.37347	1.6
689.37494	10.2
690.38049	2.7
775.41174	100.0
776.41510	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.3
61.98830	100.0
62.98531	0.2
63.74644	0.1
69.94640	0.1
69.94973	0.5
71.01369	0.1
78.95927	0.2
79.62742	0.1
93.03462	0.7
114.25954	0.1
133.02962	0.2
171.10301	0.3
173.04532	1.9
185.11777	0.1
249.18701	0.4
289.18176	0.4
307.19345	0.2
425.02640	0.1
673.39728	0.1
746.85187	0.1
775.39966	0.2
782.25177	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	774.392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.9
61.98830	100.0
62.98534	0.3
71.01387	0.5
78.73347	0.3
78.95908	0.4
80.91446	0.2
96.96028	1.0
97.02967	0.4
97.06631	0.4
98.20674	0.5
98.63139	0.3
99.00887	2.4
101.77096	0.3
125.09746	0.6
163.11325	1.0
181.12373	2.2
182.12782	0.3
199.13382	1.9
207.10222	3.1
225.11325	5.5
226.11717	0.4
243.12364	4.1
249.18663	0.9
296.59247	0.2
367.77466	0.3
461.20459	0.4
479.21445	1.0
711.39606	22.1
712.40021	6.0
712.51971	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.98535	0.1
71.53946	0.2
73.02947	0.1
78.95922	0.3
101.54740	0.1
110.47723	0.1
116.92881	0.3
117.01980	0.2
117.92886	0.1
119.94739	0.2
132.16730	0.1
152.99480	0.1
182.06033	0.1
209.11902	0.2
381.80341	0.1
595.83734	0.1
668.96613	0.1
775.44208	0.2
785.42426	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	773.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
59.09538	7.3
67.43906	6.5
71.01380	27.4
72.04411	7.3
75.00871	16.9
85.02952	15.4
87.92119	7.7
89.02411	9.8
90.97102	6.6
94.94763	6.9
101.02448	12.2
113.02442	18.4
136.98863	6.4
178.30782	6.7
183.71288	7.3
194.63428	7.3
261.25262	6.8
273.50537	6.5
468.50104	8.7
593.33179	12.4
611.34277	42.5
629.35339	29.0
640.62067	9.2
671.36371	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	10.7
59.01380	17.6
61.09300	1.4
61.98834	11.4
68.05040	1.5
69.33709	3.9
69.34128	7.5
71.01378	10.4
72.99281	1.5
73.02959	3.2
74.02470	27.3
74.02856	2.4
81.04607	1.8
82.02991	3.6
84.04574	2.3
85.02952	7.1
86.02473	11.6
87.00886	2.3
87.05640	5.2
88.98785	1.5
89.02449	4.9
93.03402	1.6
95.01403	1.5
96.04548	2.1
96.96026	3.2
97.04064	2.4
98.19894	2.7
99.00864	2.7
99.05645	22.8
101.02431	6.7
101.07204	7.2
102.05614	7.0
107.06142	1.8
109.04075	5.8
109.44841	1.5
111.05640	3.1
112.04015	4.0
113.02438	5.8
119.03530	1.6
123.05630	1.9
124.04066	2.8
124.07664	1.6
125.02603	1.3
125.03513	6.1
126.04418	1.8
127.05112	5.9
128.03542	64.8
129.01926	4.7
129.03868	2.4
135.05635	7.8
137.07149	1.8
140.76750	1.4
141.06668	2.5
143.04622	80.4
144.70256	1.5
145.06197	3.0
146.04576	9.1
153.06706	5.4
159.25690	1.4
166.09828	4.2
167.04593	4.3
167.08281	6.1
170.03336	2.5
179.04587	21.0
181.06186	2.2
185.05705	2.8
190.86719	1.3
191.05653	3.1
192.07780	3.4
193.48921	1.3
197.05606	2.3
197.11855	1.6
209.11755	1.6
210.08788	15.3
225.11342	3.0
228.10092	1.5
241.67876	1.5
254.07808	30.4
255.08133	2.5
272.08868	57.0
273.09137	4.0
339.23495	1.6
346.23807	1.5
466.28494	1.6
474.75317	1.3
501.28659	2.6
569.18860	1.5
628.34174	3.9
629.35254	2.5
645.34222	8.2
646.35468	2.4
689.35040	1.5
756.37506	10.8
757.37653	2.9
774.38525	100.0
775.39032	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.396
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18332	2.5
54.66558	3.3
56.68307	2.9
57.03447	5.5
59.01381	100.0
61.98829	5.8
66.57854	3.1
70.09867	10.7
71.01377	42.5
71.75328	3.4
72.99302	3.3
73.02959	5.1
75.00880	27.7
77.64617	3.4
85.02967	13.0
87.00893	6.4
89.02451	11.1
92.40008	3.0
95.01374	4.2
96.95896	3.2
96.96974	3.3
99.00897	7.9
101.02462	17.2
111.00903	3.5
113.02460	13.6
115.00385	7.7
116.97242	3.6
119.03522	4.1
124.01682	4.7
125.02409	4.2
130.93098	3.8
142.99870	21.9
145.01469	4.3
161.00862	7.7
161.04607	3.7
197.11862	4.0
202.39679	2.9
236.58090	3.3
246.36436	3.0
302.35199	3.5
312.81311	4.3
345.31042	3.3
481.28046	4.3
524.28851	3.4
587.75519	3.2
593.33258	11.9
611.34314	38.7
612.34351	7.8
629.35486	41.7
630.35815	10.3
631.36371	3.7
653.35406	8.4
671.35864	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	773.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85015	0.1
59.01368	0.4
61.98830	6.5
70.12993	0.7
71.01373	0.5
78.95904	11.3
79.95734	3.7
89.02462	0.2
92.82987	0.2
94.98076	0.3
96.96013	100.0
96.96924	12.4
97.95956	0.3
98.02480	0.2
98.19986	0.2
105.23138	0.2
110.55256	0.2
277.21652	0.4
277.88071	0.2
397.13632	0.5
435.07950	0.3
453.09329	0.5
627.57269	0.2
713.30878	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.8
61.98832	12.0
69.75407	0.2
71.01382	0.5
71.30669	0.3
78.95906	9.9
79.95745	3.9
80.16866	0.2
94.98091	0.5
96.96015	100.0
96.96922	10.8
97.95920	0.2
100.26921	0.2
152.99599	0.2
179.57445	0.2
277.21628	0.3
397.13724	0.3
407.17822	0.2
435.07898	0.4
453.09341	0.5
713.31146	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	8.0
61.98829	63.5
69.03436	3.2
69.64253	17.4
71.01353	5.0
78.95896	7.2
101.02412	4.8
116.92833	7.9
117.92923	3.4
120.50140	2.5
125.09732	3.8
129.69722	3.2
152.99557	8.0
179.10719	5.2
197.11829	85.2
202.05795	3.2
241.10806	4.3
249.18549	17.9
253.09209	6.1
266.90070	2.9
267.23376	2.8
277.21854	6.3
290.64407	2.6
378.98145	2.7
542.97363	2.8
698.97455	2.9
709.38074	100.0
710.38367	23.3
754.06140	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	772.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	17.4
59.01374	4.9
59.88414	1.3
61.98824	3.5
66.03473	3.2
69.20896	12.4
71.01373	4.9
74.02476	37.3
81.04573	2.7
82.02984	4.2
84.04546	3.0
85.02945	3.6
86.02486	12.9
86.06140	2.4
87.05637	6.6
88.04062	1.9
89.02414	1.2
90.63558	1.1
95.02545	1.6
96.02727	1.3
96.04481	1.3
96.96012	2.2
97.04072	4.9
99.05025	2.6
99.05644	31.4
101.02435	2.1
101.07201	6.2
102.05611	4.4
107.06149	2.6
108.04528	1.7
109.04073	7.9
109.07701	1.5
111.00929	2.6
111.05645	2.9
112.04051	3.4
113.02450	2.6
113.03623	1.2
123.05656	3.6
124.04066	2.7
125.03551	4.7
126.02016	1.3
127.05119	6.5
128.03542	81.6
129.01920	1.7
129.03865	1.6
135.05634	11.2
137.07199	1.4
139.05148	1.4
141.06702	4.0
143.04625	100.0
144.04999	2.7
145.06197	3.7
146.04596	10.4
149.07187	1.9
153.06697	10.5
160.00737	11.0
166.09822	5.5
167.04674	6.2
167.08279	5.9
171.04050	1.6
177.03391	6.6
179.04622	24.6
180.07787	1.6
181.06139	3.3
184.10934	1.4
185.05759	1.7
192.07820	2.5
197.05676	4.3
210.08873	19.6
242.07806	1.4
254.07805	37.0
255.08176	1.8
272.08868	71.3
273.09155	4.9
288.06525	9.5
306.07651	69.4
307.07819	5.8
465.28439	1.9
643.32971	3.9
754.36139	10.5
755.36688	3.7
772.36969	80.6
773.37115	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53042	0.6
59.01380	16.2
61.98828	7.0
71.01387	2.7
71.54370	0.9
73.02946	0.7
78.95893	1.9
85.02958	0.6
87.00880	0.9
89.02456	1.7
96.75462	0.7
101.02461	1.5
102.99815	0.7
113.02460	0.9
120.55541	0.7
128.82983	0.6
161.04616	0.8
171.10347	0.8
179.05692	0.6
183.13882	5.1
193.12321	1.7
211.13390	100.0
212.13751	7.1
235.08289	1.7
249.18591	46.8
250.18956	3.8
253.09325	4.4
255.23283	0.7
277.21753	2.9
429.21405	1.3
447.22366	9.9
448.22345	0.8
519.34918	0.8
586.93213	0.7
591.00482	0.8
617.70288	0.7
679.40985	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	771.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.4
55.25570	1.2
57.03441	4.6
59.01381	70.0
61.98831	9.1
68.99812	14.7
69.03454	3.0
71.01385	42.4
71.05016	4.1
71.51816	3.5
72.99301	3.4
73.02945	13.0
75.00871	2.7
78.95890	1.7
81.03442	1.6
83.01377	5.4
83.04987	2.1
85.02952	19.2
87.00858	4.1
89.02450	19.4
95.01392	5.4
96.96009	3.7
96.99270	1.9
97.02945	6.1
97.06588	4.3
99.00878	47.2
101.02443	22.2
102.78838	1.3
113.02452	24.3
113.09720	8.9
119.03476	5.7
122.97559	2.2
123.08154	2.5
125.02405	1.9
125.09756	7.8
129.01953	2.3
143.03479	2.2
153.12730	1.6
159.02946	1.9
159.10269	87.5
160.10666	3.4
161.04550	5.3
161.09720	1.7
163.11275	12.7
171.10260	3.2
181.12323	24.8
197.11810	9.5
199.13408	13.7
207.10263	29.4
209.11705	2.6
211.13396	1.5
225.11304	45.6
226.11551	2.6
243.12355	24.9
244.12550	1.9
253.09196	2.0
255.02989	3.2
283.02530	4.3
284.03201	3.3
285.03912	3.2
309.20660	4.6
449.07846	2.3
461.20291	4.7
467.30109	4.9
479.21283	9.5
586.16272	1.6
609.14874	4.1
610.14551	2.0
611.34283	86.9
612.34662	19.8
629.35425	58.9
630.35876	16.9
631.36053	4.2
671.36658	12.3
672.37317	2.3
753.40631	1.9
771.41663	100.0
772.42157	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63871	0.4
59.01380	2.2
59.20966	0.4
68.99823	0.8
69.36386	2.6
71.01381	16.5
73.02940	0.7
83.01363	0.5
85.02945	1.3
89.02428	0.9
96.99313	100.0
97.99662	2.4
98.19901	0.7
98.20536	1.1
99.00866	0.8
101.02441	1.1
113.02460	0.8
115.00368	9.3
119.03521	0.4
126.35244	0.4
129.01884	0.4
139.91106	0.4
140.98303	22.2
141.01984	0.6
141.98640	0.4
175.70792	0.3
221.28841	0.3
467.30212	0.9
554.26849	0.4
611.34564	0.8
629.35339	5.6
630.35931	1.3
727.35425	10.7
728.35895	2.9
791.11218	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.9
57.87736	0.8
59.01379	11.1
59.90317	0.7
61.98818	1.0
70.04945	3.5
71.01380	100.0
72.01701	1.5
73.02940	2.2
79.65875	0.8
83.01401	1.2
85.02948	6.0
89.02439	4.1
95.01373	1.0
96.99310	32.1
97.02969	1.7
97.99595	1.0
98.20665	0.8
99.00874	1.7
99.57094	0.7
101.02439	6.9
113.02459	4.9
115.00367	24.3
123.51498	0.8
129.01979	1.2
140.98294	7.3
142.81168	0.8
143.03468	1.3
287.22330	1.2
350.14993	0.8
389.14523	0.9
467.29669	1.3
511.29984	1.0
611.34265	2.9
629.35626	11.5
630.35858	2.2
718.45319	0.9
727.35425	80.3
728.35724	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	771.1989
Annotation	Sorboside
Peak:m/z	Relative Intensity
61.98828	3.4
62.17916	0.4
63.02418	0.4
65.00325	0.8
71.52955	0.6
73.65071	0.4
83.01381	0.5
93.03459	0.6
107.01420	1.2
117.03499	1.0
134.08682	0.4
135.00879	0.6
137.00383	0.4
146.96545	0.6
151.00352	3.7
159.04489	0.9
162.93991	1.0
163.00320	0.8
178.99893	0.9
182.03717	0.5
183.04539	2.9
185.06129	0.9
186.68077	0.4
187.03995	0.6
189.05626	0.5
199.03990	0.5
211.03990	2.3
213.05580	1.1
227.03496	13.8
228.03883	1.7
229.04987	1.9
239.03508	0.9
241.05107	0.7
255.02983	50.0
256.03442	5.2
257.04541	3.0
281.04599	1.1
283.02475	64.3
284.03214	47.2
285.04004	47.4
286.04355	3.7
326.04166	0.8
327.04874	0.8
339.04929	0.6
351.05090	0.5
353.12753	0.5
429.08170	1.5
446.08417	6.4
447.09213	2.7
609.14563	100.0
610.14905	17.2
651.15509	1.1
758.36407	0.5
771.20123	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	771.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43851	0.6
63.02386	1.4
64.26386	0.7
71.22203	1.1
93.03459	0.9
94.48000	0.6
97.66642	0.6
107.01383	1.6
117.03445	0.8
142.56694	0.7
149.58575	0.7
151.00391	5.0
155.05022	0.7
158.55374	0.7
159.04590	0.8
178.99841	1.7
183.04567	3.9
211.03996	3.4
213.05606	0.9
227.03491	16.6
228.03987	1.0
229.04941	0.9
232.70361	0.6
246.07912	0.7
255.02985	66.3
256.03439	7.5
257.04575	1.2
264.04797	0.7
283.02475	76.6
284.03214	56.6
285.03973	36.1
286.04413	3.2
429.08279	1.2
442.30908	0.7
446.08493	8.4
447.09033	1.7
546.27582	0.7
609.14575	100.0
610.14825	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	771.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.56555	0.6
63.02393	1.1
65.00363	0.9
71.22220	1.1
75.49244	0.8
83.01347	0.8
85.29285	0.7
93.03471	1.2
95.52398	0.8
107.01385	2.1
151.00366	3.9
154.90198	0.7
163.00340	0.9
167.60783	0.7
182.03618	0.8
183.04495	3.0
193.80287	0.8
199.04002	1.2
211.03990	2.6
227.03484	16.4
228.03868	1.2
229.05038	2.2
239.03520	0.9
255.02980	55.6
256.03482	6.0
257.04501	3.1
283.02472	88.5
284.03207	59.4
285.04025	66.7
286.04391	4.8
297.03940	1.0
326.04147	1.2
327.05029	1.0
371.02933	0.7
429.07953	1.5
430.37274	0.8
446.08582	9.8
447.08884	3.7
609.14569	100.0
610.14917	20.9
651.15918	1.2
771.20544	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	770.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00605	1.6
58.74755	0.7
59.01378	34.5
62.64515	0.9
69.48558	0.8
71.01380	19.8
72.99318	1.1
74.65278	0.8
74.89624	0.8
83.01402	1.3
85.02948	5.1
85.33517	0.9
89.02441	23.7
101.02435	15.5
113.02454	9.5
117.03464	1.3
119.03504	9.5
145.06296	1.2
151.00371	4.2
157.51620	0.9
161.08084	0.9
178.99942	1.3
179.05602	1.1
183.04590	1.1
191.05679	1.5
211.04073	2.0
227.03481	9.6
228.99544	1.0
229.05116	1.0
239.03589	1.1
255.02972	42.6
256.03723	1.6
257.04510	1.4
283.02481	59.0
284.03259	37.1
284.06421	1.2
285.04037	39.4
299.01794	1.7
323.13458	97.7
324.13751	8.3
326.04373	1.4
327.05161	1.0
446.08438	4.7
447.09430	2.4
454.45395	0.9
530.94861	1.1
609.14575	100.0
651.15509	1.3
771.19507	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	769.402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.2
58.86171	0.9
59.01381	26.2
59.62479	0.9
61.98822	5.6
69.03451	6.1
70.05218	3.1
71.01373	5.1
71.05011	1.2
73.02944	1.8
75.94728	0.8
78.43034	0.7
83.04997	1.6
85.02951	1.7
87.00894	1.0
89.02438	3.3
93.07122	0.9
95.01385	1.0
97.02951	1.4
98.20044	1.5
101.02443	5.7
111.08135	4.7
113.02445	3.1
119.03520	1.5
123.08193	1.6
125.09679	3.6
151.11256	2.3
153.12885	2.4
157.08702	10.1
161.04568	1.6
161.09683	3.3
169.12355	2.8
171.10289	1.3
178.05849	0.9
179.10768	6.6
180.94376	0.9
197.11826	81.7
198.12169	5.0
199.13457	1.2
209.15564	1.0
211.13348	2.0
223.09802	2.2
225.11226	1.2
241.10835	3.4
247.20462	1.0
253.09229	3.6
257.31042	0.9
291.19604	4.5
309.20612	5.7
459.18710	1.7
477.19922	2.5
611.34485	3.6
629.35529	2.4
769.40149	100.0
770.40442	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41125	0.5
58.02977	7.5
59.01379	2.8
60.57244	0.5
61.98830	1.1
64.00385	0.5
69.45301	1.3
69.45719	3.1
70.02981	7.7
71.01370	1.4
71.05019	0.6
72.00903	2.6
72.04552	1.7
74.02474	46.9
75.02814	0.6
78.85824	0.5
88.98817	2.4
89.02444	1.0
92.00570	0.5
96.96004	2.3
97.02947	1.3
98.02472	11.8
99.00877	5.0
101.02425	1.3
116.03551	10.9
116.05062	18.0
117.05399	0.9
125.09711	0.6
129.01884	0.5
130.06622	1.5
141.38707	0.5
142.06627	3.9
144.46341	0.6
153.12860	0.5
159.09265	5.4
163.11266	2.2
181.12376	5.0
183.09245	1.3
186.05537	0.8
191.05573	1.7
199.13390	3.5
201.10268	3.8
203.08257	48.0
204.08687	2.9
206.93652	0.6
207.10269	6.5
208.10686	0.7
225.11319	13.9
226.11598	0.9
243.12355	9.7
244.12656	0.9
245.09297	100.0
246.09613	9.0
253.09294	1.0
253.16573	0.5
479.21329	63.5
480.21634	9.1
513.28455	0.6
523.68140	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02324	0.6
59.01363	2.8
61.98827	5.0
63.96238	1.7
65.60151	0.6
69.03433	1.0
69.15436	3.3
69.15848	2.1
71.00996	1.1
71.01375	10.5
72.99300	0.6
73.02942	2.1
75.00868	0.8
75.48977	0.5
78.98593	6.9
79.95731	16.8
80.96512	86.6
81.03431	0.6
85.02517	0.5
85.02927	2.8
87.00887	3.4
88.98799	2.0
89.02464	0.9
94.98082	17.3
95.01373	0.6
96.96018	1.6
97.02952	2.4
99.00885	2.1
101.02425	4.4
105.01945	1.7
106.98057	4.4
122.97585	4.8
125.02445	4.5
125.09756	0.8
127.03994	1.5
133.17482	0.6
134.97574	6.5
136.99120	1.8
140.34964	0.5
148.99139	8.1
152.98625	8.0
155.90390	0.6
161.04570	1.0
163.11296	0.8
164.98610	19.8
181.12308	1.4
188.98639	0.6
191.05627	0.9
206.99683	3.8
207.10222	2.3
225.00719	31.6
225.11253	3.7
243.12257	2.4
357.86844	0.6
397.78729	0.7
509.69431	0.7
525.16541	2.8
769.29492	100.0
770.29791	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	767.492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.4
60.99306	15.9
69.43439	1.4
71.01380	0.2
77.24541	0.2
87.00890	1.3
88.00407	2.4
88.04030	0.3
88.98806	100.0
89.02444	8.0
89.03011	0.3
89.99139	1.2
105.01942	0.2
106.71893	0.2
125.97433	0.2
205.27235	0.2
218.01009	0.2
291.18549	0.2
330.86996	0.2
503.34467	0.3
552.06622	0.2
677.49677	1.2
678.49683	0.7
701.11664	0.2
783.27979	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	23.1
61.98830	7.2
71.01383	37.0
71.05021	1.6
73.02917	2.4
75.24802	1.6
77.24783	1.7
80.96532	2.6
87.00882	6.9
88.00412	2.3
89.02429	6.6
98.20656	4.7
99.00854	3.6
101.02458	7.3
104.92691	1.5
106.70673	1.8
109.06583	7.8
113.02441	4.2
119.03523	2.1
125.06113	1.8
125.09723	5.0
127.11275	3.6
132.67746	1.8
137.09743	2.9
155.10823	4.1
161.04529	3.0
163.11243	5.2
165.09299	2.5
171.10268	47.8
172.10583	2.5
181.08728	5.3
181.12325	4.9
199.09756	39.6
199.13387	7.2
200.10091	2.1
201.11314	77.1
202.11646	3.7
204.08554	1.9
207.10265	30.4
208.10573	2.2
209.11792	3.6
209.15347	2.6
215.12903	2.2
217.14238	2.8
225.11317	42.0
226.11633	2.5
228.99892	1.8
235.13498	2.1
243.12317	5.4
249.18584	100.0
250.19038	8.6
253.09288	21.5
329.86838	1.7
398.81815	2.1
407.18884	2.1
413.26868	2.5
435.18506	10.4
443.19202	3.4
461.20319	19.5
462.20651	2.1
471.22757	1.9
479.21301	6.0
497.22034	1.9
595.03973	1.9
667.37012	7.8
693.38721	10.4
711.38837	10.8
729.40839	16.6
730.41284	6.3
765.40051	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	765.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	25.6
61.98830	44.5
64.15739	1.7
71.01379	34.1
72.46317	1.7
73.02940	3.6
78.95911	3.7
85.03001	1.8
85.41683	1.3
86.44031	1.5
88.98788	2.1
89.02465	5.5
93.71065	1.7
95.36548	1.5
97.02934	2.0
99.00877	4.6
101.02448	5.6
109.06591	5.3
110.89915	2.6
113.02427	6.3
119.03404	2.1
125.09742	4.5
127.11296	4.8
133.55598	1.6
137.09769	1.7
138.03491	1.4
150.32492	1.7
152.99677	1.6
153.09286	1.7
155.10796	3.2
161.04518	2.4
163.11302	4.1
163.26863	1.5
165.84480	1.5
171.10278	45.1
172.10567	2.0
179.05629	2.4
179.93959	1.4
181.08768	3.3
181.12305	7.4
199.09741	29.8
199.13408	9.7
201.11313	100.0
202.11633	5.8
207.10266	27.6
207.12132	1.6
217.14484	2.1
218.31888	1.6
225.11307	39.0
226.11653	2.4
235.08087	3.7
243.12418	10.0
249.18590	91.1
250.18956	10.5
253.09253	20.7
261.13443	1.8
277.21646	1.7
417.17783	2.3
427.06290	1.6
435.19092	7.3
437.20071	2.3
443.19531	2.1
461.20172	13.4
462.20581	1.7
479.21085	4.9
485.27591	2.0
497.22531	3.0
614.85394	1.7
667.37042	6.0
668.36676	1.8
693.38599	6.8
694.38428	3.4
711.39850	19.9
712.40070	5.7
729.40680	26.6
730.41052	8.1
765.20178	5.0
765.40387	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	765.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.5
57.37350	2.2
58.00578	4.3
59.01378	100.0
61.98830	18.5
66.48139	1.9
69.03436	2.8
71.01382	71.5
71.54349	2.4
72.99300	8.7
73.02939	16.4
75.00876	3.0
79.48946	1.8
83.01374	5.5
85.02950	19.7
87.00890	10.5
88.98801	3.5
89.02449	44.9
93.03469	2.0
95.01383	7.0
95.48585	1.7
96.96019	3.8
99.00860	5.4
101.02440	45.8
103.00369	2.8
105.01940	3.0
109.06612	8.7
111.00861	4.3
113.01707	3.4
113.02451	37.6
119.03503	21.4
129.02023	2.1
131.03458	3.3
136.01591	2.4
141.01970	2.9
143.03479	8.4
149.04584	3.8
155.10707	2.1
161.04546	13.8
175.04895	1.8
179.05606	14.3
182.05267	2.2
191.05597	4.9
196.49977	1.8
296.38034	1.8
299.18790	4.2
324.85834	1.8
343.21225	3.4
405.21078	4.7
499.28549	3.0
636.33740	1.9
661.34351	9.2
679.35590	12.9
680.36389	4.4
721.36499	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	765.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46315	0.2
59.01365	0.7
60.99306	19.3
61.98826	0.8
69.60355	0.9
69.60780	0.7
71.01371	0.8
87.00882	2.3
88.00397	5.0
88.01215	0.3
88.98805	100.0
89.02441	19.6
89.99163	1.4
98.20660	0.3
150.06749	0.3
165.04506	0.3
170.22899	0.3
187.40347	0.3
216.24931	0.3
235.61148	0.2
277.21646	1.1
397.13528	1.1
407.75641	0.3
415.14227	0.5
736.57922	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.7
56.25105	2.2
57.03434	1.8
58.00589	5.8
59.01378	100.0
61.98843	1.8
70.25981	3.8
70.26357	3.7
71.01382	63.0
72.99319	4.9
73.02941	18.2
80.58703	2.0
82.26814	1.8
83.01373	8.0
85.02953	19.4
87.00862	5.7
89.02444	42.1
89.02949	3.8
91.04285	2.2
95.01375	7.6
97.02932	2.5
98.15908	2.1
99.81008	2.0
101.02441	32.2
101.81702	1.8
113.02451	30.5
119.03511	15.2
125.02438	2.6
132.19609	1.9
135.91969	1.8
143.03481	4.5
149.04539	2.7
153.09216	2.5
161.04553	6.9
179.05582	7.4
191.05576	3.0
201.05200	1.9
499.29108	9.6
517.30011	5.4
560.83386	2.2
661.34338	82.8
662.34546	16.3
679.35394	53.4
680.35437	11.2
721.36328	18.5
722.36829	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	765.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.7
60.99310	17.7
61.98833	1.0
71.01374	0.7
87.00854	1.4
88.00401	3.6
88.01225	0.3
88.98809	100.0
89.02448	12.9
89.99150	1.0
171.10310	2.5
207.10268	0.5
225.11349	0.8
249.18590	2.0
253.09265	0.4
277.21759	0.8
397.13528	1.4
415.14539	0.5
564.44336	0.3
593.99939	0.4
636.09381	0.3
693.38239	0.5
765.37531	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.7
61.98822	2.9
68.99551	0.3
71.01366	0.8
73.02944	13.2
75.00883	0.3
89.02435	0.4
98.19997	0.8
98.20686	0.4
99.00880	2.6
99.92581	10.8
100.92582	0.5
101.02463	0.4
113.02477	0.2
114.93430	0.6
115.00346	0.5
116.92857	100.0
117.01936	25.1
117.02865	0.2
117.92863	6.0
118.02251	0.4
118.73163	0.2
119.03477	0.3
135.04524	0.2
263.96490	0.3
351.07489	0.2
647.36450	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	764.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23623	0.7
59.01385	14.1
59.93477	0.7
61.98832	7.2
66.09740	0.7
70.15331	0.9
70.15684	2.4
71.01389	11.6
73.02942	1.5
83.01405	0.8
85.02933	3.7
86.02507	0.7
87.00875	1.0
88.98804	0.9
89.02445	5.0
95.01381	0.8
96.96004	1.8
99.00878	1.4
101.02457	4.5
103.00386	1.0
113.02459	3.2
119.03514	1.9
120.01255	100.0
121.01614	2.1
139.45273	0.7
179.05620	1.1
306.65402	0.8
319.00717	0.7
334.63754	0.8
380.53085	0.7
481.28000	1.2
600.23096	0.8
643.33362	33.3
644.33716	6.4
764.35297	34.9
765.35736	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	763.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	11.2
61.98829	100.0
71.01402	11.5
74.49267	7.4
75.00865	13.5
78.95910	12.7
84.49392	6.4
91.55040	7.4
105.01929	22.4
118.96704	6.6
183.01219	8.6
194.85686	6.4
209.11781	49.5
229.13495	7.1
234.86807	8.0
249.18587	34.8
294.45685	8.0
311.16888	54.8
763.39899	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	764.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.5
57.81583	0.5
58.00594	0.5
59.01379	14.4
61.98816	1.6
69.63028	1.5
69.63459	1.9
71.01379	10.2
72.43065	0.5
72.99303	0.6
73.02957	1.0
83.01391	1.1
85.02948	2.7
86.02486	1.1
87.00878	5.9
89.02444	6.5
95.01381	0.6
99.00868	0.7
101.02431	4.6
113.02421	3.9
119.03484	3.7
120.01247	100.0
121.01602	1.8
143.03496	0.7
161.04610	0.7
179.05602	0.9
281.44128	0.5
415.96646	0.7
457.17465	0.5
481.28085	2.1
643.33270	41.4
644.33704	8.8
764.35291	28.9
764.49457	1.1
765.35638	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	763.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	10.2
61.98843	23.1
71.01363	14.1
71.01763	6.2
78.93604	3.9
78.95905	6.3
85.02945	5.9
89.02431	8.2
101.02393	7.4
101.47115	3.6
113.02453	6.5
115.07654	29.0
295.68796	3.9
547.31757	5.0
611.34351	100.0
612.34686	24.3
629.35266	43.4
630.35547	7.9
727.42804	30.5
728.43140	9.9
763.40350	18.3
764.40594	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	763.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28422	0.7
61.98827	3.1
63.96227	1.7
70.65318	2.6
71.01378	8.0
72.14703	0.7
73.02937	1.8
78.95921	1.1
78.98598	6.5
79.95744	15.2
80.96519	75.8
81.79809	0.8
85.02948	2.4
87.00864	3.4
94.98087	18.2
96.95999	1.5
97.02945	2.2
101.02442	2.7
106.98085	3.5
122.97560	2.9
125.02438	2.8
127.04008	1.1
134.97566	5.8
147.29048	0.8
148.99136	6.6
152.98615	6.0
159.86401	0.9
164.97302	1.4
164.98619	13.8
206.99704	2.4
207.10297	1.3
220.92685	0.7
225.00757	20.8
225.02997	1.2
225.11301	1.4
230.18120	0.8
248.77657	0.8
255.23303	1.1
475.52173	0.9
507.15509	1.0
537.27124	1.3
546.77216	0.9
655.73566	1.0
741.67505	0.9
763.39417	100.0
764.39716	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.6
61.98820	0.5
71.01382	1.4
71.07075	0.5
73.02946	16.9
74.03293	0.3
75.00879	0.5
85.02950	0.4
87.00869	0.3
89.02463	1.0
99.00883	2.9
99.92583	11.2
100.92589	0.6
101.02458	0.7
103.00439	0.2
113.02431	0.5
114.93432	0.5
115.00417	0.3
116.92864	100.0
117.01941	30.9
117.92871	5.7
118.02270	0.4
119.03508	0.4
179.05624	0.3
185.70126	0.2
296.21432	0.2
380.10248	0.2
491.93909	0.2
513.11975	0.2
645.34796	2.9
646.35443	0.7
647.35187	0.2
763.39392	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
59.01376	2.7
60.68717	0.2
61.98835	0.6
70.87900	0.2
71.01387	2.0
72.64003	0.2
72.99317	0.3
73.02946	28.3
74.03271	0.3
75.00846	0.5
83.01373	0.3
85.02936	0.6
89.02444	1.0
98.20616	0.5
99.00881	4.8
99.92583	11.2
100.92602	0.7
101.02439	0.8
113.02455	0.7
114.93446	0.3
115.00378	0.5
116.77000	0.3
116.92860	100.0
117.01938	51.9
117.92874	6.3
118.02316	1.3
119.03523	0.7
120.01296	0.3
162.26772	0.3
186.65469	0.3
255.17854	0.2
449.22455	0.3
465.80734	0.3
631.65424	0.3
645.34918	3.1
646.35010	1.1
763.36554	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.8
57.27608	1.6
58.00593	3.8
59.01377	100.0
60.01722	2.3
61.98826	29.5
67.05621	1.9
71.01379	73.9
71.53316	2.0
72.01726	2.3
72.99300	6.3
73.02941	14.1
75.00868	3.0
83.01396	7.3
85.02951	21.0
87.00873	6.5
89.02438	54.5
95.01379	6.0
96.96015	6.3
97.02946	2.3
99.00898	6.9
101.02438	40.1
111.00871	3.6
113.02444	44.4
116.92866	4.0
119.03492	25.6
121.14737	2.2
125.02485	2.3
127.07858	2.1
129.01883	3.8
131.03546	3.8
139.61351	2.0
143.03494	6.7
149.04498	3.4
161.04556	11.5
173.04521	4.2
179.05644	9.6
191.05649	4.4
271.78961	2.0
403.19672	2.7
413.93518	1.9
497.28055	3.1
557.29779	2.4
574.87518	2.0
603.82782	2.3
641.32141	3.2
659.32739	15.5
660.32825	4.8
677.33649	7.0
703.31378	4.0
719.35077	5.3
763.33813	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	763.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00575	0.6
59.01382	39.2
61.98833	0.8
69.40502	3.2
69.40903	1.1
69.89297	0.6
71.01385	10.3
72.99302	1.2
83.01395	0.7
85.02943	2.2
89.02449	8.3
95.01357	0.9
96.95982	1.1
101.02442	7.0
113.02452	3.5
119.03486	3.9
127.58017	0.5
137.02466	0.5
159.10991	0.6
163.11346	4.0
191.05646	1.0
194.12442	0.6
207.10252	7.3
209.11838	0.6
255.08725	0.7
387.16592	100.0
388.16962	10.8
664.77136	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.2
57.03433	0.3
59.01372	1.8
70.27637	0.6
70.45738	0.2
71.01378	1.6
73.02943	18.0
75.00882	0.2
83.01397	0.2
85.02946	0.5
87.00881	0.2
89.02447	0.9
96.95973	0.2
99.00879	3.3
99.92579	10.4
100.92606	0.5
101.02444	0.8
103.00358	0.3
113.02441	0.5
114.93419	0.4
116.92858	100.0
117.01935	33.4
117.92858	5.5
118.02283	0.6
119.03462	0.4
133.17363	0.2
179.05641	0.3
237.44389	0.2
276.55106	0.2
362.90155	0.2
425.60297	0.2
483.29654	0.3
499.37128	0.2
555.88000	0.2
645.34973	2.3
646.34967	0.5
718.72943	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.3
61.98837	2.6
71.01384	3.6
71.54075	0.4
72.99312	0.4
73.02945	18.8
75.00886	0.4
78.95828	0.4
85.02949	1.1
85.84739	0.3
87.00891	0.6
89.02446	1.6
96.95988	0.7
98.95614	1.1
99.00883	3.4
99.92583	10.2
100.92582	0.7
100.93316	0.3
101.02456	2.7
113.02429	1.3
114.93452	0.3
115.00284	0.4
116.92860	100.0
117.01938	32.2
117.92863	5.6
118.02272	0.5
119.03533	0.8
119.51179	0.3
120.01234	0.5
133.86136	0.3
139.88904	0.3
156.94333	0.3
173.04607	0.4
191.05618	0.6
282.64185	0.3
301.20154	0.7
412.02383	0.4
481.28098	0.5
602.30145	0.4
645.34808	2.2
646.35394	0.6
735.61383	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21765	0.2
57.03447	0.2
59.01383	2.2
61.23715	0.2
61.98827	0.8
68.99571	0.3
71.01379	2.4
71.52751	0.2
72.99306	0.4
73.02949	17.3
75.00858	0.5
79.11989	0.2
83.01382	0.2
85.02951	0.9
87.00912	0.4
89.02442	1.1
99.00886	3.4
99.92589	11.1
100.92592	0.8
101.02451	1.2
113.02453	0.9
114.93446	0.4
115.00394	0.4
116.92871	100.0
116.97255	0.6
117.01949	29.1
117.92873	5.2
118.02296	0.5
119.03499	0.4
120.01298	0.5
131.03531	0.3
145.35551	0.2
179.05669	0.2
202.09161	0.2
207.43600	0.2
363.02075	0.2
481.27997	0.4
485.20026	0.5
550.93347	0.2
645.34827	2.9
646.35376	0.7
647.35406	0.3
745.33368	0.3
763.34216	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.3
57.03446	0.4
59.01380	4.2
61.98829	1.3
69.95827	0.2
71.01385	3.7
72.99299	0.8
73.02946	21.2
74.04799	0.2
75.00881	1.4
85.02956	2.1
87.00880	0.9
89.02441	1.7
90.12025	0.2
95.01387	0.6
98.20698	0.5
99.00878	3.9
99.04500	0.6
99.92583	10.4
100.92583	0.6
101.02440	1.2
103.00346	0.3
113.02446	3.6
114.93443	0.3
115.00377	0.6
116.92860	100.0
117.01937	36.5
117.92872	6.0
118.02282	0.8
119.03511	0.6
120.01296	0.6
129.01881	0.3
144.95236	0.3
151.18504	0.2
161.04564	0.3
175.02431	0.3
209.08972	0.3
215.39925	0.3
221.07301	0.2
229.33907	0.4
235.13397	0.7
249.06165	0.6
267.07184	0.6
348.10703	0.3
458.09470	0.3
481.28162	0.8
485.20166	1.7
495.25723	0.6
602.30206	0.3
645.35083	2.4
646.35205	0.6
745.33185	2.5
763.34100	1.3
764.34290	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.4
57.03447	2.1
58.00571	2.3
59.01379	55.5
60.01717	1.2
61.98822	4.7
64.61171	1.0
69.03449	1.5
71.01385	48.3
72.99304	2.9
73.02951	11.0
75.00851	1.4
83.01383	6.1
85.02951	18.5
87.00879	2.5
89.02446	25.1
94.42102	1.2
95.01382	2.7
97.02950	2.4
99.00862	10.8
101.02444	27.5
111.00885	1.4
113.02463	11.5
119.03484	5.8
125.02386	2.3
129.01944	3.1
131.03488	4.1
143.03511	2.8
149.04532	3.6
161.04570	3.1
191.05525	1.9
206.07027	1.1
237.11050	1.1
277.50931	1.0
293.08875	1.1
305.48422	1.1
467.30185	5.1
599.33881	6.1
600.34900	1.5
629.35419	27.6
630.35773	6.3
761.39606	100.0
762.39972	23.2
763.27148	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	761.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.8
57.03447	1.6
58.00593	1.8
59.01379	21.5
61.98823	1.3
64.08554	0.5
71.01379	21.7
71.19157	0.6
72.99319	1.7
73.02946	46.4
73.32683	0.5
74.03312	0.7
80.25938	0.5
83.01395	2.9
85.02949	10.2
87.00906	1.0
87.04519	0.8
89.02443	10.4
95.01388	2.3
98.19893	0.9
99.00881	9.2
99.92573	10.9
101.02437	9.4
111.00879	1.7
113.02441	8.5
114.93442	0.7
115.00493	0.5
116.92860	100.0
117.01939	76.9
117.92881	5.7
118.02289	1.8
119.03477	2.9
125.02428	0.6
129.01935	2.2
131.03528	1.7
141.01936	0.8
161.04552	1.5
467.30035	1.8
481.28073	7.7
482.28314	1.5
518.85126	0.6
599.34357	1.1
611.34167	0.9
629.35413	20.0
630.36047	4.6
631.35968	1.0
695.05121	0.6
702.17493	0.7
761.39594	37.2
762.40070	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	761.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
57.03433	0.9
58.00591	0.6
59.01378	12.0
61.98838	1.8
68.99582	0.7
71.01384	13.9
71.29694	0.5
71.30023	0.4
71.37748	0.4
72.30814	0.4
72.58367	0.4
72.99323	1.1
73.02947	55.7
73.19916	0.4
74.03302	0.6
83.01386	1.4
85.02954	5.9
87.00878	1.2
87.36845	0.4
89.02441	6.7
90.86749	0.4
95.01408	1.6
99.00879	10.4
99.92588	9.1
100.92599	0.7
101.02436	6.9
111.00881	0.5
112.98555	0.9
113.02440	5.9
114.93368	0.4
116.03521	0.5
116.92862	95.5
117.01941	100.0
117.92870	5.8
118.02286	2.6
119.03509	1.5
131.03477	0.5
151.93774	0.4
161.04575	0.8
169.44789	0.4
185.51122	0.4
222.63855	0.5
243.17041	0.4
303.23386	0.5
458.01364	0.4
463.43958	0.4
467.30182	1.5
481.28101	8.8
482.28433	1.2
599.34259	0.7
611.34808	0.8
629.35388	9.8
629.45160	0.7
630.36035	2.8
631.35901	1.7
729.36078	0.4
761.39606	18.7
762.40070	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	761.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.9
61.98833	0.8
68.99571	89.5
69.03450	0.4
69.99911	0.4
71.01385	0.7
74.45676	0.3
85.02952	0.2
89.02425	0.7
98.19915	0.5
98.20609	0.9
99.00838	0.2
103.89746	0.3
112.98566	100.0
113.02464	0.9
113.98892	1.3
190.61159	0.2
198.17169	0.2
205.39862	0.3
240.48872	0.3
350.93271	0.3
647.36304	1.0
671.31866	0.3
761.39606	1.1
762.39899	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60807	0.4
58.02970	6.0
59.01367	0.8
66.03468	0.6
68.99571	3.5
71.01378	0.8
72.00892	0.7
74.02467	13.8
81.04569	0.8
82.02979	2.0
84.04565	0.4
86.02480	4.8
86.06091	0.8
86.50369	0.5
86.99091	1.0
87.05627	2.4
90.00198	1.1
96.04578	0.5
97.04068	1.6
98.20686	1.1
99.05035	1.0
99.05643	11.9
101.07197	2.0
102.05589	2.1
103.28115	0.5
109.04111	2.3
109.07690	0.9
111.05640	1.0
112.04063	2.3
112.98565	4.2
116.01756	1.2
123.05643	1.2
124.04050	0.7
125.03546	1.4
127.05154	2.3
128.03539	32.8
129.03893	1.0
135.05676	3.6
137.07214	1.2
141.06689	2.1
143.04617	46.2
144.04924	1.0
145.06189	2.0
146.04620	3.2
149.07159	0.5
153.06696	3.5
155.08325	0.6
160.00739	11.5
166.09871	2.4
167.04568	3.5
167.08209	2.5
170.03322	1.3
171.04144	0.7
177.03365	4.3
178.03674	0.5
179.04605	9.5
181.06177	1.3
184.10938	0.5
185.05678	1.1
192.07732	1.2
197.05647	1.4
209.48578	0.5
210.08821	9.5
211.09193	0.8
213.03288	0.7
228.09752	0.5
242.07903	1.0
254.07803	14.7
255.08087	1.1
257.73410	0.5
272.08865	29.4
273.09225	1.7
288.06580	8.6
306.07639	100.0
307.07956	7.8
369.21136	0.5
504.88544	0.4
551.33923	0.5
555.93213	0.5
760.34839	14.5
761.34998	3.8
762.31885	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	5.8
59.01371	3.7
61.98822	2.7
66.03479	0.8
68.99574	77.8
69.99901	2.8
71.01385	5.1
71.53368	1.1
72.00894	1.0
72.83627	0.8
73.02937	5.4
74.02475	11.7
78.95903	4.3
79.95742	2.0
82.02984	1.3
83.02547	0.6
85.02956	0.9
86.02481	4.9
86.06135	0.8
86.99102	1.3
87.05630	2.4
89.02425	2.0
96.96013	59.6
96.96920	6.9
97.04068	2.3
97.95933	1.3
98.02409	0.8
98.95582	4.7
98.96300	0.8
99.00861	1.8
99.05642	14.1
99.92579	2.7
101.02423	1.4
101.07229	2.0
102.05614	2.0
109.04067	2.0
111.05650	0.8
112.04031	1.3
112.98568	73.8
113.02405	0.7
113.03519	0.7
113.98912	4.8
114.93402	5.0
115.00359	3.0
116.92873	19.7
117.01942	10.5
123.05696	0.7
125.03588	1.1
127.05135	2.7
128.03540	30.7
135.05638	3.4
137.07155	0.9
141.06688	2.7
143.04617	38.0
144.04953	1.1
145.06213	1.8
146.04596	4.0
153.06668	2.1
160.00737	10.6
166.09850	1.7
167.04619	3.0
167.08231	2.3
171.07739	0.9
177.03398	5.3
179.04591	10.2
180.04877	1.0
184.10825	0.8
185.05676	2.5
191.05716	0.8
192.07753	1.5
197.05659	1.9
197.71413	0.7
197.74023	0.7
207.17635	0.7
210.08853	8.3
211.09106	0.9
254.07829	10.3
272.08887	20.8
273.09192	1.0
288.06577	7.2
306.07651	100.0
307.07971	7.0
513.27014	4.4
555.27686	0.9
645.34698	2.5
742.36603	0.9
760.35028	8.7
761.36383	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	759.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	23.8
61.98829	12.9
64.61272	1.8
68.99582	18.7
69.03448	4.0
69.25456	1.7
70.84525	2.6
70.84872	3.8
71.01380	9.0
71.05018	3.6
78.95908	2.8
83.05029	2.9
85.02954	7.7
89.02448	4.1
96.96013	23.4
96.96959	3.7
97.02919	2.7
97.06567	3.1
99.00873	7.1
101.02445	6.6
111.00861	2.3
112.98563	21.7
113.02441	5.5
113.47527	1.7
121.02939	2.5
123.08190	5.0
125.09715	2.3
128.03554	3.4
143.04596	2.6
153.12839	2.0
155.10754	5.7
161.09714	2.3
163.11287	2.5
169.08731	3.6
171.10275	2.7
179.10809	4.3
181.12338	8.6
191.05684	2.0
197.11827	43.1
198.12186	3.0
199.13417	5.6
207.10234	13.0
209.11890	2.1
224.29610	2.0
225.11330	23.2
226.11638	2.7
241.10814	2.4
243.12328	11.7
253.09213	2.9
297.17648	2.6
299.18530	4.1
461.20288	3.3
479.21179	6.0
645.34760	2.6
741.37695	3.5
759.38092	100.0
760.38525	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61775	0.2
59.01384	0.8
68.99572	100.0
69.68087	0.2
69.68393	1.2
69.99911	0.3
71.01397	0.5
83.49600	0.2
96.96014	0.3
101.02415	0.4
106.06654	0.4
112.98568	98.6
113.98907	1.2
128.03568	0.3
143.04655	0.5
160.04111	0.3
187.51711	0.2
190.02171	0.2
241.09827	0.4
257.13068	0.2
267.11411	0.4
306.07693	1.0
313.11911	0.5
400.09872	0.2
467.73981	0.2
645.35254	0.5
669.31726	0.3
759.28253	1.3
760.28424	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.5
57.03439	3.5
58.00595	0.8
59.01377	28.7
60.19598	0.7
61.98825	4.1
66.44852	0.6
67.01883	2.9
69.18659	1.5
69.19076	4.3
71.01380	70.9
72.01708	1.5
72.99290	2.0
73.02948	6.1
74.35958	0.6
75.00874	1.2
83.01377	4.2
85.02451	1.2
85.02945	17.6
86.03270	0.9
87.00853	3.0
87.36968	0.8
89.02441	13.4
91.65860	0.5
95.01378	2.4
96.99305	12.5
97.02925	1.1
98.20650	1.3
99.00877	5.8
101.02441	17.3
102.02769	0.6
111.00879	41.2
112.98631	0.9
113.02449	10.3
115.00358	9.7
119.03476	4.6
129.01938	17.7
130.02216	0.7
131.03482	0.8
143.03503	1.3
143.04538	0.7
147.39996	0.7
159.03012	1.2
161.04524	2.7
168.92485	0.6
179.05609	1.1
197.11745	1.0
242.03313	0.7
306.07462	0.7
467.30060	7.2
468.30402	1.4
481.27948	1.5
485.31046	0.7
629.35376	100.0
630.35724	23.5
630.52301	0.9
647.36584	9.9
648.36865	1.8
727.35406	35.1
728.35620	8.8
759.38275	7.9
760.38177	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	759.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.7
61.98824	0.4
68.99574	2.3
69.73265	0.1
71.01377	0.6
78.95902	10.0
79.52059	0.1
79.95741	3.7
85.02946	0.2
89.02464	0.3
94.98092	0.3
96.96014	100.0
96.96925	13.9
97.95962	0.5
99.00884	0.3
101.02470	0.3
112.98569	3.2
113.02478	0.2
119.03465	0.2
123.08196	0.2
143.35028	0.1
181.12209	0.2
191.05482	0.1
207.10345	0.2
225.11278	0.4
229.34592	0.2
250.95602	0.2
274.61456	0.1
277.67862	0.1
306.07550	0.1
337.74582	0.1
381.76071	0.1
395.42209	0.1
550.84680	0.1
604.39514	0.1
632.65405	0.1
661.34003	0.3
741.36816	0.4
759.37463	0.3
760.37067	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	758.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.3
61.98829	100.0
71.01393	0.6
71.53540	0.3
72.25336	0.2
78.95908	2.4
82.33039	0.3
99.00800	0.2
116.92838	0.3
143.17514	0.2
152.99605	0.9
171.10298	0.8
209.11952	0.3
226.84177	0.2
251.20087	0.4
274.90076	0.2
279.23389	0.4
311.22409	0.3
422.32245	0.3
447.21689	0.4
465.22623	0.3
472.60046	0.2
620.85297	0.3
759.44562	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00607	1.4
59.01383	10.4
61.98831	25.4
61.99149	1.0
71.01382	90.3
71.52792	1.6
72.01720	1.7
73.02937	2.4
75.00839	1.4
78.95914	7.0
80.14273	1.3
83.05032	2.8
83.83628	1.4
85.02966	2.5
87.00863	1.5
89.02431	5.3
97.02927	2.2
99.00911	1.7
101.02484	6.0
109.06582	9.6
113.02460	3.2
119.03448	2.0
123.08238	1.4
125.09702	3.1
127.11301	3.7
137.09662	1.6
152.99603	5.0
153.09282	1.6
155.10811	1.6
161.04565	1.4
163.11264	5.6
171.10260	100.0
172.10596	4.5
179.05606	1.5
181.08719	2.1
181.12300	3.3
197.11819	4.8
199.09741	21.0
199.13428	3.4
201.11311	23.8
202.11549	1.7
207.10271	26.4
208.10519	2.4
209.11847	9.2
225.11270	18.4
227.13043	1.4
235.08141	2.9
243.12349	3.5
249.18619	4.4
251.20175	4.9
253.09308	13.5
277.21713	75.9
278.22192	8.5
289.18008	2.0
293.21069	1.8
311.22470	1.5
435.18625	3.7
445.19739	1.7
461.20129	5.8
585.94824	1.3
626.81384	1.5
654.48077	1.5
721.41553	3.6
726.45001	1.4
739.42798	3.0
757.43158	17.2
758.44128	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	757.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.0
59.01379	29.2
61.98539	1.7
61.98832	25.3
63.71886	1.2
69.48973	2.4
69.49368	7.2
71.01397	6.4
71.04980	1.1
73.02934	2.1
76.00629	1.0
78.95905	8.1
85.02975	1.5
89.02435	3.2
96.96979	1.6
97.02975	1.4
97.06542	1.5
98.19820	1.1
99.00864	4.8
101.02433	4.8
113.02444	1.8
114.70598	1.2
119.03474	1.6
123.08149	3.8
123.20158	1.1
125.09708	4.7
127.11277	3.0
145.05005	1.6
152.99561	3.6
155.10774	1.4
161.04504	1.9
163.11275	5.1
165.09172	2.3
171.10219	3.6
181.12323	5.4
199.09746	1.6
199.13345	7.4
201.11317	38.5
201.13234	1.9
202.11623	2.5
207.10275	6.2
209.11913	1.7
225.11314	17.9
235.08200	3.5
243.12372	5.2
249.18542	10.1
251.20010	1.7
253.09297	5.3
277.21710	76.5
278.22046	9.9
279.23383	1.5
289.15167	1.9
289.18109	17.2
290.18561	2.6
293.21167	1.9
307.28836	1.1
311.16803	1.6
311.21829	1.2
384.27612	1.3
447.21503	1.4
461.20007	2.1
721.42279	3.0
739.42578	10.7
740.44055	2.1
757.43774	100.0
758.44043	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47339	0.6
59.01371	4.8
61.98829	100.0
62.98514	0.6
68.99577	2.3
71.01381	36.9
71.53188	0.6
72.01740	0.7
78.95901	4.0
85.02966	0.6
87.00889	1.6
88.98824	0.6
89.02474	1.0
89.52787	0.5
95.77045	0.5
101.02457	2.1
109.06615	1.4
109.31971	0.7
112.98595	1.8
113.02444	1.1
113.60352	0.7
114.05644	1.0
114.93435	1.7
115.00404	4.7
115.04032	1.0
116.92872	1.4
120.03867	0.5
125.09730	1.0
127.11262	0.7
150.84038	0.6
152.99614	1.7
163.11391	1.5
169.54901	0.5
171.10265	22.7
172.10583	0.9
181.12425	0.6
197.11827	0.7
199.09724	3.4
201.11273	3.7
207.10271	6.0
209.11908	0.9
217.16023	1.2
225.11261	4.0
235.08203	2.6
249.18570	1.1
253.09315	5.2
261.15036	2.2
277.21710	45.2
278.22098	5.2
279.23151	0.8
304.28033	0.7
306.65573	0.6
403.68298	0.6
461.20334	0.8
721.42377	1.0
722.43237	0.7
739.43262	1.2
757.43799	5.6
758.44226	1.9
781.85773	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.6
59.01381	33.3
60.01724	1.0
61.98832	37.1
65.74397	1.0
69.45124	2.3
69.45529	4.1
71.01383	7.1
73.02936	1.7
78.24372	0.9
78.95896	4.8
83.01334	0.9
85.02957	1.5
89.02447	3.7
94.77149	0.9
95.01357	1.2
97.02962	1.4
99.00921	4.4
99.01440	0.9
101.02433	3.8
113.02464	2.6
123.22525	0.9
125.09725	5.9
127.11287	6.5
132.42882	0.9
141.99507	1.1
152.99544	2.7
155.10762	2.5
161.04456	1.2
163.11287	3.1
165.09207	2.6
166.33408	1.0
171.10245	4.0
179.05629	1.9
181.12320	6.6
183.10291	1.2
199.09798	1.8
199.13390	11.8
201.11320	87.6
202.11644	5.7
207.10207	11.5
207.31522	1.0
209.11797	1.9
217.12433	0.9
217.14464	2.3
225.11328	26.3
226.11678	3.1
235.08125	1.2
243.12372	8.9
245.19061	2.2
249.18599	10.0
250.18930	1.1
251.20195	1.2
253.09317	8.6
277.21725	38.4
278.22043	4.1
289.18091	13.7
290.18408	1.8
395.45993	1.0
418.86575	0.9
437.20572	1.3
460.17456	1.1
461.20154	8.4
462.20175	1.9
479.21423	1.2
497.22693	1.0
501.89359	1.3
699.88336	1.1
721.41852	3.5
722.42444	1.4
739.42627	8.6
740.42432	2.1
757.43805	100.0
758.44189	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50433	10.4
59.01376	35.9
61.98836	100.0
71.53844	10.8
71.54221	12.8
78.95908	73.8
80.96490	12.5
96.58992	10.2
96.90373	9.2
102.83406	10.9
110.83233	13.9
150.71350	11.1
152.99582	28.7
155.23581	11.3
158.11212	12.0
169.08731	13.3
207.10255	9.7
209.11855	17.9
211.13391	32.1
225.11301	27.6
249.18663	13.7
253.09372	11.1
277.21634	65.4
278.22162	15.8
323.16519	9.5
348.89496	11.3
435.11325	11.1
461.20267	18.2
552.17523	10.8
708.69714	10.3
757.41577	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63057	1.1
55.01879	1.4
57.03436	1.4
59.01377	100.0
60.01717	1.1
61.98829	11.0
71.01010	1.6
71.01379	23.5
71.54426	0.9
72.99287	3.2
73.02930	6.4
83.01378	3.8
85.02944	14.0
87.00887	1.4
89.02450	7.1
95.01379	4.1
96.96005	1.2
97.02923	1.8
99.00851	3.1
101.02432	12.2
104.67870	1.0
112.01633	1.1
113.02441	18.4
113.50148	0.9
113.61942	1.0
119.03472	2.8
124.01667	5.3
125.02438	5.3
131.42877	0.9
143.03491	3.5
161.04520	3.2
191.05449	1.0
204.92096	1.0
439.98599	1.2
449.29349	1.9
452.40359	1.0
467.29926	2.5
488.69653	1.0
557.31256	1.2
575.32788	1.6
593.33313	15.4
594.33313	3.2
611.34283	56.2
612.34692	12.1
629.35376	20.1
630.35638	3.3
632.49274	1.2
653.35406	6.5
654.35785	2.3
671.36542	13.2
672.36536	3.6
757.46118	9.3
758.44409	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	757.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68034	1.4
55.96430	1.6
56.90998	1.4
59.01379	100.0
60.01699	2.3
61.98830	66.4
64.56889	1.6
71.01386	13.0
72.17887	1.4
73.02941	4.0
78.95905	2.8
81.19812	1.5
83.01382	2.9
83.05048	1.5
85.02948	7.5
85.04527	1.5
87.00849	2.0
89.02443	4.3
95.01396	2.9
99.00867	1.9
99.04592	1.9
101.02444	8.0
113.02451	10.4
124.01654	3.0
125.02480	2.0
140.98915	1.4
141.90369	1.4
143.03435	2.7
188.89238	1.6
191.05565	2.2
197.11760	1.8
209.11865	1.4
211.13438	2.4
309.20309	1.8
379.61301	1.7
447.13300	3.2
449.28052	2.0
593.33282	8.9
594.32977	1.8
611.34369	24.8
612.34674	5.1
629.35803	9.7
630.35944	2.7
653.35236	3.2
671.36261	8.9
708.32684	1.8
725.38245	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.1
59.01381	17.9
61.98829	7.6
69.03444	0.4
69.87260	1.3
69.87653	0.6
71.01379	5.3
73.02940	1.7
75.00858	0.5
83.01389	1.3
83.04089	0.5
84.95126	0.6
85.02952	73.3
86.03274	1.5
87.00876	0.8
89.02451	1.6
92.95505	0.4
95.01377	0.7
98.19897	0.6
99.00890	1.0
99.04537	0.6
100.02089	0.4
101.02435	3.9
102.89245	0.4
105.38312	0.4
111.00896	0.5
113.02439	3.2
124.01675	0.6
129.01945	100.0
130.02306	3.4
130.44414	0.4
143.03543	0.4
162.47725	0.5
173.04388	0.4
209.11838	0.7
272.90613	0.5
294.72220	0.4
297.94458	0.5
303.23340	1.6
481.28085	0.6
593.33276	1.9
594.33801	0.5
611.34436	3.9
612.34955	1.4
627.33838	21.1
628.33929	3.6
629.35803	2.2
757.36273	4.3
758.37189	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
58.00618	0.8
59.01381	100.0
60.01722	1.4
61.39946	0.7
64.96530	0.8
65.41953	0.7
65.44213	0.7
69.03445	1.0
71.01382	21.6
71.29652	1.5
72.01728	0.9
72.99326	2.0
73.02949	4.8
83.01381	3.7
84.02201	0.8
85.02955	13.7
87.00910	2.1
89.02446	7.3
95.01391	3.6
97.02995	2.1
99.00891	2.2
101.02447	10.0
111.00918	0.9
113.02448	18.7
119.03517	2.7
124.01665	4.0
125.02445	6.0
143.03458	4.4
159.03033	1.0
161.04614	2.4
399.06949	0.8
449.29047	3.5
458.17276	0.8
467.30463	2.6
545.30627	0.9
557.31097	1.2
575.32697	1.5
593.33301	14.9
594.33893	2.7
611.34332	55.4
612.34534	13.6
612.43036	1.0
629.35431	18.7
629.44739	1.1
630.36176	3.4
653.35559	5.4
654.36340	1.5
659.30322	0.9
671.36499	13.0
672.37616	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	756.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.3
61.98828	100.0
62.98519	0.2
71.01380	2.4
78.95916	0.1
98.20656	0.3
99.00843	0.1
109.06586	0.1
149.91205	0.1
163.11313	0.1
171.10278	1.7
199.09717	0.1
201.11311	0.2
207.10275	0.4
209.11919	0.2
215.12939	0.1
225.11322	0.5
249.18626	0.3
250.19080	0.2
253.09306	0.3
263.76511	0.1
266.06808	0.1
277.21698	3.0
309.03705	0.1
437.29166	0.2
444.60471	0.1
527.43677	0.1
746.94702	0.1
757.43921	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.3
57.03455	2.0
58.00593	0.6
59.01380	100.0
60.01715	1.1
69.03461	0.7
71.01382	25.2
71.39420	0.5
72.99316	1.7
73.02946	6.1
81.03483	0.3
83.01389	3.9
85.02951	12.4
86.00127	0.5
86.03289	0.4
87.00881	2.0
89.02444	8.1
91.82869	0.3
95.01380	3.5
97.02960	2.7
99.00880	3.0
101.02446	12.8
102.02792	0.4
111.00903	1.0
112.01661	0.7
113.02451	18.5
114.02795	0.5
115.03981	0.5
119.03504	2.9
124.01665	3.8
125.02452	5.8
125.82589	0.3
128.41798	0.3
129.01981	0.7
131.03481	0.3
142.02722	0.7
143.03500	4.4
149.04536	0.4
159.03024	0.7
161.04532	3.5
179.05611	0.7
297.55402	0.3
449.28928	2.2
467.30063	2.6
468.30301	0.3
528.52563	0.3
545.30792	0.6
557.31244	1.3
563.32263	0.4
575.32135	1.9
593.33301	14.6
594.33582	2.7
611.34308	51.8
612.34698	10.4
629.35406	18.2
630.35742	4.1
653.35443	6.1
654.35938	1.7
662.25317	0.3
671.36487	14.9
672.36774	3.7
713.37616	0.7
757.40454	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62371	1.2
58.85351	1.1
59.01099	2.1
59.01381	22.2
61.98828	13.7
66.99268	1.2
68.21703	1.3
71.01373	6.5
78.95916	3.6
81.37185	1.5
83.01410	1.2
85.02959	3.2
85.08312	1.1
87.00892	1.7
89.02444	2.8
92.73034	1.7
97.02967	7.2
99.00881	8.1
101.02453	3.2
110.03744	1.8
113.02464	2.1
125.09776	2.1
142.02739	1.8
152.99506	3.9
153.21495	1.3
161.04565	1.8
163.11327	8.0
181.12375	17.1
191.57971	1.5
207.10255	49.5
207.12216	3.0
208.10583	2.9
209.11801	8.7
215.14374	1.8
225.11330	99.7
226.11636	6.4
227.12869	1.8
235.08170	2.6
243.12338	10.7
248.16809	1.4
249.18616	2.7
251.20168	100.0
252.20537	9.9
253.09370	4.4
277.21713	6.5
323.81174	1.3
443.19095	5.0
461.20303	46.2
462.20801	6.5
575.81659	1.5
695.40051	28.2
696.41040	6.4
755.41577	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	755.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	8.0
61.98830	100.0
63.78056	0.4
63.99251	0.5
71.01389	0.5
71.54838	0.7
78.95911	1.7
80.96531	1.2
89.02471	0.6
101.02468	0.7
113.02486	0.4
151.11261	0.8
152.99559	0.7
169.12340	16.4
170.12933	0.5
171.10266	4.8
209.11855	4.7
227.12881	0.9
235.08379	1.0
241.64659	0.5
249.18646	2.6
253.09349	1.7
277.21716	13.4
278.22119	1.6
279.15869	0.5
405.21152	1.6
421.39703	0.5
428.55069	0.6
449.20105	0.6
521.53668	0.6
637.17590	0.6
656.84344	0.5
709.41534	2.5
727.42444	2.2
755.19885	4.3
755.41187	3.2
756.18610	2.0
756.42108	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.2
59.01379	100.0
61.98837	7.1
69.87357	4.2
71.01392	4.5
71.05021	1.4
74.89273	1.0
78.95879	0.8
81.03450	0.9
83.05023	2.3
85.02917	1.2
87.00829	1.1
89.02457	1.7
95.04990	1.4
97.02940	2.3
97.06598	2.4
99.00886	12.2
101.02428	2.9
105.01942	1.2
109.06583	2.0
113.02437	2.3
121.06600	1.2
123.08147	1.1
125.09761	5.2
153.79431	0.9
161.04521	1.2
161.09827	0.9
163.11290	7.9
165.09114	0.9
169.38313	0.9
171.10223	2.6
181.12350	11.9
199.13383	8.6
207.10263	19.6
209.11832	4.9
211.13341	1.4
223.13611	1.4
225.11319	29.7
226.11563	2.6
227.12674	1.0
243.12340	15.6
244.12804	1.3
253.09230	2.9
273.18869	1.2
275.20068	2.6
291.19647	3.0
293.21280	5.3
309.20639	2.3
315.17526	0.9
407.25885	2.1
418.44226	1.1
461.20389	2.2
471.30951	1.4
479.21283	5.0
632.41595	0.9
755.42242	72.2
756.42609	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	755.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	14.7
61.98825	20.8
71.01389	4.7
71.10837	3.4
75.00878	4.2
75.02616	1.7
78.22926	1.8
78.95893	7.0
80.96542	4.1
82.42479	1.7
83.05034	4.5
85.02922	2.7
86.99712	1.8
87.00877	7.0
89.02482	2.3
89.88223	2.0
99.00901	2.0
101.02450	6.8
103.29970	1.8
112.32641	1.9
134.74748	2.0
152.99533	4.3
161.78894	2.2
163.11340	3.6
209.11816	100.0
210.12151	6.5
227.12790	12.6
235.08186	3.3
249.18602	40.9
250.18936	3.0
253.09283	8.0
277.21707	7.2
399.09802	2.2
450.32846	1.9
569.15564	2.1
737.41254	3.3
755.40790	11.6
756.41101	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	755.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.6
57.03446	1.3
58.00586	1.0
59.01379	68.1
60.01719	0.7
61.98829	3.8
65.00315	0.7
67.01884	1.3
68.99818	12.9
69.03448	1.3
71.01380	15.0
71.05019	4.1
72.92784	0.5
72.99308	1.0
73.02948	3.8
81.03457	3.3
83.01375	2.2
83.05045	0.6
84.02166	6.2
85.02947	22.5
87.00882	1.5
89.02448	6.1
89.29554	0.5
95.01393	1.6
97.02951	0.9
97.06573	0.4
99.00880	1.4
99.04522	0.6
101.02443	8.5
102.33014	0.5
108.45530	0.4
111.00883	24.3
112.01164	0.5
113.02451	6.1
115.04028	1.0
119.03518	3.2
125.02462	3.2
125.06092	1.3
129.01970	1.0
141.01704	1.3
143.03494	100.0
143.07108	4.7
144.03821	3.5
159.02979	0.7
161.04552	1.9
179.05624	0.6
191.05644	0.8
209.11769	2.5
227.12845	0.9
267.06613	0.5
273.18475	0.6
285.18057	0.6
300.54443	0.6
308.05066	0.4
309.20764	0.6
449.28705	0.9
467.30042	3.6
468.30313	0.9
582.32056	0.5
611.34332	15.7
612.34949	3.0
629.35370	41.2
630.35754	8.5
721.72107	0.6
723.36133	1.9
737.70825	0.5
750.97107	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	0.7
63.02414	0.8
65.00338	0.4
66.13071	0.3
69.72559	1.7
83.01391	0.7
83.38180	0.3
87.84736	0.3
93.03482	1.2
94.75213	0.3
96.96020	0.7
107.01417	1.1
109.02909	0.4
117.03494	0.7
132.02151	0.3
135.00929	0.4
151.00383	3.5
155.05135	0.4
159.04492	0.6
167.04988	0.5
169.06601	0.4
171.04448	0.6
183.04459	2.2
185.06053	0.5
187.03975	0.5
191.05598	1.0
201.30641	0.3
211.03981	2.3
213.05437	0.5
215.03426	0.3
227.03500	14.8
228.03922	1.3
229.05013	2.0
239.03542	0.5
241.04971	0.3
245.54414	0.3
255.02983	50.1
256.03476	6.3
257.04535	1.8
270.72568	0.3
283.02484	57.7
284.03220	51.7
285.04007	39.6
286.04358	3.4
297.03958	0.5
297.29266	0.3
299.05780	0.4
326.04272	0.9
327.05127	1.5
337.09442	0.3
446.08536	4.6
447.09094	0.8
456.53784	0.3
517.05475	0.3
593.15082	100.0
594.15430	18.4
635.15662	0.7
755.20233	4.3
756.20984	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.8
61.98837	2.7
63.69559	0.3
69.65096	0.3
69.80051	1.9
72.99308	3.9
75.00872	100.0
76.01211	0.7
76.18492	0.3
82.44021	0.4
82.62733	0.3
83.04995	0.4
88.98817	0.6
89.02465	0.4
93.03457	0.7
96.96047	0.5
114.24076	0.4
128.03658	0.3
156.49687	0.3
165.42998	0.3
173.04584	0.7
191.05652	1.1
289.42099	0.3
380.67615	0.4
382.46011	0.4
677.49677	5.9
678.49902	1.8
679.50378	0.5
693.48865	0.9
753.51648	0.5
754.51788	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2042
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
61.98838	0.7
63.02414	0.8
65.00338	0.4
66.13071	0.3
69.72559	1.7
83.01391	0.7
83.38180	0.3
87.84736	0.3
93.03482	1.2
94.75213	0.3
96.96020	0.7
107.01417	1.1
109.02909	0.4
117.03494	0.7
132.02151	0.3
135.00929	0.4
151.00383	3.5
155.05135	0.4
159.04492	0.6
167.04988	0.5
169.06601	0.4
171.04448	0.6
183.04459	2.2
185.06053	0.5
187.03975	0.5
191.05598	1.0
201.30641	0.3
211.03981	2.3
213.05437	0.5
215.03426	0.3
227.03500	14.8
228.03922	1.3
229.05013	2.0
239.03542	0.5
241.04971	0.3
245.54414	0.3
255.02983	50.1
256.03476	6.3
257.04535	1.8
270.72568	0.3
283.02484	57.7
284.03220	51.7
285.04007	39.6
286.04358	3.4
297.03958	0.5
297.29266	0.3
299.05780	0.4
326.04272	0.9
327.05127	1.5
337.09442	0.3
446.08536	4.6
447.09094	0.8
456.53784	0.3
517.05475	0.3
593.15082	100.0
594.15430	18.4
635.15662	0.7
755.20233	4.3
756.20984	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.8
59.01389	15.7
61.98832	55.3
63.33181	1.7
69.03452	3.8
70.22225	9.1
71.01375	8.0
89.02431	3.0
97.06554	2.4
98.20608	2.6
101.02430	3.5
113.02445	4.2
125.09751	2.0
151.11256	3.0
153.12886	2.3
157.30948	2.0
158.18864	1.9
161.09645	2.9
171.10254	10.7
179.10802	6.9
180.61420	2.1
184.59651	2.0
197.11832	55.5
198.12181	2.9
207.10242	2.2
209.11856	7.4
241.10883	2.1
253.09280	4.3
275.20215	8.7
293.21329	8.8
459.18732	2.0
492.86417	2.1
563.20313	2.3
588.92395	2.4
753.40643	100.0
754.22083	3.8
754.41022	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80255	0.4
54.18134	0.5
59.01379	5.8
61.98826	3.1
63.40520	0.5
71.01373	1.5
72.99312	8.6
75.00881	4.9
83.92219	0.4
87.00877	1.6
88.98804	0.5
89.02418	0.6
98.20657	1.2
103.00375	6.8
104.00703	0.9
105.01934	100.0
106.02281	1.6
115.21418	0.5
132.27757	0.5
152.15410	0.5
179.04552	0.5
191.05553	0.6
372.62726	0.6
395.58621	0.5
404.18460	0.6
558.97797	0.5
647.37140	2.3
648.36597	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
57.03456	0.5
58.11692	0.4
58.57213	0.5
59.01378	19.1
61.98833	1.6
70.28689	0.9
70.29078	0.8
71.01382	4.4
71.05032	0.9
73.02950	1.0
75.23674	0.4
83.01379	0.6
85.02953	0.9
87.00874	0.6
89.02453	1.9
97.02946	6.5
97.06637	0.6
99.00880	8.9
101.02425	2.6
107.05013	0.4
109.06601	0.8
110.03748	1.5
112.53877	0.5
113.02460	1.3
113.16400	0.5
113.97988	0.4
123.08160	0.5
125.09700	2.7
127.85638	0.5
135.08189	0.9
136.05298	0.9
142.02713	1.4
145.55336	0.5
156.04936	0.5
157.56807	0.4
157.69965	0.5
161.04565	1.1
163.11320	8.3
164.11658	0.7
181.12364	16.9
182.12698	1.1
199.13397	1.3
207.10271	48.6
208.10608	3.5
225.11324	100.0
226.11633	5.8
235.08231	1.5
243.12366	11.5
249.18594	76.7
250.18973	8.5
253.09241	2.9
277.21823	1.3
280.27155	0.5
299.14929	0.8
317.16019	0.6
331.65012	0.5
388.37979	0.5
443.19098	3.9
444.19366	0.6
461.20291	39.5
462.20566	5.4
549.34955	0.6
574.30005	0.5
581.20923	0.6
693.38470	25.4
694.38690	5.0
753.40839	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08551	0.3
59.01371	1.1
60.84706	0.2
60.99307	16.3
61.98827	3.1
71.01381	0.7
71.44873	0.3
72.99303	0.3
75.00874	0.3
83.05071	0.3
83.18129	0.3
85.02951	0.4
87.00876	0.6
88.00403	0.5
88.98806	100.0
89.02447	2.1
89.99149	1.1
93.03494	0.3
95.79366	0.2
96.96021	0.5
98.19901	0.8
98.58178	0.3
101.02457	0.5
113.02423	0.3
119.67525	0.3
150.03252	0.4
165.05612	0.4
181.78265	0.3
191.05647	0.9
193.30121	0.3
204.73409	0.3
229.21062	0.4
319.69183	0.3
374.46048	0.3
375.33154	0.3
496.09451	0.3
663.35754	1.6
664.36481	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34570	1.4
59.01382	20.1
61.98824	7.0
69.03453	2.2
71.01379	2.5
71.54431	1.5
72.90136	1.5
78.95898	6.2
79.12271	1.6
82.95432	1.7
89.02432	3.2
101.02455	3.0
112.32707	1.5
113.02497	1.7
134.04655	1.5
140.11076	1.2
141.10199	1.5
152.99557	6.6
166.01791	1.5
167.10788	3.1
171.10275	1.4
179.14488	1.9
195.13901	8.9
205.12300	7.4
223.13391	100.0
224.13808	7.6
225.00552	1.6
226.60992	1.6
235.08269	1.8
235.66301	1.7
249.18571	53.5
250.18858	5.6
253.09300	6.9
339.04852	1.5
381.13345	1.9
441.21133	2.6
447.12140	1.5
459.22330	14.4
461.42230	1.3
617.34186	1.6
691.40155	2.3
751.39227	5.6
779.79993	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	753.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.4
59.01389	1.0
60.64578	0.2
60.74771	0.2
60.99295	1.4
61.98827	0.3
62.54378	0.2
67.01888	3.8
68.30856	0.2
69.03448	0.9
69.10085	0.2
69.33032	1.7
71.01382	1.8
71.67053	0.2
73.02941	0.3
81.03454	0.9
83.05016	0.8
85.02953	4.1
87.00873	5.6
93.03459	26.2
94.03797	1.0
95.65991	0.2
96.95998	0.3
99.00867	0.6
99.04522	0.5
101.02483	0.3
108.02206	0.2
108.82673	0.2
109.02958	0.8
111.04525	3.4
113.02444	0.5
115.04029	0.5
116.99722	0.2
117.03485	0.6
120.01269	0.4
127.03992	1.1
129.01991	0.6
134.03746	8.5
135.04042	0.3
137.02429	0.3
143.03491	0.2
149.06107	0.5
155.03540	1.1
160.01730	0.3
161.07161	0.3
171.03073	0.3
173.04550	10.3
174.04904	0.4
175.04002	0.6
175.08806	0.3
189.06744	0.4
191.05608	100.0
192.05962	3.8
193.05040	5.4
194.05331	0.3
223.03966	0.2
227.03470	0.3
255.02867	0.5
281.11893	0.2
283.02533	0.8
285.04102	1.1
323.12262	1.1
367.10321	37.3
368.10641	4.4
418.35339	0.3
491.11700	0.4
539.80750	0.2
609.14587	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80988	0.3
57.79846	0.3
59.01382	1.4
59.50178	0.3
61.98830	2.0
70.13584	0.9
71.01370	1.3
71.74541	0.2
72.99310	3.1
74.30882	0.3
75.00871	100.0
76.01221	1.1
78.95901	0.5
85.02940	0.3
89.02440	1.1
89.71771	0.2
95.45762	0.2
97.02894	0.2
101.02434	0.8
113.02437	0.9
119.03522	0.4
125.02430	0.4
128.15213	0.2
152.99580	0.5
179.05644	0.3
184.59016	0.3
231.80685	0.2
235.08261	0.6
277.21664	3.0
278.22073	0.4
373.84030	0.2
380.48056	0.3
397.13531	6.1
398.13828	0.4
415.14676	1.9
514.16895	0.3
561.19708	0.4
688.19513	0.5
689.18243	0.3
751.25067	0.3
751.42340	0.3
752.24683	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	45.5
61.98836	3.4
71.01379	1.6
71.54105	0.7
74.02482	0.5
74.04800	0.5
75.00874	20.5
81.04563	0.6
85.02939	1.1
88.98819	0.9
89.02438	1.4
101.02444	2.2
103.00375	100.0
103.04003	1.7
104.00712	2.0
104.03523	1.2
113.02446	1.2
119.03493	0.8
203.04088	0.6
208.83231	0.5
226.05534	0.5
310.83875	0.6
481.27188	0.6
485.31049	1.5
647.36420	7.8
648.36890	2.0
687.46838	0.6
693.08710	0.7
702.99109	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.5
60.99307	17.2
61.98846	0.8
65.68864	0.3
70.09959	0.3
71.01371	1.0
79.35082	0.3
87.00869	0.8
88.00395	0.7
88.98806	100.0
89.02448	3.2
89.99151	1.3
95.62943	0.3
101.02452	0.7
104.69795	0.3
105.01926	1.4
111.52346	0.3
113.02463	0.6
119.03513	0.4
141.71623	0.3
301.42227	0.3
303.86356	0.3
661.34503	0.5
662.33942	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.3
60.99306	16.1
61.87216	0.3
71.01377	1.0
72.99296	0.8
74.96532	0.3
75.00835	0.3
86.06664	0.3
87.00877	0.7
88.00441	0.7
88.98806	100.0
89.02441	2.8
89.99136	1.1
98.99693	0.3
101.02443	0.7
103.00366	0.6
105.01933	7.0
113.02480	0.4
130.18488	0.3
148.89767	0.3
250.18375	0.3
256.69431	0.3
258.04803	0.3
310.06000	0.3
661.34821	0.4
720.67621	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.8
59.75130	0.2
60.01714	0.4
61.98830	100.0
70.47278	0.2
70.71203	0.5
78.95921	0.2
96.54554	0.2
128.31058	0.2
159.89085	0.2
206.39240	0.1
233.82910	0.2
273.32159	0.2
476.18814	0.2
515.14185	0.4
528.14691	0.3
529.15472	0.6
604.20184	0.2
616.20288	0.8
617.20465	3.7
618.21576	0.3
649.19989	0.7
690.23773	0.3
750.24921	3.5
751.23712	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20321	0.3
57.03455	1.6
59.01385	3.0
61.98825	2.3
65.07773	0.3
69.03450	0.6
69.50103	1.5
69.50507	0.5
71.01381	1.5
71.62803	0.3
72.99308	0.4
74.65663	0.3
75.14561	0.3
78.95894	0.5
83.05029	1.3
93.03454	0.6
94.65338	0.3
95.05019	3.9
97.06593	14.6
98.06917	0.4
101.02441	0.3
111.08180	0.4
113.09707	1.6
118.91339	0.3
121.10240	9.4
122.10593	0.5
135.08051	0.3
139.07642	1.2
147.08165	3.8
157.08698	5.7
165.12834	1.8
169.08704	1.8
170.08995	0.3
181.08687	0.9
181.71678	0.3
183.10263	1.0
191.14363	0.5
193.42067	0.3
195.10257	0.7
201.16455	1.0
219.17532	2.4
245.15456	1.3
249.18587	7.1
250.18890	0.6
253.09325	1.2
253.15598	0.5
263.16510	100.0
264.16870	8.7
494.00662	0.3
592.27972	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99092	4.1
61.98814	14.4
63.07681	4.3
63.85604	4.2
69.34148	39.1
71.01369	9.2
96.96024	10.6
101.60452	4.6
123.06921	4.6
170.77386	3.9
201.11314	44.7
209.11835	100.0
210.12152	6.4
227.12924	21.7
230.73590	3.9
235.08151	7.0
249.18579	99.0
250.18837	5.8
253.09319	15.9
397.58490	4.2
437.20111	8.0
445.20474	11.8
485.27771	6.2
669.39093	5.4
749.39185	23.4
750.39233	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	749.44
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	32.5
71.01401	10.5
71.52377	9.5
78.95895	9.0
85.73957	7.3
86.19147	8.1
89.02459	7.9
125.72963	7.7
171.10179	8.3
196.89542	16.8
200.83519	8.7
234.55736	8.6
246.48232	8.0
253.18138	36.8
277.21729	100.0
278.22061	18.2
288.42484	8.2
291.23154	8.2
360.80853	8.7
366.14819	7.8
435.23853	31.8
453.24673	12.1
713.46204	16.6
749.43719	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.6
58.00584	2.8
59.01382	93.5
61.98817	8.6
69.42049	15.2
71.01385	61.4
72.99319	3.6
73.02946	12.6
83.01385	5.8
85.02950	17.7
85.03423	3.6
87.00854	5.8
88.98801	4.6
89.02441	35.2
95.01395	9.8
99.00840	2.5
101.02444	31.7
113.02452	27.5
119.03486	13.1
124.01659	2.6
131.03484	3.7
143.03485	4.3
161.04561	5.5
179.05573	4.5
224.29321	2.6
297.29050	2.1
300.63449	2.1
427.03799	2.2
483.29568	9.6
501.30899	9.9
645.34888	100.0
646.35303	19.3
663.35931	60.8
664.36255	8.0
705.36774	17.4
706.37701	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	749.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18630	2.4
55.06379	2.0
57.03426	2.4
58.73928	2.3
59.01381	100.0
61.98831	25.9
62.09553	1.7
69.54113	9.6
69.54527	4.8
71.01382	68.4
72.01715	3.3
72.99315	6.3
73.02951	16.8
83.01378	9.5
85.02950	25.3
87.00884	11.9
88.98787	4.1
89.02442	30.1
95.01384	5.4
96.96011	3.0
97.02950	2.5
98.20629	4.0
99.00894	6.3
101.02443	30.8
113.01713	3.4
113.02448	37.2
119.03494	11.9
125.02456	3.1
131.03526	2.7
143.03481	5.9
150.03200	3.5
161.04512	8.3
165.05496	3.3
179.05682	3.5
191.05650	6.4
217.97545	2.3
229.21495	2.1
408.21451	2.1
483.29443	8.5
501.30624	11.6
528.71747	2.5
645.34882	72.2
646.35663	14.7
663.35974	66.1
663.46802	1.9
664.36316	13.5
705.37964	15.9
749.35272	8.0
754.31812	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	749.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65612	3.8
53.57793	3.1
57.03439	3.5
59.01380	100.0
60.99302	14.3
61.98828	23.1
65.18283	3.4
71.01000	5.9
71.01383	73.7
71.54036	5.2
71.54411	4.1
72.99300	7.0
73.02943	15.4
82.95376	3.6
83.01388	10.9
84.95113	15.7
85.02952	30.3
87.00862	10.4
88.98810	82.4
89.02430	35.9
93.03459	4.7
95.01341	7.0
96.96008	6.3
97.02975	3.9
99.00890	6.0
99.85257	3.9
101.02438	45.6
108.01971	3.9
111.00831	4.0
113.02456	37.6
119.03484	10.1
130.15509	3.6
135.04472	4.9
143.03459	5.3
161.04573	4.9
171.10214	5.6
191.05557	15.5
259.33398	3.5
501.30667	10.9
531.67230	3.7
645.34821	98.8
646.35089	15.8
663.35913	83.1
664.36267	20.8
705.37036	39.0
706.36835	7.9
749.35638	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	747.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36145	0.3
56.16817	0.4
59.01387	2.0
68.99577	0.7
71.01369	1.9
73.02946	57.9
74.03284	0.8
75.00861	0.8
83.37209	0.5
85.02967	0.6
85.13541	0.4
88.63018	0.3
89.02435	0.8
99.00878	9.1
99.92580	9.7
100.92645	0.7
101.02463	1.2
112.98573	0.7
113.02479	0.6
114.93430	0.5
115.00401	0.6
116.92862	83.8
117.01940	100.0
117.92881	5.4
118.02299	2.1
119.03484	0.4
130.03934	0.4
265.76520	0.5
441.34698	0.4
458.89578	0.4
629.35376	5.3
630.36200	1.9
631.36139	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51237	0.3
61.98831	100.0
62.98558	0.6
64.73334	0.3
70.60066	0.6
70.60406	0.8
78.95885	0.5
124.85073	0.3
210.02390	0.3
279.23398	0.4
294.90710	0.4
735.86188	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.4
58.00581	3.3
59.01379	100.0
60.01718	2.0
61.98846	9.3
63.04547	1.9
71.01382	63.1
71.54003	2.4
72.01735	2.1
72.99315	6.0
73.02949	20.2
75.00863	5.0
83.01400	7.2
84.95110	9.9
85.02949	18.3
87.00868	6.4
88.98797	3.9
89.02441	37.9
95.01344	4.2
96.95993	1.7
97.69955	1.8
98.95596	3.4
99.00892	4.2
99.04526	2.2
101.02447	45.1
109.06625	2.1
111.00884	2.8
113.02449	32.5
119.03509	18.7
120.50270	1.8
121.18315	1.6
121.65648	1.7
123.08109	2.1
131.03511	2.7
136.42073	1.9
139.10512	1.8
143.03496	6.7
144.09726	1.7
161.04495	9.7
179.05602	8.6
191.05501	2.1
202.61859	2.0
240.26190	2.0
499.28970	4.8
541.29480	5.0
627.33618	7.4
643.33405	14.9
644.33673	3.5
645.34546	10.3
646.34552	2.7
661.34680	15.0
662.35278	2.9
688.68103	2.2
703.35590	6.0
747.33759	12.8
748.34338	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	747.345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.6
56.02160	2.1
57.03439	6.9
59.01379	100.0
61.98832	27.2
63.94951	2.1
68.95706	2.0
70.94057	5.0
71.01382	95.1
71.56995	1.9
72.99310	7.1
73.02945	17.7
74.03258	2.5
75.00859	11.6
75.13167	1.9
83.01382	10.1
85.02949	34.1
86.00104	6.8
87.00871	14.4
89.02438	31.6
95.01405	7.8
96.96009	6.6
97.02960	3.3
98.95583	3.0
99.00884	9.6
101.02444	54.9
111.00895	11.1
113.02446	40.7
113.03168	3.9
116.92873	4.0
119.03494	16.6
125.09819	2.0
129.01967	3.0
141.01912	3.8
143.03554	6.1
149.04497	2.7
159.02928	4.9
160.05565	2.2
161.04567	17.7
162.04858	2.2
179.05566	7.0
181.12282	4.1
191.05591	2.5
199.13344	3.6
207.10248	3.3
225.11378	6.9
235.08031	2.2
251.07797	3.0
423.45016	2.1
447.27753	3.9
451.26804	10.3
463.26660	2.9
465.28418	9.1
541.30365	6.0
609.32764	8.8
627.33630	13.7
629.31647	2.2
643.33075	22.5
645.35254	3.3
661.34375	32.9
662.34668	6.8
703.35626	6.9
747.34814	8.2
748.35510	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	747.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.9
57.03438	4.3
58.00605	0.9
59.01381	19.2
61.98802	1.6
68.99804	1.3
69.03452	1.1
69.33669	5.4
69.34093	2.9
71.01381	25.4
72.99320	6.3
73.02940	3.2
75.00883	14.5
83.01413	1.3
85.02948	25.2
87.00875	7.9
89.02429	7.2
93.03432	1.2
95.01383	7.1
99.00885	9.3
99.04524	43.9
100.04864	1.9
101.02450	5.6
103.00385	2.5
113.02448	28.3
115.00375	2.1
117.01949	3.1
119.03528	1.4
129.01935	2.0
175.02492	1.5
199.50658	1.0
249.06236	6.0
267.07236	7.8
283.53479	1.1
316.16852	1.2
349.11368	25.8
350.11655	1.9
445.76837	1.0
485.08829	1.1
497.27020	1.5
569.30200	1.5
613.51178	1.2
661.34698	1.7
667.12665	1.0
729.33667	2.5
747.34454	100.0
748.34747	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	747.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	3.7
56.44861	1.2
57.03437	3.9
58.00589	2.9
59.01379	100.0
60.01720	1.1
61.98393	1.0
69.03388	1.0
70.07961	2.5
70.08355	2.0
71.01381	59.5
72.01706	1.4
72.99304	4.5
73.02945	15.2
75.00877	3.4
77.19806	1.1
83.01398	6.8
83.05019	1.5
85.02956	20.0
86.00119	1.6
87.00867	4.2
89.02441	38.8
95.01406	6.5
95.01936	1.0
97.02927	1.6
99.00874	4.4
101.02444	36.0
111.00891	7.7
113.02450	35.5
119.03504	16.5
125.02410	1.7
129.01935	2.3
131.03473	2.6
141.01917	3.4
142.02699	1.1
143.03476	6.1
149.04590	1.2
159.03008	2.1
161.04539	8.6
179.05623	5.9
184.38799	1.1
219.51550	1.1
267.85660	1.1
319.13943	3.7
368.62585	1.2
383.20798	2.1
463.26706	1.6
609.32172	2.5
625.31860	1.7
627.34119	2.8
630.50336	1.2
643.33215	10.7
644.33826	2.1
661.34399	12.1
662.34790	2.5
703.35455	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	747.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04416	0.6
55.01873	2.2
57.03434	1.8
57.62377	0.7
58.00591	1.0
59.01380	24.8
61.98823	2.0
68.99857	0.7
69.03449	0.7
71.01379	28.2
72.99310	6.1
73.02943	4.0
75.00874	13.7
83.01379	2.8
85.02950	22.3
87.00866	6.9
89.02445	8.2
91.83520	0.6
95.01380	5.4
97.06603	1.0
98.19883	1.7
99.00888	8.8
99.04522	5.3
101.02435	8.8
103.00372	2.0
113.02448	22.2
113.41780	0.7
114.02740	0.6
115.00355	1.4
117.01953	1.1
119.03490	1.6
129.01942	1.2
135.37715	0.6
157.01367	1.1
161.04524	1.1
167.10759	4.1
175.02519	1.5
187.14838	0.7
199.00201	0.7
249.06139	3.4
267.07169	2.4
267.10999	0.7
319.22821	2.0
335.22104	1.1
497.27460	4.1
569.29626	2.7
627.34119	0.8
643.32855	1.1
661.34497	1.1
729.33118	1.2
730.33142	1.1
747.34418	100.0
748.34753	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	747.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.6
55.11984	1.4
57.03443	1.8
58.00594	4.0
59.01381	100.0
65.34216	1.2
68.93160	1.2
71.01385	51.9
72.01690	1.6
72.99300	3.8
73.02951	17.6
75.00861	2.9
79.27044	1.2
83.01381	5.7
83.03617	1.2
85.02959	15.5
87.00880	3.0
89.02448	49.8
95.01382	5.2
99.00845	1.9
101.02446	40.1
102.02774	1.3
103.00372	1.7
109.06576	8.8
111.00862	3.7
113.02457	31.9
119.03519	22.7
129.01942	1.5
131.03523	3.9
138.58833	1.2
141.01955	1.8
143.03493	6.9
149.04549	3.3
161.04576	9.3
168.21265	1.3
170.48454	1.5
176.50798	1.3
179.05609	11.4
185.07829	1.4
221.06744	2.1
229.38393	1.4
236.04771	1.3
370.73746	1.3
378.33029	1.3
387.20172	2.8
481.28156	2.0
643.33765	7.6
644.33594	1.8
661.34344	8.9
662.34564	1.7
703.35413	3.2
747.34332	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	747.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91919	0.4
58.77650	0.3
59.01368	1.7
60.35892	0.3
60.57109	0.3
71.01387	4.0
71.53728	0.5
72.01728	0.7
72.89246	0.3
72.99303	1.0
73.02946	8.7
75.00871	1.4
79.69655	0.4
85.02955	0.8
89.02452	0.9
99.00888	1.8
99.92589	11.1
100.92551	0.3
101.02451	0.8
105.75959	0.3
113.02457	0.6
115.00385	0.4
116.92860	100.0
117.01938	16.7
117.92107	0.6
117.92879	6.4
140.26488	0.3
198.93912	0.4
611.34369	0.4
629.35425	1.7
630.35803	2.9
631.36017	4.7
632.35828	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13574	1.4
55.01880	2.6
57.03443	3.6
59.01380	100.0
61.98820	1.9
71.01381	61.9
72.99309	5.8
73.02950	11.5
75.00877	5.1
83.01391	7.4
85.02946	15.5
87.00877	5.2
89.01966	1.3
89.02440	36.3
95.01383	5.8
98.20634	4.7
99.00892	5.8
101.02444	38.4
103.00391	2.6
111.00899	5.1
113.02451	36.3
113.03250	2.0
114.02809	1.7
119.03512	17.2
123.08144	1.7
124.01643	1.7
129.01942	3.1
131.03537	2.6
141.01917	3.9
143.03479	4.9
159.02983	2.0
161.04529	8.1
179.05612	3.8
182.24374	1.6
205.19711	1.4
319.14005	3.8
383.20523	2.2
481.28009	2.2
609.32953	2.3
625.32263	3.0
643.33112	10.0
644.33832	3.1
661.34351	7.4
662.34692	1.6
703.35272	2.3
747.34412	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	745.5029
Annotation	PG(16:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
60.74771	6.8
61.40499	6.6
61.98818	24.2
62.42779	7.1
70.80690	12.2
70.81030	16.7
78.95887	44.9
100.80432	8.1
145.63971	7.0
152.99620	40.5
172.41597	7.4
255.23267	100.0
256.23450	13.0
279.23297	97.1
280.23505	12.4
281.24689	20.2
307.59766	8.3
324.23215	7.5
448.33130	7.5
509.28629	17.4
745.50397	78.6
746.50702	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	747.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18089	0.8
59.01380	100.0
59.27061	0.8
60.01719	1.0
61.98829	4.2
65.20007	0.8
71.03119	1.9
76.94753	0.7
78.95880	1.2
120.59446	0.8
338.85678	1.0
455.17117	3.6
469.11456	1.4
473.03360	0.9
473.18243	5.1
474.18457	1.0
496.13785	2.0
512.13300	8.9
513.13397	2.7
526.15021	13.9
527.15369	3.7
569.16992	1.6
599.18420	1.7
600.18280	1.6
601.19537	4.5
613.18878	1.4
614.20178	83.0
615.20306	25.8
618.16479	1.1
632.17700	2.1
646.19287	7.4
647.19275	1.9
687.23181	6.3
688.23358	1.8
747.25214	56.0
748.25513	20.9
764.47852	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.5024
Annotation	PG(16:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
56.63924	2.6
61.98813	7.3
65.73114	2.1
78.95483	4.0
78.95902	45.2
80.96469	2.6
96.96935	5.4
110.24154	2.1
121.69742	2.5
122.97543	2.4
129.80757	2.0
139.35098	2.3
140.78061	2.5
152.99579	34.4
168.57414	2.4
171.00609	3.6
174.40967	2.1
227.03265	2.5
253.21672	3.1
255.23286	100.0
256.23608	11.6
277.22000	2.8
279.23282	97.1
280.23682	11.8
281.24780	13.9
415.22543	4.7
507.27109	3.7
509.28580	9.9
698.62811	2.5
745.50262	59.5
746.50659	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	745.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
57.03451	0.9
58.00594	0.7
58.63071	0.4
59.01379	24.2
62.99607	0.4
68.09666	0.4
71.01380	88.4
72.01718	0.8
72.99306	27.9
73.02938	4.3
73.45059	0.5
83.01395	2.5
85.02947	10.6
87.00883	1.5
89.02443	10.7
95.01395	2.3
99.00872	2.3
101.01792	0.9
101.02440	14.6
111.00880	1.9
113.02453	10.0
115.00371	6.8
116.92921	0.4
119.03490	4.1
129.01923	1.9
133.01361	0.5
136.13062	0.5
143.03511	0.7
159.02937	0.8
161.04521	1.9
177.03964	0.5
179.05589	0.9
203.09457	0.4
213.66168	0.4
366.26697	0.5
467.30142	6.6
468.30164	1.5
629.35382	100.0
630.35724	21.0
630.43860	0.3
713.61853	0.5
727.35461	6.7
728.35931	1.9
745.36487	28.2
746.36786	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	745.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.7
55.80593	0.7
57.03434	2.0
59.01379	23.0
60.27726	0.8
61.98836	7.3
71.01381	70.8
72.99311	16.3
73.02934	5.2
83.01402	3.7
83.43536	0.8
85.02956	10.1
87.00871	1.6
88.98837	1.2
89.02443	11.2
95.01381	1.9
99.00907	2.6
101.02442	15.3
101.75988	1.1
111.00868	1.2
113.02454	10.8
115.00363	4.0
116.92931	1.4
117.01907	0.8
119.03493	3.6
129.01958	1.5
143.03474	1.0
154.99529	0.8
159.03033	1.0
161.04544	1.5
172.85571	1.0
193.41675	0.8
199.89116	1.0
205.19073	0.8
409.63428	1.1
467.30237	5.6
468.30426	1.3
611.34436	2.6
612.81281	1.0
629.35413	100.0
630.35706	19.5
685.01190	0.8
727.35016	3.9
745.36682	16.4
746.37109	3.5
759.99304	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.7
61.98834	0.3
69.08772	0.2
71.01386	0.5
78.95905	8.5
79.95735	3.6
85.02948	0.2
89.02415	0.2
89.27057	0.2
94.98108	0.3
96.96013	100.0
96.96925	12.5
97.95959	0.4
98.02468	0.2
98.19905	0.5
98.20632	0.5
101.02477	0.2
111.60162	0.1
113.02399	0.2
121.97271	0.1
248.30411	0.1
270.25610	0.2
277.76578	0.2
346.64502	0.2
383.72617	0.2
569.27344	0.2
645.35034	0.2
647.36896	0.3
685.31616	0.2
745.35413	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01106	2.1
59.01377	27.1
61.98831	6.4
69.03439	1.2
71.01380	16.1
72.99277	1.3
73.02924	4.4
80.33829	1.4
80.91677	13.4
83.42430	1.1
85.02946	5.4
86.21145	1.2
87.00851	1.4
89.02436	11.3
93.03454	4.6
94.55733	1.2
95.01398	1.4
96.96006	2.7
98.19838	2.4
99.00883	1.4
101.02442	8.2
113.02428	9.6
114.68376	1.2
119.03477	6.7
121.02943	12.5
122.03735	16.8
124.01683	1.5
125.02444	1.3
131.03494	1.2
133.02896	1.8
135.04536	9.2
136.01659	22.7
137.02415	4.0
143.03500	2.5
149.02441	29.7
150.03227	100.0
151.00290	4.5
151.04018	24.4
152.01089	1.9
159.73643	1.5
160.05257	2.7
161.04507	2.9
162.03201	1.7
163.03947	4.2
164.04858	6.7
165.05562	96.9
166.02702	17.6
166.05882	8.2
167.03528	3.0
172.05225	1.6
175.03932	4.1
177.05536	3.3
180.04266	5.7
181.05069	20.4
189.05548	4.2
190.06345	5.4
195.06616	65.4
196.06956	3.6
199.11926	1.3
205.08678	1.6
238.39026	1.3
299.09433	1.6
311.09048	1.6
315.08658	2.5
329.10260	2.8
356.12726	1.8
357.09604	4.1
357.13425	11.2
369.13593	2.9
372.12006	2.2
373.12906	2.3
386.13525	2.6
387.14453	55.2
388.14908	8.2
505.18689	4.0
535.19702	71.5
535.47443	1.6
536.20135	15.5
538.37408	1.2
553.21094	2.5
565.20758	3.4
583.21771	40.1
584.22388	6.2
609.87238	1.4
643.33405	2.3
659.32483	3.1
663.35968	13.9
664.35876	2.0
685.33490	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	744.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.2
61.98830	100.0
62.98518	0.2
70.64490	0.5
71.01384	0.2
75.09274	0.1
77.21491	0.1
85.02979	0.1
89.25723	0.1
103.73840	0.1
116.92883	0.4
117.92841	0.1
147.69402	0.1
191.05602	1.8
192.05991	0.3
215.23631	0.2
337.09573	0.3
409.83759	0.1
664.17596	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.3
57.49252	1.0
59.01381	24.7
61.98825	5.5
69.67188	6.7
71.01379	14.9
71.26940	1.1
72.04079	1.0
73.02950	2.6
80.91695	12.7
82.29704	1.1
82.35197	1.1
85.02956	4.4
87.00876	1.4
88.60812	1.1
89.02455	12.7
93.03458	5.7
96.96000	3.0
98.20683	1.3
99.93110	1.1
101.02426	8.1
113.02458	9.2
119.03508	5.3
121.02972	14.2
122.03762	17.6
133.02971	2.4
135.04503	7.8
136.01663	21.4
137.02438	4.3
147.04553	1.5
149.02440	33.1
150.03232	99.9
151.00366	4.4
151.04025	25.6
152.01183	1.9
152.04306	1.4
160.05319	1.6
161.04552	2.3
163.04018	3.9
164.04800	6.8
165.05568	100.0
166.02708	17.0
166.05862	5.6
167.03432	2.8
172.05296	1.4
175.02676	1.3
175.04016	5.0
177.05547	2.5
179.05722	2.3
179.07471	1.1
180.04269	7.1
181.05078	19.1
182.05510	1.8
189.05527	3.9
190.06323	5.2
195.06627	60.4
196.06946	3.3
257.62711	1.2
266.05832	1.8
267.49704	1.2
270.85718	1.2
282.05521	1.8
285.51593	1.1
315.08838	2.4
329.10434	3.5
339.08685	1.4
342.11206	2.8
356.12595	2.7
357.09637	4.8
357.13458	11.8
369.13382	2.2
372.12167	4.5
373.12225	1.3
386.13397	2.8
387.14490	52.3
388.14951	6.6
490.16751	1.5
505.18448	5.1
524.10205	1.4
535.19751	67.8
536.20093	11.5
565.21021	2.9
583.21851	39.2
584.22186	9.0
641.31812	2.5
659.32520	2.3
663.36249	8.2
664.35608	1.9
685.33698	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	743.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02892	1.0
57.01470	0.9
57.03431	3.6
58.13605	1.1
59.01110	1.6
59.01378	20.9
61.98834	16.8
68.99553	4.0
69.03441	2.4
71.01365	6.5
71.05013	4.5
72.99310	2.3
73.02937	1.9
75.00863	2.0
78.95895	1.3
82.95374	1.0
85.02941	3.6
87.00826	1.0
88.98790	1.6
89.02430	4.4
96.96002	3.5
97.02936	3.3
97.06606	1.8
98.20628	2.9
99.00882	23.3
101.02452	5.5
109.06585	1.4
110.03690	1.3
112.98531	5.7
113.02395	3.9
123.08111	2.4
125.09737	9.4
135.08160	1.2
143.03574	1.3
152.99533	1.3
153.12746	1.6
159.05795	1.1
161.09802	1.7
163.11290	12.6
168.15515	1.0
171.33907	1.1
179.10753	1.4
181.12346	24.4
197.11806	3.5
199.13380	14.9
207.10245	34.1
208.10526	2.3
209.11731	1.3
223.13272	1.5
225.11314	51.4
225.13554	2.6
226.11636	4.6
229.11960	1.1
243.12366	29.1
244.12566	1.3
253.09290	3.2
273.18469	1.4
281.17511	3.2
368.80487	1.2
392.92627	1.2
410.83069	1.1
461.19974	5.1
479.21207	13.8
480.21777	1.8
481.28204	4.1
629.34930	3.4
725.37311	3.8
743.38440	100.0
744.38733	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.347
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30701	0.3
62.75633	0.3
68.99574	100.0
69.99928	0.6
71.53811	0.6
77.62239	0.3
79.40601	0.3
93.23811	0.3
112.98569	92.9
113.98883	1.0
152.97090	0.3
239.88033	0.3
286.06143	0.4
367.25986	0.4
629.34680	0.6
655.43396	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30335	0.6
55.00931	0.5
55.01871	1.8
57.03428	2.7
58.00587	1.0
59.01382	23.2
61.98836	7.5
68.99552	1.4
69.03447	1.3
71.01381	29.3
71.05013	0.9
72.99296	3.5
73.02953	6.2
75.00881	3.1
78.95896	0.7
83.01393	4.1
83.05023	0.8
85.02956	11.2
87.00877	2.0
89.02452	4.1
90.07574	0.6
95.01403	1.2
96.96008	1.7
97.02937	1.9
97.06582	1.2
99.00880	8.1
101.01802	0.8
101.02446	13.9
111.00915	3.5
112.98580	1.5
113.02452	7.1
115.00376	15.0
119.03513	1.5
125.09705	2.4
129.01924	0.6
129.77855	0.6
135.08125	0.7
141.01884	1.6
143.03433	1.2
153.09204	1.0
163.11259	2.3
181.12392	3.4
189.84779	0.7
197.08228	0.7
197.11803	1.3
199.13324	3.0
207.10201	4.7
207.78082	0.8
225.11302	8.4
226.11630	0.8
243.12367	6.2
253.09204	1.1
275.63733	0.7
279.23245	0.8
303.23264	6.6
319.22751	2.7
463.26898	1.1
479.21326	1.9
481.28006	4.0
482.28375	0.7
507.26999	1.0
577.22266	0.7
581.39648	1.2
627.33856	100.0
628.34186	22.4
629.35309	0.9
669.24664	0.8
743.43451	27.6
744.43457	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	743.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.4
61.98833	0.8
69.94237	0.2
71.01382	0.3
71.54134	0.3
76.87009	0.2
78.95902	10.7
79.95739	3.3
89.02482	0.3
94.98103	0.5
96.96015	100.0
96.96931	16.6
97.95944	0.4
107.04366	0.2
124.17307	0.2
140.03140	0.2
182.96193	0.2
219.08765	0.2
229.93236	0.2
645.34961	0.3
683.29822	0.2
743.37030	0.3
744.37384	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.5
59.25599	0.2
61.98823	2.9
62.20938	0.1
71.01376	0.6
78.95900	11.5
79.95734	3.2
89.02457	0.2
94.98079	0.2
96.96009	100.0
96.96922	13.9
97.95935	0.3
98.02457	0.2
110.73480	0.1
111.72929	0.2
113.02480	0.2
121.92007	0.2
146.90697	0.2
160.11018	0.2
203.34787	0.2
217.09137	0.2
229.19136	0.2
265.10596	0.2
271.16577	0.1
345.44290	0.2
594.00653	0.2
645.34814	0.5
743.36011	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.35
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26305	0.1
59.01381	0.5
61.98829	100.0
62.98540	0.2
62.99274	0.1
65.19235	0.1
66.05318	0.1
71.01383	0.3
79.40842	0.1
89.02422	0.2
89.84400	0.1
93.66142	0.1
96.37069	0.1
96.96011	0.4
101.02448	0.1
111.68895	0.1
127.64738	0.1
148.32179	0.1
191.05693	0.2
256.32553	0.1
320.79538	0.1
361.50342	0.1
367.11954	0.2
455.78088	0.1
524.10553	0.1
742.33459	0.2
742.44568	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98547	0.3
69.36498	0.7
69.36920	0.8
71.01385	0.3
74.02481	0.3
87.00865	0.2
96.95979	0.3
98.19915	0.3
101.60195	0.2
102.98033	0.2
115.00353	0.2
133.01425	0.2
171.79868	0.2
191.05675	0.6
222.03683	0.2
230.06267	0.2
245.09370	0.5
366.75980	0.2
387.12015	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.3
61.98833	0.4
62.99142	0.1
71.01382	0.4
78.95902	11.6
79.95736	3.0
80.91680	1.2
89.02463	0.2
94.98077	0.3
95.97604	0.1
96.96012	100.0
96.96926	16.4
97.09864	0.1
97.95979	0.5
98.02466	0.2
98.19888	0.5
101.02422	0.3
101.95818	0.1
158.35004	0.2
161.06699	0.2
222.83452	0.2
227.14528	0.1
237.89282	0.2
248.31860	0.2
406.15634	0.2
524.60406	0.2
645.35040	0.4
743.34186	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.4
55.47680	1.4
57.03440	2.7
59.01381	10.4
61.98829	27.7
68.12139	1.5
69.31947	10.6
69.32355	3.0
70.99226	1.5
71.01383	17.3
73.02952	7.1
78.95913	25.3
83.01376	2.9
85.02956	10.9
93.50450	1.4
94.63257	1.3
96.96956	2.5
98.20716	3.0
99.00865	2.3
101.02462	8.7
113.02435	4.5
121.18330	1.5
152.99574	24.8
171.00557	1.8
175.85374	1.6
178.73239	1.4
215.84947	1.4
227.03186	1.9
253.21732	15.3
255.23372	3.7
267.19745	4.5
270.02158	1.4
277.21713	82.9
278.22122	7.7
279.23294	2.4
293.17709	4.3
303.23257	13.6
304.23566	2.2
311.18393	3.0
347.37396	1.6
396.74649	1.5
413.20895	2.1
455.82571	1.6
463.26416	2.3
481.28305	7.6
483.27673	2.3
505.25760	57.4
506.25821	7.9
741.49341	100.0
742.49774	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02789	0.1
59.01374	0.3
61.98829	100.0
62.34891	0.1
71.01383	0.5
73.02950	0.1
78.95918	0.2
85.02950	0.2
88.98810	0.3
89.02470	0.2
90.35596	0.1
96.95995	0.9
101.02443	0.2
116.92877	0.2
121.07055	0.1
191.05615	0.3
243.12485	0.2
592.33600	0.1
645.35162	0.3
742.36340	0.3
743.35297	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
57.03425	1.2
58.94188	0.5
59.01377	9.7
61.98830	8.2
69.03458	1.0
71.01381	17.0
72.99287	1.0
73.02950	4.9
78.95906	11.9
83.01390	3.1
85.02959	10.2
87.00861	1.4
89.02433	2.3
95.01389	1.7
96.96942	0.9
97.02935	0.8
99.00868	2.5
101.02456	7.1
111.00841	0.6
113.02459	4.7
124.36810	0.5
128.09578	0.6
143.03468	0.7
152.99588	12.1
156.89877	0.6
161.04568	0.7
162.41011	0.6
166.74092	0.5
171.00571	0.9
214.27905	0.6
227.03239	1.0
229.15887	0.6
229.73671	0.7
253.21710	8.0
255.23311	1.4
277.21719	50.8
278.21997	6.1
301.21738	1.0
303.23318	12.5
304.23621	1.4
319.22723	2.8
358.55127	0.6
463.20755	0.8
463.26965	7.3
464.27451	0.9
481.28088	11.4
482.28427	1.8
483.27261	0.8
505.25690	26.5
506.26129	3.3
631.43353	0.6
678.05963	0.6
741.49396	100.0
742.49738	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4712
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32155	0.6
54.69920	0.6
59.01390	1.6
69.57262	1.5
69.57669	2.3
73.62334	0.6
78.95904	34.7
86.59133	0.6
96.96982	1.9
97.12131	0.6
105.66653	0.6
117.25697	0.7
130.68294	0.6
152.99580	43.4
171.00685	3.1
189.25708	0.7
227.03236	5.6
231.21260	0.7
233.22878	0.9
245.04289	1.3
253.21709	29.3
254.21939	3.2
255.23210	3.1
275.20258	1.4
277.21710	80.7
278.22101	8.0
413.20944	2.2
463.25339	1.0
483.27338	3.9
487.24503	1.6
505.25714	100.0
506.25992	15.2
741.47058	25.0
742.47461	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	741.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	9.6
61.98831	31.0
62.47301	0.8
64.18005	0.8
71.01388	4.5
71.52603	0.7
71.53041	1.6
78.95903	19.4
81.03485	1.0
83.05018	4.5
84.49556	0.9
85.02946	1.5
86.28191	0.8
87.00867	5.1
88.00398	1.6
89.02441	2.3
96.96980	0.9
101.02436	2.6
113.02451	1.3
121.12895	0.8
125.09731	1.7
127.11268	2.7
152.99582	19.9
153.00787	1.3
155.10704	1.3
161.04587	2.3
163.11276	3.1
165.12833	2.2
171.00658	1.4
171.10239	3.9
176.85490	1.2
185.11819	2.3
191.05611	1.2
201.11330	42.4
202.11649	1.8
209.11830	88.5
210.12129	6.5
213.11299	3.2
227.03319	1.5
227.12854	9.0
235.08205	3.4
249.18565	5.7
253.09256	13.7
253.21698	12.4
254.09715	1.0
277.21719	100.0
278.22067	12.5
301.21664	2.6
336.72830	1.0
437.20306	1.0
445.20773	1.4
505.25748	44.3
506.26160	5.6
741.47491	9.7
742.47449	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	741.4711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01402	0.9
59.20953	0.7
61.74165	0.7
61.98824	1.2
62.85585	0.7
70.20394	2.7
78.95904	40.4
96.96969	3.9
110.98524	0.8
122.00100	0.7
122.55088	0.7
148.88626	0.8
150.97925	0.9
152.99588	50.7
168.87085	0.7
171.00674	3.9
212.67915	0.7
227.03317	4.5
231.21121	0.9
253.21709	27.6
254.22032	3.1
255.23256	8.3
259.20383	0.7
267.03769	0.7
267.19705	2.1
275.20197	2.0
277.21716	79.5
278.22061	8.4
279.23279	1.4
291.91064	0.8
293.17368	0.9
295.22745	2.6
311.18845	1.0
413.21115	2.5
483.27429	5.7
484.27716	1.1
487.03278	0.9
487.24670	1.1
505.25745	100.0
506.26016	13.2
741.47150	22.9
742.47235	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	741.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	3.7
59.01376	100.0
61.98829	18.6
69.03435	3.7
71.01357	5.7
71.04982	2.8
71.08559	3.8
75.00861	1.7
75.13169	1.2
78.95908	10.2
81.03462	1.3
83.01369	2.2
83.05017	2.3
85.02967	2.3
87.00877	2.4
88.98774	1.6
89.02410	5.5
97.02945	1.5
97.06574	3.4
101.02415	5.4
109.06600	1.9
111.00896	6.5
113.02417	2.7
119.03513	1.6
123.04540	1.5
123.08098	3.6
125.09668	2.0
151.11278	2.1
152.99588	11.7
161.04483	1.7
161.09691	2.9
169.08664	3.1
171.10234	3.3
176.75966	1.4
179.10736	6.1
181.12288	4.5
196.49477	1.4
197.11813	73.5
198.12112	4.7
207.10226	2.1
211.13145	1.6
223.13278	2.2
225.11249	2.8
233.15503	1.6
241.10783	4.9
253.09230	2.8
253.21611	6.4
256.29529	1.4
273.18475	2.2
277.21677	21.8
281.17465	1.5
285.92761	1.3
291.19446	1.8
309.20941	1.5
320.12973	1.5
321.29492	1.6
325.21649	1.8
375.69989	1.4
425.26910	2.2
477.19629	2.1
505.25620	23.1
741.36792	89.2
741.47101	5.1
742.37238	26.3
748.28229	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	741.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26508	0.7
59.01387	7.6
61.98825	8.4
69.06760	0.8
71.01380	5.6
71.54931	1.1
73.02922	1.0
78.95910	4.9
80.02680	1.0
83.01382	1.2
83.05014	4.1
85.02953	1.9
85.37288	0.9
87.00862	0.8
89.02443	3.0
101.02410	4.5
104.60393	0.9
113.02422	2.1
119.03461	1.3
125.09696	2.0
127.11297	2.1
134.65923	0.9
146.22256	0.9
152.99583	5.4
155.10818	1.5
161.04573	1.1
163.11290	3.0
165.09157	1.6
165.12833	1.5
171.10228	2.8
201.11324	36.9
202.11530	1.9
209.11812	89.6
210.12178	5.2
213.11482	1.4
225.11087	1.1
227.12904	11.5
235.08253	5.3
249.18556	4.1
253.09273	12.9
253.21706	3.5
254.09566	1.3
276.56506	1.1
277.21710	100.0
278.22058	10.5
437.20422	1.4
443.32028	1.3
445.20941	1.8
505.25818	9.2
506.25836	1.3
741.46777	2.7
764.25928	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.3
59.01378	6.6
60.21779	0.1
61.98820	0.2
64.39527	0.2
66.85197	0.2
67.01887	7.4
69.03472	0.2
69.96822	0.7
71.01382	4.0
71.01777	0.2
72.99297	0.2
73.02944	0.7
73.67886	0.1
77.07255	0.2
78.95902	0.4
83.01392	1.1
83.18717	0.2
85.02947	6.8
88.98804	0.2
89.02444	2.0
95.01375	0.4
96.96024	0.4
99.00875	0.4
101.02440	2.9
111.00879	100.0
112.01202	3.4
113.02430	1.4
119.03486	0.8
120.86333	0.1
129.01949	1.4
143.03445	0.2
152.99545	0.3
161.04567	0.5
179.05623	0.3
197.11795	1.9
241.10785	0.2
277.21747	0.5
315.99866	0.2
328.14838	0.2
467.30048	1.9
505.25650	0.8
611.34009	0.6
629.35376	25.9
630.35699	5.2
741.36829	2.4
741.47437	0.2
742.37103	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16277	0.4
57.03448	0.7
59.01380	14.2
61.98833	3.4
67.01887	6.1
69.04158	0.3
69.96247	1.8
71.01378	4.5
72.99298	0.4
73.02951	0.6
78.95900	1.2
80.36897	0.3
83.01379	0.8
85.02954	4.7
87.00896	0.5
89.02446	2.1
98.20773	0.4
99.52090	0.4
101.02435	3.4
111.00882	100.0
112.01204	3.1
113.02457	1.4
113.80036	0.3
116.43471	0.4
119.03516	0.5
123.08231	0.4
125.09745	0.4
129.02023	0.5
152.99542	1.0
161.04594	0.6
179.10748	0.4
183.10280	0.6
195.13811	0.4
196.39070	0.3
197.11841	6.3
202.12962	0.3
225.11525	0.4
226.34579	0.4
241.86127	0.4
253.21864	0.8
273.18576	0.5
277.21597	1.8
325.32443	0.5
341.57404	0.4
394.14221	0.4
425.27063	0.5
467.30099	1.9
505.25735	2.9
506.26306	0.6
532.20758	0.4
565.05316	0.4
629.35413	26.3
630.35687	4.9
691.63611	0.4
741.36810	9.7
742.37189	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	741.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	14.7
61.98835	9.1
66.64095	2.5
68.56525	2.5
71.01388	7.7
71.54399	2.8
73.46558	2.7
85.02962	6.0
89.02462	4.8
93.03500	2.4
95.75096	2.1
96.67170	2.0
96.96008	19.3
98.95604	7.5
101.02437	2.9
108.02201	3.5
116.92868	6.2
121.02971	2.8
130.08791	3.1
136.01675	30.8
137.02437	2.7
147.08443	2.5
151.00394	5.9
151.04001	58.5
154.84924	2.7
161.04581	5.2
178.99867	3.3
179.05595	5.4
191.05598	28.4
213.45885	2.6
227.03595	3.6
243.02998	10.4
255.02982	25.0
256.03348	2.8
271.02438	67.0
272.02994	7.5
300.02737	100.0
301.03287	15.6
332.58014	2.5
337.09406	5.3
342.11191	5.0
357.13397	76.0
358.13745	6.9
519.18951	7.2
741.18671	58.7
741.39246	3.8
742.18958	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	11.5
61.98831	22.3
63.15572	0.6
63.99256	0.8
71.01387	1.0
77.03962	2.4
78.95908	3.7
79.32046	0.6
89.09408	0.5
93.03447	0.8
96.96027	0.8
121.02957	100.0
122.03291	3.0
132.28909	0.6
152.99577	2.9
160.70349	0.6
165.01926	72.4
166.02263	3.5
180.05832	0.6
180.79088	0.6
181.06607	2.5
191.03545	1.7
209.11806	8.2
210.12202	1.9
225.05603	2.2
227.12997	0.6
228.53787	0.6
248.98148	0.6
249.18640	1.4
253.09332	0.6
253.21727	3.2
277.21777	7.8
293.21237	0.8
294.21548	1.0
313.07135	1.5
357.06152	8.5
358.06387	1.1
505.25793	7.9
588.55060	0.6
588.64111	0.7
741.14813	4.9
741.47626	2.2
742.15247	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	741.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63593	0.5
59.01366	1.8
61.98819	2.7
65.00338	0.8
66.19002	0.5
69.60912	0.5
69.72006	2.0
69.72418	1.1
85.02956	0.5
93.03441	1.5
96.95982	1.1
97.02991	0.7
107.01392	0.8
113.02397	0.6
114.05585	0.6
117.03448	0.7
128.03529	1.4
151.00356	2.1
151.03963	1.0
159.04446	0.6
163.04068	0.5
173.04555	0.9
178.60989	0.6
178.99843	0.9
183.04454	2.0
191.05545	3.6
192.67526	0.6
211.04013	2.1
211.30113	0.5
215.03491	0.6
227.03468	10.0
228.03909	0.6
229.04958	1.9
230.05208	0.6
239.03630	0.5
255.02979	38.0
256.03391	4.2
257.04419	1.7
283.02472	55.6
284.03214	34.1
285.04022	51.9
286.04398	4.2
307.13513	0.6
327.05042	1.4
337.09174	1.3
357.13187	0.6
373.11395	0.7
399.07254	0.9
438.32159	0.5
446.08490	6.4
447.09061	1.9
536.73157	0.6
579.13531	100.0
580.13818	17.1
599.46436	0.5
621.15680	0.8
741.18933	3.5
741.31213	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4927
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98538	0.1
74.53194	0.1
83.04993	0.1
109.33072	0.1
122.44952	0.1
140.23843	0.1
196.49352	0.1
251.05852	0.1
286.06046	0.1
527.01007	0.1
536.35236	0.1
679.50482	0.1
680.50958	0.3
729.46979	0.1
740.49170	1.1
741.50000	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.0
60.01712	0.1
61.98831	100.0
62.98566	0.2
65.41179	0.1
68.01200	0.1
69.26262	0.6
69.26684	0.4
71.01381	0.2
78.95924	0.4
89.02389	0.1
101.02406	0.2
152.99588	0.3
158.64467	0.1
171.10368	0.2
181.90912	0.1
185.11848	0.3
195.10298	0.2
211.13530	0.1
213.11394	0.5
249.18564	0.9
253.21841	0.2
277.21643	0.6
279.23248	0.1
280.23615	0.2
399.14404	0.2
400.14505	0.1
429.94226	0.1
505.25592	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	10.3
61.98817	2.6
63.14105	0.8
65.13888	0.6
71.01382	9.1
71.05014	3.1
71.53497	0.8
71.53832	1.1
78.95896	0.7
83.04981	1.0
85.02951	1.3
87.00925	0.8
89.02443	3.5
95.05044	1.0
97.02944	3.8
97.06590	2.1
99.00880	16.7
101.02419	3.2
109.06607	1.5
113.02446	2.5
119.03513	1.0
123.08158	1.6
125.09722	6.0
127.11259	0.9
142.02701	0.7
155.14369	0.8
161.04510	1.1
163.11293	9.9
170.79753	0.7
171.10265	5.1
181.12331	16.7
182.12637	1.6
197.11794	1.3
199.13374	14.0
200.13805	0.8
201.11212	1.6
207.10251	32.7
208.10561	2.1
225.11307	50.1
226.11658	2.4
235.08289	1.0
243.12360	24.9
244.12708	0.9
253.09265	4.6
270.24557	0.9
277.21722	26.6
278.22061	3.3
426.13104	0.8
461.20230	5.0
479.21249	12.2
480.21732	1.5
739.42694	100.0
740.43048	24.7
740.55713	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	740.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59191	0.1
59.01385	0.2
61.98832	100.0
62.98554	0.2
71.01392	0.4
71.54373	0.2
78.91906	0.4
79.33389	0.1
96.96040	0.1
106.15657	0.2
113.02451	0.2
135.04530	0.2
173.04628	0.1
179.05699	0.1
191.05652	0.6
238.93472	0.1
243.12459	0.6
270.01312	0.1
399.92139	0.1
424.83710	0.2
504.12408	0.1
679.50220	0.1
740.49921	0.6
741.37665	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.0
61.98828	100.0
70.64368	0.4
70.64743	0.2
78.95913	0.8
81.81355	0.2
89.02417	0.2
101.02438	0.2
114.38499	0.2
152.99602	1.3
153.22276	0.2
169.12349	0.4
171.10281	0.3
185.11885	0.3
195.10304	0.5
197.11856	0.6
203.41991	0.2
209.11882	0.3
213.11404	0.2
227.03131	0.2
239.16063	0.2
249.18616	1.0
253.21751	0.6
255.23286	0.2
262.25345	0.1
277.21713	2.2
279.23410	0.2
299.75070	0.2
302.78012	0.2
311.43073	0.2
314.65686	0.2
325.67520	0.2
389.94214	0.2
399.14352	0.2
400.14383	0.2
505.25653	2.4
709.37939	0.9
741.47113	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.427
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52105	1.8
59.01381	17.2
61.98829	20.6
67.92157	2.2
69.22084	4.5
69.22490	18.3
71.01384	11.3
72.99308	2.3
78.95898	8.4
85.02937	3.5
87.00864	2.1
89.02415	2.7
90.15383	2.1
95.04981	2.3
99.00909	2.1
101.02445	4.7
109.06589	3.3
113.02396	2.6
125.09653	3.6
138.13930	2.3
152.99577	5.0
160.14803	1.9
161.04428	2.4
163.11290	4.2
171.10268	90.4
172.10553	5.0
181.12294	3.3
197.11852	5.3
199.13428	20.2
200.13844	2.5
201.11290	4.5
207.10272	13.8
209.11722	3.4
225.11324	45.8
226.11609	4.6
235.08252	4.2
243.12401	7.7
253.09218	10.9
263.86816	2.2
277.21716	100.0
278.21960	13.2
279.23169	5.7
280.23721	3.6
445.19199	2.4
461.20309	8.9
679.28766	2.3
721.42017	3.7
739.42084	30.8
740.43115	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	739.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.0
57.03444	1.0
59.01381	10.5
61.98820	3.0
65.06166	0.8
69.03431	0.8
71.01385	7.4
71.02567	1.4
71.05009	2.6
73.02953	1.6
78.95886	1.5
83.05049	1.0
85.02937	1.8
87.00852	1.6
88.87944	1.0
89.02421	4.5
89.29537	0.8
96.55651	0.9
97.02969	4.7
97.06578	3.1
99.00278	0.9
99.00881	12.0
99.70663	0.9
101.02435	4.1
107.05055	1.0
109.06527	1.6
110.03738	0.9
113.02425	2.4
119.03528	1.1
123.08142	1.4
125.09734	7.1
127.11301	1.1
142.02756	1.1
145.05016	0.8
151.11324	0.9
161.04535	1.7
161.09634	0.8
163.11301	9.6
171.10237	7.1
179.10764	1.5
181.12354	17.9
197.11789	3.9
199.13393	27.4
200.13708	1.5
201.11211	1.1
207.10262	41.6
208.10512	2.0
225.11311	79.2
226.11609	4.4
235.08217	2.3
243.10123	1.2
243.12375	14.9
253.09323	4.9
277.21722	68.5
278.22092	6.9
443.19791	1.6
461.20245	12.0
462.20480	1.2
479.21310	4.6
574.81885	1.0
721.41632	5.3
739.42700	100.0
740.43048	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	739.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	9.1
59.34600	0.7
61.98830	6.2
68.46186	0.8
71.01379	6.4
73.02950	1.1
75.00881	3.0
78.95911	3.2
80.88686	0.7
81.34818	0.8
83.05049	1.1
85.02936	1.7
87.00882	1.1
89.02454	3.0
95.01408	1.2
95.05005	1.7
101.02454	4.2
109.06555	1.4
113.02450	2.0
119.03516	2.1
121.06580	0.8
125.09747	1.4
127.11268	1.1
152.99614	2.5
161.04549	1.9
163.11292	3.9
171.10265	100.0
172.10635	3.6
179.05618	1.6
181.12288	1.0
189.09189	1.5
195.97110	0.8
197.11806	1.3
199.13425	4.0
201.11324	1.5
207.10248	9.6
225.11317	43.0
226.11650	2.0
235.08226	3.8
243.12463	2.3
253.09271	8.6
277.21704	83.4
278.22006	9.7
279.23325	1.7
332.82034	0.9
389.18723	1.0
407.19144	2.0
443.19141	2.4
461.20355	9.3
462.20572	1.9
647.22260	1.0
721.41425	2.7
739.41888	3.0
740.07880	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.3
61.98829	100.0
62.98538	0.2
74.15451	0.1
78.60973	0.1
91.55123	0.1
94.75542	0.1
101.02475	0.1
142.87866	0.1
161.45581	0.1
207.36862	0.1
224.04283	0.1
247.34798	0.1
256.42038	0.1
277.21777	0.1
278.22266	0.1
279.22687	0.1
378.81323	0.1
397.13638	0.1
398.13989	0.1
399.14108	0.2
417.15085	0.1
562.97144	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	738.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08210	0.1
57.36382	0.1
59.01373	0.3
60.15619	0.1
61.98829	100.0
62.82438	0.1
62.98531	0.2
67.99912	0.1
98.19923	0.3
98.20571	0.5
206.83591	0.2
229.02194	0.2
300.15060	0.2
323.36478	0.1
458.10117	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.0
60.58199	0.1
61.98830	100.0
62.98534	0.2
73.01730	0.1
76.41650	0.1
78.95942	0.1
80.19720	0.1
105.03693	0.1
116.59022	0.1
160.24617	0.1
166.01685	0.1
191.41020	0.1
277.21686	0.2
278.21951	0.2
279.23422	0.1
415.39340	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.6
57.03438	3.2
58.00586	1.8
59.01381	34.7
61.98833	13.8
68.86591	0.6
71.01382	38.9
72.07155	0.5
72.99309	3.1
73.02941	8.0
75.00866	1.0
78.95892	1.5
82.64417	0.7
83.01388	22.8
85.02950	17.5
86.00093	0.8
87.00867	2.3
89.02448	17.6
95.01393	3.5
99.00896	6.1
101.02445	26.6
102.02786	0.9
111.00878	4.2
113.01719	1.0
113.02451	13.1
119.03513	4.5
125.02391	1.0
127.00368	7.5
128.07179	8.5
129.01952	3.1
143.03485	1.2
159.03001	1.0
161.04543	3.3
161.37952	0.6
177.04016	2.0
179.05580	1.3
188.59718	0.7
266.41415	0.6
271.04456	0.8
286.79398	0.8
287.04080	1.5
467.30151	5.5
467.63968	0.6
497.54233	0.6
561.30597	4.2
562.30371	0.7
611.34534	4.0
629.35413	52.9
630.35724	10.1
739.35425	100.0
740.35791	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.5184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	14.2
79.92889	0.2
80.05051	0.2
81.03458	5.7
83.05028	14.7
84.05339	0.3
98.20624	0.5
100.07664	0.2
108.04556	0.6
125.07210	0.9
126.05589	0.4
143.08235	0.4
157.89899	0.2
174.34358	0.2
207.15018	1.2
224.17654	2.0
225.16072	11.7
226.16420	0.9
239.92111	0.2
241.26663	0.1
242.18758	0.4
250.15671	0.2
291.20602	0.2
309.21902	0.9
324.26514	0.5
333.22867	0.8
341.29178	0.8
351.24094	0.3
367.27094	1.3
368.27185	0.2
385.27975	0.2
407.33862	0.2
433.31897	1.3
434.31757	0.2
450.34567	1.2
451.32874	6.9
452.33176	1.1
516.38269	0.2
550.43121	0.8
551.43170	0.2
559.39594	0.4
565.45105	0.3
593.44128	0.3
594.44592	0.2
659.48578	1.8
660.48639	0.5
677.49670	100.0
678.49988	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.8
59.01379	32.8
61.98829	6.6
68.33632	0.9
69.03450	3.9
70.74780	1.1
71.01379	4.2
73.02966	1.3
74.28766	1.1
78.95905	3.2
83.05024	1.5
85.02951	1.5
89.02434	3.0
94.80705	1.1
96.95972	3.0
98.19902	3.5
101.02428	3.5
107.21698	1.0
109.83819	0.9
111.08139	0.9
113.02420	2.8
119.99015	1.0
120.59698	1.1
125.35103	0.9
127.07620	1.1
145.87541	1.0
150.54604	1.1
152.99583	2.2
161.04527	1.2
165.09151	1.3
165.12837	4.5
171.10201	2.8
181.12361	5.8
191.10776	9.6
197.11787	4.2
209.11824	100.0
210.12157	6.1
223.09679	1.5
232.85730	1.1
235.08168	3.0
249.18588	64.6
250.18851	4.4
253.09280	7.2
269.17694	1.9
277.21747	9.7
279.23300	3.6
293.21106	1.0
326.05011	1.1
427.19708	1.8
441.54233	1.1
445.20703	15.0
446.21008	2.1
477.77905	1.2
485.26947	1.2
677.39563	1.8
678.37500	1.4
737.40753	9.3
738.41711	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	737.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61080	0.6
55.01877	1.0
57.03432	0.9
59.01378	9.5
61.98827	2.1
62.16741	0.5
69.03461	2.8
70.28183	1.7
71.01385	5.5
71.05039	1.7
73.02944	1.1
74.14603	0.5
78.95905	1.5
83.01414	0.6
83.05022	0.7
85.02971	1.0
87.00883	0.8
89.02451	2.4
95.01411	0.7
95.05038	0.6
97.02946	0.9
97.06586	0.9
101.02419	3.9
113.02460	1.5
121.02882	0.6
123.08181	1.3
125.09732	2.0
135.24748	0.5
138.99973	0.6
151.11296	1.7
152.99561	0.5
153.12833	2.0
161.04620	1.4
161.09727	3.0
177.09251	0.7
179.10765	7.1
197.11833	89.2
198.12218	4.9
201.11324	0.7
205.08595	1.0
209.11775	0.8
223.09750	3.8
225.11438	0.5
231.32513	0.5
235.08243	1.2
241.10788	4.8
253.09355	4.2
273.77246	0.5
277.21710	30.6
278.22073	3.4
279.23169	0.8
299.33890	0.5
459.18799	1.0
477.20029	3.2
478.20016	0.7
575.35376	0.7
719.39294	0.8
737.41101	100.0
738.41510	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.36
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07864	0.2
59.01373	0.8
60.99305	16.4
61.98837	1.2
71.01373	0.6
73.23582	0.2
85.02970	0.3
86.14079	0.2
87.00871	1.1
88.00388	1.2
88.26157	0.2
88.98805	100.0
89.02438	5.3
89.99133	1.1
94.09214	0.2
101.02472	0.6
106.10603	0.2
110.27110	0.2
114.23194	0.3
116.88995	0.2
185.68718	0.3
325.35400	0.2
341.17200	0.3
485.30942	0.4
571.78009	0.3
647.36780	3.1
648.36926	1.3
649.37042	0.3
709.47211	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
57.03422	0.7
59.01117	0.5
59.01383	8.9
61.98838	3.6
69.03459	5.9
71.01379	5.0
71.05021	1.5
71.54361	0.8
72.94306	0.4
73.02944	1.0
74.22538	0.5
78.95890	1.4
79.73439	0.5
81.03482	0.5
83.01388	1.1
83.05024	0.7
85.02945	1.4
87.00867	1.6
89.02429	2.2
89.72576	0.4
94.70375	0.6
95.01366	0.6
97.02926	0.6
97.06598	1.6
99.00867	0.7
101.02438	3.9
113.02440	1.8
119.03470	0.5
123.08151	1.1
125.09680	2.4
133.05037	0.6
133.94019	0.5
143.03477	0.5
148.55650	0.5
151.11319	3.3
153.12891	0.9
161.04520	1.0
161.09732	3.5
169.12311	2.3
179.10779	8.0
185.21532	0.6
197.11826	46.9
198.12128	3.1
205.08812	0.5
209.11812	2.0
222.71472	0.5
223.09729	2.0
235.08189	0.9
241.10730	2.1
249.18542	2.0
253.09212	3.7
269.17633	1.0
277.21713	55.6
278.22061	6.0
279.23267	1.7
280.23642	0.5
434.19821	0.5
459.18613	0.6
477.19565	1.7
575.36481	0.8
737.41156	100.0
738.41400	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95180	0.5
54.22885	0.5
58.54370	0.6
59.01366	2.1
60.99308	16.0
61.98817	2.6
68.49909	0.5
71.01376	0.6
71.33167	0.5
71.51896	0.5
80.32844	0.5
87.00880	1.1
88.00407	3.9
88.98807	100.0
89.02444	9.8
89.99125	1.2
108.87762	0.5
109.24046	0.5
113.02441	0.8
122.86823	0.7
154.48056	0.5
162.78307	0.5
183.75972	0.5
204.78471	0.5
209.11827	0.9
249.18427	0.9
287.35529	0.6
397.13535	1.1
473.80069	0.5
551.96191	0.5
569.28339	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.4
60.99309	20.1
61.58228	0.3
61.98829	8.5
61.99664	0.4
77.59109	0.4
78.95892	0.5
82.07355	0.5
87.00854	1.0
88.00403	3.6
88.98804	100.0
89.02442	11.7
89.99141	0.8
98.19872	1.2
101.02489	0.5
135.62096	0.4
165.55177	0.4
169.17116	0.5
209.11830	0.8
222.58008	0.4
249.18695	0.6
273.46301	0.4
337.67123	0.4
397.13507	0.9
431.84991	0.4
455.74170	0.4
656.15363	0.4
674.22156	0.6
737.21094	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86356	0.1
59.01377	3.3
60.43373	0.1
61.98815	0.1
71.01382	0.3
72.99308	8.5
73.99624	0.1
75.00873	4.5
75.01302	0.3
87.00873	0.6
88.98818	0.4
89.02477	0.3
103.00366	2.5
104.00725	0.3
104.03559	0.2
105.01935	100.0
106.02281	1.8
109.84153	0.1
136.10767	0.1
156.12123	0.2
165.61385	0.1
198.62480	0.1
255.64725	0.1
297.33920	0.1
304.47211	0.2
327.99573	0.2
629.35266	1.3
630.35870	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.344
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00561	0.2
59.01373	2.0
59.76044	0.2
60.99308	15.7
61.98827	2.2
69.42481	0.5
69.42886	1.7
71.01387	1.6
72.99306	4.7
73.02963	0.3
73.14386	0.3
81.18287	0.3
85.02959	0.7
85.95654	0.3
87.00880	0.7
88.00425	0.7
88.98808	100.0
89.02444	4.9
89.99151	1.1
90.55608	0.3
99.00862	0.5
101.02439	0.9
113.02451	0.8
119.52539	0.3
120.54055	0.2
125.92958	0.3
157.93761	0.3
163.11234	0.3
164.11563	0.3
181.12334	0.3
186.01503	0.2
197.11847	1.3
199.13416	0.5
201.48055	0.2
207.10255	0.6
225.11330	0.7
243.12337	0.6
317.81909	0.3
338.03424	0.3
357.18698	0.2
444.36932	0.3
630.35938	0.4
631.35126	0.7
645.35132	2.3
646.35522	0.9
649.36035	0.4
703.31787	2.9
704.32361	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71836	0.2
52.64532	0.2
59.01371	0.9
60.99308	17.7
61.98815	0.2
71.01392	0.6
71.20462	0.5
72.99313	1.5
85.02947	0.3
87.00876	0.7
88.00405	0.6
88.98806	100.0
89.02444	3.3
89.99126	1.3
92.51570	0.2
101.02449	0.4
102.75185	0.2
113.02433	0.4
142.42941	0.3
163.62106	0.2
376.80734	0.3
468.34479	0.3
505.83243	0.3
645.35089	1.2
646.35620	0.9
757.94476	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.9
60.99308	16.2
61.98815	0.4
63.26012	0.3
69.97331	0.3
71.01395	0.8
87.00874	1.1
88.00386	0.9
88.98807	100.0
89.02442	4.5
89.99135	1.6
92.06584	0.3
94.02113	0.3
94.50771	0.3
102.47560	0.3
105.01929	0.4
229.32350	0.3
289.11240	0.3
354.95288	0.3
541.96832	0.3
614.98486	0.3
645.34546	2.1
646.35522	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.5
61.98829	100.0
71.01382	0.3
71.51564	0.3
78.95914	0.2
85.02957	0.2
87.00878	0.3
87.21045	0.3
93.23343	0.2
96.96024	0.2
105.01949	0.4
113.02507	0.2
119.64980	0.2
122.02518	0.5
123.29022	0.2
191.05725	0.2
212.29933	0.2
544.24896	0.2
548.95923	0.2
611.34442	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.9
60.99308	15.0
61.98829	6.2
62.80682	0.4
71.01369	0.9
71.54187	0.6
85.02962	0.4
87.00871	2.7
88.00415	1.1
88.98807	100.0
89.02427	1.9
89.99148	1.2
96.95914	0.3
101.02464	0.5
118.44592	0.3
191.20741	0.4
197.11819	0.5
215.22141	0.4
312.77350	0.4
415.46393	0.4
593.23541	0.4
645.34613	1.7
646.35419	0.6
647.36780	1.2
685.30896	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18871	0.3
59.01369	1.5
60.99307	17.7
61.98812	0.7
63.37255	0.4
66.18980	0.4
70.28909	0.3
71.01378	1.2
87.00876	1.2
88.00422	0.6
88.98806	100.0
89.02438	4.3
89.99145	1.3
99.00877	1.1
101.02448	0.8
113.02412	0.5
119.03475	0.5
125.09772	0.6
163.11293	0.9
169.12337	1.2
181.12315	0.8
197.11873	1.7
199.13431	0.7
207.10307	1.6
225.11288	2.2
243.12431	0.8
645.34796	1.3
703.31738	7.4
704.31879	1.8
729.52692	0.4
735.34656	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	93.9
59.38165	3.5
71.01016	4.1
71.01385	62.5
73.02930	15.5
73.38609	3.7
76.48414	3.6
83.01376	6.3
85.02943	29.0
87.00857	5.7
87.04504	5.6
89.02446	28.9
95.01368	7.6
98.20595	9.1
99.57099	4.0
101.02435	37.3
104.02486	4.0
113.02431	32.4
119.03486	7.4
125.02471	4.8
143.03505	6.3
156.90039	3.5
159.27737	3.6
161.04541	10.0
165.91205	4.3
178.97981	3.6
260.25858	4.5
270.99612	3.8
461.72549	4.2
467.30014	7.0
472.88632	4.8
485.31134	12.2
629.35419	100.0
630.36139	24.0
647.36499	77.3
648.37030	20.1
689.38049	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	734.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.1
61.98829	100.0
62.98534	0.2
122.02489	0.8
156.72380	0.1
166.23553	0.1
224.26427	0.1
238.19798	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	734.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59056	0.1
59.01370	0.7
61.98831	100.0
62.98538	0.2
69.44048	0.1
71.01377	0.2
98.83559	0.1
134.53566	0.1
183.02754	0.1
213.99677	0.1
227.32005	0.1
250.90460	0.1
264.97736	0.1
295.05893	0.1
587.21448	0.1
588.21704	0.4
642.22900	1.8
643.22705	0.6
674.25336	0.8
675.25494	0.2
726.41321	0.2
734.27765	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20894	0.5
57.03450	0.7
59.01379	33.2
60.99294	0.9
71.01380	1.2
72.00887	0.5
75.00874	42.3
77.57140	0.6
85.02961	1.0
86.02271	0.5
88.98804	8.9
89.01533	0.6
89.02449	1.8
101.02435	3.8
102.01971	1.1
103.00373	100.0
103.03991	5.3
104.00718	2.0
104.03544	1.2
113.02479	1.7
204.27539	0.6
210.83852	0.6
277.16165	0.5
303.90833	0.6
390.97812	0.6
408.17941	0.7
467.30136	0.7
481.27890	1.4
597.93610	0.6
629.35468	10.3
630.35522	3.5
631.36310	0.9
663.58557	0.7
758.62268	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	5.6
57.03426	4.4
59.01379	100.0
65.03593	3.2
67.01855	2.9
71.01383	67.5
73.02940	16.5
83.01386	9.2
84.30324	2.9
85.02948	32.8
87.00868	7.0
89.02442	31.9
95.01379	9.4
97.02956	4.7
98.19920	7.2
99.00897	6.2
101.02432	38.8
113.02445	39.6
119.03530	8.1
125.02433	4.7
143.03516	6.8
161.04532	9.7
184.17647	2.8
266.78967	2.8
267.14154	2.9
467.30060	11.3
485.31003	16.1
629.35388	95.0
630.35370	19.9
647.36462	90.6
648.37067	18.2
689.37518	17.1
690.38123	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	733.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26017	0.2
58.17896	0.3
58.30731	0.3
59.01376	0.7
60.12802	0.3
60.99306	15.9
61.98820	0.8
68.68437	0.2
69.27190	2.8
71.01362	0.9
85.02951	0.6
87.00886	1.7
88.00405	0.5
88.98804	100.0
89.02439	5.3
89.99133	1.3
99.00861	0.4
101.02456	0.5
113.02455	0.5
160.59354	0.3
302.28159	0.3
303.34799	0.3
404.58679	0.3
481.28046	7.1
482.28271	2.3
733.35675	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	10.8
59.01635	2.0
61.98836	12.7
71.01377	3.9
78.91887	12.1
78.95911	2.3
82.91331	1.6
93.19637	1.4
98.19894	4.8
152.99599	2.5
347.18625	1.4
442.16660	2.0
453.11823	2.1
455.17236	10.1
456.17648	2.7
457.18884	13.5
458.19180	2.2
468.10397	2.7
469.11514	2.5
473.18277	14.0
474.15771	5.3
485.18365	7.2
486.18259	1.7
487.23257	1.7
496.13852	9.2
497.14706	2.6
501.18134	1.7
511.16061	13.1
512.13123	20.8
513.13611	5.6
526.15210	15.1
527.15564	17.3
528.16150	6.0
529.17200	2.2
560.15387	2.0
583.18433	8.9
584.18414	3.1
597.19714	4.8
598.20190	1.6
599.21820	8.2
600.20978	3.5
613.19696	1.9
614.20166	100.0
615.20685	45.4
616.21112	6.1
629.22754	1.7
645.21820	2.6
646.18945	12.8
647.19031	2.4
673.21301	6.9
724.48334	1.6
733.23395	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	731.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	1.6
56.33501	1.4
57.53924	1.6
59.01380	16.5
61.98831	21.3
71.01381	99.1
71.54298	2.5
73.02939	5.5
75.00898	1.6
77.08557	1.9
78.95898	9.8
81.03471	1.8
83.05004	1.7
85.02967	3.0
89.02445	3.4
91.97649	1.7
94.75628	1.6
97.02947	2.3
99.00880	3.7
101.02444	6.7
105.01974	1.5
109.06586	7.4
113.02454	3.3
119.03452	2.0
125.06104	3.9
125.09719	2.0
127.11295	3.6
135.08182	1.7
137.09669	2.5
143.07195	2.8
152.99579	5.0
153.05545	1.6
153.09135	2.1
156.14339	1.8
161.04552	2.0
162.97008	1.6
163.11298	4.8
171.10266	100.0
172.10651	5.8
181.08730	2.9
181.12328	4.3
190.36073	1.8
195.58409	1.6
199.09723	19.4
200.10196	2.2
201.11299	27.1
207.10257	22.5
208.10727	2.6
209.11876	11.6
225.11301	17.1
227.12895	3.3
243.12239	2.9
249.18617	5.6
251.20154	87.6
252.20520	7.1
253.09293	16.8
254.09798	2.9
277.21713	5.9
278.21997	5.3
279.22525	3.5
314.40335	1.9
404.10107	1.9
435.18692	5.0
443.19177	1.9
461.20291	6.7
473.18188	2.9
507.04395	1.6
620.36371	2.9
623.25830	3.2
695.40186	4.4
731.42261	20.1
732.41046	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	731.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	11.2
61.98832	23.7
71.01383	100.0
73.02935	2.8
78.95918	8.2
85.02990	1.7
89.02456	4.2
89.21046	1.6
97.02953	2.0
97.06602	1.6
99.00894	3.1
101.02456	4.9
109.06599	8.2
113.02450	3.1
117.73153	1.5
125.06074	2.5
125.09731	3.6
127.11295	4.2
135.08194	2.0
138.56992	1.4
140.28252	1.3
143.07130	2.0
149.21960	1.3
152.99562	3.7
153.05508	1.4
161.04619	1.4
163.11288	4.2
171.10266	89.6
172.10622	6.5
181.12326	4.0
185.11917	1.5
191.05536	1.4
195.34535	1.5
199.09753	19.1
199.13426	2.5
201.11330	25.2
207.10231	23.4
209.11792	9.7
225.11342	16.2
226.49831	1.5
227.12909	2.4
229.47002	1.8
243.12318	3.5
249.18567	6.0
250.18948	1.5
251.20163	84.6
252.20374	7.3
253.09264	15.5
255.23309	1.7
257.96906	1.5
258.36111	1.6
277.21759	5.1
278.22000	5.2
279.22983	2.5
409.01349	1.5
419.18988	1.6
435.18533	3.7
461.20239	6.3
620.36902	3.3
623.25195	2.7
624.25305	1.7
668.77789	1.8
695.39819	5.8
699.26404	1.9
713.41467	3.5
714.40619	2.0
731.42487	17.0
732.42572	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	731.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	72.9
69.17314	100.0
71.01380	34.8
73.02947	10.7
82.63203	10.9
83.01408	10.1
85.02964	12.5
89.02438	13.3
95.01329	8.9
98.20751	15.0
101.02446	26.7
113.02465	13.7
129.06227	9.4
131.69170	8.6
161.95857	9.5
192.53595	8.9
217.22842	9.4
339.77490	10.3
611.34546	81.8
629.35260	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	43.1
59.46196	3.7
61.98829	100.0
69.32129	3.6
69.33237	21.8
71.01373	20.2
73.02943	13.6
85.02949	12.5
85.87015	3.4
89.02441	6.9
96.96021	6.5
98.19850	6.0
99.00888	4.4
99.92567	8.6
101.02428	14.0
111.68882	3.5
113.02451	9.2
116.92857	48.4
117.01937	8.8
127.58699	3.3
129.05806	3.5
143.03499	4.0
159.99820	3.7
160.01357	3.5
171.10081	3.7
178.99774	3.5
249.18417	6.3
311.97260	4.0
412.66919	4.1
417.13016	5.4
452.07294	4.1
484.75632	4.9
494.92041	4.1
534.16418	5.3
535.17834	4.1
611.34283	26.9
612.34698	4.1
629.35242	22.9
630.35590	6.4
631.36090	5.3
650.75397	4.9
651.26440	7.3
671.36401	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	731.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
62.57012	8.1
69.16602	76.5
69.17023	33.2
71.01375	56.4
85.02972	26.8
89.02413	10.6
101.02430	19.0
103.01818	9.7
112.15412	10.2
113.02456	20.6
167.94865	10.9
195.25470	10.1
205.66429	10.5
259.41736	10.6
310.65408	10.1
483.28290	18.2
525.29639	19.0
611.34540	71.0
612.34546	24.2
629.35498	59.0
630.35474	14.7
656.37421	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	731.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	43.1
59.46196	3.7
61.98829	100.0
69.32129	3.6
69.33237	21.8
71.01373	20.2
73.02943	13.6
85.02949	12.5
85.87015	3.4
89.02441	6.9
96.96021	6.5
98.19850	6.0
99.00888	4.4
99.92567	8.6
101.02428	14.0
111.68882	3.5
113.02451	9.2
116.92857	48.4
117.01937	8.8
127.58699	3.3
129.05806	3.5
143.03499	4.0
159.99820	3.7
160.01357	3.5
171.10081	3.7
178.99774	3.5
249.18417	6.3
311.97260	4.0
412.66919	4.1
417.13016	5.4
452.07294	4.1
484.75632	4.9
494.92041	4.1
534.16418	5.3
535.17834	4.1
611.34283	26.9
612.34698	4.1
629.35242	22.9
630.35590	6.4
631.36090	5.3
650.75397	4.9
651.26440	7.3
671.36401	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	731.349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54673	1.6
55.01875	3.3
57.03447	2.6
58.00587	3.0
59.01379	100.0
67.32722	1.6
67.88870	1.5
68.99911	1.5
70.84390	4.6
71.01385	52.6
72.99306	2.6
73.02949	9.3
83.01374	4.8
85.02952	19.6
87.00874	6.2
89.02444	32.1
95.01389	6.9
97.02973	1.4
99.00867	3.1
101.02444	28.3
113.02451	31.9
114.02693	1.8
115.04106	1.6
119.03495	11.0
124.01630	1.5
124.27313	2.0
125.02444	2.6
143.03484	3.1
161.04584	6.0
179.02481	1.5
179.05591	5.9
218.47340	1.9
419.75616	1.5
446.65271	1.6
465.28442	6.0
483.29700	10.5
484.29816	1.9
627.33813	77.2
628.34082	18.6
645.34918	66.5
645.45905	3.7
646.35315	19.5
687.36047	12.2
688.35718	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	731.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.9
57.03448	3.2
58.00583	1.0
59.01380	19.3
61.98827	0.4
67.01870	0.6
68.99818	0.6
69.03448	1.0
71.01383	22.8
72.99312	5.8
73.02953	4.7
75.00873	15.1
75.01234	0.2
83.01376	2.5
84.02164	0.4
85.02952	24.3
85.29418	0.2
86.00078	0.4
86.03272	0.4
87.00878	6.4
88.64985	0.2
89.02441	5.3
95.01389	5.1
97.02940	0.4
99.00882	10.4
99.04493	0.5
101.02444	6.2
103.00382	1.8
111.00879	1.1
112.01663	0.5
113.02454	20.1
114.02774	1.0
115.00372	1.7
117.01944	1.8
119.03524	0.4
129.01945	1.9
130.99783	0.3
131.03474	0.4
139.00392	0.3
150.88618	0.2
157.01463	0.5
159.03017	0.4
161.04582	0.3
175.02487	2.0
185.68124	0.3
205.07082	0.5
229.69920	0.2
231.05103	0.3
249.06114	3.4
267.07178	2.9
301.21820	0.5
303.23337	6.0
304.23563	0.7
319.22836	1.2
359.11462	0.3
463.27188	0.4
467.31454	0.3
481.28149	3.7
482.28397	0.8
532.55487	0.3
553.30029	3.4
554.30505	0.7
692.90662	0.3
713.34033	1.4
714.35388	0.3
731.34924	100.0
732.35272	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23020	1.7
55.01880	3.3
57.03452	2.4
58.00579	2.2
59.00282	1.7
59.01379	100.0
68.80223	1.8
69.23320	5.9
69.23769	10.2
71.01385	50.8
72.99314	2.8
73.02956	11.3
83.01382	5.9
85.02957	19.2
87.00867	3.3
89.02444	24.1
95.01375	7.8
99.00842	3.1
101.02440	21.0
104.56123	1.8
113.02443	33.0
119.03484	11.5
124.01651	2.3
137.64439	1.9
143.03484	4.0
161.04553	6.5
179.05579	3.7
265.07016	1.8
352.44849	2.0
465.28610	3.7
468.22803	1.9
483.29483	5.1
627.33801	67.7
628.34106	13.6
645.34845	61.6
646.35547	13.2
687.36066	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	731.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25571	0.2
55.00077	0.3
55.01867	1.2
57.03455	2.8
58.00581	0.7
59.01376	18.7
61.98825	2.2
63.70676	0.3
67.01878	1.0
68.73834	0.3
68.99812	1.3
69.03445	1.4
71.01379	23.1
72.99306	5.6
73.02946	4.5
73.03348	0.4
75.00867	15.1
81.03429	0.3
83.01389	2.8
84.02142	0.5
85.02947	20.1
86.03264	0.5
87.00875	6.2
89.02444	4.4
91.04005	0.3
92.96807	0.3
93.03448	0.7
95.01385	5.0
97.02940	0.6
99.00878	8.8
99.04512	0.5
101.02439	7.1
103.00356	1.3
111.00864	0.7
113.02449	16.4
115.00375	1.5
115.03959	0.3
117.01928	1.7
119.03454	0.5
129.01930	1.6
139.00407	0.3
157.01372	0.7
161.04559	0.4
167.25331	0.3
175.02504	2.0
180.06277	0.3
189.04010	0.5
198.95721	0.3
204.22198	0.3
205.07072	0.4
229.08586	0.3
231.05078	1.1
249.06140	7.8
250.06386	0.5
267.07199	1.9
301.21631	0.6
303.23279	6.2
304.23669	0.6
319.22833	1.5
320.22977	0.4
481.28021	5.1
482.28339	1.0
553.30188	3.0
554.30554	0.4
582.92102	0.3
611.34338	0.5
629.34802	0.8
690.64301	0.3
713.34088	1.4
731.34900	100.0
732.35248	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	730.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95634	0.1
61.98830	100.0
68.59857	0.1
69.25312	1.5
71.18230	0.1
78.95901	0.3
80.96516	0.9
94.98112	0.2
104.50681	0.2
140.75934	0.1
165.07544	0.1
171.10306	0.6
172.10619	0.2
178.23912	0.1
225.00746	0.3
264.22452	0.2
277.21820	0.2
329.78131	0.1
385.41531	0.1
432.25079	0.2
573.01117	0.2
731.36847	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	730.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.2
60.33145	0.1
61.98832	100.0
62.98516	0.2
71.01413	0.3
71.01756	0.2
78.95918	0.4
79.95753	0.3
80.96517	1.5
94.98106	0.3
134.97569	0.2
138.62105	0.1
164.98672	0.2
167.10312	0.1
168.32007	0.1
171.10301	0.4
172.10606	0.2
225.00728	0.3
232.61841	0.1
253.21783	0.2
255.23303	0.2
277.21732	1.4
278.22202	0.3
731.36719	1.7
739.03589	0.2
756.32751	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22553	1.1
58.00569	1.4
59.01374	19.3
61.98822	2.4
64.00394	1.1
67.19607	1.2
71.01382	86.1
72.01688	1.7
72.99301	1.8
73.02939	3.5
75.00870	36.4
78.95905	1.4
83.05025	1.6
87.00881	3.1
89.02432	4.7
97.02933	2.3
99.00895	2.6
101.02443	5.2
109.06588	9.2
113.02460	2.8
125.09702	4.7
127.11277	4.7
135.08141	1.8
155.10742	2.1
161.04509	1.7
163.11305	6.5
165.09109	1.2
171.10258	100.0
172.10539	4.9
179.05551	1.3
181.08673	1.2
181.12331	2.7
199.09738	22.3
199.13379	4.2
200.10327	1.3
201.09541	2.2
201.11316	26.7
202.11653	1.3
207.10257	25.3
225.11343	20.4
235.08275	2.9
243.12341	5.0
249.18582	72.4
250.18864	6.9
253.09277	12.6
255.23280	1.2
335.23145	1.4
397.13394	3.8
435.18658	5.1
457.97449	1.2
461.20596	7.7
479.21350	1.5
667.36664	1.7
693.38782	5.4
711.39575	3.0
729.40625	19.7
730.40778	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	729.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48052	1.1
59.01379	32.7
61.98814	4.7
66.80952	1.1
69.57282	1.1
70.84582	2.2
71.01376	6.0
73.02937	1.3
78.95888	1.2
81.65320	0.9
83.01389	1.0
85.02946	1.6
89.02461	5.1
98.19820	1.1
99.00893	5.9
101.02422	4.4
113.02399	3.3
113.80347	1.1
115.07638	1.4
125.09707	5.0
127.11279	6.0
155.10774	2.3
163.11282	3.1
165.09204	2.5
171.10191	2.3
181.12352	7.6
181.23244	1.0
184.20500	1.1
199.09674	2.3
199.13399	10.4
201.11314	82.6
202.11583	3.3
207.10257	10.8
208.10379	1.0
211.10902	1.1
217.14523	2.4
225.11311	24.3
226.11620	1.2
226.25121	1.2
235.08215	2.1
243.12378	9.1
244.27426	1.4
249.18573	37.3
250.18974	3.1
253.09235	9.2
437.20071	1.8
461.20200	4.9
573.11292	1.2
620.19611	1.2
693.38831	3.7
711.39764	11.6
712.40173	2.3
729.40607	100.0
730.40918	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74015	1.0
59.01379	14.5
61.98833	3.1
69.03415	1.4
69.34434	8.8
69.34843	1.9
71.01381	97.9
72.01706	1.3
73.02944	3.9
76.78376	1.0
85.02978	1.6
89.02439	5.8
97.02951	1.3
99.00871	1.8
101.02453	3.9
104.42979	1.2
109.06582	7.7
113.02460	1.9
125.09705	3.3
127.11292	3.1
137.09692	1.5
145.53629	1.1
155.10738	1.6
161.04553	2.5
163.11305	5.0
171.10265	100.0
172.10561	6.8
181.12439	2.4
197.11859	2.2
199.09770	17.7
199.13438	2.9
200.10023	1.5
201.11307	25.4
207.10251	21.0
213.21434	1.3
218.38509	1.3
225.11292	16.8
235.08212	2.8
241.17455	1.0
243.12340	3.3
249.18579	74.9
250.18980	6.3
253.09262	10.8
291.37421	1.2
435.18655	3.1
443.19092	1.4
461.20206	6.3
519.19147	1.2
539.36743	1.5
587.90521	1.3
693.38666	4.2
711.39227	2.5
729.40417	16.9
730.40826	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	729.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22296	0.3
55.01875	1.5
57.03434	1.1
58.00587	1.3
59.01379	25.6
60.01691	0.4
61.98822	2.1
68.99819	12.6
70.00142	0.4
70.45973	0.3
71.01381	23.5
72.01688	0.4
72.99317	1.5
73.02949	7.5
74.03301	0.3
75.00864	0.4
83.01379	2.9
85.02453	0.6
85.02951	9.9
87.00864	1.1
89.02444	11.7
93.35880	0.4
95.01383	2.1
98.20744	0.8
99.00880	19.1
100.01227	0.5
101.02441	15.4
102.02782	0.3
111.00871	1.6
113.02450	10.0
115.83402	0.3
119.03500	4.2
125.02472	0.4
129.01971	1.5
131.03477	0.4
143.03479	0.9
159.02965	0.7
161.04521	2.2
179.05582	1.5
212.47058	0.3
227.11745	0.4
467.30164	6.8
468.30582	1.0
481.28137	0.3
564.64648	0.3
569.01160	0.3
601.14148	0.3
611.34528	0.7
629.35388	100.0
630.35736	19.0
697.33777	0.6
718.25537	0.3
729.38812	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	15.5
61.98830	57.6
69.39761	65.3
71.01379	78.2
100.20552	11.0
125.06100	22.7
143.07121	43.7
168.78725	10.0
179.06995	12.8
219.37773	11.4
225.11269	31.6
232.74612	11.3
249.18529	30.6
253.09343	12.8
277.21698	100.0
347.37091	12.5
729.37012	32.9
743.45642	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	729.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.3
57.03449	3.3
58.00603	2.5
59.01379	100.0
60.01718	1.7
61.98838	4.6
63.31000	0.8
71.01382	49.3
72.99315	3.4
73.02950	11.3
83.01392	5.0
85.02954	20.6
85.03467	1.3
87.00909	3.2
89.02445	27.8
95.01374	5.3
96.95969	0.9
97.02949	1.4
99.00897	2.7
101.02441	24.3
111.00900	1.5
113.02450	28.8
114.02805	1.6
119.03499	11.1
124.01738	1.4
125.02493	3.6
131.03555	0.9
143.03516	4.7
161.04573	5.9
179.05695	2.4
192.82411	0.8
343.50946	0.7
463.27136	5.1
465.29077	1.4
481.27982	4.5
609.32849	4.2
610.33777	1.1
625.32275	41.2
626.32709	8.8
627.33844	16.2
627.43213	1.0
628.34711	2.8
643.33350	40.1
644.33612	10.9
645.34747	5.9
669.34821	1.5
685.34204	5.7
686.35352	1.0
687.36639	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	729.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.7
57.03447	2.3
58.00574	1.9
59.01380	100.0
61.98818	4.7
71.01380	54.0
72.99308	1.8
73.02943	11.2
81.03437	1.2
83.01389	5.1
85.02956	17.2
85.39736	1.1
87.00875	2.9
89.01926	2.1
89.02445	28.0
90.78709	1.0
95.01406	6.7
97.02902	1.7
99.00905	2.3
101.02448	28.6
102.64105	1.1
113.02453	28.8
114.02778	1.1
119.03509	10.1
120.01985	1.1
124.01666	1.5
125.02445	2.6
131.03535	1.1
143.03511	4.0
161.04538	5.2
167.67776	1.2
179.05621	3.9
236.18216	1.2
463.26947	7.3
465.28879	1.7
481.28073	4.4
609.32745	3.6
625.32227	46.2
626.32587	10.6
627.33777	10.5
628.34216	1.6
643.33289	42.6
644.33716	11.1
645.35034	4.1
685.34705	5.9
686.34778	2.5
687.35681	2.7
720.49420	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	729.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16700	0.6
55.01871	1.3
57.03438	0.8
59.01378	26.3
69.03445	1.1
71.01376	13.7
71.53553	1.0
72.99303	0.9
73.02953	6.3
80.30360	0.6
83.01369	2.1
85.02946	8.5
87.00874	0.9
89.02457	3.5
95.01394	1.3
96.96011	6.6
98.95590	3.4
98.96407	0.8
99.00872	3.3
99.92575	1.0
101.02446	8.5
113.02462	5.7
115.92045	2.5
116.92870	1.3
119.03471	0.7
129.01945	1.2
161.04594	0.7
165.07092	0.6
301.21719	1.1
303.23254	10.5
304.23587	0.8
319.22534	1.5
326.16745	0.6
463.27029	1.5
481.27979	9.8
482.28131	1.8
505.28204	1.7
523.29114	100.0
524.29443	20.5
729.28015	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81680	0.1
59.01375	0.9
61.93114	0.1
61.98830	100.0
62.98540	0.1
68.67038	0.1
69.50934	0.7
71.01411	0.1
98.19898	0.2
101.70084	0.1
109.16674	0.1
191.05695	0.3
259.81354	0.1
354.08453	0.1
387.19922	0.1
389.55887	0.1
503.34088	0.4
504.34155	1.5
505.34506	1.7
506.34689	2.1
507.34760	0.1
713.33679	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	727.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50815	0.6
59.01379	18.2
61.98830	3.4
69.36791	3.8
71.01392	2.3
73.02938	0.7
78.95900	5.7
84.40348	0.7
87.00903	0.8
94.38286	0.7
98.20687	1.4
99.28317	0.7
101.02456	1.7
104.23720	0.6
113.02462	1.0
119.27065	0.6
125.09710	0.7
127.11307	0.9
152.99551	5.0
161.04639	0.7
171.10262	89.6
172.10606	5.7
197.11882	1.2
201.11354	1.1
209.11896	3.1
213.11311	0.7
225.11246	1.0
229.98764	0.7
235.08214	2.7
253.09271	7.4
255.23259	7.5
277.21704	100.0
278.22021	10.2
281.24811	2.5
407.19220	1.3
441.64587	0.7
513.30200	0.9
637.36957	2.9
676.25970	0.7
691.37396	1.0
709.39288	2.0
727.39319	1.8
728.40411	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	15.5
60.98227	0.3
61.98830	3.8
71.01378	1.8
73.02966	0.8
78.95901	2.5
85.02962	0.3
87.00890	0.5
89.02441	1.0
98.20660	1.1
101.02448	1.3
102.82768	0.4
113.02461	0.9
114.19144	0.3
120.21983	0.3
125.09714	0.7
127.11282	1.5
140.35962	0.3
152.99608	1.9
153.09319	0.5
161.04601	0.5
171.10277	100.0
172.10599	4.6
225.11224	0.5
229.52264	0.5
232.19518	0.3
235.08209	1.0
253.09268	5.1
255.23389	2.0
275.19925	0.4
277.21716	48.4
278.22049	4.4
301.77551	0.4
374.85068	0.4
407.19305	1.9
513.30530	0.7
637.36658	1.1
703.81104	0.5
709.38367	0.5
727.39435	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93427	1.8
56.15342	1.6
59.01379	41.9
60.02957	1.8
61.98832	16.0
69.18699	1.9
71.01379	6.2
71.54820	2.1
73.02940	2.5
73.84843	1.9
74.61081	1.9
78.95930	4.6
85.02944	1.8
87.00889	3.8
89.02440	4.3
97.02937	2.7
101.02409	7.1
111.32938	1.8
130.45097	2.1
141.09198	3.3
151.11290	2.9
152.99588	3.9
169.12332	27.3
171.10262	49.5
199.93881	2.4
213.51672	1.9
235.08167	3.2
249.18665	2.8
253.09285	3.9
269.24820	5.2
277.21716	78.6
278.22055	7.7
362.60101	2.1
397.13403	8.3
415.14499	2.9
482.15512	5.7
555.18787	2.9
556.19226	13.0
557.18848	4.7
573.15234	3.4
642.22833	3.7
643.23608	6.1
644.23413	2.2
675.22272	7.0
676.21979	2.3
683.26025	3.3
709.41486	4.0
723.67145	2.1
727.42688	100.0
728.43073	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	727.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	38.1
61.98831	6.8
69.21638	8.3
71.01384	3.5
71.34745	0.7
78.95918	2.7
83.01412	0.7
85.02939	1.2
89.02453	3.0
95.61697	0.7
96.28361	0.7
97.02989	0.7
97.06611	0.9
101.02458	2.9
104.87805	0.7
112.22132	0.8
113.02441	1.5
127.11254	2.3
135.81001	0.7
151.11301	4.1
152.99542	1.5
159.01222	0.8
169.10892	1.8
169.12338	32.9
170.12776	1.7
171.10272	86.1
172.10605	4.9
179.05652	0.9
183.11423	0.9
209.11806	1.2
213.11336	2.6
231.12448	3.2
235.08315	1.3
253.09274	3.2
257.95419	0.8
259.15631	1.3
277.21701	33.2
278.22015	3.3
279.23282	1.0
316.74170	0.9
407.19135	1.1
449.20325	1.9
467.21271	4.1
480.26013	1.0
504.98187	0.9
558.12531	1.0
709.41589	5.5
727.42743	100.0
728.43109	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10729	0.5
55.01875	1.3
57.03429	1.5
58.00581	1.1
59.01381	20.0
61.98830	5.9
64.91147	0.5
69.03441	1.1
71.01382	24.6
72.99300	1.8
73.02937	3.8
75.00877	0.9
78.95910	1.0
83.01382	2.6
85.02952	10.9
87.00876	15.1
89.02438	10.7
95.01392	2.0
97.02946	0.6
98.20689	0.9
99.00889	2.4
101.02441	14.3
111.00875	0.8
113.02444	17.0
115.07648	100.0
116.07984	3.1
119.03487	4.4
122.11064	0.5
124.01685	1.1
125.02430	2.9
129.01936	1.1
129.09241	1.1
143.03477	3.7
152.99634	0.5
159.02982	1.2
161.04552	5.4
169.12434	0.5
171.10268	1.0
179.05573	1.4
197.11859	0.9
249.18709	0.8
277.21780	0.6
284.32886	0.6
380.19992	0.6
449.28970	1.1
467.30127	5.7
486.19464	0.6
547.32446	0.9
575.32648	1.0
611.34314	54.4
612.34680	9.4
629.35400	27.2
630.35522	5.4
679.86078	0.6
695.90778	0.7
709.37561	1.0
727.29102	1.0
727.42133	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	727.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.7
58.05679	1.0
59.01379	12.2
61.98831	10.9
64.62112	1.0
69.34241	3.7
69.34666	3.2
71.01382	4.1
73.02947	1.0
78.95895	2.3
83.45673	1.0
89.02435	2.1
98.19830	1.7
101.02419	1.9
113.02464	1.6
128.23055	1.0
151.11301	1.9
152.99585	1.0
161.04474	1.1
169.12343	100.0
170.12668	5.1
171.10268	25.8
172.10640	1.1
213.11382	2.3
235.08272	5.6
249.18604	65.2
250.18857	4.9
253.09328	4.8
277.21713	3.0
279.23352	1.0
311.96176	0.9
330.91559	1.1
331.55774	1.0
405.21280	7.2
406.21771	1.5
407.18820	1.1
449.20309	1.7
485.27127	1.2
681.38617	13.9
682.38910	2.9
695.27466	1.1
699.39691	11.1
700.40314	2.4
727.39087	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	727.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08780	0.6
57.03427	1.2
59.01380	11.0
61.98825	3.3
62.99034	0.6
67.71077	0.6
69.03443	0.8
71.01376	5.3
71.05013	3.7
72.99220	0.7
73.02946	1.1
78.86397	0.8
85.02956	1.6
85.64883	0.7
89.02440	3.0
95.04961	0.8
96.96012	3.0
97.02966	3.3
97.06573	3.1
98.76756	0.7
99.00890	17.7
101.02439	2.7
101.46682	0.6
109.06580	1.4
110.03733	0.8
113.02467	1.3
123.08114	1.7
125.09717	6.8
132.01970	0.8
138.01740	0.7
161.04552	0.7
163.11255	9.6
164.42740	0.7
171.10187	0.7
178.68799	0.8
181.12334	19.7
197.11888	0.9
199.13403	12.7
200.13571	0.9
203.17912	1.0
207.10243	27.6
207.13890	3.1
208.10515	1.2
209.11806	2.3
225.11310	41.2
226.11629	1.9
229.21153	0.7
243.12350	26.9
244.12657	2.7
247.16866	2.0
253.09135	1.1
265.18048	4.6
430.76306	0.7
461.20215	3.4
479.21390	10.8
480.21768	1.4
709.37762	2.7
727.39069	100.0
728.39435	21.4
734.39844	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85572	0.6
57.03426	1.9
59.01112	0.9
59.01385	14.0
61.98832	12.3
69.97061	1.5
69.97475	2.5
71.01375	6.7
71.05016	2.5
71.21884	0.7
72.99281	0.7
73.02924	1.1
74.92403	0.7
78.95886	2.1
81.03474	0.7
83.05013	2.8
84.04672	0.7
85.02950	1.3
86.91615	0.6
87.00851	0.7
89.02433	3.1
93.03468	0.8
96.96006	3.8
96.96967	0.9
97.02955	3.9
97.06579	2.7
98.19948	0.9
99.00880	19.6
101.02417	3.0
104.10898	0.7
109.06594	1.7
110.03719	0.8
113.02428	1.5
114.60915	0.7
116.92836	0.7
119.03514	1.0
122.77653	0.7
123.08132	2.4
125.09747	7.1
127.11263	0.8
135.08182	1.4
137.09607	0.8
142.02635	0.8
151.11266	1.0
163.11266	9.9
167.10742	2.3
171.10236	1.3
179.05630	0.9
179.10811	1.0
181.08704	4.3
181.12328	18.6
197.11795	3.1
199.09680	1.0
199.13391	13.1
207.08351	1.5
207.10262	25.9
208.10555	2.4
209.11819	2.9
225.11314	41.4
226.11548	2.7
243.12375	24.3
244.12535	1.5
247.17055	1.0
253.09207	2.3
265.18115	5.4
291.19699	1.6
309.20718	2.6
461.20230	2.9
479.21231	9.1
659.32709	0.9
706.85602	0.9
727.39069	100.0
728.39404	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.2
59.01381	17.5
61.98830	19.3
63.53777	0.8
69.03468	1.3
71.01381	8.8
71.05032	4.3
71.54192	1.0
73.78263	0.8
78.91892	5.9
78.95896	2.4
83.01366	0.9
83.05027	1.4
85.02931	2.0
89.02442	2.7
95.05020	2.1
96.96015	2.9
97.02946	2.7
97.06585	7.2
99.00882	23.2
101.02437	4.5
109.06573	1.9
110.03763	1.3
113.02441	2.3
121.10217	0.9
123.08157	1.5
125.09743	5.3
135.08157	1.9
142.02681	1.9
152.99574	1.1
153.09196	4.4
163.11290	8.8
171.10260	4.9
181.10823	1.3
181.12335	16.1
197.08130	3.8
197.11798	2.8
198.12222	1.0
199.13387	11.4
207.10257	25.6
207.13901	1.3
208.10602	1.1
209.11818	1.0
215.09172	1.5
225.11310	43.6
226.11665	2.6
235.08247	1.2
243.12370	22.4
244.12552	1.0
247.16942	1.1
253.09178	3.0
265.18100	4.1
283.19165	1.9
293.21408	3.9
317.16098	1.2
403.10001	0.9
451.18134	1.2
461.20233	5.3
479.21234	13.6
480.21518	1.7
622.11743	0.9
727.39032	100.0
728.39374	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31517	0.8
52.59253	0.7
53.00099	0.7
55.01870	1.1
57.03427	1.1
59.01381	13.0
61.98829	11.9
68.99564	1.1
69.86674	4.0
71.01382	7.9
71.05019	2.5
72.64714	0.9
72.99335	1.0
78.91883	3.0
78.95905	1.5
83.05019	2.4
84.31890	0.8
85.02925	1.4
89.02430	2.9
95.04986	1.1
96.96033	4.1
97.02940	3.7
97.06593	4.3
99.00885	18.0
101.02435	3.1
109.06588	1.4
113.02428	3.1
121.10205	1.5
123.08160	2.4
125.09721	5.9
142.02727	1.9
143.07111	5.8
143.91080	1.1
157.19336	0.9
161.04576	0.9
162.97574	0.8
163.11282	8.9
171.10280	1.4
180.86595	0.9
181.08725	2.2
181.12337	17.6
197.11743	1.5
199.13399	13.9
207.08363	1.8
207.10262	31.0
208.10579	2.2
209.11752	1.6
216.61931	0.9
223.13509	0.8
225.11320	43.4
226.11584	1.8
243.12367	27.6
244.12665	1.7
247.16930	2.3
253.09250	2.4
265.18060	2.5
317.16034	1.1
428.15698	0.9
461.20078	3.3
479.21341	12.5
709.37659	3.1
727.39050	100.0
728.39465	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.9
57.03431	1.6
58.00594	1.2
59.01380	36.5
61.98537	1.3
61.98830	18.7
63.99244	1.0
71.01381	100.0
72.01713	1.2
72.99297	2.8
73.02948	6.5
80.91679	5.9
83.01381	4.5
83.05019	0.9
85.02956	16.6
87.00856	1.9
89.02441	13.5
93.82912	0.7
95.01352	2.5
96.95981	1.8
99.00888	3.8
101.02451	19.0
101.56404	0.8
109.80574	0.7
111.00863	2.1
111.72242	0.7
113.02440	12.0
115.00372	14.3
119.03503	6.2
129.01909	1.5
130.07269	0.8
143.03467	1.2
144.21402	0.9
146.93677	0.7
161.04504	4.2
161.42427	0.7
179.05560	1.7
208.25458	0.8
327.21759	3.0
467.30002	7.0
468.30515	1.1
505.82553	0.9
611.34418	2.2
612.34387	1.5
625.32129	1.9
629.35394	94.0
630.35791	19.8
643.34882	0.8
680.63599	1.0
727.35364	54.1
728.35773	15.5
742.89728	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	9.6
61.98831	30.9
67.73658	1.8
70.09717	8.1
71.01373	2.6
87.00877	2.4
88.49302	1.9
88.50042	1.6
93.67822	2.1
96.95977	2.3
96.96890	2.0
101.02422	2.4
152.99640	3.5
169.12315	8.7
171.10266	81.2
172.10594	5.0
197.11815	100.0
198.12126	6.2
215.12866	11.3
219.74344	2.3
223.88646	1.8
235.08292	2.4
249.18567	73.0
250.18872	5.3
253.09241	14.3
329.24319	2.2
433.20825	6.3
477.20105	2.2
586.01636	2.3
606.30664	2.4
709.38068	8.7
727.38995	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	726.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.1
61.98827	100.0
68.31664	0.3
69.19464	0.4
71.01377	0.6
71.53290	0.4
78.95903	3.1
96.96961	0.4
152.99588	3.1
154.72408	0.3
162.84673	0.4
163.74661	0.3
171.10266	4.9
171.89729	0.3
172.10590	0.7
191.05681	0.5
195.10211	0.6
196.10664	0.7
201.11360	0.7
209.11861	2.1
210.12259	0.7
225.11337	1.2
225.22676	0.3
226.11705	0.3
227.12863	0.4
253.09328	0.8
254.21924	0.4
277.21701	2.1
278.21872	0.4
279.23276	1.3
280.23666	1.1
399.14545	0.5
400.14685	0.6
471.16351	0.7
636.35944	0.7
708.38232	1.5
726.38831	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	726.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95657	0.1
61.98829	100.0
62.98539	0.3
65.25214	0.1
69.74998	0.6
70.43494	0.1
74.70102	0.1
162.65024	0.1
381.88126	0.1
491.19794	0.2
663.36035	0.2
726.36060	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	726.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.2
61.98833	100.0
62.91347	0.2
69.41492	0.9
69.41895	0.4
80.68155	0.2
96.96011	0.2
123.51624	0.2
141.02771	0.2
274.91397	0.2
302.26331	0.2
469.35342	0.2
666.39886	0.3
726.32178	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	725.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04424	0.7
57.03418	2.2
59.01384	7.1
59.20055	0.7
61.98827	5.3
70.38386	3.0
71.01380	6.0
73.02939	1.7
75.00871	1.1
75.56126	0.7
78.95908	7.1
80.96539	0.8
85.02937	1.2
89.02426	2.6
95.04962	0.9
97.06602	1.7
101.02441	3.8
113.02425	2.7
119.03487	1.1
123.08134	0.8
125.09715	4.3
128.63371	0.8
139.11299	2.0
139.99582	0.7
141.12865	2.1
146.96538	1.1
152.99588	10.2
155.10727	1.0
161.04527	1.4
167.10786	4.1
171.00581	1.6
171.10333	4.0
181.12263	0.9
185.11813	100.0
186.12218	4.7
201.11293	6.6
207.10176	1.3
209.11853	8.1
210.12074	1.2
225.11328	1.7
229.10739	2.7
235.08139	2.4
253.09221	5.1
253.21526	1.3
255.23172	1.2
261.13281	0.9
277.21707	33.9
278.21994	3.1
279.23254	5.3
280.23318	0.9
447.18689	1.9
456.77585	0.9
465.20084	4.6
471.16183	1.9
489.17529	2.2
507.04181	1.0
546.17810	0.9
555.28436	0.9
565.99457	0.9
707.37744	3.2
725.40973	86.7
726.41351	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.4
59.01374	11.4
61.98828	18.1
65.85408	1.7
69.03451	2.1
71.01362	7.2
73.02921	2.2
78.88454	1.7
78.95902	20.0
85.02957	3.6
89.02444	2.6
91.19209	1.6
97.06572	2.6
101.02441	4.8
110.55833	1.8
113.02505	2.1
125.09730	4.8
139.11259	2.0
146.96597	3.9
152.99603	23.3
161.04582	2.2
167.10800	4.8
171.00705	2.7
171.10242	10.5
185.11829	52.4
186.12157	2.9
199.13455	2.2
201.11330	11.2
209.11841	25.2
210.12183	2.7
225.11330	6.2
227.12831	4.4
235.08174	2.0
243.12302	1.9
253.09280	7.8
253.21698	2.4
259.53070	2.1
261.13004	2.1
277.21735	76.7
278.22037	9.5
279.23297	18.0
453.15353	3.6
465.19754	2.1
471.16269	7.5
489.17432	5.2
689.36798	2.4
707.37567	8.6
708.38831	2.5
725.40741	100.0
726.41125	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19204	0.1
53.49819	0.1
55.17584	0.1
55.56153	0.1
57.03443	0.2
59.01381	27.1
60.01727	0.3
60.18227	0.1
61.98830	0.9
69.25233	1.0
71.01385	1.1
72.99327	0.1
73.02935	0.2
81.34007	0.1
82.39826	0.1
83.01411	0.2
85.02963	0.5
89.02426	0.8
95.01385	0.2
101.02448	1.3
101.06631	0.1
106.90559	0.1
113.02455	1.1
119.03509	0.7
143.03539	0.1
153.17009	0.1
161.04552	0.5
161.37299	0.1
174.46844	0.1
191.05605	0.2
221.06721	0.2
308.14340	0.1
327.21915	0.1
395.29456	0.2
407.29257	0.3
408.76001	0.1
409.31171	0.3
425.30658	0.6
427.32227	0.9
437.30667	0.3
439.32062	0.3
459.35205	0.2
503.33755	100.0
504.34131	20.3
517.35388	0.6
545.34827	1.4
546.35181	0.4
575.36121	0.2
665.39099	0.8
666.38861	0.3
725.41394	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	3.5
61.98828	2.9
63.59445	0.9
71.01371	1.5
73.02962	1.4
78.95905	57.1
93.39281	0.9
96.96980	5.9
102.83476	0.9
109.06598	4.4
125.09732	2.4
126.22157	1.0
127.11273	3.5
137.09702	1.2
144.34041	0.9
152.99596	67.5
153.09207	1.6
156.54375	1.2
163.11276	2.1
171.00618	8.1
171.10280	100.0
172.10623	6.1
181.12376	1.6
199.09796	8.5
199.13380	1.4
201.11354	9.2
207.10269	6.2
209.02193	1.4
215.12823	1.3
225.11374	10.9
227.03285	5.6
243.12325	3.8
245.04289	2.2
253.21729	24.1
254.22032	2.4
261.13358	3.7
279.23093	1.1
307.09482	2.5
335.09061	1.5
361.10696	1.7
379.11673	2.1
381.13464	2.0
397.12601	2.9
399.14230	55.1
400.14484	3.2
427.13538	3.1
441.98355	1.0
453.15317	12.5
471.16394	24.0
472.16891	1.6
489.17380	9.7
490.17822	1.2
538.00244	1.1
635.35693	36.1
636.35956	5.8
689.36475	1.9
701.71924	1.0
707.37433	10.9
708.37982	2.8
725.38373	8.7
726.39142	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	725.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.9
59.01380	36.8
61.08658	0.7
61.98832	9.6
69.03444	3.5
71.01347	3.6
71.05013	2.0
72.99309	0.7
73.02944	1.6
78.95898	1.9
82.27962	0.7
83.05010	1.0
85.02954	1.7
87.00878	1.3
89.02447	2.5
91.39552	0.7
93.23106	0.8
95.01324	0.8
95.05016	1.0
97.02971	0.9
97.06600	2.7
99.08125	0.9
101.02444	3.7
113.02429	2.1
119.03468	0.8
121.10207	2.0
123.08097	1.4
125.06066	1.7
125.09696	1.9
143.07140	7.3
151.11250	1.9
152.99623	0.7
153.12840	1.6
161.04597	1.0
161.09705	2.8
179.10747	6.8
197.11823	84.2
198.12167	3.6
203.14493	0.8
203.17947	1.3
223.09737	1.5
225.11310	1.2
241.10724	4.2
247.17006	5.6
253.09222	3.4
265.18097	2.9
315.13840	0.6
325.21799	0.8
360.69431	0.8
459.18558	1.1
477.19748	3.4
537.79395	0.8
641.40936	0.8
725.37500	100.0
726.37854	23.5
726.50354	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	725.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19152	0.9
57.03429	2.4
59.01382	29.0
61.98834	8.7
69.23383	1.8
69.23782	8.0
71.01388	5.7
71.05023	9.4
73.02919	1.7
78.95901	3.9
79.95706	2.6
83.01411	1.3
83.05026	2.2
83.98147	0.9
85.02917	1.8
89.02428	3.4
93.03442	0.9
96.96015	56.7
96.96989	2.5
97.02953	6.3
97.06593	5.4
98.19872	1.9
99.00874	18.7
101.02422	4.4
109.06593	2.8
110.03761	0.9
113.02430	2.2
117.46094	0.9
119.03450	1.4
123.08168	2.0
125.09745	8.9
135.08148	1.3
136.05266	1.2
142.02634	1.6
151.37218	1.0
152.99535	2.1
163.11267	7.0
171.10181	1.3
179.05530	1.1
179.10797	1.4
181.12331	21.1
182.12617	1.5
197.11760	3.6
199.13405	13.4
200.13828	0.9
207.10251	31.7
208.10490	3.3
209.11833	1.4
221.15437	1.0
225.11308	47.6
226.11594	3.2
233.00887	0.9
243.12370	26.1
244.12701	1.7
245.15292	1.1
253.09138	2.6
263.16473	8.6
279.23721	1.1
307.03360	1.1
317.16049	1.1
397.74951	0.9
461.20267	5.1
479.21234	16.5
480.22125	2.1
536.94177	0.9
624.13074	1.0
627.33844	2.7
665.28094	1.6
725.37469	100.0
726.37958	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	725.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78769	0.5
57.03449	0.8
59.01379	18.3
61.98830	3.9
63.86467	0.6
68.99567	1.5
69.03452	3.3
69.23989	4.8
71.01376	5.4
71.05022	2.6
71.11286	0.6
73.02979	0.8
83.01402	0.7
83.05042	0.8
85.02957	1.6
87.00858	0.8
88.05083	0.6
89.02447	2.1
90.48841	0.6
95.05030	0.6
95.95480	0.5
97.06640	1.0
98.20668	1.1
99.00830	0.6
101.02448	3.9
112.98571	2.0
113.02464	1.9
119.03477	0.7
123.08163	1.4
125.09745	1.7
128.85085	0.6
151.11266	1.5
153.12839	1.5
161.04518	1.2
161.09747	3.4
179.10765	6.0
197.11824	85.8
198.12164	5.9
199.35410	0.6
203.17946	0.9
207.10313	0.6
207.13853	5.1
223.09691	1.2
225.11464	0.7
241.10883	3.4
247.16994	4.8
248.17542	0.7
253.09264	3.7
253.16022	0.7
265.18121	5.5
321.91321	0.6
371.33920	0.7
420.91629	0.7
459.18576	1.1
477.19702	2.3
633.30939	0.7
725.37506	100.0
726.37775	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	725.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	1.2
58.02961	0.7
59.01382	32.0
64.73142	0.6
69.51699	4.6
71.01006	1.3
71.01385	19.8
72.01727	0.8
72.99307	2.4
78.84512	0.6
83.01374	1.5
85.02934	3.6
87.00852	0.6
89.02445	20.8
89.09959	0.6
95.01379	1.7
96.95972	1.3
100.50361	0.6
101.02445	15.0
109.01652	0.6
113.02453	7.4
119.03510	9.0
131.03520	0.9
133.06979	0.7
143.03540	1.0
143.04633	1.1
143.83311	0.6
161.08168	0.8
179.05646	0.8
191.05551	0.8
211.07571	0.7
219.32793	0.6
246.07106	0.7
277.12186	1.8
293.12512	0.7
317.62689	0.7
323.13470	100.0
324.13867	7.1
388.86700	0.6
411.09149	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67464	0.1
56.12792	0.1
60.33006	0.1
61.98832	100.0
69.62676	0.4
69.63090	0.4
74.93626	0.1
78.91862	0.1
80.72174	0.1
98.20631	0.2
110.11722	0.2
162.20898	0.1
220.10426	0.2
243.62256	0.1
381.58676	0.2
452.26447	0.1
552.92511	0.1
724.29370	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73064	0.7
55.01885	0.7
57.03447	0.7
59.01377	2.8
61.98829	100.0
62.98544	0.8
63.94722	0.8
63.99271	0.8
69.03472	0.8
70.96726	1.8
71.01394	3.9
71.05022	2.4
73.02964	0.7
78.12626	0.8
78.91888	9.3
78.95903	0.8
80.91678	3.9
80.96515	3.9
83.05027	0.9
85.02950	1.2
87.00854	0.8
88.98804	1.0
89.02441	1.2
93.03455	1.0
95.05007	0.8
96.95985	0.8
97.02953	1.6
97.06576	1.2
99.00899	2.8
101.02430	1.6
104.34936	0.7
113.02476	1.0
119.03481	0.7
123.08159	2.0
125.09722	2.0
133.10243	1.2
141.09138	0.9
151.11267	3.9
153.12843	3.8
161.09692	1.0
163.11273	2.0
165.08980	0.9
171.10297	0.7
173.09431	1.0
179.10757	2.2
181.08429	0.7
181.12366	3.3
191.05527	1.1
191.06993	0.8
191.10556	1.5
192.37520	0.7
193.08441	3.1
193.12068	3.4
197.11804	8.5
198.12218	1.0
199.13361	1.9
201.08965	1.7
205.08453	1.8
207.10217	4.6
219.09999	36.5
220.10361	1.8
221.11572	19.5
222.11815	1.0
222.43132	0.7
225.00700	1.9
225.11346	4.9
235.09370	1.3
237.11157	1.4
243.12367	2.3
245.07930	0.9
247.09479	7.7
248.10168	0.8
263.09003	21.7
264.09360	1.4
265.10550	35.8
266.10986	1.8
279.12250	0.8
327.21567	0.9
394.08301	0.7
725.29987	95.9
726.30255	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30776	0.2
54.98839	0.2
61.98827	100.0
62.98542	0.2
70.83042	0.2
78.91870	0.2
98.19875	0.4
103.23261	0.2
105.49094	0.2
110.02606	0.2
192.92836	0.2
322.33005	0.2
703.85162	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00031	0.2
61.98830	100.0
91.98175	0.2
160.89981	0.2
354.07877	0.2
587.35266	0.2
640.51544	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.3
58.00598	0.3
59.01379	5.7
61.98825	1.1
69.53933	0.6
69.54340	1.2
71.01380	3.4
71.05040	0.3
72.99304	0.2
73.02942	1.0
78.95907	1.8
80.02676	1.3
81.03452	1.2
82.34460	0.2
83.01376	0.5
83.05017	4.2
84.02173	0.7
85.02967	1.2
87.00860	0.8
89.02457	1.7
94.31101	0.2
95.05032	0.8
96.96978	0.3
97.02946	0.4
101.02452	2.8
101.60468	0.2
105.13317	0.2
109.06625	0.3
113.02434	1.3
119.03458	0.5
124.78468	0.2
125.02444	0.3
125.06078	0.4
135.08136	0.8
143.03491	0.3
145.05016	0.2
152.99573	2.1
161.04575	1.4
161.09686	0.3
163.11313	3.8
164.11626	0.3
165.09111	0.4
165.12836	1.9
179.05585	0.4
181.12373	0.9
187.07642	0.7
189.95636	0.3
191.10759	1.1
207.10217	0.3
207.77101	0.2
209.11816	100.0
210.12154	7.3
210.14206	0.3
223.09760	0.7
227.12891	10.6
228.13176	0.8
235.08211	3.0
236.08519	0.3
245.84550	0.3
253.09296	8.4
253.21700	0.5
254.09698	0.4
277.21710	77.6
278.22073	7.7
279.23148	0.5
445.20828	0.6
451.13702	0.9
469.14697	1.3
687.34937	0.9
705.36053	1.3
706.36023	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	29.3
61.98836	2.7
71.01389	3.0
71.02317	1.0
72.99332	0.5
73.02943	0.7
78.95914	1.8
83.05017	1.4
85.02942	1.2
87.00859	0.5
89.02422	2.5
95.05046	1.1
96.96918	0.5
101.02431	2.4
108.73702	0.5
113.02470	2.5
133.05098	0.5
133.10214	1.4
149.09697	1.4
151.11267	3.4
152.11694	0.5
152.99568	3.1
161.04539	1.6
163.11288	0.7
165.12805	0.6
167.10747	3.4
177.09190	10.7
178.09441	0.8
182.55132	0.5
195.10258	100.0
196.10625	6.0
199.13303	0.8
201.60715	0.5
207.10307	0.9
207.38268	0.5
208.10617	0.7
209.09885	1.1
209.11826	17.4
210.12137	0.8
223.09647	1.0
225.11325	2.9
226.11705	1.7
227.12900	10.6
228.13092	0.7
235.08301	3.2
249.18584	54.2
250.18936	3.7
250.70204	0.6
253.06708	0.8
253.09305	10.2
254.09669	1.0
277.21704	19.8
278.22119	3.2
279.23004	0.7
305.70490	0.5
363.98547	0.5
413.18677	0.6
431.19189	6.5
432.19400	1.0
445.35889	0.5
463.21756	0.9
469.14734	1.0
687.35663	1.0
705.36090	1.0
723.42651	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54190	0.7
59.01379	4.4
61.98826	6.4
78.95903	34.4
80.02683	2.2
81.03448	1.4
82.86565	0.7
83.05032	6.1
84.02166	1.4
89.75298	0.7
96.96966	3.1
125.06033	0.8
146.13466	0.7
150.98064	0.9
152.99580	47.9
163.11304	5.7
165.12828	2.4
171.00664	4.5
191.10841	1.3
209.11821	100.0
210.12135	5.8
227.03255	4.6
227.12888	9.8
245.04364	1.0
253.21721	21.0
254.22089	1.7
275.90491	0.8
277.21634	1.1
279.23087	0.8
363.12183	2.5
395.14816	1.8
437.15894	4.0
455.16830	10.5
469.18875	1.1
487.19492	81.4
488.19791	8.8
524.91180	0.7
613.73010	0.8
657.25708	0.9
661.12421	0.8
691.38196	5.5
692.38635	1.4
723.40881	59.1
724.41241	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	723.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
57.03431	0.5
58.00584	0.5
59.01379	10.6
61.98833	18.4
71.01383	12.4
72.99309	7.2
73.02951	2.3
75.00873	100.0
76.01215	1.1
78.95895	0.8
83.01381	1.2
85.02950	3.7
87.00856	0.6
89.02441	7.7
94.35095	0.4
95.01385	0.8
99.00891	0.8
101.02451	7.6
102.05214	0.4
113.02454	4.9
119.03516	3.4
119.61243	0.4
123.05943	0.4
129.01955	0.5
131.03484	0.4
143.03461	0.5
144.27162	0.5
161.04611	1.3
179.05608	1.1
219.09998	0.9
243.61517	0.4
263.09064	0.8
485.31204	4.8
486.31638	0.8
647.36456	53.0
648.36761	11.0
723.28412	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	723.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92253	0.2
59.01375	1.2
61.98830	100.0
62.98535	0.5
67.01888	0.3
70.29741	1.0
71.01363	1.3
73.02934	0.3
83.94936	0.2
85.02966	0.8
87.00881	0.6
89.02464	0.7
93.03477	1.2
96.96039	0.7
101.02459	0.7
119.03525	0.3
135.04500	0.3
163.04024	0.4
173.04605	1.1
178.02657	0.4
187.09451	0.3
191.05637	1.0
197.11879	0.5
234.07031	0.3
247.01883	0.3
306.07648	0.3
325.20261	0.8
397.13605	0.3
415.15033	0.3
523.42346	0.3
595.26263	0.4
663.36005	1.6
678.80383	0.4
723.28900	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84530	1.2
57.03465	1.8
59.01382	40.1
61.98833	10.6
63.55456	1.2
69.03445	5.4
71.01375	4.2
71.05030	13.2
71.52500	2.0
78.95918	2.1
85.02930	2.2
89.02430	2.9
97.06582	4.5
99.36797	1.3
101.02422	4.8
113.02444	2.5
123.08176	2.6
125.09685	1.7
143.80219	1.5
151.11259	2.0
153.12811	3.2
161.09712	4.6
171.20471	1.3
179.10823	7.9
197.11827	92.6
198.12128	4.7
202.74928	1.3
209.11812	9.9
219.17407	1.9
241.10776	4.2
253.09233	3.8
263.16547	10.0
277.21732	3.7
397.77325	1.4
459.18118	1.8
477.19592	3.4
723.35938	100.0
724.36304	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00607	1.4
59.01381	26.8
59.21570	0.9
61.98829	2.5
62.74556	0.9
69.83914	1.0
71.01384	16.2
72.21694	1.1
81.86058	1.1
85.02959	9.2
87.00893	1.3
89.02450	16.2
93.03466	4.6
96.96013	3.6
100.01819	1.2
101.02435	11.7
111.04498	1.8
113.02407	5.2
119.03517	6.0
119.05019	1.2
122.62324	1.0
127.04002	1.8
144.19563	0.9
149.04539	1.1
163.03949	1.2
164.93726	1.3
173.04527	2.2
183.16800	1.0
191.05612	100.0
192.05946	4.7
197.35439	1.0
206.94948	1.2
230.40170	1.1
337.09268	23.6
337.15009	71.6
338.09604	2.6
338.15332	5.7
483.82813	1.4
572.06439	1.1
706.84235	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56312	1.2
59.01377	21.8
61.98827	6.1
69.45717	4.0
69.46148	3.3
71.01379	14.2
73.02952	1.5
74.04376	1.0
75.71307	0.9
80.18781	1.0
83.01387	1.1
85.02946	7.0
87.00889	2.3
89.02437	13.6
90.24202	1.1
93.03477	4.7
95.01375	1.3
96.96024	7.2
101.02435	9.7
113.02438	5.4
117.54765	1.0
119.03497	7.5
122.37189	0.8
127.04020	1.7
173.04553	1.1
179.05696	1.2
179.11124	1.1
191.05605	100.0
192.05942	4.2
207.98122	1.0
265.10724	0.9
270.80276	1.0
337.09247	24.2
337.15018	65.2
338.09470	2.2
338.15472	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	723.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56312	1.2
59.01377	21.8
61.98827	6.1
69.45717	4.0
69.46148	3.3
71.01379	14.2
73.02952	1.5
74.04376	1.0
75.71307	0.9
80.18781	1.0
83.01387	1.1
85.02946	7.0
87.00889	2.3
89.02437	13.6
90.24202	1.1
93.03477	4.7
95.01375	1.3
96.96024	7.2
101.02435	9.7
113.02438	5.4
117.54765	1.0
119.03497	7.5
122.37189	0.8
127.04020	1.7
173.04553	1.1
179.05696	1.2
179.11124	1.1
191.05605	100.0
192.05942	4.2
207.98122	1.0
265.10724	0.9
270.80276	1.0
337.09247	24.2
337.15018	65.2
338.09470	2.2
338.15472	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	722.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.5
59.72445	0.2
61.98830	100.0
67.69318	0.2
71.01388	0.4
75.00865	1.0
75.21944	0.2
85.02961	0.2
89.02458	0.4
122.05038	0.2
123.33297	0.2
160.48535	0.2
171.10347	0.2
197.11768	0.2
383.13620	0.2
497.27927	0.7
646.35425	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40890	0.1
59.01378	1.0
61.98831	100.0
71.01381	0.8
73.02958	0.2
75.00884	0.6
85.02969	0.1
87.00925	0.2
89.02462	0.4
93.03442	0.1
96.96049	0.1
98.20660	0.4
101.02472	0.5
107.56789	0.1
113.02479	0.4
115.51873	0.1
119.03497	0.1
119.93427	0.1
129.14261	0.1
179.60612	0.1
191.05623	0.2
225.11179	0.1
267.12469	0.1
273.17206	0.2
325.20093	0.3
497.27771	0.4
662.35132	0.2
723.34558	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	721.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.1
60.99308	17.3
61.98532	0.7
61.98829	7.5
69.17075	1.0
69.17497	3.1
70.15617	0.4
71.01381	1.0
79.17902	0.4
84.70402	0.4
87.00835	0.4
88.00375	0.9
88.80526	0.4
88.98808	100.0
89.02446	3.4
89.99129	1.1
217.00340	0.3
351.24756	0.4
419.11172	0.4
467.06085	0.4
532.55469	0.6
631.37061	1.7
632.37268	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13259	3.0
57.13124	2.8
57.28559	2.8
59.01372	13.5
61.36597	2.9
61.98829	100.0
67.22156	2.9
71.01376	13.0
73.02955	4.6
75.00861	10.9
85.02952	3.3
89.02453	7.2
93.03448	4.5
101.02439	7.5
103.16623	3.4
116.28394	3.1
133.02946	6.2
164.65718	3.5
351.06998	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	721.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.4
59.01374	5.8
61.98829	22.7
71.01379	5.3
71.05025	3.4
72.99306	0.6
73.02945	1.1
75.00880	2.9
80.96507	1.6
81.03452	1.1
83.01380	1.0
83.05022	4.2
85.02959	1.5
87.00905	0.9
88.98816	0.9
89.02448	2.3
92.90766	0.5
94.30607	0.6
95.05055	1.0
96.96053	0.7
97.02957	3.1
97.06587	3.1
99.00268	1.4
99.00878	16.2
101.02444	2.4
109.06606	1.1
113.02435	1.9
119.03513	0.8
123.08146	1.8
125.09702	6.9
127.11277	0.7
135.08159	1.0
142.02739	0.9
151.11333	0.7
153.12805	0.8
161.09637	0.8
163.11287	10.6
163.46815	0.6
165.12833	1.8
171.10297	1.3
179.10678	0.7
181.12323	17.0
182.12642	1.0
191.05533	0.7
197.11795	2.5
199.13388	10.0
207.10257	25.9
208.10596	1.9
209.11815	34.3
210.12154	2.8
221.18893	0.6
225.11317	34.8
226.11613	2.2
227.12868	2.2
243.12367	19.0
243.14189	0.4
244.12683	1.3
253.09193	1.6
386.36917	0.6
459.97882	0.6
461.20175	2.1
471.41580	0.7
475.89325	0.7
479.21350	7.4
480.21362	1.0
645.34302	1.4
671.33160	2.5
689.33887	100.0
690.34271	21.0
721.25970	1.6
721.30072	0.9
721.37604	3.6
722.37091	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15798	0.2
59.01379	3.2
60.01702	0.4
61.98831	100.0
69.73318	0.2
71.01383	0.2
71.01923	0.4
78.95907	1.4
86.54686	0.2
102.20575	0.2
117.53237	0.2
118.69932	0.2
140.01227	0.7
142.86626	0.2
144.58783	0.2
152.99590	0.4
154.92329	0.2
161.60117	0.2
171.10301	1.1
172.10577	0.2
196.03831	0.3
201.11424	0.4
207.10324	0.6
221.86781	0.2
225.11334	1.2
249.18599	0.2
253.09384	0.4
255.23372	0.6
256.40704	0.2
277.21765	0.8
278.36523	0.2
279.23288	4.8
280.23932	0.2
367.16602	0.2
412.80524	0.2
483.27454	0.3
499.13861	0.4
513.16559	0.4
514.17535	0.2
570.19061	0.5
573.18127	0.3
574.18616	0.4
600.21948	0.3
601.21899	0.3
602.21906	0.8
630.37848	0.4
657.22015	0.2
660.22461	0.6
720.23627	3.8
721.22791	0.8
721.41321	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71486	0.2
54.74516	0.1
60.99304	0.3
61.98829	100.0
66.24043	0.1
75.16051	0.2
88.98808	0.8
125.79699	0.2
132.16504	0.2
146.51146	0.2
191.05656	0.2
239.25644	0.2
286.15109	0.2
371.22571	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61705	0.6
52.44210	0.6
57.03455	0.7
59.01075	0.6
59.01381	14.3
61.98830	100.0
69.03471	0.8
71.01379	10.4
71.05019	1.5
72.99314	2.6
73.02951	1.0
75.00873	29.7
79.24434	0.6
83.05030	0.7
85.02969	1.7
87.00877	1.0
89.02445	9.2
91.65347	0.6
95.05038	0.6
96.95977	0.8
97.02954	1.6
97.06598	1.2
99.00868	6.8
101.02444	5.9
113.02463	4.5
119.03500	4.8
125.09718	2.6
127.11242	0.6
131.03497	0.7
143.03520	1.2
144.60754	0.6
161.04565	0.9
162.80426	0.6
163.11285	4.0
169.12390	1.2
171.10223	6.0
179.05623	2.8
181.12343	6.5
182.59695	0.7
191.05472	0.6
197.11819	8.7
199.13368	5.7
201.11392	2.5
204.40443	0.6
207.10248	10.1
215.12886	1.1
225.11322	16.8
225.13538	0.9
226.11652	1.0
243.12386	8.0
253.09357	0.8
323.18677	0.9
461.20511	0.8
465.28107	0.8
479.21417	3.4
483.29837	0.7
633.31268	10.4
633.40863	0.9
634.32245	2.1
645.34943	8.8
646.35120	1.3
659.32910	15.9
660.32837	3.2
661.35876	0.9
677.34167	5.8
678.34418	1.3
685.31018	1.1
686.31177	0.9
703.32086	5.2
704.32745	1.2
721.32898	13.2
722.33160	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	719.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.8
59.99341	0.6
60.99306	17.2
66.49574	0.4
69.28430	0.4
71.01385	1.8
79.91473	0.4
84.41299	0.4
85.02969	1.1
87.00877	6.3
88.00417	1.0
88.01228	0.4
88.02396	0.4
88.98806	100.0
89.02443	21.9
89.03004	0.9
89.99136	1.0
90.02723	0.5
98.20268	2.9
101.02449	1.5
113.02481	0.5
119.03475	0.4
127.44814	0.4
134.43800	0.4
169.41023	0.4
180.67865	0.4
190.81493	0.5
197.03590	0.4
202.06374	0.4
245.03569	0.4
336.03229	0.5
521.38452	0.5
629.35510	9.4
629.44427	0.4
630.35706	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	719.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.0
59.01384	7.0
59.59201	1.0
61.98829	6.1
69.03438	4.9
69.45415	5.7
71.01389	5.3
71.04996	2.1
72.99306	1.9
73.02922	1.7
81.03448	2.0
83.01400	1.1
83.05029	3.8
84.02142	1.2
85.02946	2.2
88.98798	1.8
89.02429	3.4
89.69048	1.0
92.31197	1.0
96.96034	1.1
97.06551	1.9
98.20008	1.7
98.20620	2.3
99.00904	1.1
101.02459	5.6
113.02450	3.0
119.03522	1.1
123.04616	1.0
125.09709	2.4
135.08205	1.0
140.23788	1.0
144.17958	1.1
151.11243	2.7
151.48616	1.1
153.12845	2.0
161.04581	2.1
161.09673	3.9
163.11316	4.9
163.80713	1.1
165.12843	2.3
179.10791	7.3
197.11835	75.2
198.12102	3.8
207.10258	1.3
209.11830	54.2
210.12160	4.4
227.12799	2.3
241.10754	3.9
253.09261	3.3
283.91138	1.0
477.19775	3.0
687.32294	100.0
688.32605	22.5
694.38892	1.1
719.23151	1.7
719.35016	26.1
720.34796	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	719.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.3
60.99306	16.6
69.37194	2.4
69.37608	1.1
71.01379	1.4
83.61403	0.4
85.02964	0.9
87.00886	4.2
88.00412	1.3
88.01239	0.9
88.23795	0.4
88.98807	100.0
89.02442	21.0
89.03013	0.9
89.99152	0.8
101.02407	0.9
119.03465	0.5
143.03369	0.4
170.79109	0.5
199.60202	0.4
230.04709	0.5
386.08218	0.4
467.29944	0.7
627.97644	0.5
629.35455	10.1
630.35883	1.9
631.35571	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.3
55.96715	0.4
57.03423	0.6
58.00590	1.1
59.01381	18.3
60.99306	1.0
61.98821	1.6
69.03452	1.2
71.01382	36.1
72.01716	0.6
72.21912	0.4
72.99304	1.6
73.02949	6.0
75.00874	0.4
83.01383	2.9
85.02958	6.9
86.00087	0.7
87.00869	3.5
87.04527	1.1
88.04044	28.2
88.98817	7.0
89.02449	7.0
95.01387	1.0
96.99322	0.7
97.02946	1.2
99.00921	0.7
101.02443	18.7
102.02858	0.4
103.04011	1.4
113.02440	5.9
115.00375	13.1
115.04008	1.6
119.03519	2.1
125.02428	0.6
131.03513	2.7
132.03043	3.6
137.04126	0.5
143.03525	2.7
161.04549	1.4
163.06161	0.6
205.07147	1.8
222.18614	0.7
223.16991	1.0
247.08249	0.9
277.21750	2.3
295.22717	1.3
322.95895	0.4
439.26904	0.7
456.29547	1.2
457.28214	2.2
528.31360	0.6
602.35364	4.1
603.33966	15.5
604.33972	3.8
674.37549	1.8
700.35187	1.9
718.36511	100.0
719.36871	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	717.37
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.5
57.03445	2.5
59.01381	87.4
59.21834	2.2
60.99308	18.1
61.98836	10.2
71.01005	3.3
71.01385	44.0
72.99337	2.4
73.02936	14.7
83.01398	6.0
85.02956	26.0
87.00874	7.1
87.72974	2.1
88.98808	92.6
89.02435	12.6
95.01379	4.7
97.02945	3.8
99.00893	5.8
101.02445	28.3
111.00875	3.1
111.10142	2.1
113.02450	20.3
115.78074	2.1
118.55703	2.1
119.03530	2.5
124.01618	2.0
125.02357	2.5
129.01927	2.5
143.03488	6.0
159.02905	2.6
161.04579	4.9
162.58179	2.4
171.10222	2.9
232.66557	2.0
238.47357	2.0
244.65671	2.0
276.07080	2.7
408.00888	2.3
445.20084	2.3
451.30673	3.0
469.31369	9.6
547.95972	2.5
613.35907	100.0
614.36096	20.9
631.37006	76.0
632.37085	13.8
673.37860	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	717.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92873	1.0
59.01372	5.4
59.73888	0.9
61.98826	4.1
70.87413	2.1
71.01381	4.6
85.02946	1.7
89.02432	2.4
93.03455	3.0
96.95998	2.0
101.02415	3.3
106.06618	3.6
108.02170	5.3
111.00880	1.0
121.02985	7.5
122.03751	8.9
123.04516	4.6
131.05045	1.6
132.02193	2.4
133.02948	7.6
134.03729	1.8
134.06128	2.1
135.04506	1.1
136.01666	1.7
145.02953	1.6
147.04524	14.3
148.05215	2.0
149.01286	1.5
149.02441	20.9
149.06039	5.3
150.03230	63.7
151.03673	3.1
152.01147	11.0
158.03691	2.5
159.04518	5.7
160.05304	13.1
161.06046	5.8
162.03169	1.3
163.04012	4.1
164.04787	10.1
165.05565	45.5
166.05902	1.7
167.03502	24.2
170.89450	1.1
173.06081	5.1
175.03975	1.7
175.07614	15.2
176.04813	5.9
176.07890	1.1
177.05540	9.7
178.06291	4.0
179.72813	1.1
180.04271	3.3
191.05562	3.7
191.07193	1.7
192.07791	1.0
193.08699	2.6
195.06607	18.9
200.81651	1.0
266.06760	1.6
269.08014	1.2
270.09012	2.1
281.09177	4.1
282.09564	4.3
293.09323	1.7
294.09644	1.8
297.11401	1.5
313.12082	1.3
315.12552	2.4
329.13907	30.9
330.14331	2.3
359.15115	2.5
383.14871	1.2
432.15875	1.5
447.18082	5.7
459.18314	3.0
460.18094	1.4
477.19171	100.0
478.19547	17.3
507.20267	14.3
508.20428	3.0
525.21283	50.0
526.21661	9.0
537.21289	1.9
555.22308	19.6
556.22626	3.1
608.22339	1.4
609.22858	9.0
610.23169	1.5
641.24670	1.5
653.21613	2.0
669.25891	1.3
685.24487	10.8
686.24615	1.7
704.95392	1.2
717.26996	3.6
729.28607	1.3
749.31360	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	717.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97618	0.8
59.01382	100.0
60.01690	1.1
61.98831	32.9
71.22441	0.8
78.95878	1.7
88.07175	0.8
92.44474	0.9
98.19849	2.0
209.28557	1.0
249.18622	1.3
277.21637	2.4
426.72388	0.9
441.15430	1.4
453.11908	1.8
453.91495	1.0
457.19070	2.0
459.16574	1.8
467.13675	1.1
481.10760	4.3
482.12061	1.7
495.17163	1.5
496.13794	15.1
497.14404	11.0
498.15265	4.1
510.15558	3.7
511.15979	9.2
512.17163	4.1
513.18097	4.3
523.16248	1.1
528.12128	1.0
530.14880	1.2
538.15326	1.3
539.18994	2.8
542.14838	0.9
544.15875	6.2
545.16412	2.5
567.18628	11.0
568.19061	4.4
570.17615	1.6
571.18268	13.0
572.18945	3.0
583.18170	1.7
589.19196	1.5
597.19757	2.4
598.20599	3.3
599.21503	37.9
600.21838	12.1
602.16467	2.4
603.17010	1.1
630.19366	1.2
631.20087	1.8
657.21918	19.5
658.22345	5.0
717.24170	87.2
718.24420	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	716.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.1
61.98831	100.0
62.98539	0.2
70.19759	0.1
71.01416	0.1
78.95912	0.1
86.27560	0.1
89.02481	0.1
139.10033	0.1
209.11897	0.1
226.18498	0.1
251.20248	0.1
255.23276	0.2
256.23859	0.1
267.64377	0.1
299.26425	0.1
397.13654	0.1
398.14273	0.1
399.14340	0.1
500.88687	0.1
558.74316	0.1
612.17523	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	716.407
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38157	0.1
59.01382	0.2
61.98829	100.0
62.98559	0.1
62.99248	0.1
74.22355	0.1
75.00848	0.1
87.00895	0.2
88.98820	0.4
98.20746	0.2
105.01949	0.4
129.38113	0.1
150.01805	0.1
191.20270	0.1
218.03352	0.1
276.54950	0.1
322.55984	0.1
612.34613	0.1
614.37097	0.1
653.41956	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	717.241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45245	0.8
59.01379	48.1
61.12200	1.0
61.98830	100.0
78.94273	0.8
78.95872	1.6
88.62866	0.9
93.58902	0.8
113.02396	1.1
125.09705	4.3
152.99559	1.5
187.09746	2.1
201.11353	2.0
209.11819	5.2
210.12189	1.8
251.20079	3.0
252.20450	1.4
277.21729	1.1
453.12405	1.1
482.11697	1.2
496.13934	6.9
497.14261	2.7
509.18097	1.4
510.15469	2.9
511.16385	4.7
512.17285	1.0
513.17688	1.6
539.18433	1.3
567.18701	6.7
570.17505	1.8
571.17889	4.6
598.20776	1.6
599.21381	16.8
600.21869	4.6
602.16455	1.9
625.19604	1.8
630.19037	1.5
631.19641	1.6
655.37000	11.6
657.21942	11.6
658.22107	3.1
717.24176	40.4
718.24414	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	716.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95681	0.1
59.01380	1.0
61.98829	100.0
62.98539	0.2
68.45233	0.1
71.01391	0.2
78.95923	0.1
83.23747	0.1
89.02439	0.1
101.02438	0.2
111.63655	0.1
132.00829	0.1
132.26404	0.1
201.11412	0.3
203.82051	0.1
209.11827	0.5
209.97664	0.1
210.12219	0.3
242.82700	0.1
251.20232	0.4
252.20473	0.1
256.23624	0.2
331.26630	0.1
362.20804	0.1
397.13461	0.1
399.14120	0.2
400.14526	0.1
405.91788	0.1
474.04590	0.1
496.14157	0.1
519.81464	0.1
544.16492	0.1
599.21844	0.4
653.26007	0.2
657.21912	0.1
717.23987	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.5
61.98830	100.0
62.98537	0.2
71.01387	0.2
89.02441	0.1
108.93770	0.1
129.29776	0.1
143.96478	0.1
201.11397	0.1
209.11877	0.3
210.12245	0.2
216.83411	0.1
238.46033	0.1
251.20253	0.3
252.20496	0.2
253.09218	0.1
255.23622	0.1
256.23651	0.2
257.23874	0.1
269.24463	0.1
399.14124	0.1
400.14569	0.1
404.18524	0.1
567.19012	0.1
599.21997	0.1
615.19806	0.1
657.23694	0.1
663.06171	0.1
687.73987	0.1
717.24060	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.4
58.00583	0.5
59.01381	100.0
60.01723	1.0
61.98833	3.5
69.03451	0.5
71.01385	9.8
71.53913	0.5
72.99316	0.9
73.02952	0.7
75.00893	0.3
81.03506	0.4
83.01410	0.6
83.05031	0.3
85.02966	2.1
87.00894	1.0
88.98806	0.4
89.02448	16.2
93.03469	1.3
95.01443	0.4
96.96029	0.8
97.06612	0.5
99.00914	0.7
101.02444	7.9
107.01408	0.4
113.02460	5.5
116.92890	0.9
119.03506	7.7
125.02446	0.5
128.03558	0.4
131.03531	1.2
133.02991	0.4
135.04576	0.6
143.03502	2.3
149.04561	1.1
150.03220	0.9
151.00395	1.4
151.04010	0.6
161.04556	3.3
163.37697	0.3
165.05598	0.6
173.04533	1.7
174.15443	0.3
178.99831	1.5
179.05627	7.5
191.05603	3.1
195.06648	0.5
199.13414	0.5
225.11334	0.6
246.72069	0.3
257.34293	0.4
282.43356	0.3
297.18723	0.9
299.20117	2.4
305.15829	0.3
323.20389	1.0
341.21170	3.1
454.15656	0.6
454.65533	0.4
463.16287	1.4
479.21490	0.3
505.18909	0.9
535.18658	0.4
539.28601	6.5
539.36517	0.5
540.29413	1.0
543.68414	0.5
634.22223	1.1
634.72412	0.7
655.36902	2.8
677.34241	0.7
679.35150	2.3
680.36243	0.7
715.33685	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17229	0.4
55.01870	3.1
57.03448	3.6
58.00584	2.2
59.01380	100.0
60.01717	1.6
61.28830	0.4
69.03456	0.9
71.01382	50.0
72.99300	2.8
73.02946	10.7
75.00868	0.7
81.00903	0.4
83.01392	6.5
85.02950	24.9
86.00127	0.7
87.00873	4.0
89.02447	21.1
95.01402	5.4
97.02943	2.5
98.19866	1.0
99.00877	4.4
101.02446	26.7
102.02788	0.7
111.00877	2.7
112.01674	0.8
113.02450	27.8
114.02779	0.5
115.04029	0.6
116.47563	0.4
116.82433	0.5
119.03499	7.3
123.65078	0.5
124.01672	2.3
125.02440	3.6
129.01923	1.4
131.03545	0.8
142.02756	0.8
143.03491	5.2
158.46027	0.6
159.03014	1.3
161.04549	7.2
162.75700	0.5
179.05612	1.9
278.26349	0.4
400.62204	0.5
449.28848	2.7
467.30017	6.3
468.30057	0.6
509.31470	0.5
537.30615	0.5
547.32886	0.6
563.31958	0.6
575.32178	1.1
611.34338	77.9
612.34680	17.8
621.75616	0.5
629.35400	70.2
630.35724	14.2
671.36169	7.7
672.36456	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	714.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
67.07021	1.0
69.17284	9.2
73.44084	0.8
74.78716	0.9
78.95921	2.6
90.60676	0.8
98.19811	1.8
101.54248	1.0
110.10566	1.0
116.92795	0.8
152.99599	1.0
230.29526	0.8
238.03473	0.9
310.22620	1.0
323.51169	0.9
614.94672	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.8
58.02980	6.8
58.99585	0.6
59.01114	0.7
59.01381	11.3
61.98831	5.9
62.08774	0.5
63.99251	0.6
70.02958	0.8
70.53660	1.6
71.01382	4.7
73.02936	1.0
74.02473	13.8
75.00855	0.7
78.95907	0.7
80.05035	1.1
82.02991	2.6
83.01376	3.2
84.00909	1.0
84.04532	0.7
85.02945	2.3
85.04056	1.6
86.02473	0.7
86.06121	1.0
87.05640	5.0
89.02438	1.2
90.00195	0.6
96.04562	7.4
96.96005	0.7
97.04086	6.9
98.02485	4.1
99.00863	0.7
99.05640	9.6
100.00405	1.9
101.02422	4.3
108.04560	6.7
109.04044	1.5
109.04768	0.5
110.02484	2.0
110.06123	0.8
112.04046	9.6
112.07676	9.0
113.02422	1.9
113.03568	4.3
113.04251	0.8
114.05605	0.9
116.01751	0.7
117.89929	0.5
120.04507	0.5
122.06136	3.1
124.04058	6.9
125.02412	0.7
125.03534	2.2
125.04831	3.9
126.04362	1.0
126.05618	1.5
127.05145	9.9
131.04620	1.3
137.07231	3.2
138.05589	2.1
139.08743	1.0
140.07175	12.4
142.03314	1.5
143.03606	0.8
143.04604	3.1
147.32631	0.5
150.04350	1.1
152.03558	4.1
153.06650	0.8
155.07016	1.2
155.08261	22.5
156.08653	0.9
160.00722	1.7
161.04556	0.7
165.06683	14.4
166.05067	1.7
167.04582	0.7
169.06178	1.3
171.10225	1.4
177.03406	1.2
181.06107	0.8
183.07748	30.7
184.08139	1.4
186.02341	0.7
197.05748	0.9
209.05661	0.7
209.11801	0.6
215.06735	2.4
225.05113	1.7
227.06734	79.3
228.07065	4.4
261.05496	100.0
262.05820	4.3
304.11816	0.6
304.15506	0.6
467.30035	0.9
541.11230	0.7
611.34363	2.6
612.34540	0.7
613.36420	1.6
629.35516	2.5
630.36249	1.0
637.53485	0.7
668.60083	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20851	0.3
52.41974	0.2
62.75888	0.3
71.30841	0.5
83.05006	0.3
92.70863	0.3
94.65184	0.3
107.75526	0.2
225.16031	0.6
290.54852	0.3
320.46600	0.3
654.75543	0.3
677.49744	3.6
678.49994	0.8
713.47345	100.0
714.47638	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19275	0.8
58.00581	1.0
59.01376	9.2
61.98836	6.2
69.03481	1.1
69.25449	6.5
69.25844	2.2
71.01385	8.5
71.05023	1.7
71.42339	0.9
72.99316	1.7
75.16516	0.9
78.95896	1.5
85.02937	1.7
89.02446	3.5
97.02950	4.0
97.06576	1.4
99.00877	12.3
101.02456	5.7
113.02464	2.0
125.09738	6.2
127.11309	1.5
154.12001	0.9
161.04533	1.6
163.11214	5.8
166.92514	0.9
171.10265	3.2
181.12341	11.3
197.11887	1.7
199.13397	19.6
200.13785	1.5
207.10251	29.4
208.10564	1.8
209.11986	1.2
225.11311	53.1
226.11636	3.7
235.08180	1.1
243.12383	13.2
247.56776	0.9
251.20168	33.6
251.36046	0.9
252.20444	2.7
253.09331	2.3
255.23184	2.6
277.21570	1.3
278.22009	1.2
397.13605	4.9
441.09033	1.0
443.19440	1.0
461.20322	9.7
462.20474	1.1
479.21591	4.3
511.69760	0.9
607.54022	1.0
631.59003	1.0
695.40552	4.5
696.40466	2.2
713.41138	100.0
714.41406	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38861	0.6
59.01380	6.3
61.98832	20.7
71.01376	3.7
73.02960	1.1
80.02715	0.7
81.03442	1.4
83.05022	2.6
87.00845	0.6
89.02443	3.3
98.19855	1.3
101.02446	3.0
113.02429	2.0
116.92886	0.8
125.09728	1.9
127.11275	2.4
139.11307	0.7
155.10783	1.0
161.04564	2.3
163.11276	2.7
165.12856	1.6
171.10202	1.5
191.05641	0.9
191.10851	1.0
199.09781	1.5
201.11325	43.9
202.11639	2.9
206.01173	0.7
209.11818	100.0
210.12134	5.6
225.11475	1.2
227.12929	12.0
228.13109	1.2
229.03609	0.8
235.08241	2.6
249.18582	65.6
250.18953	7.3
253.09297	14.4
254.09526	0.8
276.25381	0.8
337.44470	0.8
340.12387	0.7
379.21234	0.7
415.28116	1.0
437.20233	1.4
445.20837	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	713.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.6
57.03428	1.4
59.01118	0.6
59.01379	9.8
61.98828	3.9
67.56892	0.5
70.28019	1.6
71.01377	5.8
71.05034	2.9
73.02943	0.9
83.01364	0.8
83.05012	2.0
85.02921	1.7
87.00839	0.7
89.02438	4.1
97.02962	3.6
97.06575	3.3
98.19850	0.5
99.00877	21.0
101.02432	3.7
109.06544	1.0
110.03754	0.7
113.02439	3.0
116.27935	0.6
119.03484	1.5
123.08150	2.2
125.09723	7.6
131.24219	0.6
134.19934	0.6
134.78545	0.6
135.08102	1.1
142.02670	1.1
145.93886	0.6
155.07095	0.8
155.14433	1.0
161.04492	1.0
163.11285	9.8
163.20934	0.6
171.10292	2.9
173.08139	1.3
173.65221	0.6
179.05609	0.8
181.08763	3.9
181.12337	17.8
182.12663	0.9
197.11742	2.0
199.13377	12.0
207.10254	29.3
208.10606	1.8
209.61589	0.7
225.11317	48.2
226.11623	2.5
235.08228	1.2
243.12358	25.8
244.12706	1.2
249.18517	0.9
251.20148	20.8
252.20465	2.2
253.09279	3.7
274.80954	0.6
277.21725	10.4
278.21985	1.6
461.20172	4.5
462.21237	0.7
479.21378	12.7
480.21887	0.8
591.22131	1.1
642.62634	0.5
649.23193	3.3
650.23737	2.1
651.24829	1.1
681.25671	4.8
682.26074	1.7
713.41095	100.0
714.30115	0.8
714.41437	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	1.1
57.03446	2.6
57.86026	0.8
59.01380	100.0
60.01711	1.3
61.98830	17.4
65.20132	0.8
69.03452	1.3
71.01382	22.0
71.43578	0.7
71.53859	1.4
72.99283	1.2
73.02946	6.7
75.39523	0.8
81.25240	0.7
83.01392	2.9
83.27431	0.7
85.02953	11.5
87.00867	2.7
89.02454	6.8
95.01396	2.6
96.77082	0.8
97.02952	2.5
99.00882	2.9
101.02449	10.4
103.43064	0.7
111.00861	1.6
112.01536	0.7
113.02459	18.1
119.03499	2.9
122.07907	0.9
124.01643	3.3
125.02470	5.9
143.03499	4.7
150.16258	0.8
157.58098	0.7
161.04538	5.1
169.12482	0.8
171.10237	0.9
197.11868	1.9
204.25616	0.8
225.11369	0.9
253.17972	0.9
255.15912	0.8
373.13110	0.9
449.29037	2.3
467.29904	1.9
537.30621	0.9
575.31909	1.0
593.33197	10.9
594.33661	2.2
611.34326	45.1
612.34680	9.1
629.35382	18.9
630.35864	2.6
653.35156	2.8
671.36694	5.3
672.36731	1.7
713.37189	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	713.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.3
57.03449	1.7
57.46766	0.3
58.00588	0.6
59.01378	100.0
60.01716	1.5
69.03452	1.2
69.18861	2.9
71.01381	23.4
72.01707	0.3
72.99314	1.0
73.02945	5.2
75.00873	0.5
81.03403	0.3
83.01389	3.2
85.02952	11.3
86.00101	0.4
87.00879	1.8
89.02444	8.2
90.07437	0.3
95.01389	3.1
97.02946	1.7
99.00887	2.1
101.02439	11.2
111.00881	1.0
112.01685	0.6
113.02448	18.9
114.02778	0.7
115.03994	0.4
119.03491	3.1
124.01669	4.4
125.02450	5.7
129.01933	0.5
131.03479	0.5
142.02721	0.5
143.03497	4.2
148.68182	0.3
149.04503	0.3
159.02968	0.5
161.04559	3.8
179.05663	0.7
260.86148	0.3
449.28958	2.4
450.29666	0.4
467.30142	2.3
468.30331	0.4
509.31427	0.6
533.31439	0.3
545.32025	0.3
547.33014	0.4
557.30969	1.0
575.32227	1.7
593.33307	9.6
594.33557	2.2
611.34314	43.7
612.34656	8.4
629.35376	16.7
630.35779	3.5
653.35468	2.8
654.36169	0.6
671.36481	6.9
672.36780	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69089	0.3
50.99112	0.3
52.74615	0.3
55.01877	1.4
57.03441	1.8
58.00597	0.6
58.22280	0.3
59.01377	100.0
60.01709	1.0
61.98830	2.1
67.01886	0.3
68.99568	0.5
69.03473	1.1
70.85162	0.5
71.01380	23.2
72.99305	1.5
73.02943	5.2
75.00888	0.4
83.01385	3.0
85.02946	10.1
86.00063	0.5
87.00874	2.0
89.02444	7.4
95.01385	3.4
97.02972	2.1
99.00870	2.5
101.02440	11.6
111.00858	0.4
112.01685	0.8
112.98602	0.7
113.02445	18.8
114.02767	0.5
115.04009	0.6
119.03493	2.7
124.01661	4.3
125.02451	5.7
129.01939	0.4
142.02736	0.7
143.03477	4.1
159.03056	0.6
161.04550	3.7
179.05663	1.0
221.63860	0.3
251.08876	0.3
308.60956	0.3
449.29108	2.4
467.30182	2.6
491.29559	0.4
519.29510	0.5
545.31183	0.6
557.31409	1.0
575.32428	1.5
593.33301	11.2
594.33685	2.1
611.34308	47.7
612.34674	9.4
629.35388	15.9
630.35809	3.3
653.35327	2.7
654.36157	0.5
671.36487	7.6
672.36719	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.5
55.85847	0.2
57.03432	1.3
58.00589	0.7
59.01377	100.0
59.44626	0.2
60.01717	1.2
67.01890	0.3
69.03454	1.1
69.25282	2.3
71.01378	21.4
72.01721	0.5
72.99307	1.2
73.02942	5.5
75.00873	0.7
81.03501	0.3
83.01395	2.7
85.02950	11.3
85.03469	0.6
86.00105	0.5
87.00876	1.7
89.02445	7.5
89.54620	0.3
95.01392	3.2
97.02947	2.1
99.00874	2.9
101.02438	10.4
102.02769	0.3
111.00878	0.9
112.01712	0.7
113.02448	17.8
114.02795	0.6
115.04021	0.6
119.03496	2.8
124.01655	3.7
125.02451	5.0
129.01991	0.5
141.01915	0.3
142.02710	0.4
143.03493	4.3
159.03035	0.5
161.04541	4.3
179.05597	0.5
185.04433	0.3
214.93387	0.3
397.27444	0.3
449.29047	2.5
467.29987	2.7
468.30453	0.4
519.04211	0.3
519.29602	0.4
545.31061	0.5
547.32721	0.4
557.31171	1.1
563.32434	0.3
575.32306	1.6
576.32275	0.4
593.33289	11.5
594.33759	2.4
611.34326	46.1
612.34631	10.8
612.44617	0.5
629.35370	17.3
630.35596	3.3
634.59058	0.3
653.35260	3.5
654.35858	0.8
671.36383	7.4
672.36578	1.7
713.37384	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87476	4.0
59.01378	100.0
61.98531	6.7
61.98828	80.4
71.01386	71.9
71.54427	4.7
72.99297	6.9
73.02946	9.5
82.68217	4.4
85.02948	22.8
87.00870	7.0
88.98788	12.9
89.02442	81.5
93.03487	6.0
95.01382	5.7
95.05041	4.7
99.00858	13.1
99.04500	6.0
101.02445	61.1
113.02454	42.6
119.03506	57.2
122.26561	4.3
126.51701	4.1
128.03604	5.6
131.03476	8.0
143.03488	7.2
143.73532	4.0
151.22586	4.5
161.04539	16.8
173.04565	8.9
173.35620	4.9
177.04002	5.0
179.05632	31.2
181.12292	5.6
191.05623	19.3
199.13394	7.4
207.10316	24.5
213.01793	4.3
225.11263	30.2
226.16214	4.6
243.12357	98.5
244.12497	6.4
332.83539	4.7
426.07092	5.2
435.17841	14.2
497.27585	8.5
515.28394	19.8
516.28699	5.0
643.33014	15.6
659.32703	9.9
677.33868	77.7
678.33838	15.0
713.31610	37.0
713.47333	98.8
714.32159	9.7
714.47797	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	712.5359
Annotation	Soyacerebroside I
Peak:m/z	Relative Intensity
57.03443	1.8
58.00588	5.9
59.01380	100.0
61.98833	8.9
71.01380	67.9
72.01740	2.2
72.99303	7.6
73.02953	1.4
78.95899	6.1
83.01383	2.4
85.02950	8.8
87.00879	3.7
89.02441	96.5
95.01371	4.2
101.02442	54.7
113.02455	27.4
119.03503	50.6
131.03497	4.0
143.03517	8.6
149.04613	3.4
152.99614	5.1
161.04543	8.0
179.05589	18.8
225.22221	17.7
226.22473	2.1
228.69513	1.7
235.20695	2.0
237.22321	2.0
249.90387	1.5
253.21794	5.4
255.23323	3.4
271.22818	7.8
278.24857	7.0
279.23117	3.0
280.23505	4.0
281.24405	2.2
296.25986	6.6
328.35727	1.5
485.65930	1.8
532.47345	60.7
533.47705	9.0
550.48352	25.7
551.49146	4.2
712.53851	54.1
713.54498	14.6
728.11139	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	712.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.8
61.98829	100.0
62.69464	0.1
62.98533	0.2
71.01382	0.3
73.88880	0.1
79.91077	0.1
85.24640	0.1
89.02448	0.2
97.42327	0.1
98.20098	0.6
101.02470	0.2
113.02470	0.1
191.05679	0.2
201.11533	0.1
209.11862	0.7
210.12115	0.2
227.12949	0.2
249.18587	0.2
253.09384	0.2
277.21765	0.1
515.37653	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02964	1.8
59.01378	2.6
61.98830	6.7
63.26305	0.5
66.03466	1.2
71.01379	2.1
71.54700	0.7
77.83031	0.5
82.02988	7.7
84.04546	4.0
85.02931	1.1
87.00935	0.5
87.05642	4.4
88.98817	1.4
89.02448	1.9
93.03490	0.5
96.96036	1.0
101.02468	1.4
101.07180	0.5
102.54572	0.5
109.04099	0.6
112.04037	1.5
112.07706	0.7
113.02464	1.3
115.08769	0.7
116.07162	1.8
119.03542	0.9
125.07212	0.6
126.05620	0.8
127.05154	3.4
128.03543	100.0
129.03874	1.8
129.06714	3.2
129.10359	4.1
130.08710	2.4
134.25410	0.6
139.07629	1.3
139.08694	0.9
140.07170	0.6
145.09824	17.4
146.10190	0.9
150.72545	0.6
153.10362	0.9
155.08287	0.8
155.11899	1.3
156.11397	5.4
158.13008	0.8
162.03235	0.6
165.10321	1.4
166.08774	2.2
173.04552	0.7
177.05640	0.7
179.05624	0.7
181.13516	0.8
182.12991	5.9
182.24536	0.5
183.10049	0.7
183.11507	0.9
184.14577	0.7
184.18271	0.6
186.16145	3.0
191.05644	2.1
193.13483	0.8
195.11411	0.8
200.14018	5.2
207.15018	2.0
209.04932	0.5
210.16168	1.0
212.14038	27.9
213.14297	1.9
224.14056	8.4
224.17657	1.4
227.10376	1.1
230.15131	0.7
242.15088	7.9
242.18677	1.1
243.15399	0.6
256.13028	19.9
257.13339	1.3
279.12329	0.6
285.22842	0.8
295.21478	1.3
313.22586	0.9
337.22452	0.8
355.23529	1.3
356.21869	1.9
383.71521	0.5
449.87634	0.5
455.28873	0.7
486.29480	0.5
554.54358	0.5
566.31781	1.7
677.34650	2.7
694.41827	1.9
712.42584	91.2
713.32202	0.8
713.42889	20.8
716.05011	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	21.5
60.24513	1.3
61.98829	22.8
66.72353	1.3
71.01379	16.9
71.54462	2.6
73.02938	3.2
78.95880	1.8
85.02959	3.5
87.00877	3.4
87.35434	1.2
89.02444	10.0
95.01370	1.9
95.05055	2.1
97.02928	2.7
101.02440	8.4
109.06579	5.4
113.02454	4.8
119.03516	2.4
125.02444	1.6
125.09696	1.8
127.11276	3.7
143.03510	2.7
152.99573	1.4
161.04504	3.5
163.11243	6.2
171.10263	100.0
172.10587	4.6
179.05598	2.7
181.12256	1.7
185.11894	2.0
199.09802	1.4
201.11334	10.1
207.10283	15.5
209.11787	2.0
215.12900	1.6
215.42006	1.3
225.11322	53.6
226.11690	5.7
235.08163	5.3
237.05196	1.4
243.12334	4.1
245.18506	1.4
249.18588	72.1
250.18933	6.3
253.09322	12.0
253.21744	15.4
277.21689	2.6
397.13495	21.4
407.19150	2.2
415.14499	7.9
443.19305	3.4
461.20346	11.4
475.23651	1.7
645.44592	1.6
693.37750	4.1
711.39368	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	712.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15703	0.1
59.01386	1.2
61.98832	100.0
62.98553	0.3
68.79525	0.2
70.64270	0.5
71.01398	0.2
78.95879	0.1
98.20254	0.2
101.02468	0.2
124.79003	0.1
178.75514	0.1
209.11925	0.4
249.18594	0.2
257.24854	0.2
277.21765	0.2
327.39758	0.2
339.72369	0.2
442.09833	0.2
608.94678	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
57.03436	0.8
59.01381	6.4
61.98826	1.8
69.03461	3.2
71.01385	6.3
71.05026	2.4
71.53137	0.7
72.99310	0.6
73.02957	1.2
78.95914	1.1
83.05051	0.7
83.46850	0.5
85.02934	0.9
87.00889	0.6
89.02442	2.8
95.01379	0.9
97.06614	0.5
99.00945	0.6
101.02444	4.0
102.50498	0.5
106.39355	0.5
113.02471	1.8
119.03521	0.7
123.08155	1.1
125.06083	1.1
125.09757	2.3
143.07126	1.5
151.11304	2.4
153.12852	1.9
161.04559	0.9
161.09709	2.0
171.10233	1.9
179.05576	0.6
179.07066	0.5
179.10788	6.4
180.03838	0.5
197.11826	83.4
198.12201	4.7
201.11343	0.7
207.10262	0.6
223.09741	1.3
225.11195	0.8
233.19128	0.8
235.08195	0.9
241.10774	3.9
242.11215	0.6
249.18538	2.0
251.20164	30.4
252.20518	1.9
253.09265	2.8
277.21829	4.1
332.12436	0.5
459.18231	0.6
475.60587	0.6
477.19742	3.0
617.93414	0.5
693.38342	0.5
711.39581	100.0
712.39935	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87358	0.6
54.31171	0.6
59.01382	5.8
61.98833	3.7
67.31664	0.6
70.13253	2.9
71.01383	6.4
72.99291	0.7
78.95874	0.7
85.02944	0.8
88.75929	0.7
89.02446	3.3
91.98907	0.6
95.05020	1.8
96.36053	0.6
97.02946	1.7
99.04514	0.6
101.02440	2.2
109.06624	1.6
110.03761	0.9
111.65259	0.7
113.02438	1.8
119.03509	0.9
125.09724	1.2
127.11297	1.9
137.85951	0.6
146.09137	0.6
161.04564	1.5
161.09677	1.1
163.11273	3.1
171.10269	100.0
172.10616	5.6
179.05588	1.4
179.10829	1.4
181.12335	1.4
189.09198	1.0
197.08185	1.1
207.10294	8.3
221.37029	0.7
223.09807	0.8
225.11319	44.0
226.11671	3.2
235.08223	2.4
243.12361	3.6
249.18587	59.5
250.18942	5.2
253.09277	8.0
277.21729	4.6
290.24454	0.6
292.76941	0.6
407.19073	3.2
443.19400	2.3
461.20242	10.1
462.20261	1.2
693.38873	2.4
711.39154	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	711.396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.9
57.03434	1.1
59.01113	0.6
59.01378	7.8
61.98835	3.1
62.91047	0.5
67.47435	0.5
69.03429	0.5
69.37392	4.7
71.01382	6.2
71.05013	2.2
72.99285	0.6
73.02938	1.2
75.44379	0.5
83.05005	0.5
85.02934	1.5
87.00884	1.1
89.02422	2.9
97.02955	3.1
97.06578	1.7
99.00272	0.9
99.00877	11.8
101.02459	3.6
107.12047	0.5
109.06577	1.4
110.03700	0.7
113.02415	1.8
123.08189	1.2
125.09710	4.7
127.11275	1.3
136.05302	0.6
155.14314	0.6
161.04547	0.8
163.11288	6.5
164.11572	0.9
165.53952	0.5
171.10240	3.5
181.12328	13.3
182.12650	1.1
197.11819	1.2
199.13388	21.7
200.13670	1.9
201.11354	0.9
207.10258	28.5
208.10619	2.2
225.11307	55.9
226.11678	4.5
243.12340	13.4
244.12524	0.8
249.18578	27.5
250.18919	3.3
253.09357	2.6
317.15857	0.8
435.23306	0.7
443.19287	1.2
461.20239	11.4
461.26199	1.0
462.20547	1.4
479.21329	3.7
549.33765	0.9
693.38513	5.7
694.39307	0.7
711.39575	100.0
712.39917	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	711.396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32921	0.6
54.14286	0.5
55.01869	0.8
57.03441	1.6
58.00588	2.4
59.01374	12.6
61.98831	4.0
64.19205	0.6
69.03457	1.0
70.95510	1.4
71.01007	1.0
71.01381	14.2
71.05023	2.4
72.99308	0.8
73.02946	3.1
75.38358	0.6
83.01388	1.1
85.02941	2.3
87.00868	0.6
88.80054	0.6
89.02436	6.0
95.01395	0.7
95.05054	1.1
97.02940	3.8
97.06587	2.7
99.00878	15.0
101.02461	5.1
109.06588	1.9
110.03776	0.8
113.02451	3.5
119.03517	1.4
123.08179	0.9
125.09738	5.7
135.08165	1.3
141.01964	1.1
143.03464	0.7
145.10179	0.9
149.09726	1.9
151.11292	4.4
153.12912	1.0
161.04533	1.7
161.09727	1.3
163.11301	13.1
165.09120	0.6
167.10718	0.9
169.12302	0.9
171.10245	9.9
177.09213	1.4
179.05659	1.5
179.10803	4.1
180.11092	0.7
181.12338	19.6
182.12653	1.0
185.11798	0.9
189.09183	1.3
197.11807	9.3
198.12085	1.1
199.13388	11.0
200.13795	0.6
201.11308	2.5
207.10249	41.8
208.10609	2.9
215.12868	0.9
225.11311	100.0
226.11639	5.9
235.08177	1.6
237.08644	0.7
243.12364	19.6
244.12643	1.5
249.18584	62.9
250.18854	5.6
253.09274	14.0
439.28717	0.9
443.19104	2.0
461.20209	10.4
462.20752	1.4
479.21344	9.4
693.38684	4.7
694.38501	1.2
711.39569	71.1
712.39899	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	710.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15864	0.1
59.01381	1.3
61.98831	100.0
64.29597	0.2
73.47676	0.2
82.29307	0.2
89.44347	0.1
96.96003	0.4
98.20687	0.3
99.56182	0.2
111.04487	0.2
125.39732	0.2
145.41177	0.1
191.05722	0.2
209.11887	0.3
211.50781	0.2
218.63852	0.2
278.91293	0.2
346.75674	0.2
451.56445	0.2
485.31500	0.2
496.19012	0.2
502.12894	0.2
560.58319	0.2
588.01495	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
63.99318	0.4
73.31928	0.4
78.95902	1.2
95.05349	0.5
98.20646	1.5
110.98588	0.9
132.48764	0.5
279.23242	7.7
280.23730	4.9
281.24762	1.1
647.46240	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.396
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	1.2
59.01137	1.0
59.01379	10.3
61.98832	12.8
71.01379	8.2
71.05010	1.6
73.02924	1.8
78.95915	1.8
83.05023	1.4
85.02946	2.1
89.02424	3.6
95.05006	4.7
97.02956	1.4
97.06577	5.4
99.00883	16.2
100.56743	1.1
101.02422	5.4
109.06558	3.3
111.04504	2.3
113.02413	2.2
123.04478	2.1
123.08110	1.1
127.11250	2.1
135.08147	3.3
136.38713	1.1
153.09212	7.6
161.04478	1.6
161.09659	1.4
163.11269	3.5
171.10266	100.0
172.10568	3.2
179.07112	1.7
179.10765	2.2
181.12274	1.6
189.09229	1.5
197.08217	7.2
197.11732	4.0
198.12231	1.8
199.13419	23.6
200.13812	1.1
201.11310	1.8
207.10243	9.2
215.09174	3.5
223.09785	2.3
225.11311	39.2
226.11693	2.3
235.08171	2.8
243.12321	3.9
249.18588	70.1
250.18921	6.4
251.20049	2.3
253.09328	10.5
253.21887	1.1
277.21725	13.4
278.22049	2.7
293.94083	1.2
407.19199	2.9
433.16553	2.0
443.18961	1.4
451.18900	1.5
461.20319	8.5
655.82245	1.3
693.38251	2.0
707.25000	1.3
711.39368	43.7
712.39868	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	710.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.2
59.80999	0.1
61.98831	100.0
62.98526	0.4
62.99257	0.1
63.99258	1.0
71.01409	0.2
80.91718	0.1
85.02987	0.1
88.98791	0.1
101.02432	0.1
113.02435	0.1
123.29932	0.1
150.03679	0.1
175.34558	0.1
186.53651	0.1
191.05597	0.1
221.56557	0.1
261.22458	0.1
279.97910	0.1
324.71924	0.1
504.42288	0.1
570.19690	0.1
647.36273	0.1
675.36597	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63696	0.2
58.50273	0.2
61.98827	100.0
69.17333	1.0
69.17750	0.4
70.76393	0.1
73.53326	0.2
75.95020	0.1
78.95884	0.2
85.84371	0.1
91.17110	0.1
104.72769	0.2
133.05074	0.2
133.44208	0.1
149.00237	0.1
203.20245	0.2
327.26617	0.2
338.03885	0.2
350.03119	0.2
730.98938	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39615	0.1
59.01379	0.9
61.98830	100.0
62.03170	0.1
64.84626	0.1
66.57153	0.1
71.01382	0.2
78.95938	0.1
90.50478	0.1
97.36578	0.1
98.19924	0.3
98.20586	0.3
119.56621	0.1
139.26967	0.1
140.69792	0.1
159.22429	0.1
164.33572	0.1
209.11835	0.1
381.31573	0.1
399.13855	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	710.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64112	0.1
52.01701	0.1
53.45948	0.1
59.01382	0.4
61.98829	100.0
62.98532	0.2
63.88787	0.1
70.04620	0.1
71.01381	0.1
78.18793	0.1
85.02945	0.1
96.95998	0.2
98.20058	0.4
98.20731	0.2
121.04810	0.1
157.91708	0.1
322.28571	0.1
397.13428	0.1
399.14145	0.1
427.68417	0.1
586.62054	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	709.3932
Annotation	Myrtucommulone H
Peak:m/z	Relative Intensity
51.97942	0.9
56.40520	0.9
58.00591	1.1
58.79043	1.1
59.01381	1.3
61.98816	4.0
71.30669	2.0
73.41579	0.9
78.95907	47.2
81.03468	1.0
83.05034	4.2
95.05030	1.1
96.96953	3.8
97.62264	1.0
125.09695	3.7
125.14977	1.1
127.11274	4.0
148.37381	1.3
152.99590	67.3
155.10727	2.2
163.11272	3.3
165.09219	2.1
165.12830	3.4
169.12328	2.4
171.00612	6.4
171.10168	1.7
183.10239	1.4
187.43970	1.1
191.28572	1.2
199.09836	1.3
201.11320	71.4
202.11615	4.1
209.11826	77.1
210.12128	5.1
227.03253	6.5
227.12984	7.5
245.04288	2.5
245.13869	2.3
246.44838	1.0
253.21695	13.6
254.21991	1.1
272.41748	1.1
277.21588	1.2
337.10468	1.5
363.12210	2.1
381.13150	4.5
411.14404	2.0
429.15289	2.6
437.15652	2.5
455.16873	16.7
456.17722	1.2
473.17926	67.1
474.18253	8.4
672.14587	1.3
691.38416	12.3
692.38910	1.9
709.39294	100.0
710.39551	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.8
59.78051	0.6
61.98827	8.7
63.96235	2.5
69.86975	1.9
69.87366	1.6
71.01381	9.1
73.02960	1.3
78.95887	2.6
78.98607	6.0
79.95738	13.2
80.96517	72.2
85.02938	2.6
86.32376	0.6
87.00878	2.4
94.98090	17.8
96.96015	1.7
97.02975	1.3
98.20839	0.6
101.02440	2.7
103.06656	0.7
106.98122	3.5
122.97594	5.0
125.02451	4.1
127.04039	1.2
128.46490	0.6
134.97585	5.2
136.99144	1.2
147.08261	0.7
148.99127	5.2
152.98628	5.9
153.42036	0.6
164.98619	9.8
171.10251	2.1
206.99625	2.5
225.00748	16.4
255.23373	2.2
277.21747	1.0
279.23306	16.5
280.23636	1.0
342.76724	0.7
453.14203	2.5
537.27502	3.1
709.38336	100.0
710.38605	20.3
710.50549	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	709.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04595	1.0
54.48523	0.9
55.01888	1.1
57.03442	1.6
57.90437	1.1
59.01381	19.4
60.01722	1.2
61.33669	1.1
61.98829	10.9
69.03455	2.2
71.01375	4.3
71.05013	2.5
78.95892	4.8
80.96525	1.4
83.05042	1.3
85.02934	1.9
89.02449	2.9
95.05015	4.8
97.06580	9.1
98.20731	2.8
101.02445	4.9
109.06580	1.5
112.98593	1.3
113.02436	2.2
116.89091	1.1
123.08176	19.2
133.06599	5.4
151.07646	10.8
152.44460	1.2
152.99576	3.9
161.04532	1.4
169.08708	27.8
171.10219	3.7
177.05586	1.7
185.11763	1.6
195.06578	4.3
195.10269	2.1
209.11832	4.4
210.12209	2.4
213.07593	1.3
249.18584	3.1
253.09241	4.2
271.20746	1.2
277.21729	58.2
278.22168	7.5
395.22733	1.1
472.19592	2.5
473.19815	3.7
531.21613	1.3
549.35120	1.3
709.38104	100.0
710.38342	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	709.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90188	0.4
57.03443	1.0
59.01378	8.1
69.03450	4.5
71.01380	4.7
71.05018	1.9
73.02954	1.4
83.01381	0.7
83.05019	0.6
85.02962	1.7
87.00837	0.7
89.02444	3.5
92.04768	0.5
95.01395	0.7
97.06561	0.6
101.02445	4.0
109.06622	0.5
113.02460	1.1
119.03486	0.7
123.08182	1.1
125.09731	2.0
151.11282	1.9
153.12834	2.1
153.37730	0.5
161.04544	1.1
161.09706	2.3
179.10783	7.3
197.11826	87.7
198.12175	5.4
223.09720	1.1
241.10786	4.4
249.18575	22.2
250.18852	1.1
253.09268	2.7
459.18762	1.0
477.20026	3.4
709.38019	100.0
710.38324	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	708.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52246	0.2
59.01377	1.1
61.98831	100.0
64.60068	0.3
71.01402	0.4
77.82481	0.2
78.91893	0.5
95.54429	0.2
98.19875	0.7
125.03199	0.3
164.67136	0.3
173.83205	0.3
238.18690	0.2
247.08163	0.3
316.56583	0.3
415.12695	0.3
539.70209	0.3
611.34863	0.6
612.35364	0.8
630.35809	0.4
665.36780	0.3
672.37457	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92497	0.1
58.95633	0.1
61.98830	100.0
62.98537	0.2
91.79195	0.1
121.95166	0.1
170.49434	0.1
198.23537	0.1
242.65695	0.1
295.25851	0.1
598.39343	0.1
654.94391	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	708.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52499	0.2
51.91948	0.2
54.02385	0.2
61.98829	100.0
69.22411	0.2
98.19907	0.3
137.74138	0.2
257.74808	0.2
266.69498	0.2
276.78696	0.2
548.99963	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32562	0.1
61.98831	100.0
66.74492	0.1
149.26474	0.1
170.40868	0.2
454.99390	0.2
611.58563	0.2
700.80481	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03565	1.0
57.03448	1.1
58.00587	1.1
59.01374	11.1
61.98828	6.0
62.96428	0.8
70.02475	4.8
71.01365	2.6
71.04999	1.3
72.78975	1.0
73.02928	1.9
75.43874	1.0
76.04464	0.9
78.95902	76.8
81.03452	0.9
89.02422	1.3
95.05002	1.4
96.96937	5.9
97.02939	4.2
99.00882	7.3
100.35781	0.9
101.02399	1.3
109.06546	3.6
125.09672	2.7
136.22205	1.0
137.73378	0.9
147.32986	0.9
151.11241	1.7
152.99577	100.0
153.12769	1.1
153.99911	2.6
161.09680	1.2
163.11263	7.1
166.85814	1.0
171.00633	10.4
171.10272	3.8
179.10735	1.5
181.12323	13.1
197.11790	3.6
199.09711	3.9
199.13377	6.9
207.08366	1.7
207.10248	26.7
208.10577	1.4
211.13394	1.0
225.11299	56.8
226.11610	3.5
227.03293	5.0
243.12337	25.4
244.12686	1.7
244.19710	0.9
245.04286	2.6
253.21729	6.2
272.99182	1.0
277.21713	32.6
277.92850	0.9
278.21976	4.8
279.23193	3.9
379.11572	11.2
387.20236	3.9
453.15308	23.1
454.15427	2.7
471.16330	71.3
472.16556	7.0
689.36877	3.7
707.37701	94.5
708.38031	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	708.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98536	0.2
67.26337	0.1
73.69923	0.1
79.38148	0.1
104.37203	0.2
107.30161	0.1
181.31480	0.2
309.17181	0.1
572.59570	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76449	1.9
53.55757	2.3
58.79105	2.1
59.01382	44.2
61.98830	43.3
65.94230	2.1
69.30266	19.9
71.01385	25.1
73.02941	4.2
78.95917	4.9
83.01402	3.4
85.02959	11.2
87.00875	3.1
88.01233	1.9
89.02459	10.2
92.92812	3.0
96.96036	2.9
98.20312	9.7
99.00836	2.8
101.02457	12.7
109.07626	2.4
113.02468	15.8
119.03504	2.4
125.02468	2.7
152.99672	2.7
161.04568	5.4
191.05634	4.2
222.78809	2.2
356.76447	2.2
454.42465	2.5
467.29904	3.0
575.32275	3.0
611.34369	100.0
612.34851	15.2
629.35406	85.9
630.35858	18.3
671.36389	37.9
672.36505	7.5
707.33588	24.6
708.34814	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	707.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81513	3.9
59.01380	33.8
61.98569	3.7
61.98832	36.1
62.62240	3.5
68.62763	4.1
71.01393	21.7
71.36052	6.5
74.73184	3.2
85.02954	5.5
89.02424	6.4
99.28031	3.3
101.02435	15.1
113.02457	7.4
114.74650	3.5
143.03508	3.5
161.04448	5.4
175.95813	3.6
191.05634	3.9
203.76894	4.0
279.23358	3.5
315.62189	3.6
417.21188	3.9
467.29572	5.2
504.03543	3.7
611.34393	100.0
612.34479	16.5
629.35474	90.6
630.35730	18.4
671.36517	51.0
672.36877	8.5
707.34027	25.3
708.34344	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	707.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	40.7
61.98840	25.5
67.96874	2.7
71.01385	23.6
73.02946	4.1
83.01414	2.8
85.02953	9.1
89.02444	7.8
94.92571	2.7
96.95972	3.3
98.20730	5.4
101.02435	9.1
113.02450	11.3
161.04567	6.4
191.05618	3.4
277.21384	3.0
279.23340	3.6
389.96780	3.0
467.29871	7.4
550.62286	3.6
611.34399	100.0
612.34564	18.0
629.35437	65.4
630.36102	16.4
671.36273	41.4
707.34186	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45869	0.1
61.98829	0.2
78.95897	0.5
79.95740	4.1
96.96010	100.0
97.95955	0.4
145.24239	0.1
151.00400	0.3
167.06642	0.1
173.19341	0.1
191.05615	0.3
197.60950	0.1
227.03481	1.8
229.04991	0.3
240.60735	0.2
255.02965	3.2
256.03494	0.4
257.04608	0.2
284.03244	4.6
285.03992	2.2
403.22318	0.2
413.46628	0.2
609.14551	6.3
610.14996	1.1
630.43005	0.2
675.24030	0.2
716.60217	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.69568	0.5
61.98829	100.0
69.53889	1.9
69.54298	1.6
71.01379	0.9
75.67919	0.6
96.96038	0.9
98.20755	0.7
104.06307	0.5
117.03468	0.6
119.05041	2.3
143.03477	0.9
145.02936	2.7
163.03998	6.7
172.46219	0.5
187.04005	0.8
205.05157	1.6
229.05104	0.6
289.07397	1.0
307.08450	2.3
308.08521	0.6
350.82071	0.5
369.84586	0.7
399.89462	0.6
427.12448	3.3
471.20279	0.6
487.14722	4.7
488.14182	0.6
543.78723	0.6
544.41034	0.7
644.22400	1.9
694.79114	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30481	0.1
59.01372	0.7
60.81465	0.1
61.98830	100.0
62.98544	0.2
70.25431	0.5
71.01384	0.5
71.64356	0.1
85.02972	0.2
89.02448	0.3
101.02452	0.3
113.02435	0.3
118.98569	0.1
119.05056	0.2
120.35911	0.1
138.44574	0.1
179.05687	0.2
181.12471	0.1
184.83458	0.1
197.11858	0.3
207.10323	0.2
222.68628	0.1
291.19733	0.2
309.20700	0.8
415.14810	0.3
481.28027	0.8
643.29523	0.3
669.40656	0.4
670.30798	0.2
670.40948	0.9
688.33051	0.2
700.32605	0.2
706.34491	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	706.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.1
61.98830	100.0
69.86632	0.7
93.49376	0.1
98.20609	0.3
128.48137	0.1
161.23590	0.1
217.75389	0.1
341.63910	0.1
377.72183	0.1
399.24081	0.2
514.70880	0.1
520.31439	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.5
61.98826	100.0
71.01387	0.2
89.02451	0.2
101.02406	0.1
218.81757	0.1
360.94934	0.1
445.86725	0.1
494.17404	0.1
679.50250	0.1
706.33673	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26528	0.4
53.83630	0.4
59.01380	7.8
61.98826	7.7
71.01383	7.3
71.53743	0.8
72.99297	4.3
73.02937	1.6
75.00871	100.0
76.01192	0.5
77.57354	0.4
79.54335	0.4
85.02959	2.7
89.02443	4.8
95.01341	0.6
101.02445	5.0
113.02463	2.6
117.63113	0.4
119.03490	1.8
129.01970	0.6
154.12013	0.5
161.04565	1.1
216.75481	0.4
395.12738	0.5
467.30170	2.6
468.30734	0.6
629.35400	41.3
630.35840	7.9
679.04919	0.5
688.71509	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.57019	0.2
75.00885	0.3
76.00307	0.2
98.20261	1.2
123.55269	0.2
127.67659	0.3
139.85127	0.2
312.71573	0.2
481.28665	0.2
497.36520	0.2
630.35370	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.37
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	28.4
61.98829	100.0
71.01389	24.9
85.02948	6.6
87.92613	3.8
89.02451	11.7
98.20766	7.9
99.00875	8.7
101.02446	19.2
108.04504	4.4
108.65807	4.5
111.76820	4.8
112.39479	4.4
113.02447	7.8
125.09663	6.1
139.54665	4.6
163.11261	5.0
171.10263	6.9
172.65140	4.5
181.12363	11.3
197.11830	12.2
199.13370	31.2
200.83237	4.8
207.10260	15.7
209.11818	10.8
225.11252	22.3
243.12355	12.5
334.82120	4.5
577.27344	4.9
645.34949	29.4
646.35187	9.1
661.34381	13.3
669.40631	17.0
676.15070	6.3
687.31964	14.8
705.32947	42.9
706.34680	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	705.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.0
61.98841	9.4
62.23685	1.6
64.29724	1.7
66.20284	1.9
70.54186	4.4
71.05018	2.8
78.95907	89.5
89.94702	1.7
96.96960	7.7
106.30428	2.3
110.98544	2.1
113.45238	1.8
132.52852	1.8
134.87981	1.7
138.77567	2.1
142.98782	1.7
150.98100	2.1
152.99596	91.8
171.00606	12.5
179.10765	5.3
188.65552	1.7
197.11838	68.2
198.12126	5.4
211.95207	2.1
223.09746	2.0
241.10786	36.3
242.11174	1.7
245.04213	1.9
277.21716	54.4
278.22025	5.6
298.34781	1.9
359.74344	2.2
377.09891	8.0
385.23981	1.8
406.99570	1.9
445.23376	2.5
451.13895	16.5
452.13855	2.3
469.08609	1.5
469.14767	41.0
470.15094	5.5
705.36041	100.0
706.36346	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.2
57.03451	0.2
59.01379	5.7
59.44907	0.2
60.01705	0.2
61.98831	100.0
69.03459	0.2
71.01382	3.7
71.05035	0.4
71.54290	0.3
72.01723	0.2
72.99332	0.3
73.02946	1.3
75.00906	0.2
77.41820	0.2
79.57237	0.2
82.06663	0.2
83.01401	0.5
83.05008	0.2
85.02943	1.1
87.00895	0.2
87.29014	0.2
89.02448	2.7
90.02770	0.2
95.01403	0.3
97.02958	0.4
99.00884	1.4
101.02448	2.2
102.02739	0.2
109.06654	0.3
113.02444	1.9
119.03507	1.2
125.09756	0.7
131.03473	0.2
143.03510	0.4
149.04495	0.2
151.11237	0.2
161.04556	0.5
161.09801	0.2
163.11298	0.6
177.06300	0.2
179.05623	0.3
179.10728	0.2
181.12325	0.9
182.83461	0.2
194.16179	0.1
197.11829	3.8
198.12151	0.2
199.13437	0.7
201.11356	1.2
207.10266	1.2
208.10689	0.2
209.11865	1.2
225.11311	2.1
232.84454	0.2
240.33240	0.2
243.12395	1.0
348.64633	0.2
479.21533	0.4
483.29822	0.3
501.30878	0.3
633.31366	0.3
645.34924	2.6
645.45648	0.2
646.35217	0.4
661.31079	1.1
662.31848	0.2
663.35687	1.3
687.32141	4.1
688.33075	0.9
705.33386	5.0
706.33508	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
57.03443	1.7
58.00555	0.5
59.01380	6.1
65.98458	0.4
71.01379	3.8
71.05019	4.2
78.24039	0.5
81.03468	0.5
83.01414	0.6
83.05022	0.8
85.02953	1.2
87.00848	0.5
89.02445	3.6
95.01398	0.5
97.02953	4.1
97.06599	2.7
97.07121	0.5
98.19848	1.1
99.00880	26.3
101.02453	2.9
109.06564	1.4
110.03720	1.4
113.02448	1.8
119.03484	0.5
123.08139	1.5
125.09731	7.5
135.08160	1.6
136.05304	0.8
142.02731	0.9
143.03458	0.6
145.10281	0.6
153.12836	1.0
154.43480	0.5
155.14465	0.7
155.71274	0.5
161.04591	1.2
161.09724	0.5
163.11275	11.6
164.11662	0.8
179.10745	0.6
181.12343	21.2
182.12708	2.0
197.11859	1.0
199.13402	13.6
200.13721	1.2
207.10260	38.1
208.10551	2.7
223.13431	0.5
225.11319	54.4
226.11678	4.6
236.60544	0.5
243.12370	33.1
244.12677	1.8
253.09183	0.8
287.40747	0.6
317.16074	0.8
397.37424	0.5
461.20471	2.7
479.21347	11.6
480.21750	1.3
521.21655	0.5
543.28259	1.7
625.52509	0.6
687.32532	2.7
701.77411	0.5
705.33362	100.0
706.33649	18.1
706.45874	0.7
709.07166	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10721	0.7
52.98234	0.7
53.13513	0.8
55.01865	1.1
57.03448	1.4
58.00600	0.8
59.01381	14.0
61.98832	100.0
65.30749	0.8
69.03452	0.7
71.01379	11.1
71.05022	1.7
72.01739	1.1
72.99296	1.2
73.02946	2.8
75.00874	1.2
83.01418	1.3
85.02970	3.6
87.00893	1.4
89.02435	7.0
95.01364	0.8
95.05024	1.3
97.02950	2.0
97.06587	1.5
99.00883	9.6
101.02438	6.2
109.06603	1.3
110.48271	0.8
113.02454	5.0
113.03151	0.7
119.03527	2.6
123.08173	1.1
125.09695	3.9
131.03616	0.9
143.03537	1.2
161.04573	1.6
163.11276	5.3
171.10277	11.6
179.05710	1.1
181.12341	10.6
187.09853	1.2
191.05786	0.8
197.11838	4.3
199.13448	6.3
207.10255	11.6
208.10690	1.3
209.11922	1.2
225.11320	23.7
225.13571	1.2
226.11615	1.0
227.12854	0.9
243.12372	10.0
253.09334	1.3
289.18201	1.8
295.49612	0.7
386.29202	0.8
415.14694	0.9
424.11697	0.8
461.20459	2.1
479.21008	3.6
581.56879	0.9
610.64294	0.8
633.31281	30.2
634.31641	7.5
645.35107	3.0
661.34186	3.7
673.30817	1.1
687.32208	29.6
688.32587	7.0
705.33026	9.9
706.35181	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	705.167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.9
57.72569	0.6
59.01374	2.6
59.28792	0.6
60.99293	1.8
61.98831	8.4
62.09144	0.6
65.36038	0.6
66.81311	0.5
67.01892	4.9
69.19463	1.2
69.19868	5.2
69.64506	0.6
71.01380	3.3
73.02948	0.9
74.02482	2.6
81.03468	1.3
83.05027	0.8
85.02951	14.0
87.00875	9.4
93.03456	29.9
94.03803	0.9
95.05025	0.7
96.96023	1.8
98.20677	1.4
99.00893	1.0
105.03442	1.5
109.02968	2.9
110.80783	0.6
111.04533	5.2
116.03571	0.7
116.05068	0.7
119.05025	1.3
121.02973	0.9
127.04017	2.8
127.04862	0.5
129.01952	0.9
133.01961	0.7
133.02956	14.2
134.03688	1.8
135.04524	8.1
136.01694	0.7
136.07663	0.8
137.02434	2.2
138.05643	0.7
139.03999	0.8
150.03236	1.0
151.04001	1.1
155.03529	1.3
160.01622	0.6
161.02434	49.9
162.02763	2.3
163.03975	1.5
168.02692	0.6
171.02968	1.1
173.04533	15.3
175.00368	0.9
176.01237	1.0
177.01961	5.2
178.02692	2.1
179.03447	6.2
191.05602	91.2
192.05954	3.4
203.08224	2.6
215.05605	1.4
245.09349	6.3
297.11377	0.9
311.05951	0.7
311.14047	0.9
327.12369	1.1
339.05066	27.2
340.05450	2.5
351.07138	8.9
352.07578	0.7
353.08725	1.5
490.18604	2.0
508.19760	3.9
513.10333	100.0
514.10669	16.2
526.30334	0.7
677.11957	0.7
705.16406	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	705.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32144	0.5
57.03443	0.7
58.02965	0.4
59.01378	1.9
60.99308	1.1
61.32007	0.4
61.52051	0.4
61.98830	7.7
66.35197	0.5
67.01888	3.8
69.03455	1.3
70.02967	0.5
71.01379	2.8
71.54642	0.6
73.02950	0.5
74.02477	1.9
81.03468	1.4
83.05049	1.0
85.02947	12.1
87.00880	8.4
88.98783	0.5
89.19299	0.4
93.03461	29.5
94.03829	0.6
95.01431	0.5
95.05029	0.5
96.96007	1.2
99.00909	0.7
99.04516	0.6
101.02547	0.5
105.03470	1.1
109.02969	2.6
111.04524	4.6
116.05054	0.7
119.05023	0.9
121.02945	0.7
127.04066	2.7
129.01976	1.2
132.02177	0.6
133.02969	13.0
134.03748	1.2
135.04521	6.7
137.02457	1.8
138.05580	0.9
142.69714	0.4
143.09735	0.5
147.00925	0.6
150.03227	0.5
151.04037	1.2
155.03491	1.8
160.01660	0.5
161.02446	47.5
162.02740	2.3
163.04047	0.8
163.18513	0.5
171.02983	1.0
173.04546	12.8
173.06027	0.6
175.00423	0.8
175.04027	0.4
176.01094	0.8
177.01938	6.0
178.02672	2.5
179.03471	5.8
191.05615	80.2
192.05956	3.7
202.10992	0.4
203.08290	1.8
215.05559	2.9
239.07127	0.8
245.09265	3.3
267.06573	0.4
295.06070	0.6
327.12418	0.6
339.05072	25.3
340.05298	2.3
351.07196	10.1
352.07498	1.0
353.08704	1.8
430.69543	0.5
460.17548	0.5
487.12366	1.2
490.19000	2.2
508.19864	1.8
513.10364	100.0
514.10706	15.0
575.74200	0.5
589.36627	0.7
705.16772	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	704.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.5
59.41112	0.2
61.98830	100.0
71.26815	0.3
74.25449	0.2
78.95922	0.9
99.19053	0.3
106.94607	0.2
152.99538	0.3
155.61131	0.2
171.10284	0.6
172.10687	0.3
209.11897	1.0
277.21771	2.9
469.14771	0.3
518.78778	0.3
535.20313	0.3
622.54675	0.3
705.35590	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.5
60.01718	0.2
61.98830	100.0
62.98530	0.1
65.55714	0.1
71.15345	0.1
101.72614	0.1
107.64405	0.1
114.83270	0.1
127.28178	0.1
160.50975	0.1
193.32799	0.1
209.11873	0.2
210.39459	0.1
277.21759	0.1
282.11398	0.2
355.10919	0.1
397.35645	0.1
483.15378	0.4
484.15524	0.9
498.16876	0.2
499.18076	0.1
543.16443	0.2
555.19025	0.2
557.18964	0.7
558.18933	1.5
559.19208	0.1
574.15973	0.2
575.15692	0.5
589.17688	0.3
615.79443	0.1
644.22949	1.1
704.24292	3.0
705.23419	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	10.4
61.98831	86.1
68.03835	1.5
70.13640	6.9
71.01386	6.2
71.05049	2.5
72.26167	1.3
83.01383	1.8
85.02940	5.0
87.00893	2.7
89.02454	5.2
93.03461	7.5
96.96006	3.1
97.02962	2.7
99.00883	8.7
99.58801	1.7
101.02446	4.5
111.04509	1.6
113.02458	2.7
121.02989	2.7
125.09771	3.2
130.08762	1.4
133.02942	3.2
135.04472	1.6
142.65950	1.5
161.02434	6.3
163.11266	4.5
164.77599	1.6
173.04549	7.9
175.00993	1.5
181.12355	7.9
182.12686	1.7
191.05609	27.9
199.13446	8.0
207.10263	16.8
225.11302	25.4
226.11534	2.0
239.09248	1.8
243.12369	17.7
320.91956	1.4
339.05066	10.0
365.18024	1.7
408.20358	1.6
487.12241	2.0
513.10425	18.1
576.43585	1.8
641.26556	100.0
642.26862	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	703.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	22.4
60.77771	12.1
61.98819	100.0
69.33047	44.2
69.33472	68.9
78.73968	13.2
78.95905	54.4
88.22175	12.6
106.46326	12.0
171.10255	43.0
209.11757	19.3
210.12115	22.2
255.23299	58.5
256.23743	21.9
277.21729	26.0
312.92789	12.9
587.55518	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	703.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	3.0
57.03448	2.9
58.00594	2.7
59.01381	100.0
59.98515	0.7
60.01715	0.7
61.98828	1.2
68.80383	0.4
68.99821	0.6
69.03452	0.8
70.94756	0.4
71.01382	60.4
72.01707	1.0
72.99310	5.1
73.02950	13.6
75.00870	4.3
81.03441	0.5
83.01383	6.4
83.05001	1.0
85.02953	19.1
86.00101	1.4
87.00864	4.5
89.02447	43.7
90.02765	0.6
95.01386	5.1
97.02927	1.5
99.00879	5.2
101.02445	36.2
111.00188	0.6
111.00889	6.6
113.02455	34.7
114.02681	0.5
119.03503	21.4
123.00856	0.5
124.01598	0.6
125.02431	1.5
129.01953	2.6
131.03529	2.9
139.07529	0.6
141.01933	2.8
143.03516	3.1
149.04491	1.7
159.02959	2.7
161.04567	9.7
177.03998	0.9
179.05647	5.6
197.11769	0.5
319.14001	2.1
359.07278	0.4
383.20432	1.7
446.36746	0.4
463.26538	1.0
477.65756	0.4
481.28345	2.0
541.28461	0.5
597.86755	0.5
609.32837	2.3
610.32324	0.8
625.31183	1.0
627.32715	1.3
643.33331	7.7
644.32300	1.9
645.33405	0.6
661.34381	6.6
662.33746	1.6
703.35590	2.9
704.33032	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56813	0.4
55.01875	1.5
57.03436	1.9
58.00601	0.7
59.01379	29.4
61.98832	1.0
68.42706	0.4
69.03449	3.3
70.27448	1.8
71.01381	16.0
71.05022	3.5
71.51232	0.5
71.56973	0.5
72.99311	1.1
73.02939	3.7
75.00868	0.8
83.01379	2.1
83.05032	1.1
84.02167	0.6
85.02949	5.2
87.00877	1.5
89.02442	13.0
91.82623	0.4
95.01392	1.3
95.04978	0.6
97.02953	3.8
97.06571	2.3
98.20512	0.6
99.00880	16.6
100.01189	0.6
101.02444	10.9
109.06599	1.0
110.03728	0.7
111.00888	1.1
113.02447	8.1
119.03502	5.4
123.08152	1.8
125.02464	0.6
125.09737	6.2
127.11286	0.6
131.03485	1.0
135.08148	0.7
136.05321	0.8
140.41275	0.5
141.01967	0.7
142.02693	0.6
143.03448	1.5
145.10197	0.5
146.57996	0.6
149.04478	0.6
149.14839	0.4
151.11270	1.3
153.12849	1.2
155.14502	0.6
161.04541	1.9
161.09727	2.0
163.10092	0.4
163.11314	6.3
176.32590	0.4
179.05608	1.8
179.10815	4.5
181.12358	12.1
182.12680	0.7
197.11816	23.9
198.12173	1.8
199.13394	10.4
205.26051	0.5
207.10257	22.9
208.10674	1.1
225.11320	33.7
226.11588	3.4
241.10815	1.9
243.12344	16.9
244.12619	1.2
253.09280	1.2
255.81750	0.5
341.33319	0.5
350.51138	0.5
373.97217	0.5
459.18561	0.7
477.19690	2.0
479.21271	4.2
541.26373	1.0
599.13177	0.5
606.82678	0.5
618.56982	0.5
625.32190	0.9
643.33069	2.2
659.33093	3.1
661.35010	0.6
685.30670	1.9
703.31781	100.0
704.32098	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.3
57.03442	1.3
59.01378	13.6
68.18615	0.4
69.03451	3.2
71.00604	0.9
71.01379	10.9
71.05010	2.7
72.99304	0.5
73.02945	1.8
81.03450	0.8
83.01391	1.0
83.05003	1.3
85.02959	2.8
87.00877	1.5
89.02432	7.9
89.55190	0.5
95.01389	0.9
95.05019	0.8
97.02958	3.0
97.06603	2.6
99.00876	15.1
101.02438	6.0
103.69746	0.5
109.06598	0.7
110.03732	1.1
113.02467	4.2
116.93746	0.5
119.03484	2.2
123.08148	1.3
125.09720	6.2
127.11255	0.5
135.08096	0.5
142.02693	0.7
151.11238	1.2
153.12846	1.7
161.04575	1.1
161.09703	1.8
163.11284	6.8
164.11630	0.5
170.90993	0.5
179.10739	3.8
181.12331	11.5
182.12730	0.6
183.20236	0.6
197.11812	26.7
198.12131	2.0
199.13359	9.7
200.13803	0.4
207.10246	22.3
208.10565	1.7
215.69286	0.5
225.11301	32.0
226.11591	1.8
241.10764	1.9
243.12331	16.6
244.12703	1.2
253.09195	1.3
412.11102	0.5
477.19550	1.1
479.21158	3.7
518.82043	0.6
541.26379	1.2
568.39459	0.5
572.25781	0.6
643.33307	0.8
659.32825	3.0
685.30743	1.9
703.31769	100.0
704.32123	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	702.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.8
61.98830	100.0
70.40082	1.1
78.95480	0.3
78.95905	1.5
107.90592	0.3
113.42003	0.3
115.21789	0.3
138.28069	0.3
143.07208	0.5
152.99632	0.6
171.10307	1.0
173.04645	0.4
193.68607	0.3
239.12798	0.3
242.48746	0.3
255.23404	1.4
277.21768	0.6
278.22171	0.4
423.99323	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.5
59.01387	10.4
61.98826	5.4
69.03449	2.8
71.01377	8.8
71.05024	1.8
73.02935	2.3
83.01393	1.3
85.02943	2.9
89.02446	5.1
95.01375	1.2
96.96006	0.9
97.02972	1.1
97.06551	1.4
99.00871	4.2
101.02428	6.1
113.02462	4.3
119.03465	1.3
123.08189	1.2
125.09705	2.0
141.54501	0.9
151.11261	1.3
153.12830	2.4
161.04565	1.5
161.09683	2.0
163.11252	2.8
169.12309	1.8
171.10252	2.7
179.10733	3.4
181.12334	7.3
194.62703	1.0
197.11827	50.9
198.12144	3.8
199.13396	30.6
200.13693	2.1
207.10306	4.4
218.36446	1.0
225.11365	8.7
241.10754	3.6
243.12355	3.6
244.12643	1.1
253.09332	2.5
261.52240	1.0
461.20151	1.5
477.19604	1.3
479.21011	1.1
523.25110	1.0
541.26648	2.9
631.29498	1.7
643.32544	1.1
659.32935	3.0
685.30688	11.0
686.31213	1.5
703.31805	100.0
704.32269	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	702.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80967	0.1
53.64048	0.1
59.01377	0.4
61.98830	100.0
68.21514	0.1
78.95930	0.3
152.99680	0.1
171.10257	1.2
172.10643	1.0
173.10770	0.4
202.41573	0.1
225.11621	0.1
235.30510	0.1
235.92101	0.1
249.18620	0.4
250.18945	0.3
255.23404	0.1
279.23410	0.4
309.88400	0.1
458.56055	0.1
556.45123	0.1
684.37946	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	701.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.9
60.67545	0.6
61.98822	1.5
69.46554	3.9
75.44135	0.5
89.02422	0.6
93.03496	0.7
96.96008	0.5
97.70670	0.5
102.06100	0.5
130.08734	0.6
133.02962	0.6
136.01694	0.7
150.41418	0.5
160.04272	0.5
164.07646	0.5
191.05608	1.2
197.02223	5.3
204.53435	0.6
267.09729	0.6
283.06476	0.6
283.17194	0.6
294.37805	0.5
342.21631	0.7
351.07541	0.6
397.30557	0.6
503.33774	100.0
504.34140	15.4
608.22821	0.8
640.32190	0.7
684.36493	0.6
701.36713	15.0
702.37109	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	701.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82125	0.5
57.03814	0.5
59.01379	15.8
60.60373	0.5
61.98816	1.6
67.85632	0.5
71.01382	1.9
71.52656	0.5
71.53049	0.5
78.95901	1.1
87.00929	0.5
89.02452	1.2
101.02436	1.3
106.24792	0.4
113.02422	0.8
127.11282	1.6
153.09323	0.5
161.04584	0.8
171.10262	100.0
172.10602	4.6
179.05554	0.6
209.11816	5.9
227.12816	0.6
233.19026	0.6
233.43900	0.5
235.08228	1.3
251.20145	50.3
252.20509	4.7
253.09299	4.7
255.23259	4.3
295.22745	1.5
345.07233	0.5
352.73187	0.6
407.19080	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	701.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.7
61.98592	1.4
61.98830	16.9
65.99845	4.3
71.01395	1.4
71.54368	2.9
73.02949	1.4
76.92259	1.4
78.95894	5.6
82.02988	13.9
83.01392	2.8
110.02484	2.3
113.02525	1.5
136.04033	2.4
140.10899	1.4
152.03542	20.7
152.99535	1.8
166.08752	1.7
171.10208	3.7
173.07373	1.4
178.47383	1.6
194.08186	6.2
200.03993	1.7
212.05600	2.4
225.14168	1.9
236.89868	1.7
238.40089	1.6
243.07623	1.7
248.66048	1.4
255.23265	5.7
268.08478	1.5
279.23343	2.7
280.23291	1.4
334.32028	1.8
376.32523	1.8
468.21802	1.6
495.19583	2.3
503.17831	1.6
539.19299	2.3
569.27686	1.8
578.21155	1.6
591.22314	3.0
592.23077	1.9
605.87488	1.8
614.24365	2.0
619.22046	4.3
641.25836	5.6
651.24646	41.8
652.24860	8.5
669.25470	4.8
670.26154	2.7
683.27618	3.1
701.28253	100.0
702.28436	23.7
702.39575	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
59.63805	0.6
61.98830	3.7
65.55664	0.5
66.46394	0.5
77.69689	0.6
98.19812	0.9
117.95133	0.5
127.14381	0.5
151.11124	0.5
171.10307	1.0
193.67764	0.6
229.57231	0.7
248.41689	0.6
364.19470	0.7
388.09879	0.7
437.12839	0.9
438.13535	3.6
451.14090	0.8
452.15170	1.6
453.15005	0.7
480.13882	1.3
481.15195	28.4
482.15463	10.1
495.16782	10.2
496.17361	3.2
497.18524	6.1
498.18860	1.5
514.14960	1.7
523.16595	1.2
525.14038	1.2
528.16754	0.7
539.15906	2.4
540.16547	8.9
541.16510	1.7
554.18097	2.4
555.18823	56.0
556.19049	14.2
567.18805	1.4
572.15515	15.1
573.15771	3.3
586.17023	5.7
587.17426	1.4
599.21863	0.8
609.19873	2.3
627.20935	0.9
641.22491	25.9
642.22821	7.2
701.24640	58.7
702.24945	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	701.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17154	1.6
50.42124	1.9
53.35344	1.5
59.01382	100.0
60.18147	1.6
61.98829	24.8
62.30991	1.8
71.14113	3.4
78.95893	6.1
85.31737	1.7
99.69012	1.9
110.98573	2.2
122.98436	1.8
125.06096	3.2
142.40843	1.6
143.07088	4.4
152.99579	2.9
167.14441	1.7
171.10286	15.1
205.78395	1.8
209.04425	1.8
209.11731	2.9
251.20107	8.8
255.23219	6.3
277.21710	4.4
278.22195	2.9
295.22665	4.5
438.13055	4.7
452.14774	2.8
480.15012	2.4
481.15201	48.0
482.15387	9.9
495.16556	14.6
496.16776	2.7
497.18063	5.7
514.15369	2.1
539.15308	2.1
540.16486	10.3
541.16962	1.9
555.18872	88.0
556.19208	20.9
567.18945	4.3
572.15552	24.5
573.15552	5.5
586.17120	7.3
609.20819	2.8
641.22650	40.1
642.22772	10.1
701.24634	75.8
702.25018	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	700.352
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48230	1.1
59.01377	1.8
60.99310	14.0
61.98825	4.3
62.08904	1.0
65.88152	1.0
69.40435	0.9
69.40753	8.7
70.02969	9.9
71.01385	15.8
81.02189	1.4
82.03014	1.6
82.06620	1.8
87.05643	20.0
88.04046	22.6
88.98804	74.4
89.62528	1.1
89.99131	6.1
96.00909	19.9
97.04098	1.4
98.02471	7.3
106.28313	1.1
107.65003	1.0
108.03329	1.6
108.08183	1.4
109.01698	3.8
109.04086	1.6
111.01982	1.5
111.05634	2.0
112.00437	1.6
112.27786	1.0
113.03551	1.7
114.01955	7.0
115.00367	19.8
115.08774	8.8
116.07164	1.0
119.79100	1.0
124.04062	2.0
124.07690	2.0
125.05907	1.3
125.07211	5.9
126.05663	1.2
129.10327	12.0
130.08745	14.8
132.03026	17.2
138.09241	3.7
139.08742	5.6
140.07169	2.3
141.06688	7.2
141.10297	1.7
151.07622	2.2
151.08765	27.5
152.07172	16.9
154.07475	1.0
155.08281	7.6
155.11845	1.2
158.09325	2.0
164.04697	3.5
166.08704	4.1
168.11411	23.4
169.09789	4.0
178.10994	1.9
181.07280	2.1
183.11327	1.5
184.05304	1.2
186.12503	4.6
191.05632	3.3
193.13448	11.6
195.07782	2.8
196.06087	1.3
196.09651	7.6
201.12451	4.7
204.08946	1.1
210.16153	1.8
211.14490	18.6
219.15111	1.9
221.16585	4.9
222.14799	1.3
227.03554	2.7
227.10326	2.0
228.03670	1.3
228.17101	3.8
229.15573	1.7
239.15121	86.0
240.15489	5.7
245.11552	1.5
247.14455	5.2
255.02945	4.3
256.03333	2.3
257.16180	24.1
263.03424	2.3
263.41589	1.2
264.17148	18.6
265.15341	5.6
280.61548	1.1
282.18192	4.7
283.19254	1.3
284.03302	5.1
285.03818	6.0
286.04095	1.9
290.15063	4.3
308.16116	12.9
309.14481	13.3
310.14856	1.3
326.17093	2.1
327.15619	1.9
335.01974	4.7
344.18234	3.2
380.18237	3.6
424.17062	5.4
442.18399	3.2
566.33057	3.8
567.31555	19.0
568.31647	3.3
584.34253	5.0
585.32501	27.3
586.32837	3.1
609.14929	1.8
610.15088	11.5
611.14484	1.5
664.33398	2.6
682.22040	2.3
682.34027	48.1
683.34259	11.6
700.35217	100.0
701.35474	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57396	0.6
55.53499	0.6
59.01381	21.7
61.98830	1.5
68.40549	0.6
69.03431	0.6
70.99006	0.6
71.01371	2.9
78.95922	1.0
89.02464	2.0
95.05022	1.8
97.06579	4.9
99.08156	1.2
100.07505	0.6
101.02454	2.4
113.02457	1.1
125.06089	40.5
126.06445	1.1
129.07410	0.7
143.07143	86.1
144.07486	1.7
161.04547	1.2
171.10292	1.4
201.11317	1.7
209.11797	1.2
225.11406	0.6
229.14403	1.3
235.08223	4.0
249.18652	0.8
251.20065	1.6
253.09315	9.7
253.21780	1.1
255.23285	1.1
277.21716	100.0
278.22049	9.5
279.23236	2.5
351.42004	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	39.4
61.98831	1.2
63.84803	0.5
66.99384	0.5
70.27760	0.6
71.01373	5.0
73.02970	0.6
78.95919	0.6
83.01393	0.6
85.02979	1.1
87.00862	0.5
89.02441	3.8
90.98553	0.5
96.96027	3.4
97.06583	0.6
101.02416	3.7
113.02454	1.7
116.14394	0.5
119.03463	1.0
125.09705	0.9
127.11282	2.1
133.89438	0.5
151.11295	4.2
153.09219	0.6
161.04515	1.1
164.34200	0.5
168.28078	0.4
169.12338	34.4
170.12714	1.3
171.10266	95.6
172.10603	3.9
179.05579	0.8
187.13306	0.8
213.11292	3.7
231.12337	4.4
235.08229	1.1
249.18585	26.7
250.18901	2.1
253.09291	4.1
290.47568	0.5
338.50406	0.5
407.19153	2.1
449.20212	2.4
467.21329	3.5
591.58502	0.6
681.38501	5.4
682.38904	1.3
699.39563	100.0
700.39899	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	15.8
60.43653	0.4
62.02591	0.4
65.48221	0.4
71.01376	1.3
73.02950	0.5
89.02430	1.2
101.02432	1.3
106.68800	0.4
110.41285	0.4
113.02475	0.5
117.61960	0.5
117.80534	0.4
125.09692	0.5
127.11284	1.3
161.04572	0.5
161.49327	0.5
171.10260	100.0
172.10608	4.8
202.75267	0.4
209.11888	1.3
235.08185	2.1
249.18582	41.6
250.18915	3.5
252.15274	0.4
253.09322	3.4
253.21696	1.5
254.09540	0.5
407.19257	3.0
464.99707	0.5
489.92471	0.5
540.11444	0.4
702.86176	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.338
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00593	1.1
59.01378	18.2
61.98825	6.7
69.03468	0.8
71.01383	13.7
71.54189	1.2
72.24664	0.7
72.99312	0.9
73.02950	1.5
78.95903	1.3
83.01380	1.1
85.02963	3.6
86.34357	0.6
87.04498	0.9
89.02446	13.3
89.13490	0.7
93.03444	0.8
95.01401	1.2
96.96014	3.2
99.00880	1.0
101.02436	9.9
106.90647	0.6
113.02457	5.9
119.03496	5.8
119.44865	0.6
154.47430	0.7
161.04585	1.7
173.04509	0.8
179.05643	3.3
191.05563	1.0
242.02957	0.6
501.30640	6.2
502.31082	1.0
527.85474	0.7
661.34509	6.8
663.35925	100.0
664.36237	20.1
699.33661	23.0
700.33826	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	699.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00574	2.9
59.01380	100.0
60.59523	2.4
61.98534	3.3
61.98830	37.9
69.22937	3.0
69.23329	20.9
69.88166	2.7
71.01376	39.0
72.99289	2.4
73.02947	6.9
79.00724	2.3
83.01404	4.7
85.02937	17.9
87.00881	3.5
89.02428	14.6
91.52351	3.2
95.01434	2.9
98.19760	4.4
99.00861	3.2
101.02442	18.3
103.03989	2.4
113.02451	14.5
119.03481	3.6
140.70564	2.3
152.17023	2.4
161.04482	3.6
162.18561	2.2
197.11830	4.7
199.44180	2.3
239.36108	2.7
272.89218	2.4
274.53357	2.2
278.80539	2.4
388.58200	2.6
404.48566	2.8
451.30759	2.7
463.99072	2.5
467.30273	4.2
595.34937	46.8
596.35144	6.9
611.34235	16.5
612.34607	5.3
613.35828	46.8
614.35748	11.1
629.35522	15.8
630.35718	4.9
699.35431	5.0
710.68994	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	699.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02609	0.9
52.24195	0.8
52.87756	0.8
59.01382	16.7
61.98836	7.2
64.68050	1.0
64.68411	0.9
69.39195	7.5
71.01376	8.3
71.05029	4.7
71.05360	0.9
73.02938	1.4
73.17764	0.8
75.00869	1.1
83.01385	1.2
83.05036	1.1
85.02941	3.9
87.00880	1.3
89.02450	6.6
96.95966	1.0
97.06567	1.9
98.07966	1.1
99.00861	3.0
101.02422	4.8
109.06560	0.9
109.84306	1.0
113.02425	4.0
119.03468	2.9
125.09705	5.4
130.06062	0.9
134.03671	2.3
135.04489	1.0
136.01633	2.2
137.02327	1.1
141.09227	1.6
149.02301	1.0
151.03955	3.1
153.09181	2.1
153.12830	5.2
155.10777	2.3
161.04494	2.0
163.03868	1.1
165.05269	1.7
165.08948	4.0
168.98123	0.9
169.08673	0.9
171.10297	1.5
179.05609	1.9
179.07056	1.0
181.08380	1.0
181.12279	2.5
191.05435	2.0
191.06880	3.8
191.37592	1.0
193.08447	15.2
193.12010	3.8
197.08147	1.3
199.09708	3.1
199.13397	2.5
207.10121	3.4
209.07828	1.4
215.09157	1.5
219.06436	7.6
219.09972	8.3
221.09593	1.1
221.11584	21.8
225.11232	3.9
237.07458	29.5
238.07722	1.7
243.12303	1.8
247.09537	8.1
251.08679	1.1
265.10568	55.8
266.10776	2.6
279.12198	1.0
287.21890	1.2
324.79837	1.0
342.12970	1.1
373.95343	1.1
381.49594	1.0
440.27124	0.9
449.27768	1.8
489.18832	1.4
507.20026	1.3
537.21332	9.7
538.21210	1.2
585.38062	1.0
588.47980	1.0
639.37506	1.5
661.33966	5.4
662.35101	1.7
663.35803	13.3
664.35944	1.5
699.28113	100.0
700.28223	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	699.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10319	0.3
50.72132	0.4
54.05122	0.4
58.02998	0.5
60.99009	0.9
60.99308	15.0
61.98816	0.9
69.68618	2.7
70.80241	0.5
75.15011	0.4
88.98804	100.0
89.99150	0.6
92.22289	0.4
106.49048	0.5
116.24634	0.5
130.08691	0.4
191.05611	0.9
227.03508	3.0
239.15077	0.6
245.09486	0.6
255.02985	6.1
284.03235	9.3
285.03922	5.0
609.14551	15.1
610.15057	1.9
682.33716	0.8
700.35107	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	698.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33861	0.4
59.01385	2.7
61.98832	100.0
69.63522	2.9
71.01374	0.5
73.38242	0.5
78.95918	1.3
80.96513	2.9
84.28637	0.4
85.91221	0.5
120.03237	0.4
122.11230	0.4
224.04732	0.6
235.02339	0.5
290.04816	0.5
443.25510	0.5
499.22263	0.5
584.59265	0.5
698.38757	2.3
702.93201	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16978	0.5
50.62815	0.5
54.47424	0.7
54.90245	0.8
59.01376	4.3
59.64067	0.6
61.98821	3.2
71.01385	2.8
71.53088	1.2
78.95899	2.0
80.02688	0.9
81.03454	1.6
83.05024	4.7
87.00892	0.8
89.02438	2.4
101.02448	1.8
109.06591	0.9
113.02460	1.5
122.83920	0.7
125.02445	0.6
125.06081	0.7
152.99590	0.7
155.89816	0.8
161.04518	0.9
163.11270	3.7
165.12828	2.5
171.10271	1.5
181.12279	0.7
191.10692	1.5
199.09779	1.1
201.11301	2.5
203.74030	0.8
207.10265	1.9
209.11824	100.0
210.12180	5.3
225.11308	2.0
227.12869	9.9
233.19200	0.8
235.08173	1.2
251.20151	53.0
252.20563	4.2
253.09241	8.4
253.21733	2.1
255.23398	1.3
256.23563	1.0
277.21765	2.4
278.22205	0.7
332.22983	0.7
364.56531	0.7
697.41296	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	697.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00593	0.6
59.01378	100.0
60.01708	0.8
61.98833	4.7
69.40655	0.3
71.01380	12.8
72.99310	0.8
73.02955	0.6
83.01367	0.5
85.02947	2.3
85.22110	0.2
87.00896	1.1
87.44530	0.3
89.02444	20.9
95.01408	0.8
101.02439	7.8
113.02448	6.4
119.03494	10.1
125.02443	0.5
131.03497	1.3
143.03532	2.7
148.38828	0.2
149.04575	0.9
152.76804	0.3
161.04555	2.6
179.05617	8.3
179.07210	0.4
191.05649	0.5
267.53033	0.2
497.27814	0.5
499.29025	0.5
550.80975	0.3
613.19885	0.3
629.34991	2.4
630.36499	0.4
653.34259	0.7
661.34692	1.0
694.82074	0.3
697.32141	0.7
697.42242	2.2
698.42847	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93721	0.5
57.03452	3.2
58.73823	0.5
59.01376	7.8
60.09349	0.4
61.98829	2.8
67.01923	0.4
68.13358	0.5
69.03448	1.0
71.01371	5.9
73.02949	1.6
75.00872	1.5
83.01364	1.0
83.05023	1.5
85.02953	1.4
87.00893	0.7
89.02433	3.9
95.01424	0.5
95.05035	0.5
96.96022	0.6
97.06575	1.3
98.19856	1.0
99.00880	0.8
101.02449	4.2
113.02479	2.5
119.03484	0.9
122.74709	0.6
123.08172	0.7
125.09717	3.5
127.11312	0.5
129.01718	0.5
133.05096	0.5
139.11234	2.4
141.12866	1.8
155.10744	0.8
161.04558	0.8
163.11189	0.5
164.27933	0.5
167.10742	2.8
171.10281	2.7
185.11819	100.0
186.12154	5.0
197.51570	0.5
201.11325	1.4
209.11821	25.0
210.12115	1.3
211.09799	0.9
221.54767	0.5
227.12868	2.6
229.06941	0.6
229.10828	2.3
229.14372	0.7
235.08194	1.5
249.18584	27.8
250.18925	2.1
251.20152	14.3
252.20551	1.2
253.09291	7.3
265.14731	0.6
277.21747	0.6
278.22141	0.6
278.60162	0.5
421.21185	0.7
447.18530	1.0
447.73981	0.5
465.19794	3.8
535.32202	0.7
610.56989	0.5
613.90668	0.6
650.17621	0.5
697.37994	68.4
698.38342	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	697.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99084	1.3
59.01107	2.2
59.01381	27.2
61.98836	2.7
71.01385	15.0
71.23051	2.7
74.34063	1.2
85.02943	2.1
87.00838	1.8
89.02444	21.3
93.03444	1.7
93.46038	1.4
101.02436	9.8
113.02461	6.3
119.03513	11.9
147.55511	1.3
148.14760	1.3
158.18976	1.5
161.04572	2.3
173.04581	2.0
179.05611	7.4
191.05641	5.6
265.10739	2.0
375.65341	1.4
400.47150	1.5
499.28909	2.3
535.19623	1.9
544.51495	1.5
559.80792	1.5
661.34375	100.0
662.34863	18.0
697.32092	23.6
698.32324	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	697.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00582	1.2
59.01109	1.4
59.01380	19.1
61.98827	6.7
65.44912	0.9
69.36660	8.2
71.01384	14.1
72.04417	1.0
72.99298	0.9
73.02936	1.2
80.50119	0.9
83.01398	1.2
85.02948	2.8
89.02445	13.8
93.03453	2.1
95.01408	1.4
96.95979	1.5
98.20640	1.3
98.95610	1.0
101.02467	9.5
112.90845	1.0
113.02448	5.8
115.92101	1.2
116.92838	2.2
119.03526	5.8
143.03433	1.3
161.04535	2.8
166.58881	1.1
173.04567	3.2
179.05600	5.3
179.33382	1.1
191.05650	6.8
343.48523	1.0
365.30185	1.1
413.71115	0.9
439.44467	1.2
481.28220	1.9
499.29291	6.6
500.28833	1.2
501.15189	2.6
661.34344	100.0
662.34607	19.0
697.32031	23.1
698.32080	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	697.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.5
57.03440	1.5
59.01381	34.7
61.98817	5.3
71.01383	28.3
72.99301	1.6
73.02945	4.6
83.01384	3.4
85.02957	11.8
87.00859	3.8
89.02434	18.8
97.02958	1.5
98.20766	2.7
99.00867	3.7
101.02438	24.6
103.35152	1.6
111.00895	3.5
113.02440	11.8
119.03503	10.3
129.01926	2.0
141.01967	1.8
143.03482	3.2
159.02963	2.9
161.04533	9.4
179.05592	4.5
187.59378	1.5
197.02225	2.1
209.02118	1.7
213.01698	3.0
233.06987	1.7
235.08148	3.0
235.16710	1.8
451.26855	4.3
465.28549	12.0
481.28003	1.8
483.29987	2.2
487.24652	5.0
499.29251	2.4
533.16583	1.7
627.33862	22.6
628.34113	3.5
629.36212	2.5
637.35846	4.1
643.33777	2.1
645.34558	4.2
661.34381	100.0
662.34772	18.6
697.32147	18.5
698.31335	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	697.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37866	0.9
58.84320	0.9
59.01367	3.5
61.98534	1.2
61.98827	12.7
69.76756	0.9
69.77081	5.5
71.01374	2.7
73.02948	1.8
73.64852	0.9
80.02660	1.9
80.75192	0.9
83.05012	4.2
89.02412	2.2
92.81645	1.0
94.98100	0.9
96.71200	1.1
96.96013	1.7
98.20647	1.4
101.02465	2.5
106.06600	1.7
121.02925	2.7
160.41145	1.1
163.11340	1.8
165.12857	1.6
167.06160	1.1
169.01402	1.3
183.05482	1.1
183.11845	0.9
184.06340	1.8
196.06413	1.4
197.07195	6.5
198.05667	1.7
198.07890	1.8
199.08690	1.7
201.11209	1.2
201.41141	1.1
209.11839	60.0
210.07991	1.4
210.12155	34.3
211.05128	1.1
211.08743	3.1
211.12323	10.0
212.05856	2.1
221.10843	1.2
223.08742	2.4
224.09645	1.1
225.06627	5.2
226.07452	3.9
227.08203	3.6
227.12846	6.3
228.13152	2.7
235.08513	1.9
237.06685	1.7
237.10359	4.9
238.10948	1.3
239.08174	3.7
239.11853	5.1
241.06163	1.3
246.80507	0.9
249.18576	22.6
250.07542	1.2
250.18944	17.0
251.08257	2.7
251.19228	4.8
253.06061	2.7
253.09334	4.4
254.09692	2.6
265.09714	2.4
267.07651	2.0
267.11227	1.7
285.08871	2.1
297.08386	1.1
311.07013	1.2
311.10397	1.9
312.11026	1.2
313.11963	1.1
339.09882	1.3
463.17685	2.1
476.14825	1.6
477.15698	2.0
490.16504	3.7
491.17361	6.0
492.18130	1.5
504.14233	1.7
505.15176	3.0
518.15887	5.5
519.16473	9.4
520.17365	3.4
521.18518	1.8
578.18518	1.4
579.18958	2.4
591.19061	2.1
605.20697	4.6
606.21387	3.5
607.22009	2.0
665.22491	86.2
666.23010	32.0
667.23297	3.1
697.25122	100.0
698.25317	25.5
706.02271	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	697.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	4.8
61.98831	26.3
71.01381	3.3
78.41872	1.2
81.03456	1.6
83.05031	2.6
87.63774	1.1
89.02456	2.0
101.02442	2.9
106.06618	4.9
113.02457	1.8
113.95028	1.1
120.04549	4.1
122.06075	1.8
132.04562	1.5
132.55029	1.2
137.09732	3.8
149.09746	6.2
152.69534	1.3
152.99570	1.2
167.10794	13.2
183.10231	5.1
201.11211	5.7
209.09900	2.2
209.11823	35.9
210.12180	18.2
211.09708	4.9
211.12360	3.4
227.12888	1.5
228.13174	1.4
229.10818	7.4
239.08223	1.5
243.86826	1.2
249.18616	17.3
250.18979	6.7
251.08051	1.3
251.19603	2.8
253.09477	5.0
254.09627	1.6
330.12469	2.2
340.10724	1.2
342.12424	1.9
358.12085	2.0
427.23865	1.3
447.19250	1.6
447.26096	1.3
455.69708	1.4
465.19733	2.7
491.17313	1.9
519.16510	6.4
520.17627	1.7
577.20905	3.8
589.21417	1.5
591.18329	2.1
605.20422	3.5
606.21558	2.8
607.22473	6.7
607.31079	1.3
608.22864	1.3
633.19666	2.3
665.22571	35.9
666.23126	26.3
667.23932	6.6
679.36981	2.1
697.25012	100.0
697.37897	34.3
698.25378	23.7
698.38165	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	697.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02854	1.3
57.68782	1.4
59.01377	7.0
61.98536	1.9
61.98833	31.6
70.54636	3.0
70.55000	2.3
71.01379	2.5
73.02937	2.1
77.78699	1.3
78.95908	1.8
79.61285	1.4
81.03478	1.6
83.05020	4.9
85.02935	1.9
89.02421	2.7
101.02428	3.5
106.06612	4.2
113.02438	2.0
120.04559	3.0
122.06121	1.8
132.04532	1.5
134.06078	1.2
137.09676	3.4
139.11374	2.4
139.88861	1.5
149.09715	7.4
163.11354	1.9
167.10759	12.0
183.10231	5.5
185.11775	1.5
201.11264	5.7
209.11833	40.6
210.12189	18.4
211.09819	7.3
211.12369	5.0
218.25635	1.4
227.08087	1.3
227.12831	5.1
229.10745	5.5
239.08266	1.8
249.18559	18.9
250.18971	9.9
251.19444	3.7
253.09435	4.6
277.05969	1.5
281.09189	1.7
330.12790	1.6
342.12735	1.8
358.11868	1.4
465.19482	2.8
519.16901	8.0
520.17096	1.8
535.19312	2.2
579.18799	2.6
591.20209	1.6
605.20374	2.9
606.21039	1.9
607.22131	7.8
608.22278	2.4
637.22583	1.9
665.22479	35.2
666.23206	25.3
667.24231	7.4
679.38037	2.4
697.24994	100.0
697.37878	30.1
698.25623	25.8
698.37561	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	697.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01702	0.9
61.98837	2.2
71.01377	0.9
71.08884	0.5
71.09213	0.7
78.65022	0.4
81.21351	0.4
85.02953	0.7
87.04531	0.4
99.00877	0.4
99.82691	0.4
115.20961	0.4
119.03485	0.4
119.90265	0.4
121.02931	1.7
125.02461	0.4
127.17939	0.4
149.69746	0.4
165.53848	0.4
171.10310	0.5
190.85144	0.4
191.03522	0.7
209.04530	1.5
209.11784	0.5
249.18678	0.7
293.08240	0.4
329.40671	0.5
403.86920	0.4
403.92139	0.4
409.00345	0.3
410.48209	0.4
469.05438	0.9
549.56134	0.4
593.13428	1.0
629.35968	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08007	0.1
55.54870	0.1
57.85883	0.1
59.01380	1.1
61.98831	100.0
62.98515	0.1
68.48172	0.1
69.45239	1.0
71.01385	0.6
73.02971	0.2
78.95902	0.2
85.02967	0.5
89.02431	0.2
89.80631	0.1
98.20612	0.2
101.02493	0.3
113.02465	0.1
125.02448	0.3
135.04620	0.2
142.47369	0.1
147.71536	0.2
171.10304	0.2
209.11829	1.0
210.12239	0.5
249.18626	0.4
250.19017	0.2
279.33966	0.1
284.16940	0.1
629.35455	0.3
630.36328	0.4
726.58667	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86439	0.1
59.01383	1.8
61.98830	100.0
62.98563	0.2
70.18661	0.1
71.01378	0.8
71.53020	0.2
73.02969	0.2
74.14734	0.2
78.33570	0.2
80.91700	0.3
82.95428	0.3
83.01372	0.2
85.02966	0.4
89.02430	0.2
93.71364	0.2
97.50002	0.1
101.02460	0.7
105.54405	0.1
113.02454	0.3
125.02443	0.2
133.03143	0.2
161.04637	0.2
209.11908	0.3
210.12302	0.2
269.73923	0.2
316.02194	0.2
349.28177	0.2
365.83066	0.2
429.70712	0.2
591.37262	0.2
592.37885	1.1
610.38739	1.0
629.35931	0.5
653.79779	0.2
697.35541	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.401
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78430	0.4
57.03430	0.4
59.01379	8.4
60.44129	0.3
61.98832	14.1
69.03471	0.5
70.53245	0.9
71.01384	3.0
73.02945	0.7
78.18262	0.3
78.95898	0.4
80.02688	1.2
81.03458	0.9
82.64252	0.3
83.01354	0.4
83.05029	4.2
84.02143	0.3
87.00880	0.6
89.02452	1.5
98.19949	0.3
98.20472	0.4
101.02446	2.2
109.06563	0.5
113.02434	1.0
119.03556	0.5
121.29039	0.3
125.06039	0.4
135.08177	0.7
147.93018	0.4
152.99606	0.5
161.04559	0.7
163.11278	3.4
165.12845	1.8
166.13322	0.5
169.12286	0.5
173.04669	0.4
181.12332	0.4
191.05620	0.6
191.10759	0.9
207.10303	0.6
209.11816	100.0
210.12175	5.5
227.12869	10.4
228.13351	0.4
235.08241	1.2
249.18579	42.5
250.18950	3.7
253.09303	7.3
254.09444	0.4
445.20691	1.1
497.77930	0.4
535.52771	0.4
695.37000	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.2
59.01380	4.1
61.98833	1.4
68.99788	0.1
70.96925	0.3
70.97260	0.1
71.01383	2.4
73.02953	0.5
78.95907	0.4
80.02687	1.1
81.03469	1.1
83.01401	0.5
83.05025	4.2
84.02174	0.6
84.05363	0.1
85.02974	0.6
87.00873	0.6
89.02451	1.9
95.01378	0.2
95.05035	0.5
97.02962	0.2
101.02453	1.9
109.06556	0.3
111.08181	0.2
113.02466	1.4
119.03514	0.5
125.06079	0.5
125.09742	0.3
127.02625	0.2
135.08150	0.8
137.09633	0.2
143.03502	0.3
145.76849	0.1
147.11800	0.3
152.99619	0.2
161.04608	1.0
163.11290	3.6
164.11693	0.2
165.12831	1.9
179.05553	0.4
181.12314	0.6
191.10780	1.0
198.45435	0.1
205.19608	0.3
207.10339	0.2
209.11821	100.0
210.12157	6.1
211.13135	0.2
225.11287	0.2
227.12880	10.3
228.13197	0.6
231.17432	0.4
235.08211	1.2
249.18579	44.7
250.18924	4.2
253.09277	7.2
254.09665	0.4
276.99631	0.2
445.20590	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.0
61.98821	0.6
65.78642	0.2
69.20906	1.7
69.21320	0.3
71.01382	2.8
80.02674	1.3
81.03454	1.2
83.01403	0.5
83.05028	4.5
84.02146	0.6
85.02962	0.7
87.00880	0.5
87.73930	0.2
89.02431	1.8
95.05033	0.6
97.02938	0.3
97.21637	0.2
99.04452	0.2
99.48248	0.2
101.02444	1.8
109.06633	0.4
113.02461	1.2
119.03471	0.4
125.02388	0.3
125.06088	0.4
131.19179	0.2
135.08113	0.6
147.11768	0.3
160.51645	0.2
161.04581	1.0
163.11284	3.5
165.12845	2.2
166.13213	0.3
166.66222	0.2
181.12363	0.5
191.10728	0.8
209.11807	100.0
210.12155	6.3
210.14180	0.3
225.11238	0.4
227.12869	10.4
228.13184	0.7
231.17529	0.3
235.08180	0.8
249.18568	44.6
250.18895	3.8
253.09259	7.4
254.09724	0.4
258.65317	0.2
277.21738	0.2
304.37259	0.2
318.56354	0.3
445.20691	0.6
445.72314	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81829	0.7
53.87611	0.8
59.01111	1.4
59.01381	17.0
61.98816	2.9
71.01382	7.0
73.02935	1.1
76.33782	0.7
78.95908	2.9
81.03450	2.2
83.01369	2.0
83.05025	12.8
85.02949	1.7
87.00874	2.2
89.02444	2.9
95.05054	1.3
97.06576	1.2
99.32441	0.7
101.02437	5.7
109.06578	2.0
113.02428	1.9
119.03465	1.1
127.81932	0.7
135.08185	4.9
137.09694	1.9
145.05087	1.1
152.99541	1.5
161.04556	1.5
163.07608	1.6
163.11267	1.1
165.12822	2.7
171.10229	1.0
179.05579	1.3
181.08698	66.9
182.08951	3.6
183.13887	33.2
184.14154	2.0
199.09738	8.0
207.10298	1.9
209.11821	13.5
225.11275	9.8
227.12927	4.1
235.08244	4.3
243.93927	0.8
249.18597	14.4
250.18857	1.1
251.20142	4.1
253.09285	12.4
277.21710	100.0
278.22006	9.3
279.23260	2.7
350.67963	0.8
373.95831	0.7
435.19116	0.8
461.20206	1.3
463.21866	3.3
695.40118	20.0
696.40717	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	695.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22561	0.5
58.00602	1.0
59.01376	11.5
61.98828	4.8
69.43202	0.5
69.64816	2.0
69.65225	0.9
71.01384	5.9
73.02946	1.6
78.95899	1.5
80.02664	1.1
81.03461	1.5
83.01392	1.2
83.05017	7.4
85.02946	0.7
87.00880	1.2
89.02442	3.3
93.03391	0.7
94.90813	0.5
95.01398	1.0
95.05051	1.1
97.02940	1.0
97.06591	0.8
101.02443	3.8
105.08211	0.5
109.06590	4.6
113.02445	2.4
119.03480	1.0
125.06054	0.9
125.09749	0.6
135.08156	2.3
152.99625	0.8
161.04593	1.4
163.07687	0.6
163.11270	7.2
165.12830	2.4
171.10222	0.6
179.05588	0.7
181.08693	11.2
181.12343	1.9
191.10797	1.3
197.11810	1.5
199.09720	1.8
199.13391	1.7
207.10245	13.6
209.11816	100.0
210.12164	6.3
225.11299	12.1
226.11642	1.8
227.12880	16.5
228.13293	0.8
235.08179	2.4
249.18581	51.3
250.18864	5.5
251.20160	13.6
252.20457	1.4
253.09279	12.2
277.21713	17.6
278.22046	2.7
299.01871	0.6
358.21368	0.5
443.19205	1.0
445.20715	1.1
461.20242	2.5
463.21643	1.1
695.40186	5.5
696.40063	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	695.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00598	0.4
59.01381	100.0
60.01714	0.8
61.98831	0.6
63.18632	0.3
64.80028	0.4
71.01383	11.3
72.99335	0.6
73.02953	0.5
76.16425	0.3
80.30699	0.3
80.76501	0.3
83.01418	0.3
85.02948	2.0
87.00889	1.0
89.02448	16.5
90.02804	0.3
95.01387	0.7
97.08608	0.3
101.02443	7.8
110.81224	0.3
113.02453	5.7
119.03510	9.2
125.02457	0.5
131.03549	0.8
143.03487	2.4
149.04572	1.0
161.04530	3.9
179.05618	7.9
180.06041	0.3
243.86160	0.4
393.24271	0.5
395.25940	1.6
396.26572	0.4
419.25916	0.4
437.26984	5.0
438.27408	0.8
531.41376	0.4
603.92316	0.4
635.34320	7.2
635.43781	0.5
636.34985	1.0
695.36420	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51372	0.4
57.01967	0.4
58.00588	0.9
59.01380	100.0
59.03575	0.4
60.01710	0.8
61.98832	5.1
62.36513	0.3
63.46641	0.4
69.27232	1.8
69.27658	1.5
71.01384	17.4
72.99307	0.9
73.02947	0.5
81.96266	0.4
83.01373	0.6
85.02940	2.8
87.00871	2.0
89.02446	29.2
90.02781	0.6
95.01415	0.8
99.00891	0.4
101.02448	10.6
101.03113	0.7
113.02443	8.3
114.78521	0.4
119.03503	11.8
119.30779	0.4
125.02484	0.4
125.52181	0.4
131.03502	1.8
143.03510	3.0
146.05603	0.4
149.04570	1.6
152.56801	0.4
158.85133	0.4
158.86465	0.5
161.04565	4.4
171.30205	0.4
179.05611	14.7
180.05997	0.8
191.05672	0.7
193.83940	0.4
225.11412	0.6
243.12488	0.8
635.35199	0.5
695.36890	2.2
696.36926	0.7
714.61670	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01717	0.8
60.12482	0.3
61.98829	3.6
66.59934	0.3
71.35749	0.3
71.52730	0.5
78.95904	13.7
80.96500	0.7
83.36307	0.3
130.80119	0.3
152.99553	1.0
169.12480	0.3
185.11845	0.3
205.15958	1.0
214.60970	0.4
253.21786	0.4
255.23366	0.4
267.94641	0.3
285.12689	0.5
342.68317	0.4
441.15417	0.8
653.30524	0.7
677.37689	0.4
695.31049	49.8
696.31396	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	695.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.2
58.00595	0.8
59.01379	100.0
60.01717	0.9
61.98820	1.2
70.34637	0.7
71.01382	11.4
72.01741	0.3
72.99323	1.1
73.02962	0.2
85.02955	1.8
87.00888	0.9
89.02444	19.8
90.02774	0.3
95.01408	0.9
98.19951	0.2
101.02446	6.5
107.32811	0.2
113.02450	5.1
119.03499	9.3
120.03895	0.3
131.03523	1.2
143.03479	2.2
144.03862	0.3
149.04570	1.0
161.04549	2.6
179.05606	9.0
225.43510	0.2
240.75261	0.2
455.27991	0.3
497.27380	1.2
498.68985	0.3
635.34357	0.4
659.33490	0.4
695.36786	3.1
696.36877	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49626	0.2
55.41583	0.2
59.01376	1.2
61.98829	100.0
70.75149	0.2
74.41789	0.2
78.95918	0.8
108.74088	0.2
132.58833	0.2
139.23438	0.2
152.99608	0.9
185.11871	0.2
201.59895	0.2
215.53078	0.2
251.70932	0.2
277.21750	0.4
278.22018	0.3
279.23178	1.1
317.13812	0.2
404.77695	0.2
415.22729	0.4
428.85904	0.3
516.84131	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
59.01379	5.7
61.98827	8.2
66.15959	0.5
70.01244	2.4
71.01385	7.7
73.02954	2.5
83.01383	0.8
85.02940	3.6
89.02412	3.1
95.01376	1.0
97.06600	0.5
99.00871	2.2
99.04514	1.6
101.02435	5.0
113.02451	3.7
119.03523	1.2
129.02046	0.6
161.04514	0.6
163.11192	0.5
167.10733	1.2
179.05695	0.5
191.05554	0.7
207.10234	0.7
210.12074	0.5
216.05341	0.5
223.90276	0.6
225.11302	0.8
228.85226	0.6
243.12285	0.7
319.22757	1.7
345.87506	0.6
467.17130	0.6
479.26352	1.3
497.27548	100.0
498.27884	14.0
574.23285	0.5
659.32666	0.9
662.31000	1.1
663.31165	5.3
695.30255	4.3
696.30750	1.5
700.69855	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.98537	0.2
95.46409	0.1
98.19852	0.2
114.26041	0.1
179.53548	0.1
273.98724	0.1
329.09622	0.1
721.94403	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	693.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.6
57.49735	0.5
58.45638	0.5
59.01379	100.0
60.01714	0.9
61.98829	16.0
65.97575	0.5
70.88927	0.4
71.01379	0.5
78.95911	1.2
83.05046	1.7
93.03464	0.7
98.19939	1.2
108.17666	0.4
109.06613	1.0
149.09686	0.8
163.11232	0.5
191.05743	0.7
207.10239	2.3
209.11882	1.6
249.18617	1.1
299.20010	0.5
313.21783	0.7
325.21835	0.8
332.21582	0.7
333.11899	0.5
347.23813	0.8
365.24835	9.7
365.29230	0.8
366.25311	1.4
382.25232	2.1
383.25882	8.1
384.26270	1.2
391.26376	2.8
403.17734	1.0
409.27487	3.7
502.53693	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01723	1.1
61.98834	10.6
70.33746	1.5
71.01402	0.9
73.61437	0.4
76.19299	0.4
78.95926	1.5
89.02469	0.8
90.41214	0.5
95.05035	0.5
96.37432	0.4
96.96029	0.9
97.02942	0.6
101.02474	0.6
109.06604	3.4
135.08243	0.5
152.99580	1.0
163.11322	1.8
173.04590	0.4
179.07227	0.6
191.05745	0.6
207.10258	9.2
208.10728	0.6
225.11331	8.6
226.11742	0.6
249.18590	6.9
253.09311	1.7
277.21817	1.6
279.23248	0.6
325.21945	0.9
343.22775	0.9
391.26486	1.3
409.27313	2.7
410.28195	0.5
411.63776	0.5
443.19382	0.9
461.20276	2.3
595.29639	0.7
693.39099	3.5
694.39496	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33436	0.8
57.03438	2.9
59.01380	100.0
61.98832	26.1
69.03437	1.3
70.38184	2.4
78.95907	4.5
79.05534	1.3
83.05013	2.4
85.32719	0.8
93.03444	0.9
95.05035	0.9
97.06522	0.7
98.20063	1.0
104.98292	0.7
107.05025	2.6
109.06581	4.0
115.92117	0.7
121.06544	1.3
123.08155	0.8
127.96666	0.7
133.06583	1.5
135.08151	1.2
135.64659	0.8
137.09723	1.5
143.88284	0.7
150.06885	2.7
152.99567	2.5
163.11276	1.1
173.04532	0.9
173.09708	1.3
175.11258	1.3
185.09668	0.9
185.13437	1.1
191.05540	1.1
201.33647	0.8
207.10271	5.1
209.11722	1.1
225.11240	3.5
231.13776	1.1
235.16806	0.9
241.15996	3.8
242.16106	0.8
249.18600	3.9
253.09322	1.1
281.19098	5.6
285.18369	1.1
292.18268	2.5
307.20691	6.4
308.20819	0.8
309.18533	1.1
325.21729	44.4
326.21936	5.0
342.21930	9.5
343.22769	28.2
344.22989	3.0
693.38672	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.4
57.03429	0.6
59.01378	8.4
61.98826	3.3
69.03455	0.4
70.38929	0.9
71.01377	4.3
71.05019	1.2
72.99328	0.4
73.02941	1.3
78.95891	0.7
81.03459	0.6
83.01369	0.9
83.04998	0.5
85.02963	0.8
87.00875	1.1
89.02451	1.9
95.05031	0.5
97.02947	8.8
97.06571	1.1
99.00877	11.3
101.02447	3.2
104.92308	0.3
109.06580	2.9
110.03756	1.6
111.04576	0.4
113.02435	1.6
119.03471	0.5
123.04493	0.9
123.08144	0.6
125.02446	1.1
125.09720	2.8
133.06593	0.4
135.08162	1.7
136.05264	1.5
142.02736	2.4
145.10231	0.6
152.99606	0.5
153.09203	0.5
161.04517	0.9
161.09711	0.8
163.11273	8.7
163.12566	0.6
164.11633	0.4
166.09833	0.3
179.05690	0.4
179.07124	1.9
179.10754	0.7
181.12329	16.9
182.12639	1.1
197.08138	0.8
197.11830	0.7
199.13348	1.1
205.19525	0.7
207.10245	51.1
208.10573	2.5
225.11307	100.0
226.11649	4.8
235.08168	2.2
240.92001	0.4
243.12355	12.9
244.12575	0.8
249.18573	76.0
250.18874	6.1
253.09230	4.0
277.21671	5.4
278.22040	0.6
281.13800	0.4
299.14914	1.0
309.71231	0.4
317.15979	1.5
443.19226	3.8
444.19501	0.4
461.20258	28.2
462.20618	3.6
693.38470	20.9
694.38916	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	693.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05032	0.6
57.03438	0.8
59.01382	29.2
59.55346	0.7
61.98830	8.4
71.01385	7.9
71.60896	0.6
73.02965	1.4
78.95889	1.0
80.02716	0.9
81.03463	1.9
83.05034	2.3
85.02964	1.7
87.13116	0.7
89.02464	5.3
89.13984	0.7
93.03419	0.7
95.01381	1.2
95.05028	3.0
96.96022	0.8
97.02968	4.6
99.00887	1.4
101.02438	6.1
109.06594	21.6
110.03732	2.6
113.02493	3.6
119.03499	1.7
121.06593	1.5
135.08180	3.0
136.05298	1.0
141.43695	0.7
142.02733	1.4
143.03568	1.1
153.12837	0.8
158.31953	0.7
161.04565	1.7
161.09694	2.0
163.11293	18.6
169.12326	1.0
179.05634	1.8
179.10820	2.1
181.12361	2.8
189.09248	4.6
207.10260	72.1
208.10606	4.5
209.11842	0.8
215.47398	0.7
225.11324	100.0
226.11682	6.4
235.08171	1.9
249.18594	54.2
250.18968	3.8
253.09291	13.0
299.15021	0.8
308.41071	0.7
395.29535	0.7
413.30746	0.9
443.19290	7.6
461.20261	21.8
462.20602	2.2
627.46130	0.8
654.06812	0.7
693.38507	23.9
694.38690	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	693.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52933	0.8
55.01883	1.0
57.03446	0.8
59.01138	0.9
59.01382	8.4
61.98834	13.5
71.01380	5.5
71.05015	2.2
73.02953	1.5
79.85311	0.7
81.03485	0.9
83.01385	0.9
83.05016	6.2
87.00873	1.6
89.02449	3.1
95.05031	2.8
97.02934	3.1
97.06583	6.0
98.19880	2.6
99.00877	23.0
101.02426	2.9
109.06569	1.0
109.40968	0.7
112.40305	0.7
113.02444	1.7
117.07019	0.8
119.03471	1.4
125.09692	4.2
127.11294	0.8
129.56274	0.7
131.61633	0.7
135.08183	4.5
151.09923	0.7
153.09196	6.6
161.04585	0.9
163.11293	6.5
171.10231	1.9
179.07220	0.9
181.08704	8.1
181.12328	10.2
191.05583	1.7
197.08217	3.9
197.11807	1.0
199.09608	0.9
199.13347	6.6
207.10271	17.5
209.11838	16.5
210.12157	1.8
215.09285	4.4
225.11310	27.3
226.11583	1.5
227.12839	2.2
243.12369	19.0
244.12773	1.0
253.09195	1.3
360.86005	0.8
451.18018	1.5
461.20291	1.3
479.21426	7.8
480.21564	0.9
643.29517	3.7
661.30762	100.0
662.31006	19.0
693.33301	5.9
694.33350	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	692.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53570	0.2
61.98830	100.0
98.20275	1.1
116.71498	0.2
117.25952	0.2
233.72235	0.2
305.44290	0.2
310.78085	0.2
412.57077	0.2
416.53375	0.2
446.77054	0.2
687.12061	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.35
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.6
61.98829	100.0
64.21410	0.1
71.01385	0.4
85.02952	0.2
89.02472	0.2
98.05186	0.1
101.02437	0.2
173.64252	0.2
191.05685	0.2
209.12178	0.1
213.70874	0.2
225.11427	0.2
242.84273	0.1
250.87128	0.2
278.21820	0.2
278.65253	0.2
470.72815	0.2
641.75159	0.2
657.68719	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	8.3
61.98827	15.4
70.92776	1.3
70.93095	1.6
71.01376	5.7
71.05006	1.4
73.02964	0.8
81.03457	0.8
83.05019	4.9
85.02939	1.7
87.00842	1.1
89.02423	3.8
95.05013	2.8
97.02943	1.5
97.06582	7.1
99.00876	25.3
101.02418	3.2
109.06569	1.7
113.02447	2.3
119.03477	1.8
123.08167	1.1
125.09697	3.0
125.33180	1.0
135.08139	3.7
142.02707	1.1
153.09186	9.7
163.11334	6.5
171.10242	2.7
173.04469	1.1
179.07072	2.2
181.08710	5.5
181.12321	9.0
185.11931	1.1
191.05551	2.1
197.08188	5.0
199.13373	6.6
207.10254	14.6
209.09895	1.4
209.11813	19.5
215.09203	4.8
225.09250	1.6
225.11316	24.9
226.11723	1.8
227.12943	1.0
243.12328	15.0
253.09331	1.9
303.49164	0.8
428.00507	0.9
451.18073	1.6
461.20157	1.2
479.21252	7.0
643.29620	3.2
661.30719	100.0
662.31152	18.1
693.33588	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	692.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
67.00530	0.2
69.92570	0.2
75.50844	0.2
98.20668	0.3
191.90334	0.2
192.99496	0.1
469.48471	0.2
620.74030	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.35
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42562	0.1
59.01371	0.3
61.98830	100.0
62.98520	0.2
69.92593	0.6
77.87988	0.2
78.95909	0.1
91.46014	0.1
94.28647	0.1
98.20600	0.2
104.30387	0.1
152.99614	0.1
157.87001	0.1
471.34860	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01730	0.9
61.98833	5.1
69.45555	1.5
69.45988	1.8
71.01392	1.0
72.12663	0.4
78.95899	4.1
84.42695	0.4
85.02969	0.7
101.02441	0.9
108.71536	0.5
110.98573	0.8
125.99603	0.4
147.75310	0.5
152.99547	3.1
161.04593	0.5
171.10300	1.2
209.11922	1.4
221.19969	0.5
227.12976	1.4
242.09712	0.5
253.21719	1.0
277.21729	32.7
278.21921	3.1
279.23370	3.5
291.23618	0.5
346.62140	0.4
371.20831	1.0
428.42596	0.5
455.16861	3.6
527.38031	0.6
691.27063	0.6
691.38898	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	690.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90345	0.1
59.01378	0.7
61.98832	100.0
66.80704	0.1
69.39324	0.4
69.39745	0.7
71.01400	0.4
73.32658	0.2
85.02970	0.2
89.02454	0.4
90.09393	0.1
97.76006	0.1
98.20361	0.6
101.02459	0.4
113.02454	0.2
125.02412	0.2
152.67351	0.1
171.10278	0.2
293.21225	0.7
397.13528	0.6
415.14471	0.2
492.51886	0.2
520.42371	0.2
533.24304	0.1
630.36237	0.3
701.83856	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.6
57.03423	5.5
59.01382	21.2
60.82135	1.5
61.98832	23.1
69.03443	1.8
70.51466	5.4
71.01382	14.4
71.05000	5.9
73.02937	3.3
75.00856	6.2
76.52399	1.7
83.01376	2.4
83.05006	2.4
85.02930	5.9
87.00839	2.2
89.02457	10.2
90.08293	1.5
95.01361	2.1
97.02934	6.4
97.06577	5.0
99.00296	2.3
99.00884	29.5
101.02437	8.9
101.02992	1.7
102.02773	1.8
109.06557	2.5
113.02450	10.0
119.03489	3.7
123.08170	2.8
125.09721	14.7
127.11274	2.6
135.08087	1.9
142.09897	1.5
161.04527	2.1
163.11285	22.3
171.10204	6.1
181.08662	1.9
181.12349	33.3
185.11824	74.3
185.13464	3.8
186.12073	2.8
197.11787	8.6
199.12064	1.5
199.13411	16.5
200.13757	2.1
201.11230	4.2
207.10255	43.8
208.10612	1.8
209.11702	3.6
223.21313	1.7
225.11305	65.1
226.11612	5.3
243.12367	40.4
244.12627	2.4
253.09262	5.1
262.71808	1.7
263.72479	2.2
289.95413	1.5
317.15961	2.3
331.40964	1.9
348.45642	1.8
455.26370	3.2
461.19952	5.0
465.19482	1.7
479.21371	18.8
480.21585	2.1
575.78815	1.9
631.34894	3.4
633.31238	2.2
645.34625	4.3
647.32770	100.0
648.33258	15.8
649.35956	3.5
659.28961	7.0
663.32050	5.0
691.31738	92.5
692.32074	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24532	0.6
59.01381	3.7
61.98829	10.8
71.23476	0.6
71.52850	0.7
71.92721	0.7
78.95912	1.6
80.96512	1.7
88.98813	2.1
152.99637	0.9
170.90541	0.7
191.05589	1.2
223.09702	1.0
249.18372	0.7
299.04526	1.8
438.12985	0.9
451.14050	0.8
452.14917	1.1
481.15109	4.4
495.16794	8.9
496.16754	1.9
498.16776	1.2
508.17343	0.9
509.18246	1.3
512.14014	0.9
513.45026	0.7
523.20166	0.9
536.17084	1.5
537.17230	0.9
540.16479	2.1
541.16852	1.0
551.19397	26.9
552.19818	6.1
554.19092	2.5
572.15070	1.5
586.17230	1.6
595.18707	3.6
596.18146	1.1
627.20966	100.0
628.21240	24.6
630.21265	6.1
691.38458	1.3
712.72913	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78433	0.9
55.01878	5.0
57.03433	3.5
58.00589	2.8
59.01381	100.0
60.01717	1.4
61.98825	7.6
68.10314	1.1
69.03455	1.5
71.01382	67.4
72.99306	3.2
73.02950	14.5
75.00874	1.0
83.01385	8.6
84.02140	0.9
85.02950	25.7
87.00874	4.9
87.04529	3.2
89.02446	29.6
95.01390	6.6
97.02941	2.9
98.20279	7.1
99.00878	5.3
101.02444	30.7
111.00858	1.4
112.70314	0.9
113.02449	34.6
114.02790	1.1
119.03495	10.9
123.89989	0.9
124.01675	1.3
125.02435	3.5
127.34727	1.0
129.01947	1.1
131.03461	1.6
134.96776	1.0
136.94731	1.0
143.02573	1.0
143.03467	5.3
149.04539	1.2
159.02950	1.6
161.04553	10.8
179.05609	4.0
467.30148	9.3
468.30560	1.4
485.31213	11.7
486.31281	2.7
555.32019	1.4
629.35382	82.8
630.35828	17.8
647.36432	78.8
648.36871	14.4
689.37415	6.5
690.37866	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19295	0.7
55.01863	4.4
55.58638	0.7
55.65282	0.6
57.03440	4.5
58.00592	2.5
59.01380	100.0
65.13479	0.7
69.03458	1.8
71.01382	66.9
72.01711	1.0
72.99310	3.2
73.02943	15.2
75.00877	1.2
76.15905	0.7
82.40056	0.8
83.01392	7.6
85.02951	30.8
85.03469	1.6
87.00878	7.1
87.04520	2.6
89.02445	26.4
90.50204	0.8
95.01387	8.0
97.02957	2.6
99.00864	6.0
101.02443	36.5
101.06094	1.0
111.00887	1.3
112.01671	1.0
113.02450	33.4
119.03502	9.6
124.01680	1.8
125.02460	5.0
129.01949	1.5
131.03552	2.0
143.03520	6.1
159.03021	1.7
161.04553	9.4
165.78020	0.7
170.93271	0.7
177.37543	0.8
179.05652	3.2
192.65753	0.8
219.74457	0.7
220.14671	0.7
467.29996	7.5
468.30667	1.3
485.31140	10.8
486.31546	1.5
562.86407	0.9
599.34650	0.9
629.35400	66.6
630.35785	14.4
647.36407	60.2
648.36731	13.0
689.37573	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	689.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	6.0
70.37321	2.0
70.60116	3.9
70.60438	2.7
78.95905	26.4
89.75723	1.8
97.02950	4.8
99.00924	2.5
107.93015	2.3
142.02687	2.4
152.99567	42.7
163.11261	4.0
171.00629	4.1
181.12314	17.8
207.10287	33.5
208.10590	3.3
225.11317	74.1
226.11623	4.9
227.03104	3.1
245.04303	2.5
252.09085	2.1
253.21744	24.8
279.23245	4.4
361.10559	6.4
435.14200	5.1
453.15323	100.0
454.15561	8.2
604.69489	2.4
689.36664	38.2
690.37000	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	688.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.4
61.98824	6.4
65.00336	1.1
69.95840	4.7
85.02988	1.1
93.03460	1.9
96.42061	1.0
96.95981	1.4
98.20621	1.1
107.01411	1.8
108.02149	1.5
121.02940	2.4
128.03554	1.1
148.01688	1.8
151.00363	8.2
173.04555	1.6
178.99794	4.7
181.49455	0.9
191.05609	9.7
207.25079	1.1
226.02727	1.7
227.03432	2.3
243.02916	7.5
254.02220	1.9
255.02988	23.0
256.03265	3.0
271.02448	51.8
272.03000	5.9
273.03876	1.2
290.96146	1.2
299.01984	1.7
300.02740	100.0
301.03320	20.0
318.69687	1.0
381.85742	1.0
463.08664	1.7
497.10837	1.3
625.14069	88.9
626.14478	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	689.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
55.69561	1.1
57.03429	1.3
59.01375	12.8
61.98830	23.8
69.23865	9.3
71.01370	8.4
71.05013	2.1
72.44726	1.1
74.10221	1.3
76.55376	1.2
79.86667	0.9
80.83093	1.0
83.01421	1.1
85.02936	1.8
87.00861	1.9
89.02450	5.2
95.01392	1.5
96.95941	1.2
97.02963	2.7
97.06580	1.6
99.00883	17.8
101.02422	4.3
110.90466	1.1
113.02413	3.7
115.27788	1.1
123.08154	1.9
125.09718	4.7
161.04515	1.3
163.11281	6.7
165.12816	2.4
181.12357	16.6
183.13907	19.8
197.11845	2.2
199.13457	10.1
207.10265	25.3
225.11320	36.8
226.11623	3.5
227.12883	2.5
243.12346	24.6
253.09151	2.0
337.06982	1.2
461.20056	3.0
463.21686	1.8
479.21304	7.6
629.35553	5.1
645.34930	5.8
646.35175	1.2
647.36176	2.9
671.32867	6.3
672.33575	1.3
689.33844	100.0
690.34314	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	687.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05597	0.7
55.01628	0.6
55.01873	3.6
57.03450	4.4
58.00595	2.1
59.01381	100.0
60.01720	1.8
61.98835	10.6
62.85130	0.7
67.46793	0.7
69.03440	1.7
71.01384	58.8
72.01745	1.1
72.99314	2.1
73.02950	13.7
75.00867	1.4
82.58752	0.7
83.01383	6.5
83.05047	1.3
85.02951	31.7
86.03297	1.0
87.00900	4.3
88.39257	0.6
89.02450	19.8
90.02783	1.0
93.03476	1.0
95.01395	5.2
96.96022	2.3
97.02970	2.5
97.06706	0.6
98.20770	1.3
99.00868	6.3
100.04074	0.8
101.02446	32.2
102.02772	1.3
111.00896	1.1
113.02451	29.7
114.02752	1.7
118.72398	0.7
119.03518	8.7
123.08147	0.7
125.02440	3.0
125.45251	0.7
129.01962	1.7
131.03532	1.3
143.03499	4.3
149.04507	0.8
158.16823	0.7
159.03024	2.1
161.04561	11.1
169.08694	0.7
171.10368	0.9
173.04530	1.1
178.96391	0.7
179.05612	3.6
181.12340	0.8
183.13899	1.0
191.05608	3.8
197.11862	6.9
199.13440	1.1
209.11874	1.7
216.89122	0.7
225.11298	2.0
227.12886	3.6
241.10841	0.8
251.89775	0.7
253.09338	0.8
303.23407	2.0
311.21930	0.8
407.24506	4.8
425.25455	13.6
426.25931	1.7
447.27545	6.7
448.28091	0.9
465.21927	1.3
465.28497	27.6
466.28763	4.2
467.26654	1.9
483.29636	6.2
484.30231	0.8
507.29388	3.5
591.31360	0.9
597.32959	1.0
626.32422	1.1
627.33722	45.1
628.34149	7.3
644.34290	0.9
645.34747	48.1
646.35114	8.9
649.37451	1.4
687.32837	14.4
688.31958	2.0
688.40454	0.9
704.12665	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.4
57.03451	2.8
58.00598	2.0
59.01379	100.0
60.01714	0.8
69.03448	0.6
71.01380	52.3
72.01720	0.8
72.99307	3.5
73.02948	10.4
79.42377	0.6
83.01379	6.6
85.02950	19.6
87.00869	3.5
88.52925	0.7
89.02444	31.4
95.01395	5.3
97.02960	1.6
98.20693	0.9
99.00887	1.9
101.02440	27.5
103.02321	0.7
112.01707	0.8
113.02453	33.8
114.02778	1.1
119.03502	13.1
124.01662	1.8
125.02437	2.5
129.01952	1.4
131.03520	1.2
143.03490	4.1
149.04567	1.2
156.94507	0.6
159.03021	0.9
161.04564	8.7
161.88058	0.6
170.54985	0.6
179.05627	4.8
237.52023	0.6
248.47580	0.6
261.17020	0.6
288.82578	0.7
465.28580	5.2
466.29218	1.0
483.29752	5.3
484.30005	1.1
507.29520	0.8
553.30444	0.8
563.31592	0.7
591.31409	0.9
627.33838	55.7
628.34174	11.3
645.34888	50.9
646.35229	9.4
687.35913	4.6
688.35876	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.9
57.03448	3.5
58.00588	2.1
59.01379	100.0
61.98843	1.0
69.03465	1.2
71.01381	48.4
72.01737	1.1
72.99324	2.8
73.02943	10.3
81.03392	0.6
83.01376	5.5
85.02951	20.6
87.00875	3.7
89.02442	31.5
95.01395	6.2
97.02988	2.2
98.19757	1.3
99.00890	3.8
99.04546	0.6
100.27896	0.7
101.02441	27.7
101.03104	1.4
111.00905	2.3
112.01643	0.6
113.02449	31.7
119.03506	11.3
124.01684	2.0
125.02468	2.8
129.01915	1.1
131.03525	1.4
143.03505	5.5
149.04576	1.4
150.59523	0.8
161.04538	4.6
168.70822	0.6
179.05623	3.3
286.21649	0.7
369.03333	0.8
465.28500	6.9
483.29633	13.3
484.30234	1.0
511.10907	0.8
591.32019	1.2
627.33826	70.6
628.34082	11.7
628.43518	1.0
633.20831	0.8
645.34875	64.5
646.35425	9.1
683.18176	0.8
687.36017	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	687.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05453	0.7
51.05980	0.8
52.24561	0.7
52.38572	0.7
52.73219	0.9
55.01876	3.8
57.03439	3.4
58.00610	1.3
59.01381	58.1
60.01686	0.9
61.98820	3.2
67.16661	0.8
69.03456	2.0
70.10776	0.7
71.01382	43.6
71.05021	3.4
72.99314	1.4
73.02946	10.9
75.00828	0.8
81.03436	1.4
83.01373	6.0
85.02455	1.3
85.02953	19.4
86.03306	1.4
87.00859	5.4
89.02444	17.4
93.03459	1.0
95.01389	4.4
97.02941	7.7
97.06580	2.8
99.00877	23.7
101.02442	23.2
109.06564	1.9
110.03721	1.6
111.00856	1.3
113.02451	21.8
113.46521	0.8
117.38971	0.8
119.03488	5.6
123.08152	2.4
125.02453	4.7
125.09706	7.7
129.01906	0.9
135.08192	1.7
142.02748	1.6
143.03459	3.3
145.05099	1.2
151.11325	0.7
153.12804	1.6
159.03027	1.0
161.04558	8.4
161.09674	1.5
163.11285	12.7
164.11656	0.8
179.05545	2.2
181.12349	25.3
182.12665	1.0
191.05618	1.6
197.11797	3.6
199.13377	10.6
199.80518	0.9
207.10257	41.8
208.10571	2.8
217.07018	1.1
225.11308	55.6
226.11539	2.8
227.12840	1.2
235.08192	3.9
240.19360	0.9
243.12341	22.8
244.12714	1.6
253.09303	1.9
299.14752	0.8
309.24725	0.9
385.55655	0.8
447.27536	1.5
461.20071	5.8
465.28806	4.4
479.21414	7.7
483.29492	5.1
516.92737	0.9
627.23260	1.2
627.33783	38.9
628.34247	7.0
645.34888	38.9
646.35156	6.5
669.30542	1.0
687.32281	100.0
688.20874	1.1
688.32629	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	687.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60279	1.8
57.03441	1.9
59.01377	12.0
61.98800	1.5
69.03441	4.0
71.01381	10.3
71.52038	2.1
72.99331	1.8
73.02944	3.0
75.00873	100.0
75.24265	2.0
83.01362	2.3
85.02932	5.1
87.00862	2.6
89.02427	5.0
98.20174	1.8
101.02422	6.8
111.91523	1.9
113.02416	4.5
153.12912	1.8
161.09671	2.1
165.12830	5.3
171.02409	1.7
171.10252	1.7
179.10776	2.7
183.13901	46.2
184.14241	3.0
197.11833	50.1
198.12137	2.3
209.11871	2.5
227.13004	2.2
230.48656	1.6
241.10774	4.6
253.09253	2.2
260.91159	2.0
305.24847	1.6
477.19647	2.8
483.29224	2.9
525.30438	8.5
643.33148	3.8
645.25189	2.2
645.35156	2.4
651.39441	5.4
669.31024	4.8
687.32227	98.1
688.32690	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	686.26
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	1.4
59.01379	36.4
60.01708	0.8
71.01380	21.3
72.99308	1.7
74.65474	0.3
83.01382	1.0
85.02954	4.3
87.00823	0.6
89.02444	23.2
94.79604	0.4
95.01374	1.5
96.95985	0.4
101.02440	14.8
102.02778	0.5
113.02451	6.9
119.03498	9.4
131.03477	0.7
143.03558	0.6
161.04640	0.5
161.08167	1.3
179.05637	1.2
192.01253	1.0
267.39474	0.4
306.09204	1.6
323.13458	100.0
324.13791	9.9
362.11606	0.4
548.73022	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67434	0.1
59.01377	0.8
61.34272	0.2
61.98827	100.0
62.98534	0.2
63.78939	0.1
69.25903	0.1
69.67978	0.9
71.01380	0.4
72.37782	0.2
73.02954	0.2
79.51967	0.2
81.52328	0.1
85.02954	0.3
89.02464	0.2
96.95998	0.1
98.20542	0.2
101.02450	0.4
111.04569	0.1
113.02418	0.2
127.05189	0.2
139.33017	0.2
151.11272	0.2
157.65698	0.2
166.05066	0.2
183.13818	0.2
191.05647	0.5
218.03168	0.1
284.32025	0.1
291.59912	0.2
403.23407	0.3
421.24405	1.5
422.25024	0.3
489.27136	0.7
513.23206	0.2
687.37244	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96291	2.3
59.01382	46.1
61.98827	15.3
71.01383	30.0
72.99302	3.4
73.02961	6.7
78.95912	4.5
82.78275	2.2
83.01397	3.1
84.92255	2.1
85.02965	7.5
87.00871	7.4
89.02448	24.8
93.03474	3.2
95.01336	3.4
97.02959	7.6
101.02451	25.0
113.02459	11.1
116.96504	2.6
119.03512	8.4
125.02441	9.1
133.77737	2.5
143.03502	5.6
156.02121	2.5
161.04568	4.7
179.05666	5.7
191.05574	5.9
227.20148	73.4
227.22321	4.7
228.20517	5.5
235.08170	11.5
249.43588	2.8
251.20137	2.8
253.09291	3.8
255.23285	11.5
279.23288	13.3
281.09543	3.1
287.07867	4.0
391.22156	3.0
395.27325	2.6
397.13510	100.0
398.13641	5.9
415.14587	31.1
625.34271	3.7
630.36090	3.3
646.02246	2.6
653.26605	3.3
685.32098	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	685.343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.2
55.21885	0.6
57.03458	3.6
57.18894	0.7
58.00602	1.0
58.79969	0.6
59.01382	37.6
61.59052	0.8
64.48278	0.6
69.03459	1.0
71.01385	32.5
71.30078	1.2
71.30415	0.9
72.99303	2.0
73.02950	9.6
75.00865	0.8
83.01392	5.5
85.02951	16.9
87.00864	1.9
89.02437	7.8
95.01386	3.2
97.02941	1.2
99.00877	2.7
99.04521	1.3
101.02444	20.6
113.01722	1.1
113.02456	15.8
119.03499	2.1
125.02465	1.1
129.01915	0.9
131.03471	1.1
143.03488	1.6
161.04585	1.4
213.61411	0.7
226.56818	0.7
230.77325	0.7
235.02161	0.8
262.27432	0.7
301.21698	1.8
303.23294	14.5
304.23621	1.6
319.22833	4.7
463.27032	12.0
464.27313	2.2
481.28046	100.0
482.28354	14.4
505.28113	2.0
523.29095	83.6
524.29523	12.3
565.29431	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95441	0.4
55.01879	2.2
56.99839	0.3
57.03447	2.9
57.16328	0.3
58.00592	3.1
59.01378	100.0
60.01723	1.0
61.98827	4.6
65.72312	0.4
67.01892	0.5
68.99802	0.4
69.03465	1.0
69.26828	0.8
69.27234	2.6
71.01379	64.0
72.01735	0.8
72.99307	4.3
73.02945	13.5
75.00864	0.7
76.43551	0.4
83.01386	6.5
85.02950	20.9
86.03300	0.7
87.00871	4.4
89.02444	38.5
90.02796	0.4
93.03484	0.7
93.31426	0.3
95.01382	6.9
96.96014	0.7
97.02956	1.3
99.00877	2.7
101.02437	31.2
102.02816	0.7
111.00891	1.4
113.02448	36.4
114.02777	1.2
115.04008	0.6
116.05428	0.3
119.03502	15.4
120.03858	0.5
124.01730	0.8
125.02469	2.0
129.01944	1.0
131.03465	2.0
141.01945	0.9
143.03508	4.5
149.04530	1.0
159.03033	0.7
161.04561	7.1
179.05632	5.4
191.05623	5.4
247.67166	0.4
306.09247	0.4
319.22852	0.5
370.58789	0.3
445.25998	1.0
463.27036	7.5
464.27148	1.3
481.27954	9.8
482.28320	1.2
505.28226	0.7
523.29340	1.6
551.27869	0.6
561.30432	0.7
589.30084	1.0
625.32227	47.1
626.23676	0.3
626.32599	9.4
643.33295	55.9
644.33667	11.0
685.33606	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	685.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49700	0.7
55.01875	3.4
57.03447	2.7
58.00591	3.3
59.01377	100.0
61.98821	5.7
69.03461	0.9
71.01378	67.3
72.01722	1.3
72.99303	4.6
73.02943	12.3
73.68855	0.7
75.00861	0.9
83.01388	5.5
84.02181	0.9
85.02950	19.2
87.00864	3.8
89.02441	37.4
91.06825	0.7
92.58434	0.8
95.01401	6.7
96.25314	0.9
96.96033	2.8
97.02969	1.3
98.85222	0.7
99.00883	2.8
101.02439	29.4
111.00884	2.1
113.02449	33.4
114.02722	1.2
115.92104	1.0
116.92891	1.1
119.03494	14.7
124.01708	1.3
125.02445	1.9
129.02003	1.0
131.03558	2.0
143.03499	6.3
149.04559	0.8
152.60480	0.8
161.04578	5.9
168.05275	0.8
179.05606	5.3
191.05641	1.2
212.90866	0.7
293.72998	0.8
445.25690	1.0
463.27145	8.7
464.27356	0.9
481.28046	9.9
482.28311	1.5
485.31241	1.0
523.29187	2.0
589.30615	0.9
625.32251	48.9
626.32581	9.6
643.33295	59.7
644.33588	9.2
647.36243	19.3
648.36755	3.7
649.37164	5.5
685.33820	6.3
686.33313	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	685.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
57.03439	1.4
57.96800	0.6
59.01382	4.8
61.98828	18.4
69.03452	4.3
69.13800	2.1
69.14214	5.1
71.01379	7.3
71.05012	2.3
72.99305	9.2
73.02919	0.7
74.56978	0.7
83.01399	0.7
85.02938	1.6
87.00899	0.8
88.98762	0.7
89.02423	2.7
89.56226	0.7
97.02944	4.2
97.06614	0.9
98.19882	1.5
99.00891	3.2
101.02445	4.1
109.06568	0.7
110.03748	1.0
113.02418	1.3
115.74016	0.6
119.03489	1.3
123.08138	1.1
125.09728	3.3
135.08110	0.8
136.05281	1.0
142.02672	1.5
151.11288	1.8
152.63182	0.7
153.12839	1.3
161.04552	1.8
161.09717	4.5
163.11293	4.2
179.10777	9.2
181.12317	11.2
182.12720	0.8
185.11774	2.1
192.71515	0.6
197.11816	63.0
198.12154	3.4
207.10246	25.8
208.10646	1.4
217.84146	0.7
223.09605	1.2
225.11305	33.1
226.11606	1.8
237.11188	1.3
241.10751	3.1
243.12331	2.0
253.09253	2.3
295.80768	0.8
405.22729	0.9
457.27933	1.0
459.18900	1.1
461.20352	2.1
477.19745	3.4
504.06006	0.7
523.25110	0.7
597.33112	1.4
629.35223	2.0
641.31537	3.4
685.30719	100.0
686.31152	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	683.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39388	1.0
53.90080	0.9
57.03182	1.0
57.03454	5.0
59.01379	5.4
61.98831	40.8
62.26733	1.1
64.55309	0.8
67.29465	0.9
69.03454	1.0
71.01366	4.1
71.54761	1.3
73.02937	2.7
78.95901	2.0
80.96529	1.4
83.05032	1.9
85.02914	1.2
87.00885	2.0
95.05043	1.3
97.06596	15.4
101.02467	5.4
113.02399	2.7
123.08184	9.0
125.09727	85.9
126.10036	3.6
145.05113	1.3
152.99565	1.4
161.04524	1.3
162.06941	1.0
169.08762	2.0
177.09242	1.2
187.08107	1.9
187.09766	33.0
188.10039	2.2
197.07158	1.6
211.08784	1.4
216.29848	0.9
225.06659	1.6
226.07423	2.0
235.08221	2.9
237.06783	1.1
239.08228	1.0
251.20186	1.2
253.06502	1.0
253.09355	3.0
255.23280	3.3
256.23611	1.1
267.71378	0.9
277.21713	51.4
278.22067	5.3
278.24600	1.1
405.17657	6.0
423.18616	6.4
449.19901	1.1
477.19217	1.8
490.16254	1.4
491.17975	1.2
504.18210	4.7
505.18655	4.7
506.19177	3.7
507.19925	1.4
521.35181	1.2
545.18378	1.4
549.16943	1.3
565.20996	1.2
592.23022	3.2
593.23956	3.1
651.24554	49.1
652.25000	20.8
653.25836	3.2
683.27142	35.8
683.39984	100.0
684.27515	11.3
684.40356	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.9
59.01374	7.2
59.97138	0.6
61.98824	7.2
62.13797	0.8
71.01380	4.9
72.99305	0.7
74.68034	0.6
77.47624	0.6
78.95918	1.9
85.02967	1.2
87.00890	0.9
89.02454	4.6
92.90916	0.8
95.05051	1.1
97.06588	13.4
98.06928	0.6
101.02452	2.5
108.40514	0.6
113.02422	1.6
119.03534	0.8
123.08162	8.0
125.09718	100.0
126.10051	3.2
143.10889	0.9
148.92780	0.6
161.04584	0.7
167.10693	0.8
169.08702	2.0
179.05614	1.2
187.09747	73.7
188.10054	3.1
209.11879	0.7
253.09273	2.8
255.23273	2.9
261.13309	0.9
277.21704	21.2
278.22122	1.9
278.34708	0.7
382.14273	0.7
405.17722	5.1
406.18417	0.9
423.18713	19.0
424.18951	1.1
555.28467	0.7
683.40051	92.5
684.40277	20.7
711.42383	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	10.0
61.28196	1.0
61.98584	0.9
61.98832	9.7
70.39001	3.4
71.01382	15.5
72.99310	2.3
73.02945	3.3
78.50095	0.9
83.01382	1.0
85.02959	6.4
85.24265	0.9
89.02464	4.4
91.93881	0.9
95.01421	1.0
99.00874	2.1
101.02454	7.7
110.19292	0.8
113.02450	5.4
119.03533	1.8
157.28539	0.9
176.06407	0.9
193.82477	1.0
201.11362	0.9
217.34201	1.0
255.23244	0.9
277.21371	1.0
282.82172	1.0
319.59305	0.9
420.64471	1.1
464.54968	0.9
476.88770	1.2
485.31165	100.0
486.31552	14.6
529.78326	1.0
537.33282	1.7
623.41309	1.4
683.38904	11.6
684.38098	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44025	3.3
59.01352	4.2
61.98829	12.7
71.11086	7.4
78.95901	8.6
106.06628	17.0
119.05015	4.5
121.02961	18.8
132.04471	4.0
134.06091	7.2
136.14418	3.6
151.72064	3.7
163.04086	4.2
165.01921	19.8
171.10214	8.0
181.18001	3.8
249.18332	4.7
255.23238	11.9
277.21774	17.8
279.23318	10.8
417.93210	4.0
477.19061	4.4
505.18762	14.6
516.35406	5.5
553.61694	4.5
577.20856	7.6
591.22156	8.8
593.24133	7.3
619.22357	8.3
619.98688	4.2
624.21790	4.5
651.24591	97.6
652.25122	40.7
653.26312	9.6
683.27240	100.0
684.26892	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52133	0.6
56.81062	0.5
58.02978	6.3
59.01377	0.9
60.03749	0.5
61.98824	1.1
70.02979	5.7
71.01379	0.6
71.53075	0.6
72.00900	1.9
72.04538	1.2
74.02473	37.8
79.95716	0.6
93.64077	0.5
96.77556	0.5
96.95991	0.8
98.02485	9.8
116.03547	8.5
116.05062	15.2
117.03876	0.5
117.05390	0.6
122.06086	0.5
130.06606	2.0
142.06641	3.7
159.09286	2.7
183.09256	1.0
186.05559	0.9
190.08379	0.5
191.05603	1.3
201.10448	2.8
201.12083	0.7
203.08255	40.1
204.08542	2.8
224.76855	0.5
245.09286	100.0
246.09630	7.1
289.08096	0.6
356.29407	0.6
387.20819	0.5
626.79333	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.6
61.98833	14.8
67.47577	0.9
69.35362	7.8
78.58625	1.1
78.95889	1.8
79.64540	0.9
82.93227	0.9
90.30724	0.8
92.31259	1.0
92.54134	0.9
98.19866	1.7
108.08181	1.4
126.39404	0.9
130.34064	1.0
146.08199	1.1
183.05565	1.1
197.07239	4.9
198.05562	1.1
209.07245	1.3
211.08705	1.7
215.08224	1.2
223.12462	1.2
224.46928	1.0
225.06709	2.6
225.13963	2.9
226.07365	3.0
227.08327	2.2
237.06682	1.6
239.08206	1.1
241.05780	0.9
243.07784	1.3
251.08168	1.2
251.20079	1.1
255.23305	2.9
265.71118	0.9
277.21759	5.0
303.10068	0.9
311.10239	1.4
367.59607	1.0
434.17340	1.3
449.19644	1.4
477.19095	3.6
478.20160	1.5
490.16824	3.2
491.17368	2.1
504.18018	9.7
505.18591	10.1
506.18939	3.6
526.56409	1.2
545.18591	2.8
564.20313	1.2
577.20685	1.8
591.22577	4.5
592.22870	2.8
593.23553	2.2
644.48376	1.0
651.24597	100.0
652.25104	31.7
653.25867	3.6
683.27106	29.4
683.36096	1.4
684.27649	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	682.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.3
60.01711	0.6
61.01821	0.7
61.98830	100.0
62.98527	0.2
71.01372	0.9
71.53745	0.2
72.01730	0.2
75.92419	0.1
85.02978	0.2
89.02442	1.3
90.02767	0.3
91.02882	0.2
94.79938	0.1
96.95982	0.1
101.02460	0.6
102.02776	0.1
111.83120	0.1
113.02469	0.4
114.02770	0.1
119.03514	0.5
131.03467	0.1
179.05641	0.4
180.05975	0.2
181.06071	0.2
200.88870	0.1
235.25557	0.1
355.56265	0.1
647.36670	0.4
682.36743	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	681.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26056	0.9
52.38219	1.0
57.03411	1.0
59.01373	8.1
61.98830	8.6
69.57155	6.0
71.01384	5.9
78.95901	2.4
85.02956	1.3
89.02441	5.1
97.06598	2.4
98.20631	1.9
101.02433	4.9
113.02434	2.0
115.54160	1.0
151.11290	15.3
169.12335	100.0
170.12666	5.6
171.10257	1.9
185.11868	2.1
195.10243	2.0
209.11797	1.3
213.11325	14.4
214.11662	1.3
235.08214	2.1
245.51062	1.1
249.18593	24.1
250.19000	2.1
253.09309	3.4
253.21709	1.8
277.21771	5.9
394.33557	1.1
431.18951	3.6
445.23444	4.0
449.20270	12.9
450.20044	1.5
519.33783	1.2
681.38507	86.9
682.38806	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	681.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	33.6
61.98834	3.0
69.92795	4.1
71.01379	13.4
73.02946	3.1
78.36539	0.9
83.01403	1.5
85.02943	5.2
87.00864	1.7
89.02441	8.6
97.36010	1.0
99.00894	1.3
101.02436	8.9
113.02445	6.3
119.03500	3.3
143.03502	1.6
149.65514	1.0
159.03024	0.9
161.04556	3.2
179.05592	3.8
188.73965	0.9
235.08189	1.1
429.71533	0.8
483.29712	6.4
485.59378	1.0
645.34900	100.0
646.35278	21.1
681.32458	14.4
682.32678	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	680.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27531	0.2
59.01385	0.4
59.53767	0.3
61.98830	100.0
70.37412	0.8
72.73796	0.2
87.00879	0.3
91.20817	0.2
98.39363	0.2
103.89187	0.2
113.02475	0.3
141.02007	0.3
299.76620	0.2
320.49490	0.3
351.21570	0.3
433.30225	0.3
441.66476	0.3
492.29193	0.3
492.36816	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96989	0.2
54.17430	0.3
55.36018	0.2
59.01373	1.2
60.54738	0.2
61.98829	100.0
71.53651	0.4
83.80920	0.2
85.02936	0.3
89.82485	0.2
108.42114	0.2
113.02416	0.5
173.04662	0.4
191.05566	0.3
228.22375	0.3
330.57996	0.2
401.96289	0.3
482.28333	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.5
61.98821	0.4
66.99473	0.3
69.42413	1.7
69.42819	0.8
71.01376	3.7
71.32090	0.3
72.99267	0.3
73.02962	0.5
84.56363	0.3
85.02940	1.7
87.05666	0.4
88.86813	0.3
89.02450	1.3
90.70564	0.3
93.03440	0.8
94.19200	0.3
95.01421	0.4
101.02446	1.5
108.02164	0.8
109.02952	0.3
113.02457	1.8
119.03524	0.6
121.02951	3.0
122.03723	2.2
123.04490	0.4
124.01671	0.4
125.02483	0.4
127.05217	0.3
131.53047	0.4
134.03717	0.6
135.04468	0.4
136.01659	54.2
137.02081	1.7
149.06058	0.4
151.04004	91.1
152.04346	4.0
154.02582	0.3
159.02989	0.4
159.04517	0.6
160.05229	0.8
161.02472	0.4
161.04567	4.0
162.03233	0.8
163.04041	0.8
169.57585	0.3
175.03906	0.5
175.07614	1.4
176.58998	0.3
177.05589	0.9
189.05600	0.4
190.06247	0.3
191.05598	2.4
253.09314	0.3
296.10434	0.4
311.12912	0.5
339.12476	0.5
342.11151	4.5
343.11325	0.4
348.20895	0.3
357.13419	100.0
358.13776	10.4
519.18604	1.4
567.70135	0.3
681.32513	0.6
710.90430	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02282	0.2
51.65644	0.3
57.03442	0.2
58.00599	0.9
58.22069	0.2
59.01379	100.0
60.01719	1.0
71.00298	0.8
71.01382	13.3
72.99316	0.9
73.02964	0.3
83.01361	0.4
85.02943	2.0
87.00900	1.1
89.02447	22.3
90.02785	0.4
95.01408	0.9
101.02445	8.0
113.02453	5.8
114.02807	0.4
119.03507	9.1
120.03850	0.3
121.20097	0.2
131.03516	1.5
133.17084	0.3
142.82967	0.2
143.03516	2.8
149.04596	0.9
161.04547	2.9
179.05612	9.2
180.06090	0.3
192.79143	0.2
258.14536	0.2
277.26306	0.2
679.36731	3.1
680.37891	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.6
57.03440	2.1
57.20909	0.6
58.00596	3.4
59.01377	100.0
60.01705	1.2
61.98823	0.9
70.85499	1.6
71.01378	61.5
72.01733	1.1
72.99307	4.7
73.02950	1.8
73.26797	0.7
74.02483	1.2
83.01388	3.6
83.02512	1.3
85.02946	11.5
87.00882	2.8
89.02442	63.1
93.03506	0.7
95.01386	4.8
96.00903	1.7
99.00883	1.3
99.05644	0.9
101.02437	31.8
101.03106	1.6
102.02795	1.0
113.01643	0.7
113.01810	0.5
113.02448	22.0
119.03498	26.3
125.02488	0.8
125.06039	0.8
131.03519	2.2
143.03503	4.8
149.04568	2.1
153.09195	1.2
161.04555	5.5
169.08548	0.7
179.05608	10.1
191.05577	0.9
223.11983	0.8
228.17049	1.7
231.64366	0.7
245.09373	1.5
294.27252	0.7
376.24240	1.2
431.22653	3.1
499.29297	4.0
517.30078	17.9
518.30499	2.4
635.32574	3.2
679.35394	97.0
680.35724	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	679.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.4
57.03457	6.1
58.00595	6.0
59.01381	100.0
60.01720	1.5
61.98822	4.9
68.99831	3.2
69.20766	12.7
71.01383	79.1
72.99306	15.5
73.02943	7.9
75.00836	1.2
81.04494	1.1
82.32843	1.1
83.01392	8.7
85.02956	23.9
87.00873	8.1
89.02445	72.5
95.01387	5.6
97.02937	1.5
99.00876	11.7
101.02447	56.3
106.33432	1.1
108.12414	1.2
111.00877	6.7
113.02457	37.2
116.92881	4.7
117.01972	1.6
119.03508	34.5
120.03901	1.7
129.01952	16.8
131.03529	3.7
141.01987	7.8
143.03503	4.6
149.04530	2.3
151.80055	1.2
159.03008	8.5
159.10300	1.7
161.04546	9.1
171.10367	1.6
177.04063	10.5
179.05620	12.5
187.09723	2.5
281.17511	2.6
321.15411	6.4
333.32693	1.1
339.25446	1.7
383.20779	2.7
397.13452	1.4
415.14578	2.0
499.29037	1.9
501.30362	1.6
517.30450	3.9
645.35016	9.3
646.36133	2.8
661.34528	1.5
679.35547	53.2
680.35748	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	679.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85851	1.3
58.00580	5.1
59.01378	100.0
61.98827	58.2
70.27715	1.8
70.28085	4.5
71.01377	66.9
72.99301	6.8
73.02946	4.2
83.01392	3.0
85.02951	15.2
86.25602	1.4
87.00846	7.0
89.02439	69.5
93.03484	2.1
95.01395	7.0
97.06545	1.9
99.00877	13.3
101.02443	44.0
109.06586	6.9
111.00884	4.3
113.02443	29.4
117.52711	1.3
118.07383	2.0
119.03503	33.6
123.25493	1.4
131.03482	4.3
132.47850	1.8
141.01923	3.4
143.03479	6.6
149.04485	3.2
153.09094	1.7
159.02942	2.6
161.04575	11.1
162.15181	1.5
171.10162	1.7
179.05626	13.1
199.13387	2.8
207.10258	4.9
225.11287	3.6
226.11699	3.0
243.12372	3.5
317.15891	1.7
481.21921	2.1
499.29132	4.8
517.29761	2.0
552.28680	1.7
661.30304	4.1
671.09698	1.6
679.30359	30.6
680.32324	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	679.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62753	2.7
55.01877	4.9
57.03436	3.9
59.01376	100.0
61.98830	39.1
62.90097	2.4
69.42894	6.6
69.43315	14.0
71.01009	4.9
71.01381	79.7
72.99294	9.6
73.02932	6.0
75.00893	2.7
83.01378	5.7
85.02953	17.1
87.00875	10.5
88.98823	3.0
89.02439	63.6
95.01405	6.2
97.02972	3.6
99.00900	20.4
101.02449	51.7
101.47948	2.7
106.26916	3.1
111.00825	6.5
113.02441	32.6
116.92821	6.1
119.03495	32.4
125.02422	2.8
125.09677	3.3
129.01930	9.4
134.51669	2.5
141.01889	5.0
143.03522	4.2
153.09175	4.3
159.02948	3.4
161.04535	10.8
171.10292	4.2
177.04057	4.7
179.05545	10.8
183.13945	4.5
185.11798	10.2
191.05583	9.0
199.13327	4.6
207.10175	4.7
225.11327	6.1
226.11464	3.2
227.11580	3.8
243.12305	4.9
263.12885	3.0
281.17520	7.5
321.15482	3.7
327.17719	2.8
327.21625	5.3
415.14719	3.9
499.28741	6.8
562.09143	3.4
661.32233	6.0
679.30524	54.8
680.31335	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	679.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.8
59.01385	6.2
61.54814	0.8
61.98829	23.8
65.48617	0.7
66.32752	0.8
71.01377	11.8
71.53983	1.2
73.02925	2.7
85.02962	5.3
87.00843	0.8
89.02448	2.6
95.01381	1.4
96.19421	0.8
96.96013	2.1
99.00873	1.0
101.02454	5.3
110.36639	0.9
113.02439	5.0
119.03551	1.4
135.88103	0.8
161.04559	2.0
191.05547	2.0
232.00740	0.7
282.98471	0.8
294.51031	0.8
301.92902	0.7
303.23331	4.1
304.23730	1.0
317.79016	1.0
423.23746	1.7
440.16626	1.0
453.28412	1.3
461.83923	0.9
481.28052	100.0
482.28421	13.2
615.84198	0.9
628.10577	0.9
679.32642	4.8
704.11163	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	2.4
57.03432	3.2
59.01380	30.9
61.98830	23.9
71.01382	24.3
71.05037	4.2
71.52496	2.5
72.99285	1.7
73.02946	2.5
81.03526	1.6
83.01399	2.4
83.05025	7.4
85.02957	7.0
87.00880	2.5
89.02438	19.5
93.30007	1.9
95.01395	2.4
95.04983	1.8
96.96029	2.5
97.02937	7.5
97.06602	6.5
99.00877	34.1
101.02444	15.5
109.06609	4.6
110.03759	1.6
113.02429	7.1
116.92927	2.3
119.03478	5.7
125.09708	9.0
127.28835	1.5
135.04431	2.4
135.08170	4.2
137.06142	1.8
142.04955	1.4
145.03014	1.7
155.07117	3.0
161.04578	2.1
163.11314	12.6
173.04567	2.2
173.08160	8.1
179.03337	1.7
179.05630	2.0
181.08742	11.3
181.12325	32.2
182.12628	1.4
186.75595	1.5
191.05576	5.0
199.13390	26.4
207.08374	2.8
207.10263	47.1
208.10606	3.5
225.11304	77.6
226.11610	4.6
243.12361	58.6
244.12662	3.9
253.09323	3.4
295.48608	1.6
461.20410	3.2
479.21384	26.0
480.21591	2.4
499.30396	3.0
515.16638	1.9
517.31604	11.8
518.31909	2.3
635.29205	66.0
636.29639	12.5
638.54797	1.8
643.29260	5.3
661.30762	100.0
662.30792	18.2
679.35596	45.4
680.35779	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84927	0.2
52.01884	0.1
54.84511	0.1
59.01104	0.2
59.01378	3.0
61.62761	0.2
61.77433	0.2
65.97433	0.1
71.01373	1.7
71.23318	0.3
72.04543	0.2
81.03455	7.9
82.03813	0.2
83.05024	18.2
84.05354	0.3
85.02957	0.4
89.02448	2.1
100.07703	0.3
101.02427	1.3
107.06184	0.4
108.04520	0.4
109.06626	0.2
113.02451	0.9
119.03509	0.9
125.07211	1.3
126.05619	0.3
143.08252	0.5
157.13435	0.2
179.05592	0.2
207.14995	1.3
222.16132	0.2
224.17686	2.8
225.16084	12.2
226.16394	0.7
242.18640	0.8
250.15491	0.3
263.02570	0.2
286.90170	0.2
290.22238	0.2
291.20740	0.2
309.21814	0.7
324.26517	0.6
333.22934	0.9
337.04562	0.2
339.27615	0.2
341.29282	1.1
367.27066	0.9
407.33655	0.3
415.10388	0.2
433.31787	1.1
450.34485	1.6
451.32877	5.9
452.32910	0.7
468.35394	0.2
476.32166	0.2
550.43384	0.7
551.44043	0.2
559.39758	0.3
565.44250	0.4
593.43909	1.0
659.48376	1.1
660.49115	0.3
677.49652	100.0
678.49969	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.7
61.98839	0.1
71.01366	1.0
71.05010	0.5
71.52747	0.1
71.53133	0.2
79.95724	3.3
80.96516	0.4
85.02942	0.3
85.84338	0.1
89.02450	0.7
89.68142	0.1
95.95215	6.3
96.96007	5.2
96.96511	0.1
101.02441	0.5
113.02419	0.4
113.09692	0.4
116.51885	0.1
117.64503	0.1
118.94007	0.1
119.03481	0.4
136.33868	0.1
139.33583	0.1
141.95786	0.3
151.00681	0.4
161.04501	0.2
179.05548	0.2
225.08005	100.0
225.11099	2.6
226.08322	4.5
557.21619	0.1
677.33850	0.5
678.34418	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
57.03450	1.3
58.00600	1.8
58.27978	0.3
59.01380	36.9
60.01726	0.3
61.98830	0.9
64.55388	0.3
67.01917	0.3
68.99824	0.5
69.03450	2.0
71.01382	34.5
71.54108	0.4
72.01713	0.3
72.99319	2.8
73.02943	6.4
75.00877	0.9
78.95915	0.3
80.28255	0.2
80.96528	1.7
81.03468	1.7
83.01387	4.3
83.05031	1.0
84.02228	0.3
85.02946	6.7
86.00106	0.4
87.00878	8.7
89.02445	31.1
90.02789	0.6
91.04028	0.7
93.03471	0.4
95.01386	2.4
95.05030	0.4
97.02946	6.7
99.00894	2.1
99.04501	0.5
99.92570	0.5
101.02444	30.7
102.02789	0.4
103.00417	0.3
103.04015	0.4
105.69260	0.3
109.02956	0.7
111.00871	0.4
111.04529	1.2
112.01630	0.3
113.02451	13.6
115.04016	0.8
115.92134	0.7
116.92868	0.9
119.03507	9.1
121.02981	0.5
123.00916	0.3
124.01702	0.4
125.01523	0.6
125.02446	12.5
126.02784	0.6
127.04041	0.4
131.03474	1.7
133.05078	0.9
139.04016	1.1
141.01961	0.7
143.03510	6.0
149.04553	1.3
151.43219	0.3
152.99635	0.3
157.05061	0.3
161.04556	6.6
163.11314	0.5
165.12885	0.7
167.03523	0.9
169.05093	0.4
171.03017	0.5
179.05615	6.7
180.05908	0.4
185.04559	0.5
199.06128	0.4
203.05505	0.4
209.11815	15.8
210.12157	1.1
217.07187	1.3
219.05199	0.5
221.06636	2.6
225.00752	0.4
235.08220	14.1
236.08470	0.6
245.06644	1.0
249.18571	8.9
250.18895	0.6
253.09288	4.5
261.22342	0.4
263.07794	1.6
277.09338	0.8
279.23276	100.0
280.23630	10.1
286.61154	0.3
287.07693	3.0
293.24887	0.6
305.08798	3.9
323.09769	1.8
361.11264	0.5
379.12540	1.2
397.13489	76.8
398.13800	6.3
412.19885	0.3
415.14557	32.7
416.14877	2.7
464.43665	0.3
577.27002	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	677.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73931	0.3
55.01865	1.4
57.03462	0.7
58.00601	1.8
58.64255	0.4
59.01380	39.0
61.98827	1.8
67.01874	0.3
68.99789	0.4
69.03459	1.8
71.01382	35.3
72.01717	0.5
72.99300	2.7
73.02943	6.1
75.00864	1.0
78.95903	0.9
81.03477	1.8
83.00926	0.5
83.01389	4.5
85.02949	7.9
86.00085	0.4
87.00876	8.5
87.04493	0.4
89.02443	30.2
90.02762	0.4
91.04021	0.5
93.03463	0.5
95.01387	2.2
96.45122	0.3
96.96976	0.4
97.02946	6.9
97.25998	0.4
99.00869	2.0
99.04549	0.5
101.02442	28.6
102.02806	0.5
103.00340	0.4
103.04018	0.7
109.02994	0.5
111.00860	1.0
111.04503	1.1
113.02451	13.1
114.02650	0.4
115.04016	0.5
119.03493	9.7
119.04906	0.4
121.02979	0.8
124.01687	0.5
125.02446	12.6
131.03502	1.7
133.05057	1.1
139.03972	1.5
141.01978	0.7
143.03499	6.7
147.04626	0.4
149.04538	1.1
152.99582	1.6
161.04552	7.6
163.03999	0.5
167.03479	0.8
169.05057	0.8
171.03033	0.5
176.15639	0.4
179.05611	7.0
185.04562	0.6
188.94855	0.3
197.04617	0.4
199.06143	0.5
202.73378	0.4
202.80896	0.4
203.05580	0.6
204.02098	0.4
209.11830	1.0
217.07170	0.9
219.05054	0.7
221.06647	2.5
229.21657	0.5
235.08217	13.2
236.08464	0.8
241.01474	0.4
245.06560	0.7
249.18712	0.7
253.09221	3.9
261.22098	0.5
263.07693	1.4
277.09277	0.6
279.23282	100.0
280.23633	9.7
287.07733	3.6
305.08826	3.1
313.16833	0.3
315.04935	0.4
323.09903	1.0
361.11545	0.5
379.12686	0.8
397.13492	72.7
398.13870	5.5
415.14563	27.3
416.14862	3.1
525.46777	0.4
534.20599	0.4
577.27264	0.5
595.28693	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	677.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54051	0.7
55.01870	2.1
57.03445	2.4
58.00592	5.6
59.01381	100.0
60.01724	1.8
61.98809	1.8
69.78357	4.8
71.01384	85.5
72.01714	1.1
72.99314	6.7
73.02944	4.9
81.03452	1.8
81.53583	0.9
83.01379	4.4
83.05028	4.5
85.02952	19.1
87.00868	4.4
89.02446	80.9
90.02791	1.2
95.01402	5.0
96.96008	3.7
97.02937	1.4
97.06583	2.9
98.20608	1.0
99.00879	10.1
101.02442	55.0
102.02792	1.4
106.98581	1.0
109.06595	2.6
111.00906	2.0
113.02449	32.8
119.03503	37.1
120.03765	0.9
125.02479	1.3
129.01988	2.1
130.08786	1.0
131.03500	4.0
141.01871	1.5
143.03535	6.8
149.04549	3.5
153.09225	3.4
159.02977	1.9
161.04552	8.1
163.11345	1.7
171.10205	1.3
179.05618	10.7
181.12341	3.2
191.05655	2.2
197.08194	1.9
215.09384	1.6
225.11327	5.8
225.15997	2.4
243.12296	2.3
317.21341	1.0
376.39075	1.0
451.32870	1.1
490.87500	0.9
497.27655	2.5
515.28528	4.0
605.28076	2.0
643.33197	3.0
659.29712	6.7
660.29230	1.8
677.32318	16.1
677.49701	19.4
678.32623	3.8
678.49921	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	677.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.7
57.03434	0.8
58.00589	0.5
59.01380	8.8
61.98811	0.9
69.03460	0.8
69.56569	1.9
71.01383	6.2
71.05016	1.9
71.16161	0.3
72.68869	0.3
72.99302	0.5
73.02946	1.1
81.03423	0.5
83.05027	0.8
85.02955	1.6
86.68932	0.3
87.00875	1.2
89.02451	4.0
93.88264	0.3
95.05022	3.0
95.54594	0.3
97.02946	3.3
97.06596	6.6
99.00880	35.8
100.01176	0.6
101.02444	4.9
103.22343	0.3
109.06580	1.1
110.03726	1.3
113.02480	2.1
117.07078	1.5
119.03481	1.1
122.66423	0.4
123.04510	1.3
123.08146	0.7
125.09730	4.3
127.11270	0.9
133.06563	0.8
135.08141	3.6
142.02728	0.8
145.05025	0.5
153.09209	10.9
153.12729	0.4
155.14426	0.5
161.04544	1.0
163.11292	5.0
169.08682	1.2
171.10248	2.8
173.40587	0.4
179.05676	0.7
179.07140	1.6
181.12340	11.4
182.12743	0.8
182.90741	0.4
197.08165	7.9
198.08438	0.5
199.13368	6.9
201.11417	0.4
207.10254	20.8
208.10672	1.7
209.11842	0.4
215.09225	8.7
216.09544	0.5
225.11308	31.7
226.11658	2.1
235.08119	0.3
243.12358	21.1
244.12727	1.2
253.09259	0.8
257.62433	0.3
317.16071	0.7
433.17233	1.6
451.18170	3.6
461.20306	1.5
479.21286	10.3
480.21448	0.7
515.24799	1.2
605.27563	0.5
633.31036	0.4
659.29199	3.6
677.30219	100.0
678.30493	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	677.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.0
57.03443	1.1
58.00590	0.5
59.01381	9.4
61.98831	1.5
63.85684	0.3
69.03452	0.6
71.01385	9.0
71.01780	0.6
71.05019	2.7
72.99311	0.6
73.02947	1.3
81.03474	0.3
83.01393	0.7
83.05023	1.3
85.02953	2.7
87.00872	1.0
89.02443	5.8
95.01390	0.7
95.05022	3.8
96.95969	0.3
97.02955	4.0
97.06587	8.2
99.00880	39.3
99.08155	0.4
100.01219	0.6
101.02442	5.1
107.04980	0.3
109.06595	1.0
110.03757	0.9
113.02454	3.2
117.07098	1.5
119.03516	2.3
123.04515	1.9
123.08172	1.5
125.02401	0.4
125.09718	5.0
126.10059	0.3
127.11283	0.7
130.08762	0.4
131.03392	0.3
131.98761	0.2
133.06580	0.6
135.08171	4.6
136.05342	0.4
142.02701	1.2
143.03493	0.6
145.05046	0.5
151.07588	0.4
153.09213	10.9
153.12852	0.5
154.09587	0.4
155.14413	0.4
161.04565	1.4
161.09770	0.4
161.16772	0.3
163.11282	5.6
164.11589	0.3
169.08737	0.9
171.10271	3.2
179.05585	0.6
179.07152	2.0
181.12346	12.8
182.12633	0.8
197.08177	7.6
197.11937	0.9
198.08521	0.6
199.13393	9.2
200.13791	0.3
201.11392	1.3
207.10260	22.1
208.10620	0.9
209.11801	1.3
215.09218	8.3
216.09648	0.4
225.11319	35.7
226.11703	1.8
235.08138	0.6
243.12366	23.2
244.12598	1.2
253.09209	1.3
289.13010	0.5
317.16162	0.8
433.17126	0.9
451.18137	3.8
452.18344	0.4
461.20383	1.5
479.21289	10.2
480.21582	0.9
515.24268	1.7
526.38763	0.3
605.27850	0.7
617.32172	0.6
633.28534	0.8
659.29132	4.2
660.29230	0.7
677.30206	100.0
678.30548	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	677.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89454	1.6
59.01377	17.9
61.98819	5.8
66.85814	1.5
78.95902	4.8
140.56334	1.4
152.14897	1.6
152.99559	3.1
167.74448	1.3
209.11884	11.2
241.05824	1.4
249.18523	8.7
279.23196	2.0
344.33362	1.5
393.46545	1.5
481.15097	14.5
482.15662	3.8
495.16992	3.8
540.16559	4.6
555.18903	27.7
556.19214	7.2
572.15387	5.5
573.15515	1.9
627.20734	2.4
639.01074	1.5
641.22540	30.3
642.22760	6.4
677.20190	100.0
678.20221	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	18.8
61.98830	3.7
63.22011	2.3
67.01881	3.2
69.03482	3.0
71.01376	18.9
85.02959	8.1
87.00871	3.4
89.02444	14.4
93.03461	27.2
96.96015	4.5
101.02439	7.5
109.02985	2.9
111.04510	6.4
113.02438	5.0
119.03484	6.4
127.03988	2.6
129.92270	2.2
134.03818	2.8
135.04527	65.6
136.04796	2.9
137.02470	6.3
155.03481	4.9
161.02382	3.1
173.04550	100.0
173.06053	5.0
174.04855	3.1
179.03491	59.7
180.03871	2.6
191.05618	52.4
232.05321	3.1
279.15463	2.5
323.13489	62.0
324.13705	4.8
353.08765	81.2
354.09085	6.0
544.42987	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	676.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49048	0.1
57.62002	0.1
60.17787	0.1
61.98831	100.0
69.79996	0.9
83.43141	0.1
95.12217	0.1
98.98753	0.1
103.84408	0.1
226.26244	0.1
362.27341	0.1
451.74744	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	676.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23942	0.1
59.01376	0.5
61.98830	100.0
62.98547	0.2
73.45620	0.1
75.18209	0.2
98.19905	0.2
130.54175	0.1
163.37477	0.1
257.90274	0.1
299.00519	0.1
338.42902	0.2
420.11841	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07742	0.4
59.01380	100.0
60.01714	0.9
61.98847	1.4
62.23232	0.4
78.95913	1.9
90.97111	0.5
98.20705	0.9
152.99606	0.8
171.50209	0.5
226.43121	0.5
229.27336	0.6
229.67613	0.5
277.21814	0.6
381.15683	0.6
475.48840	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16255	0.4
55.01856	1.4
57.03433	1.4
58.00607	2.3
59.01380	54.5
60.01708	0.6
61.98796	0.7
68.39437	0.4
68.99805	0.5
69.03453	2.2
71.01381	37.7
71.21068	0.8
72.99313	2.4
73.02945	6.5
75.00875	1.0
80.03951	0.4
81.03447	2.0
83.01383	4.8
85.02947	7.8
86.00129	0.5
87.00879	9.2
89.02446	37.3
90.58623	0.4
91.04023	0.6
93.03471	0.6
95.01383	3.3
97.02947	7.6
99.00882	2.5
99.04509	0.8
101.02441	34.0
109.02951	0.5
111.00823	0.7
111.04507	1.5
113.02447	16.4
115.03995	1.0
119.03499	11.2
121.02941	0.7
123.00877	0.7
125.02452	13.4
127.04008	0.7
128.24402	0.6
131.03488	2.0
133.05075	1.1
137.02419	0.5
139.03981	1.7
141.02008	0.5
143.03502	5.3
149.04526	1.5
161.04559	8.3
167.03473	1.1
179.05611	7.2
199.06075	0.8
217.07056	0.7
219.05028	0.8
221.06641	2.4
235.08218	15.1
236.08771	0.5
245.06589	0.9
253.09280	3.7
263.07715	1.7
277.09470	1.4
277.21710	100.0
278.22095	8.3
287.07614	3.4
305.08740	4.3
323.09833	2.0
361.11325	0.6
379.12619	1.0
397.13495	78.0
398.13895	6.0
415.14560	32.8
416.14957	3.2
455.31744	0.5
524.68341	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18385	10.4
59.01377	68.4
61.98840	40.9
70.08175	18.8
70.08567	18.3
78.95901	100.0
81.35822	7.8
84.08088	7.4
91.36427	9.0
103.72159	7.6
105.90221	7.5
152.99585	44.3
171.10236	35.1
211.13408	14.6
277.21738	26.0
321.18860	9.5
324.05225	8.8
328.00241	7.8
342.26590	9.5
401.18594	8.9
555.27875	12.3
649.51178	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	675.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.4
57.03457	1.5
58.00594	2.0
59.01380	53.1
60.01717	0.5
64.60221	0.2
65.63821	0.2
67.01877	0.3
67.93195	0.3
68.99817	0.7
69.03455	2.2
71.01381	43.1
72.01721	0.4
72.99307	2.8
73.02946	7.3
75.00872	0.9
78.18847	0.3
81.03461	1.9
83.01390	5.3
83.05042	0.7
85.02445	0.6
85.02951	9.3
86.00110	0.4
87.00874	9.7
89.02444	39.0
90.02823	0.7
91.04005	0.9
93.03456	0.4
95.01379	2.8
95.05034	0.3
95.10863	0.3
97.02948	7.8
98.19840	0.6
99.00875	2.3
99.04536	0.7
101.02441	33.5
102.02843	0.5
103.00360	0.4
103.04041	0.6
109.02966	0.9
111.00879	0.8
111.04498	1.3
112.59434	0.3
113.02451	17.1
114.02776	0.3
115.03970	0.7
119.03500	11.7
121.02965	0.6
123.00916	0.4
123.04537	0.5
125.02445	13.9
127.04002	0.6
129.01942	0.4
131.03502	2.0
133.05048	1.5
137.02496	0.4
139.03987	0.9
141.01955	0.9
143.02420	0.5
143.03500	7.7
149.02414	0.4
149.04495	1.4
149.30144	0.3
161.04561	8.0
167.03499	1.1
169.05052	0.5
171.02925	0.4
179.05623	7.9
179.07208	0.4
185.04552	0.8
199.06068	0.8
203.05556	0.7
217.07169	1.1
219.05199	0.4
221.06598	2.7
233.22659	0.8
235.08220	17.2
236.08562	0.6
245.06653	1.0
253.09286	4.2
259.20776	0.5
263.07700	1.8
275.20377	0.4
277.09470	1.4
277.21707	100.0
278.22076	8.8
287.07681	3.8
291.23245	0.4
305.08835	3.8
323.09821	2.3
361.11578	0.4
379.12433	1.2
393.97025	0.3
397.13483	81.6
398.13821	7.4
415.14548	37.5
416.14841	3.3
421.82379	0.3
525.50702	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.2
56.71103	0.7
57.03441	0.8
59.01379	5.4
61.98818	4.3
71.01369	4.8
71.05022	2.5
73.02940	1.5
85.02930	1.3
87.00887	0.9
88.98801	1.1
89.02426	3.6
93.03422	0.8
97.02919	3.4
97.06580	2.9
98.20661	2.2
99.00874	14.0
101.02451	4.1
109.06611	1.1
113.02415	2.4
119.03474	0.9
121.02962	5.1
123.08172	1.7
124.47256	0.9
125.09715	5.7
142.02664	1.5
151.11275	6.7
161.04506	1.0
163.11290	6.5
169.12332	36.0
170.12653	1.7
181.12334	14.3
185.11848	1.8
191.03459	4.4
191.05431	1.5
192.03775	0.8
197.11726	1.5
199.13374	8.6
207.10248	18.7
208.10577	1.3
213.11256	5.0
225.11313	31.7
226.11653	1.6
243.12340	15.6
244.12737	0.9
253.09282	1.9
274.28717	0.8
304.60852	0.8
420.78265	0.8
431.19370	1.0
449.20422	4.3
461.20279	1.2
479.21414	7.3
513.27020	1.1
631.32782	3.7
657.31250	2.2
675.32257	100.0
676.32819	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	675.323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54372	0.6
57.03446	1.4
59.01388	5.7
59.31989	0.7
61.98839	3.9
69.03477	1.0
71.01389	5.8
71.05025	2.5
71.54187	0.7
73.02953	1.5
73.22120	0.6
85.02947	1.7
87.00880	1.2
89.02438	3.4
95.05022	1.0
97.02953	2.1
97.06594	2.6
99.00881	13.5
100.26523	0.7
101.02446	4.6
110.03737	0.6
113.02441	3.1
119.03495	0.9
121.02939	2.8
125.09726	4.2
142.02748	0.8
143.03558	0.8
151.11305	7.3
161.04585	1.5
163.11293	6.2
169.12340	44.2
170.12674	1.3
171.10170	0.8
181.12349	11.7
185.11795	1.8
190.94176	0.6
191.03482	1.9
191.05574	0.9
197.11826	1.3
199.13417	6.4
200.13806	0.7
207.10231	16.1
208.10507	1.0
209.11871	1.0
213.11279	5.8
225.11322	25.0
226.11588	1.3
243.12349	13.5
244.12498	0.9
253.09250	1.4
449.20340	4.4
450.20755	0.8
461.20001	1.6
479.21262	6.0
513.27350	1.5
629.35315	0.7
631.33258	3.0
657.31372	3.2
675.32306	100.0
676.32648	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	675.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60408	0.3
54.51312	0.3
59.01379	0.7
65.64835	0.3
66.32267	0.4
67.01895	0.5
69.50513	2.5
69.51070	0.4
71.01374	0.5
85.02950	5.3
87.00860	1.4
93.03463	2.9
111.04462	0.5
119.05052	0.7
127.03998	1.7
145.02959	0.7
146.71251	0.3
152.22237	0.4
163.04004	1.3
171.02985	0.4
173.04529	1.9
183.70251	0.4
185.63646	0.4
191.05608	100.0
192.05919	4.0
337.09280	22.9
338.09732	1.4
357.52295	0.4
399.50934	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.7
57.03438	1.1
59.01379	4.7
69.03458	2.8
69.87821	3.3
71.01384	4.0
71.04998	2.1
73.02919	1.1
85.02956	1.4
89.02447	1.3
94.15417	0.5
95.05037	3.7
97.02929	0.9
97.06587	8.4
99.00880	26.6
101.02462	2.9
110.03772	0.7
110.31036	0.5
113.02429	1.5
117.07098	1.0
123.04494	1.3
123.08142	1.9
125.09711	2.2
135.08165	3.0
151.11258	1.3
153.09207	11.3
153.12849	0.8
161.09700	1.4
169.08664	1.0
171.10277	3.1
179.07109	1.9
179.10768	3.1
181.12317	0.7
189.15536	0.6
197.08145	6.7
197.11823	41.0
198.12105	1.9
207.10190	2.2
215.09193	6.7
225.11377	3.0
241.08568	0.7
241.10788	5.1
243.12379	1.5
253.09261	1.3
338.17154	0.9
451.18115	2.0
477.19843	3.1
513.23163	1.1
631.29419	2.8
657.27655	1.2
675.28625	100.0
676.29041	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	674.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72754	0.2
61.98830	100.0
70.82490	0.4
74.14384	0.2
98.20424	0.3
101.29835	0.2
117.31610	0.2
121.02939	0.9
136.15804	0.2
137.08464	0.2
185.15901	0.2
202.68936	0.2
209.04578	0.2
216.18933	0.2
217.57420	0.1
343.74042	0.2
486.98993	0.2
593.12634	0.3
596.73187	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.0
57.03436	3.4
58.00581	1.7
59.01380	100.0
60.01704	1.4
61.98532	1.4
61.98829	12.5
69.03446	1.8
70.90579	0.8
71.01381	55.4
71.53699	1.2
72.01714	2.2
72.99306	2.7
73.02945	13.6
75.00884	1.2
79.24088	0.7
81.17110	0.7
83.01385	8.3
84.47759	0.7
85.02949	27.5
86.00116	1.1
87.00872	4.4
88.42942	0.8
89.02449	11.2
93.03419	1.0
95.01381	5.6
96.96003	0.8
97.02952	3.8
99.00878	7.1
101.02442	34.2
101.03106	2.0
103.04023	1.5
111.00880	3.1
111.13876	0.9
112.01675	1.0
112.88824	0.7
113.02447	24.0
114.02778	1.3
115.03963	1.1
119.03493	3.6
124.01682	1.3
125.02454	7.5
129.01926	2.4
135.04477	0.9
141.01881	1.2
143.03496	5.6
159.02962	2.9
161.04556	9.1
162.04903	1.3
191.05591	1.4
196.59605	0.8
209.11798	2.5
221.34976	0.9
227.12935	1.3
305.70090	0.8
337.35861	0.9
451.30707	4.4
467.30035	2.0
468.30276	1.0
469.31680	13.3
470.31866	1.9
485.31519	1.1
499.19116	1.0
511.32687	1.0
539.32605	1.8
549.34247	1.0
552.85748	1.0
613.35883	87.4
614.36255	13.0
631.36896	79.7
632.37128	14.3
673.38165	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	673.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.0
57.03436	3.4
58.00581	1.7
59.01380	100.0
60.01704	1.4
61.98532	1.4
61.98829	12.5
69.03446	1.8
70.90579	0.8
71.01381	55.4
71.53699	1.2
72.01714	2.2
72.99306	2.7
73.02945	13.6
75.00884	1.2
79.24088	0.7
81.17110	0.7
83.01385	8.3
84.47759	0.7
85.02949	27.5
86.00116	1.1
87.00872	4.4
88.42942	0.8
89.02449	11.2
93.03419	1.0
95.01381	5.6
96.96003	0.8
97.02952	3.8
99.00878	7.1
101.02442	34.2
101.03106	2.0
103.04023	1.5
111.00880	3.1
111.13876	0.9
112.01675	1.0
112.88824	0.7
113.02447	24.0
114.02778	1.3
115.03963	1.1
119.03493	3.6
124.01682	1.3
125.02454	7.5
129.01926	2.4
135.04477	0.9
141.01881	1.2
143.03496	5.6
159.02962	2.9
161.04556	9.1
162.04903	1.3
191.05591	1.4
196.59605	0.8
209.11798	2.5
221.34976	0.9
227.12935	1.3
305.70090	0.8
337.35861	0.9
451.30707	4.4
467.30035	2.0
468.30276	1.0
469.31680	13.3
470.31866	1.9
485.31519	1.1
499.19116	1.0
511.32687	1.0
539.32605	1.8
549.34247	1.0
552.85748	1.0
613.35883	87.4
614.36255	13.0
631.36896	79.7
632.37128	14.3
673.38165	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	673.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17159	3.7
55.25419	3.4
59.01377	50.9
61.98832	100.0
63.73947	3.4
71.01384	26.4
73.02941	9.8
85.02952	10.8
89.02448	8.1
101.02438	16.2
101.41655	3.0
108.44992	3.4
113.02447	9.6
209.11772	10.7
211.13321	5.7
445.62610	3.6
509.25674	3.5
545.61469	3.7
569.59424	3.9
613.35577	58.2
614.36133	11.5
631.36359	16.5
673.24939	8.8
673.36169	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	673.271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44720	0.6
51.79829	0.6
54.96946	0.6
55.82878	0.6
57.03438	3.1
59.01384	5.6
68.25105	0.7
69.03442	3.3
71.01383	6.3
71.05016	4.2
71.14201	1.4
83.01363	0.9
83.05006	0.8
85.02939	1.0
87.00877	1.1
89.02438	1.5
95.05015	2.9
97.02952	0.9
97.06582	6.5
101.02461	2.5
113.02447	1.0
119.03462	0.8
121.06414	0.8
123.08167	7.4
125.09712	3.2
133.06595	2.4
134.00464	0.8
151.07654	6.1
151.11302	1.6
153.12863	0.9
161.04507	0.7
161.09666	1.5
169.08681	20.0
170.09006	1.1
179.10815	3.4
195.06587	1.0
197.11826	63.1
198.12146	2.9
209.11781	1.2
213.07611	1.4
241.10739	4.6
253.09259	2.5
285.25122	0.7
379.88663	0.7
381.05386	0.7
449.16537	1.1
477.19824	2.6
511.21765	1.9
547.17230	0.7
629.27985	4.6
655.25433	0.9
673.27087	100.0
674.27478	13.6
703.28418	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12629	0.8
57.83939	0.8
59.01357	0.9
61.98830	8.3
73.02930	2.3
75.00881	2.0
78.95900	2.3
93.03436	1.6
98.20677	2.2
104.55981	0.8
152.99544	1.1
167.12019	0.9
170.59201	0.8
173.04539	1.3
201.11298	2.6
202.11557	1.3
211.10274	0.8
229.97435	1.5
251.20108	1.5
251.82733	1.0
262.93530	0.8
269.69849	0.9
287.49716	1.1
403.60605	0.9
452.11121	1.9
455.17291	2.5
467.13361	2.5
468.10910	1.0
473.18222	1.6
476.68179	0.9
479.17218	2.0
481.18939	1.2
483.13800	1.8
483.20508	4.7
493.18704	1.5
495.13348	1.8
508.16891	1.2
510.15244	9.1
511.15817	2.1
521.18079	1.7
523.16364	3.6
525.18018	3.2
526.14758	14.3
527.15332	3.7
537.17950	1.4
538.18726	2.5
539.18250	1.0
542.16302	1.2
550.15112	2.7
553.21167	1.7
565.16846	2.1
569.16754	11.1
570.17047	1.6
582.17212	1.3
597.21002	1.1
641.18909	7.4
642.19159	1.8
673.21503	100.0
674.21722	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
57.03456	0.2
59.01381	5.9
60.01719	0.3
61.98830	100.0
62.98535	0.2
69.03431	0.1
69.88041	0.3
71.01392	2.8
72.01723	0.3
72.99323	0.2
73.02946	0.8
83.01396	0.3
85.02953	1.6
87.00866	0.4
89.02430	0.8
91.50336	0.1
95.01408	0.2
96.35987	0.1
97.02976	0.3
99.00912	0.4
101.02444	1.9
102.02814	0.2
113.02451	1.4
114.02785	0.2
119.03551	0.3
124.01683	0.2
125.02473	0.3
143.03534	0.4
150.00572	0.1
159.02992	0.2
161.04579	0.5
209.11890	0.1
212.61086	0.1
243.91559	0.1
265.16302	0.2
440.83173	0.2
451.30576	0.2
459.00626	0.1
468.30255	0.2
469.31558	0.5
611.34662	0.2
612.34546	2.5
613.35785	3.3
613.45239	0.2
629.35455	0.3
630.35822	2.5
630.45801	0.2
631.36932	2.9
673.37738	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09333	0.6
55.01869	2.7
55.86172	0.5
57.03450	2.9
58.00592	2.3
59.01379	100.0
60.01722	1.3
69.03452	1.0
71.01381	45.7
72.01725	1.0
72.99319	2.3
73.02945	12.1
75.00893	0.6
76.70725	0.5
78.76559	0.5
83.01381	5.8
83.01737	0.5
85.02948	22.5
85.03474	1.1
86.00121	0.7
87.00876	2.5
89.01875	0.7
89.02444	20.3
95.01393	4.6
97.02970	2.3
98.19883	1.4
99.00867	4.5
101.02441	26.4
111.00895	2.2
112.01705	1.5
113.02450	28.1
114.02768	0.7
115.03990	0.8
119.03500	9.5
122.59875	0.6
124.01690	2.2
125.02448	4.2
129.01970	2.4
131.03525	0.7
142.02803	0.5
143.03503	4.5
149.04596	0.7
159.03046	1.8
161.04561	7.4
179.05641	1.1
222.79367	0.5
281.19562	0.5
449.29071	2.5
467.30112	7.7
486.97952	0.8
509.31482	0.6
537.30585	1.0
547.33313	0.8
575.32526	0.9
581.33728	0.7
611.34296	48.0
612.34589	7.8
629.35394	47.5
630.35767	9.1
671.36774	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	672.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
69.46952	8.0
78.12903	1.3
81.79805	1.4
82.81647	1.2
107.01384	2.0
112.07280	1.2
151.00354	4.8
167.76923	1.1
169.99571	1.3
227.01311	2.1
227.03479	27.4
228.03931	2.7
229.04936	3.1
241.04929	1.6
255.02954	52.3
256.03516	5.7
257.04440	2.7
284.03262	73.9
285.03952	31.2
286.04318	3.0
609.14612	97.1
610.14862	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	671.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.8
57.03457	3.1
58.00590	1.9
59.01381	100.0
60.01702	0.6
63.77767	0.5
69.03460	1.2
71.01384	52.2
72.99308	2.5
73.02947	12.5
75.00864	0.7
83.01398	6.7
84.02212	0.7
85.02950	22.3
86.00126	0.8
86.03308	0.7
87.00883	3.4
89.02447	17.0
95.01397	6.2
97.02966	1.9
99.00880	4.1
101.02448	27.8
103.94221	0.5
111.00906	2.1
112.01686	1.2
113.02456	25.7
113.48323	0.5
119.03494	6.2
124.01670	2.2
125.02457	3.6
129.01958	2.1
131.03610	0.7
142.02702	0.7
143.03525	4.7
159.03017	1.8
160.86784	0.5
161.04536	5.4
179.05653	1.9
181.11971	0.5
185.77925	0.6
242.51534	0.5
260.84860	0.5
292.04956	0.5
436.42935	0.6
449.28833	2.6
467.30112	7.9
468.30774	0.9
485.30920	0.6
537.31268	0.6
575.33356	0.7
611.34344	55.4
612.34607	6.9
629.35413	52.0
630.35883	6.4
671.36737	2.1
672.36902	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.1
57.03448	2.9
58.00600	2.3
58.57276	0.5
59.01381	100.0
61.98808	1.3
69.03458	0.9
71.01383	44.2
72.01737	0.8
72.99315	2.9
73.02948	10.5
75.00885	0.7
75.74062	0.6
76.88768	0.5
83.01387	5.9
85.02949	22.5
86.00085	0.5
87.00868	4.0
89.02447	19.6
95.01379	5.3
95.01833	0.5
97.02951	2.4
98.19856	1.0
99.00885	5.3
101.02443	28.9
111.00883	2.2
112.01677	0.8
113.02452	25.9
114.02818	0.6
115.03959	0.7
119.03504	8.2
124.01615	2.5
125.02465	3.5
129.01945	2.1
131.03510	1.1
139.00323	0.5
142.02762	0.6
143.03503	4.9
159.02905	2.3
161.04552	8.4
179.05595	2.2
203.17776	0.6
209.11768	0.8
220.18192	0.5
229.45285	0.7
318.67593	0.6
346.70789	0.5
449.29233	2.7
467.30096	8.1
468.30154	0.9
509.31119	0.6
575.32166	0.9
581.33112	0.8
611.34326	63.8
612.34601	11.2
629.35400	66.5
630.35852	11.9
671.36090	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	671.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97052	0.5
55.01884	2.7
57.03452	3.3
58.00590	2.0
58.53287	0.5
59.01379	100.0
60.01729	1.2
61.98833	1.8
62.06065	0.6
66.87524	0.6
69.03467	1.5
71.01382	49.9
72.99317	3.4
73.02945	12.0
74.93752	0.5
75.00880	0.9
83.01389	6.8
85.02950	23.5
85.52559	0.5
86.00122	0.9
87.00871	3.4
89.02444	21.5
95.01398	5.0
97.02979	1.7
99.00881	4.5
101.02441	28.9
103.03987	0.6
103.27325	0.6
111.00899	2.1
112.01682	1.3
113.02451	27.0
115.04042	1.1
116.92896	1.3
119.03496	7.2
124.01675	2.9
125.02428	3.2
128.70573	0.5
129.01949	2.7
130.93010	0.5
131.03539	1.3
141.01952	0.8
141.14317	0.5
142.02727	0.8
143.03502	6.1
149.04607	0.6
151.12587	0.6
159.03032	2.0
160.51915	0.6
161.04552	6.6
163.06102	2.8
171.10251	0.7
179.05637	2.2
197.11847	0.9
205.07275	0.8
327.59128	0.6
449.29117	3.3
450.29623	0.9
465.28143	0.6
467.30164	8.0
473.18570	0.6
489.23883	0.7
494.90152	0.6
502.17661	0.7
512.73212	0.6
530.09137	0.7
575.32349	1.4
611.34332	59.1
612.34711	10.0
629.35400	57.9
630.35754	10.0
671.35651	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	671.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.0
57.03446	3.1
58.00594	2.0
59.01379	100.0
60.01710	0.9
67.01888	0.4
68.99812	0.4
69.03459	1.2
71.01381	50.9
72.01723	0.4
72.99303	2.6
73.02946	11.5
75.00874	0.6
81.03471	0.5
83.01388	6.4
84.02175	0.5
85.02950	23.4
86.00101	0.6
86.03304	0.4
87.00877	3.2
89.02442	21.4
89.33712	0.1
90.02766	0.2
95.01383	5.5
97.02943	2.3
99.00877	4.8
99.04482	0.3
101.02441	27.4
102.02773	0.4
109.02989	0.2
111.00880	2.3
112.01674	1.0
113.02448	28.1
114.02770	0.5
115.04025	0.8
119.03503	8.0
123.00784	0.1
124.01662	2.6
125.02456	4.1
129.01945	1.9
130.05984	0.2
131.03496	0.9
134.45721	0.2
137.04602	0.1
139.00359	0.2
141.01927	0.4
142.02696	0.4
143.03493	5.5
144.03784	0.2
149.04581	0.7
155.03444	0.2
159.03006	1.8
161.04547	8.8
162.04865	0.2
177.04042	0.2
179.05635	2.1
213.69664	0.2
322.02957	0.2
449.29013	3.5
450.29163	0.4
467.30093	9.4
468.30585	1.0
491.30084	0.3
507.29413	0.3
509.31189	0.6
537.30389	0.8
538.31720	0.2
547.32605	0.6
557.31134	0.2
563.31915	0.3
575.32428	1.3
581.33258	0.6
611.34308	65.6
612.34650	10.3
629.35376	67.0
630.35730	10.8
671.36517	2.9
672.36505	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62938	3.2
55.01880	4.6
59.01379	100.0
59.67947	3.2
61.98833	38.3
62.18633	3.4
62.22483	3.2
66.71266	3.3
71.01379	53.8
71.54256	4.4
73.02941	10.1
83.01394	6.9
85.02944	19.8
87.00910	4.2
88.98827	4.9
89.02448	15.6
95.01404	6.8
96.71967	3.4
96.96014	10.5
99.00885	6.7
101.02454	24.3
113.02451	26.9
119.03514	9.7
143.03508	5.6
161.04529	11.1
167.10701	4.2
171.10291	4.4
179.05557	4.8
179.10748	4.1
191.05621	11.3
197.11827	11.9
209.11835	7.1
225.11304	8.6
338.07593	3.3
388.10327	3.5
467.30045	5.0
611.34503	46.3
612.34418	12.6
629.35474	57.8
630.35986	7.3
671.30463	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	670.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58650	1.4
52.84912	1.4
59.01398	1.5
61.98807	4.9
63.89674	1.8
69.40028	10.8
69.40345	1.3
82.72583	1.4
91.05552	1.5
91.40886	1.5
96.96007	4.9
97.39495	1.7
97.78748	1.4
98.02485	8.6
98.14699	1.5
99.13744	1.5
102.46567	1.8
108.02177	4.7
109.02949	31.0
110.02516	3.5
114.58243	1.5
119.05032	2.4
121.02926	4.2
123.04508	3.0
134.03719	4.8
135.04509	2.9
136.01662	48.8
137.01959	1.8
138.02792	1.9
145.02957	3.7
146.03763	7.3
147.04510	5.0
148.05243	1.8
149.04849	2.2
149.06064	1.5
151.00381	1.8
151.04004	70.1
151.83278	1.6
158.03775	2.5
159.04414	2.7
160.05305	3.3
161.06015	4.2
162.05606	1.8
163.04077	2.0
164.07144	5.8
174.03233	3.8
175.04004	11.9
176.04756	11.4
184.18132	1.6
189.05624	8.2
191.05640	3.3
191.07144	9.5
201.04221	1.8
202.05014	1.6
218.08217	6.1
227.03441	2.2
230.08188	6.4
237.86169	1.9
239.07159	2.3
242.05830	3.6
243.06619	2.1
244.07442	1.5
251.07074	3.9
257.08145	10.3
261.05594	3.0
262.06265	1.7
263.06812	2.2
267.06628	33.4
268.07043	2.9
270.11322	2.7
279.06564	11.2
282.09000	21.8
283.09589	1.8
294.08908	9.2
297.07922	2.9
297.11276	41.6
298.11673	4.8
312.10025	19.6
313.10590	3.2
321.14703	1.7
326.14014	10.2
327.12332	91.0
328.12723	6.6
345.13452	4.6
356.15085	3.3
428.61810	1.6
460.18170	7.8
463.46927	1.7
472.17688	3.3
475.16110	3.1
478.18637	26.0
479.19058	4.0
490.18698	100.0
491.19220	12.1
508.19760	51.6
509.20081	7.9
598.44940	1.6
670.12921	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	669.407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68394	0.6
55.01867	1.5
57.03448	1.7
58.00584	2.4
59.01380	41.9
61.98830	10.5
62.10902	0.6
71.01383	42.3
71.52039	1.2
72.99302	3.0
73.02943	6.1
83.01385	5.0
84.07196	0.6
85.02946	13.0
87.00870	1.7
89.02444	21.9
95.01389	2.9
96.95974	0.8
97.02943	1.3
99.00874	1.7
101.02447	24.1
111.00902	1.1
113.02453	14.3
119.03516	9.2
121.11123	0.7
125.02411	1.4
131.03540	0.8
140.90497	0.7
143.03519	1.7
161.04651	3.5
179.05591	2.7
209.07933	1.1
241.86154	0.8
336.95880	0.8
345.30069	3.2
507.35440	14.1
508.35739	2.0
562.56641	0.8
609.32886	1.6
620.24231	0.7
627.33881	1.9
669.40686	100.0
670.41089	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	669.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13516	0.4
58.00591	1.2
59.01381	32.9
59.31277	0.4
60.01725	0.5
70.86098	0.5
70.86430	0.6
71.01382	21.9
72.99303	2.0
73.02949	0.7
83.01367	0.7
85.02956	3.6
86.25237	0.4
87.00861	0.7
89.02444	24.5
95.01369	1.4
96.96031	1.3
99.00871	0.5
99.11024	0.4
101.02446	15.4
113.02448	8.7
119.03500	11.3
119.04937	0.4
131.03465	0.6
143.03494	0.9
145.65015	0.4
149.04601	0.5
161.08212	2.5
179.05611	1.4
191.05608	1.0
254.77278	0.4
265.87903	0.4
318.32608	0.5
323.13458	100.0
324.13785	6.9
345.11285	2.0
480.80975	0.5
554.24603	0.5
668.14423	0.5
669.25696	9.6
670.26086	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	669.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20722	0.3
57.03430	0.9
58.00571	0.8
59.01373	3.6
61.98822	1.2
70.37949	1.3
71.01380	3.3
73.02942	2.2
78.95905	0.6
83.01327	0.5
85.02946	0.9
87.00905	0.4
89.02444	2.5
97.95904	0.4
101.02428	2.6
101.50597	0.4
108.04550	1.0
113.02444	1.3
119.03533	0.7
125.09717	3.3
127.11274	5.2
132.04550	1.0
132.31494	0.4
136.04007	0.5
137.09718	0.9
139.11320	0.5
155.10796	2.4
161.04559	1.0
164.07147	3.0
165.09189	1.8
171.09013	0.6
171.10406	2.0
175.02696	0.6
176.03584	0.6
179.05608	0.5
183.05623	0.4
183.10315	0.8
196.06326	0.5
197.07179	0.6
199.09735	1.4
201.11311	100.0
202.11633	3.8
204.02893	0.9
208.92259	0.4
211.05270	0.8
211.08733	1.6
212.05904	1.0
217.23120	0.4
223.08765	0.4
225.06688	1.5
225.10533	0.3
226.07573	2.5
226.11075	4.1
227.08261	2.5
228.49844	0.4
234.04022	0.5
235.08252	3.0
237.10242	0.5
238.07349	0.4
239.08237	15.9
240.05379	0.4
240.08627	1.1
241.13452	6.6
249.18575	45.1
250.07401	0.8
250.18932	2.4
251.08284	1.0
252.09003	0.8
253.09299	16.2
254.06947	2.3
254.09547	0.6
255.07713	5.0
263.08218	1.5
265.06198	0.7
265.09766	1.2
267.07706	3.8
268.08127	0.5
271.07208	0.8
275.08304	0.7
278.06927	3.8
279.07690	0.7
280.04871	0.7
281.09177	3.1
282.09689	0.6
283.07211	1.6
285.12466	0.9
291.07739	1.5
292.08279	0.6
293.09396	0.7
294.06302	0.5
295.07208	14.2
295.10559	0.8
296.07559	1.5
309.08804	4.5
310.09210	0.7
311.10455	0.6
312.11389	0.4
313.08508	0.4
313.11874	7.1
314.12433	0.8
319.07181	1.0
323.10184	0.9
325.11880	0.8
327.09842	1.1
337.08560	0.5
339.09549	0.5
341.11386	6.4
342.11853	0.6
351.09848	2.4
369.10855	20.8
370.11108	2.3
383.12701	2.4
395.09143	0.8
401.13510	7.6
402.13892	1.0
405.17752	1.0
415.28568	2.7
419.19061	0.8
427.11194	1.0
433.29572	2.0
434.20877	1.4
437.20187	1.3
485.27258	0.4
486.29242	0.4
506.19498	0.5
581.24292	1.3
593.23389	0.7
595.21863	1.5
609.23639	2.9
610.23615	0.9
619.21875	4.0
620.22278	0.5
637.22937	10.4
638.23926	2.4
651.24652	2.1
652.24469	0.4
669.25555	4.8
670.25464	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42825	2.9
61.76336	3.1
61.98819	10.3
70.44521	11.4
73.02937	7.0
78.95865	7.3
83.95943	3.0
91.63375	3.6
94.72325	3.4
132.04486	4.0
150.06818	6.3
152.99568	5.2
164.07173	12.8
175.02768	3.5
179.23433	3.2
201.11288	14.4
211.05139	4.7
211.08698	7.5
212.05888	6.1
223.08644	4.4
226.07458	10.9
226.11118	16.8
227.08241	9.2
235.08777	5.2
239.08234	63.2
241.13475	32.7
249.18608	6.2
250.07277	4.1
251.08119	3.6
253.09659	10.6
254.06955	8.7
255.07716	22.8
263.08212	6.8
267.07669	15.3
278.06967	18.1
281.09351	6.7
283.07294	8.1
285.12302	3.7
291.07736	5.1
293.09143	5.1
295.07227	59.0
309.08749	16.5
313.11890	27.6
314.12204	5.8
319.07211	9.5
323.10208	6.0
325.11865	6.8
341.11359	30.3
342.21924	18.7
351.09668	12.4
369.10883	100.0
370.11169	11.0
383.12402	12.0
395.08408	5.9
401.13474	40.4
427.11215	6.7
434.20200	4.1
581.25177	4.7
593.24451	4.2
609.23425	9.9
619.21686	14.3
637.22772	42.8
638.22949	8.6
669.26086	19.5
669.36774	3.7
670.25623	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	668.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.2
61.98830	100.0
63.77037	0.5
71.01395	0.7
78.95914	0.7
85.94411	0.6
152.99643	1.5
158.79221	0.5
161.19244	0.6
171.10277	8.3
172.06526	0.6
172.10710	1.5
277.21786	4.2
278.22107	2.3
387.33670	0.7
469.20520	0.6
651.52515	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30959	1.8
55.57891	1.8
56.95159	1.8
61.98804	8.5
64.08140	2.1
71.54754	3.4
78.37830	1.8
78.95906	3.7
84.07844	2.1
98.89696	1.9
106.06604	7.3
114.74809	1.9
120.25269	2.0
134.06120	27.4
149.04588	3.6
152.99550	7.1
169.17903	2.1
171.02809	2.0
201.11327	11.1
239.08199	4.1
249.18411	5.9
250.06984	2.5
253.09187	2.3
279.23178	3.0
303.09985	2.8
305.85788	2.0
306.16171	3.4
314.09174	3.0
315.09821	3.3
318.12338	9.1
319.13293	8.6
330.12451	2.2
331.05759	2.3
331.09552	10.3
332.10568	3.2
332.13998	19.5
333.10947	7.1
333.14676	11.5
334.15802	10.0
342.08615	7.4
346.11719	6.9
346.15479	4.6
347.12604	7.7
355.09427	5.1
356.10422	16.9
360.13324	7.2
361.14355	25.5
362.15103	40.6
363.15521	4.7
370.15558	2.9
371.12640	7.0
372.13358	8.2
374.11407	3.8
378.14359	3.5
384.13232	2.3
385.14337	11.7
386.14807	2.8
389.13638	8.2
390.14395	9.2
406.14005	4.8
420.15564	15.2
421.16171	6.3
422.16980	2.4
426.14673	4.1
428.16211	2.8
437.16080	4.1
448.18118	3.8
458.17236	13.3
490.19760	3.1
508.20203	2.4
523.19763	9.0
532.17151	5.7
533.17987	4.7
534.17969	2.7
550.18292	3.9
551.19189	2.5
564.19867	7.1
565.24078	3.3
582.21198	85.6
583.21716	28.5
591.22223	2.9
593.23511	2.2
609.23212	7.1
619.22070	27.6
620.22040	6.5
637.23322	9.7
641.26172	5.8
669.25433	100.0
670.25616	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	667.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	4.1
59.01366	1.8
62.00882	0.4
65.03961	1.2
69.03460	0.8
69.52916	1.7
69.53318	0.6
81.55176	0.3
81.89511	0.4
82.66251	0.5
83.05022	4.0
85.02984	0.7
87.00867	5.5
93.03455	0.9
95.05017	1.4
109.06583	0.7
111.04529	2.0
111.08147	1.5
119.08665	0.8
121.02933	1.3
121.06572	2.6
123.08163	12.5
124.05305	0.9
129.07025	0.5
132.32301	0.4
134.03741	15.0
135.04065	0.4
135.08148	0.5
137.02440	2.6
137.09677	1.4
138.06808	0.5
139.03963	1.0
139.07687	1.9
145.06540	0.4
145.10225	2.1
149.06100	5.7
151.07631	1.7
153.09172	1.8
165.09215	0.6
169.08759	0.9
169.10196	1.7
171.11790	14.1
172.12138	1.4
175.11241	1.0
178.02708	10.7
188.20732	0.5
189.12840	5.1
191.05627	0.5
193.05046	37.0
194.05353	1.6
201.12840	5.2
207.13933	3.1
219.13788	2.1
230.67349	0.5
237.14941	18.4
238.15311	1.3
259.89020	0.4
281.06808	15.8
281.13925	100.0
282.06921	0.9
282.14255	8.0
483.13803	0.4
516.99518	0.4
624.24280	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2774
Annotation	Swietephragmin D
Peak:m/z	Relative Intensity
54.63082	0.8
57.64527	0.9
57.70565	0.7
59.01374	1.6
61.98820	4.0
68.10658	0.7
69.15678	5.5
69.16106	3.6
78.95892	1.3
80.96520	1.5
85.27492	0.9
98.20689	2.0
118.26183	0.8
166.51274	0.8
171.10258	22.1
211.08740	4.6
217.34834	0.9
220.92889	0.8
223.04958	1.0
223.12306	1.4
235.08273	1.0
237.06755	5.1
269.09195	1.0
277.21729	12.5
299.04486	4.9
337.46310	1.0
447.18414	1.2
459.14276	1.1
460.15768	0.9
461.19910	2.1
462.20148	1.0
474.16794	1.5
475.17599	5.0
489.19363	16.1
490.19870	5.0
491.20377	1.0
496.11795	1.1
533.18085	7.1
534.18646	2.5
548.20483	2.3
549.21338	4.6
550.22327	1.1
555.28290	2.4
591.21899	1.1
635.25085	100.0
636.25513	28.9
637.26422	3.8
667.27643	24.6
668.28040	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	667.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97474	0.8
59.01360	3.1
61.98835	4.8
69.33953	4.6
69.34371	2.7
71.01376	1.7
71.78629	0.8
72.52734	0.8
78.95908	2.6
80.05036	0.9
80.96496	2.1
89.02453	1.3
101.02460	2.2
108.08188	1.0
110.91492	0.9
127.11237	1.3
152.99582	2.6
153.09203	2.5
171.10272	100.0
172.10585	3.2
175.82463	0.8
197.07143	1.1
197.11809	1.3
209.10713	1.0
211.08835	6.2
223.12497	1.8
225.13907	2.0
235.08232	2.5
236.05975	1.4
237.06679	6.9
239.08351	1.3
249.18713	1.0
253.09248	8.1
269.09253	1.4
277.21722	72.4
278.22006	3.6
299.04550	1.8
447.18457	1.1
461.19952	1.7
475.17615	4.8
476.18759	1.2
489.19312	15.2
490.20142	4.4
491.21231	1.1
533.18317	7.3
534.18854	2.5
548.20697	1.5
549.21295	4.7
555.27985	1.4
635.25110	87.1
636.25629	27.4
637.26233	2.5
649.85071	1.2
652.25159	2.2
667.27704	36.4
668.28064	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	665.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	3.2
57.14240	2.3
59.01400	12.6
61.98833	17.9
71.01371	16.8
71.53616	3.4
71.53991	3.5
73.02966	4.2
85.02952	7.8
87.00859	2.5
87.04492	5.6
89.02444	3.4
101.02438	9.3
113.02418	7.6
115.04029	3.2
119.03415	3.7
125.02472	3.4
143.03488	13.4
161.04539	9.0
185.41708	2.9
467.29953	7.9
485.31186	100.0
486.31317	13.6
629.35382	32.3
630.35425	6.6
665.33240	30.5
685.75806	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	665.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44013	1.5
59.01368	9.8
71.01385	7.3
71.53262	2.8
77.34329	1.5
85.02983	3.6
89.02451	4.7
101.02464	5.1
101.70191	2.0
113.02425	5.1
117.53173	1.9
119.03536	3.2
178.82770	1.7
179.05479	2.0
198.28259	1.6
229.16208	1.6
313.61423	1.8
430.94031	1.7
467.30426	3.8
629.35406	100.0
630.35773	10.6
665.32751	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	665.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	27.1
61.98835	60.0
71.01379	21.0
71.53712	4.6
73.02929	4.8
85.02946	10.7
87.00831	5.2
87.04532	4.4
89.02450	21.7
96.95975	5.9
101.02437	14.5
113.02435	10.2
113.08051	3.5
119.03494	13.6
125.02457	3.5
125.65884	3.0
143.03488	6.9
161.04619	9.0
171.16983	3.5
179.05606	5.3
327.82910	3.6
373.87061	4.0
467.30103	100.0
468.30594	11.4
485.31415	4.0
629.35474	79.2
630.35889	19.3
654.04980	4.1
665.33698	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	665.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	8.7
71.01382	8.1
73.02947	1.6
83.01396	1.0
85.02949	3.4
89.02451	5.6
95.01392	0.8
99.00861	0.9
101.02435	4.8
107.41016	0.6
109.25151	0.5
110.60660	0.6
113.02423	3.5
117.93804	0.5
119.03487	2.7
129.01917	0.8
161.04573	1.5
162.75360	0.6
179.05579	0.8
279.66956	0.7
293.95105	0.6
467.30139	4.5
629.35400	100.0
630.35797	17.3
647.70819	0.7
665.33032	17.1
666.33368	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	665.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13317	0.7
52.52674	0.7
57.03422	0.8
57.60441	0.7
58.00585	1.4
59.01378	34.7
59.10535	0.7
61.98815	1.0
62.48316	0.9
63.36570	0.7
67.18544	0.7
69.63602	1.3
69.64017	2.7
71.01006	1.4
71.01381	17.8
72.83295	0.6
72.99313	1.8
80.02587	0.7
83.01392	1.1
85.02953	4.6
87.00860	0.9
89.02441	22.9
95.01373	1.0
98.20605	1.4
101.02444	16.5
102.95247	0.6
112.46178	0.7
113.02443	7.8
119.03493	8.9
131.03560	1.0
135.04527	4.7
143.03500	1.4
151.00395	0.9
161.08148	1.0
179.03479	3.3
279.83243	0.7
302.11313	0.7
323.13455	100.0
324.13733	5.7
341.08810	1.5
671.39185	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.6
61.98830	100.0
66.59187	0.3
70.54655	0.8
70.55049	0.6
78.11692	0.3
78.95918	0.4
80.96527	0.5
82.96099	0.4
244.00089	0.4
249.18709	0.5
365.27054	1.2
552.20337	0.9
579.27338	1.5
590.35126	0.4
627.21271	0.6
628.21149	1.9
629.21698	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01719	0.8
61.98837	3.1
63.30512	0.2
71.01382	6.5
72.60938	0.2
72.99300	0.4
83.01378	0.3
85.02956	1.0
87.00867	0.4
87.37453	0.2
89.02443	10.7
95.01397	0.4
95.20322	0.2
99.61657	0.2
101.02434	4.1
106.13075	0.2
113.02445	2.9
119.03506	4.8
126.33775	0.2
129.67305	0.2
131.03514	0.6
135.04518	0.2
143.03523	1.2
149.04602	0.4
161.02689	0.3
161.04552	1.2
173.04553	0.2
179.05595	3.3
180.89583	0.2
191.05634	0.9
192.05891	0.4
225.11812	0.2
481.28146	1.3
545.27203	0.2
663.38068	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.36
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09140	0.8
55.01871	1.3
57.03429	1.1
58.00599	5.1
59.01379	90.8
59.80812	0.8
60.01703	0.9
61.98832	4.8
69.19196	8.8
70.29625	0.8
71.01382	61.1
72.99317	6.3
73.02938	2.7
78.95918	1.0
83.01370	3.3
85.02955	13.6
87.00871	4.3
88.98788	1.1
89.02444	70.9
93.03474	1.3
95.01393	5.2
96.95995	2.1
98.19932	1.9
99.00872	1.2
101.02444	41.0
102.02745	0.9
111.00873	1.0
113.02447	27.4
119.03500	34.9
125.02423	0.9
128.03522	2.4
129.02037	1.4
130.08730	0.8
131.03500	3.3
143.03485	6.4
143.04556	1.8
149.04538	2.4
161.04547	7.1
163.04076	0.9
173.04547	1.6
177.03453	1.6
179.05624	16.7
191.05579	5.9
306.07553	1.9
483.29648	3.1
501.30594	10.2
577.28558	1.0
646.23029	1.0
663.35950	100.0
664.26196	1.6
664.36383	16.2
688.37469	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	663.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.9
57.03435	2.5
58.00579	4.3
59.01379	83.3
61.98835	2.2
69.37108	8.3
71.01379	62.3
72.01727	1.5
72.99302	4.7
73.02943	6.2
77.59329	1.0
83.01402	5.3
85.02950	18.0
87.00870	3.8
89.02445	61.1
92.70354	1.0
95.01369	4.2
96.24337	1.1
99.00895	2.7
101.02439	36.9
111.00856	1.4
113.02445	25.4
119.03503	23.1
131.03491	2.5
142.77599	1.2
143.03485	5.0
143.81876	1.1
149.04539	1.9
159.02954	1.5
161.04543	7.5
179.05583	14.8
209.88330	1.0
244.28786	1.2
260.37228	1.2
339.25519	2.9
483.29797	2.8
501.30725	26.3
502.30981	4.4
663.35919	100.0
664.36322	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	663.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.7
55.56807	0.5
57.03444	2.2
58.00602	3.2
59.01381	69.9
59.86126	0.5
60.01703	0.8
61.98831	11.3
69.41821	1.2
69.42229	2.3
71.01384	48.3
72.99305	3.5
73.02943	4.9
76.58324	0.5
78.98991	0.5
83.01379	4.3
85.02952	13.6
87.00881	2.2
87.04571	0.7
89.02446	40.3
90.02782	0.7
94.06476	0.5
95.01373	3.5
97.02970	0.8
99.00882	4.2
101.02448	28.9
102.39635	0.6
111.00969	0.8
113.02457	19.0
114.02794	0.7
119.03498	17.7
129.01953	1.7
131.03523	2.1
143.03514	3.1
149.04567	1.3
159.02985	0.7
161.04549	5.8
179.05611	9.4
185.11836	1.1
197.08231	0.7
207.10298	0.6
289.17682	0.6
324.28656	0.6
339.25525	1.8
355.69363	0.7
483.29492	1.8
501.30637	22.9
502.30716	3.0
580.97742	0.6
619.29480	1.6
649.23004	0.6
663.36029	100.0
664.36365	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	663.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65499	0.4
58.13023	0.4
59.01367	0.9
61.98817	1.8
64.80266	0.4
70.66702	1.3
71.01356	1.0
72.00923	0.7
75.75150	0.5
85.02927	0.7
89.02464	0.5
91.05542	1.6
93.03465	1.2
100.95330	0.4
101.02418	0.6
128.03511	0.5
128.58350	0.5
129.10342	35.5
130.10663	1.0
135.04526	0.5
141.10373	0.5
143.04546	0.5
147.04510	10.6
148.04752	0.5
164.07155	8.6
165.07518	0.5
173.04631	1.0
191.05595	3.1
233.16597	3.3
271.02621	0.6
277.15558	100.0
278.15869	7.2
280.35626	0.5
300.02859	0.8
323.31018	0.5
663.25397	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16455	0.6
55.01876	2.3
57.03447	2.1
58.00589	2.9
58.90239	0.5
59.01379	74.9
60.01738	0.7
66.37826	0.5
69.03441	0.7
69.42274	4.4
71.01380	43.7
72.99313	2.9
73.02938	4.6
75.26586	0.6
75.65807	0.5
79.26804	0.6
83.01379	3.3
85.02946	13.5
87.00875	2.1
89.02442	36.6
90.02755	1.0
90.40821	0.5
95.01383	4.3
99.00912	1.2
99.04514	0.7
101.02442	24.6
111.00868	0.9
113.02451	15.7
119.03506	15.9
120.03792	0.6
129.01976	0.8
131.03528	1.3
143.03479	1.7
149.04550	1.0
161.04547	2.5
171.10330	1.1
179.05652	4.2
210.43481	0.5
220.79546	0.5
334.28336	0.5
339.25372	1.9
340.54941	0.7
345.67764	0.6
371.13901	0.7
408.62064	0.6
483.29794	2.2
501.30688	25.2
502.30997	3.7
562.99866	0.6
663.35944	100.0
664.36334	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	662.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59142	0.1
59.01366	0.3
61.53366	0.1
61.98829	100.0
62.98547	0.2
82.50833	0.1
96.96018	0.4
98.19743	0.2
116.89088	0.1
118.94219	0.2
149.20607	0.1
160.65321	0.1
161.89571	0.1
210.55746	0.1
366.38333	0.1
404.25171	0.1
440.02576	0.1
481.28308	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.6
59.01372	0.8
60.75624	0.2
60.99316	1.6
60.99573	0.3
61.98832	0.3
67.01886	2.5
68.04561	0.3
69.03434	0.8
70.42358	0.3
71.01379	1.3
71.53629	0.4
71.54066	0.3
73.02938	0.3
81.03437	0.6
83.05012	0.8
85.02947	3.4
87.00882	4.7
89.26353	0.3
93.03461	19.3
94.03801	0.5
99.00884	0.6
99.04543	0.5
109.02959	0.4
109.54901	0.3
111.04510	3.2
119.05034	5.3
127.04001	1.3
127.04852	0.3
129.01971	0.6
143.03551	0.4
145.02959	2.2
155.03491	0.6
163.04002	5.4
173.04561	5.8
191.05618	100.0
192.05975	3.0
222.24016	0.3
279.99139	0.3
337.09277	30.4
338.09546	2.0
585.59937	0.3
602.38324	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51462	5.1
59.01380	53.8
61.98814	12.4
71.01375	48.2
71.01762	6.0
71.01835	5.2
71.02192	5.3
78.95882	11.5
78.98576	5.5
79.95742	6.6
80.96523	57.6
82.96085	8.7
83.01349	3.8
85.02937	10.3
85.18306	4.0
87.00867	19.2
89.02450	53.6
94.98068	6.8
96.38094	4.0
101.02437	23.4
111.22390	4.3
111.59176	4.4
113.02433	20.8
119.03483	19.9
122.97529	5.3
134.97578	5.8
143.03494	5.7
145.75343	3.9
148.99120	7.3
152.99593	9.3
158.77339	3.9
161.04596	4.5
164.98589	14.9
179.05600	17.7
191.05496	4.3
225.00737	19.7
277.21729	90.2
278.21964	11.4
291.23126	5.2
323.09781	30.0
341.10834	50.9
343.00888	4.7
393.09473	4.6
577.26831	100.0
579.27057	20.7
601.32349	9.7
662.24786	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	661.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	21.2
61.98816	19.9
69.99870	18.4
71.01394	37.3
71.22419	5.6
73.02944	7.4
78.95898	9.6
79.95712	9.8
80.96514	56.3
83.01360	5.6
85.02925	11.8
87.00890	36.9
89.02455	28.1
94.98053	8.5
96.95930	4.5
101.02438	27.2
104.34667	4.4
113.02424	24.9
119.03475	8.1
122.97557	5.1
125.02463	5.7
139.59795	4.8
143.03447	6.3
158.73166	4.4
161.04521	5.7
179.05608	11.8
197.43929	5.2
212.55786	4.7
216.95471	4.8
225.00682	8.6
227.10817	5.4
243.01625	6.3
250.56865	3.9
263.81464	4.0
274.93973	4.1
277.21796	64.0
291.23199	9.5
319.22739	10.7
323.09851	21.3
339.04459	4.8
341.10825	57.0
367.13541	5.3
577.18536	7.0
577.26947	100.0
579.27472	8.3
601.32635	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	661.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88601	1.6
55.01863	5.3
57.03438	7.3
58.00582	3.2
59.01380	74.0
69.03466	2.3
69.26132	4.9
69.26557	11.1
71.01382	100.0
72.01717	2.1
72.99308	6.3
73.02951	21.1
75.00866	2.7
83.01411	10.6
85.02949	34.0
86.00102	4.3
87.00887	10.3
89.02449	45.2
95.01369	9.1
97.02924	2.7
98.42010	1.6
99.00883	12.8
101.02439	58.5
111.00890	8.8
113.01704	3.0
113.02449	33.0
119.03503	18.4
129.01950	4.3
141.01950	2.2
143.03508	6.2
155.39355	2.1
159.02953	6.4
160.03835	1.8
161.04549	21.5
173.04317	2.0
179.05589	6.1
179.57135	1.6
235.08223	4.3
451.26938	6.6
463.27127	1.9
465.28555	32.8
466.28961	4.2
487.22385	1.9
510.59113	2.0
532.40283	1.9
582.63287	2.3
587.53693	2.1
594.84076	2.0
627.33807	32.4
628.34265	6.0
636.90265	2.0
661.34509	42.9
662.34772	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	661.344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.6
57.03439	1.1
58.00596	4.8
59.01381	100.0
60.01699	1.4
71.01383	61.8
72.01718	1.6
72.99307	5.0
73.02945	3.0
83.01384	4.2
85.02948	12.6
87.00867	3.4
89.02445	69.3
95.01376	3.6
101.02443	35.2
108.53876	0.9
113.02449	25.6
119.03503	32.9
121.16531	0.8
129.01984	1.2
131.03482	3.0
143.03525	4.5
149.04498	2.2
161.04529	5.8
179.05617	13.9
213.83112	0.8
413.21594	1.9
481.27945	3.0
499.29602	4.3
500.28979	1.2
661.34375	64.6
662.34863	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	661.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.7
57.03458	3.4
58.00592	3.3
58.62171	1.8
59.01381	100.0
61.04201	1.5
71.01385	77.3
71.01785	3.8
72.99299	6.3
73.02937	6.8
75.00909	1.7
83.01390	7.2
85.02954	16.4
86.00116	1.9
87.00866	6.1
89.02442	68.6
95.01388	6.4
98.19947	4.0
99.00863	8.5
101.02443	50.8
111.00865	10.1
113.01717	3.1
113.02451	30.7
119.03500	37.0
129.01938	4.9
131.03453	3.3
141.01906	3.5
143.03502	4.0
159.02940	4.0
161.04539	10.8
167.57542	1.8
179.05626	7.5
260.66437	1.7
383.20609	2.4
551.58545	1.8
627.33966	8.7
661.34375	14.9
662.34662	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	661.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.5
57.03449	2.0
58.00595	4.3
59.01381	100.0
60.01705	1.0
61.98835	1.0
67.01917	0.5
71.01382	64.6
72.01720	0.6
72.99310	5.1
73.02954	3.2
75.00871	0.8
77.14387	0.6
77.71140	0.4
82.38547	0.5
83.01382	3.4
85.02953	12.4
86.00095	0.6
86.03313	0.4
87.00877	3.9
89.02446	82.0
90.02766	1.0
95.01402	4.6
99.00887	2.6
101.02442	40.1
109.06596	7.1
111.00890	4.3
113.02454	26.5
113.03265	1.0
114.02768	0.8
119.03503	35.2
120.03811	0.6
125.02451	0.8
129.01903	1.8
131.03522	3.3
141.01904	1.2
143.02576	0.6
143.03514	6.1
143.04562	0.5
149.04565	3.1
159.02994	1.4
161.04556	6.5
179.05602	14.8
272.47919	0.5
465.27905	0.5
481.27435	1.6
499.28845	0.7
558.96875	0.6
598.91010	0.5
627.32336	0.8
643.33228	1.0
661.34180	8.6
662.33649	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08924	1.2
55.01868	3.0
55.57264	1.0
57.03435	2.5
58.00584	3.3
59.01379	100.0
71.01382	60.9
72.99302	4.7
73.02945	3.7
83.01382	4.0
84.45777	1.0
85.02946	16.9
87.00883	4.1
89.02444	64.0
95.01383	4.9
99.00885	3.2
101.02441	37.6
111.00876	1.3
113.02449	23.0
116.30354	1.1
118.02632	1.2
119.03506	29.9
129.01949	1.6
131.03493	3.5
143.03487	4.8
149.04460	1.6
161.04500	7.3
172.87445	1.3
174.47105	1.1
179.05586	10.8
225.08852	1.1
315.14398	1.4
481.27887	2.0
499.29196	8.7
624.26129	1.2
661.34412	71.8
662.34839	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	661.3444
Annotation	Ervafolidine
Peak:m/z	Relative Intensity
51.22102	1.1
55.01870	3.1
57.03449	2.1
58.00593	3.5
59.01381	68.1
59.26370	1.0
59.71212	1.2
60.01710	1.2
61.98829	9.4
63.29389	1.2
65.10812	1.1
67.31107	1.0
71.01384	59.0
71.52763	1.8
72.01743	1.5
72.99308	4.7
73.02955	7.1
74.38078	1.0
75.00904	1.9
78.16914	1.1
83.01380	5.5
85.02955	18.5
87.00881	3.3
89.02448	47.8
95.01402	3.5
96.96024	2.3
98.95582	1.6
99.00861	5.7
101.02446	36.0
111.00903	2.5
113.02459	22.8
119.03515	20.9
131.03532	2.5
143.03551	3.5
149.04524	2.5
159.02975	1.5
161.04517	6.8
179.05627	7.5
191.05621	1.9
199.13409	1.7
207.10281	2.3
209.11768	2.0
225.11371	3.2
243.12445	2.8
394.38620	1.0
432.83005	1.3
435.63318	1.3
479.21384	1.7
481.28137	3.0
499.29111	19.1
661.34479	100.0
662.34875	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	661.308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.8
57.03421	0.5
59.01378	9.6
59.66929	0.6
61.98827	2.7
69.03470	0.7
71.01383	8.8
71.52189	0.8
72.99290	0.7
73.02940	3.5
79.42590	0.5
83.01399	0.9
83.05022	0.6
85.02921	3.0
87.00862	1.4
89.02448	5.3
89.15144	0.6
93.03457	0.6
95.01394	1.3
95.05033	5.9
96.95988	0.9
97.02930	1.7
97.06584	10.5
97.81598	0.6
98.06954	0.7
99.00882	38.7
101.02451	6.4
110.03709	0.7
111.00896	0.7
113.02436	2.5
116.55084	0.6
117.07104	1.6
119.03482	1.4
123.04474	1.7
125.09721	0.6
127.11316	0.7
129.01936	0.8
133.06544	0.8
135.08176	6.1
142.02736	0.7
143.03519	0.7
153.09213	14.2
161.04596	1.2
165.12848	5.7
171.10269	3.3
179.07106	2.0
183.13896	56.2
184.14192	2.5
191.05621	1.4
197.08212	9.0
197.11839	1.3
209.11760	1.7
209.35085	0.6
215.09251	8.2
225.11298	0.7
227.12863	5.2
234.28650	0.6
253.09262	1.7
285.03668	0.6
291.35022	0.6
330.65912	0.6
433.17188	0.9
451.18036	4.2
452.18542	0.9
463.21814	8.3
464.22510	1.1
499.26733	1.0
617.31641	5.4
618.32062	0.8
643.29761	4.5
644.29932	1.0
661.30762	100.0
662.31201	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38139	1.1
55.01861	2.2
59.01376	28.2
61.30509	1.0
61.98813	1.2
70.34865	1.2
71.00224	2.7
71.01385	23.7
71.05003	1.6
72.99305	2.2
73.02913	4.1
83.01353	3.6
83.65134	1.2
85.02959	6.7
87.00845	3.1
89.02446	14.7
91.57217	1.1
95.01366	2.1
97.02919	3.0
97.06586	1.7
99.00880	20.4
101.02448	12.7
110.03700	1.2
111.00819	2.0
113.02457	7.6
119.03473	5.1
125.09695	5.1
129.01930	1.3
137.09671	3.9
142.02669	1.5
155.09624	1.3
155.10789	22.4
156.11017	1.2
161.04530	3.1
163.11253	6.0
181.12344	16.6
182.12521	1.2
183.03404	1.3
199.09532	1.7
199.13394	11.0
207.10266	21.4
210.44279	1.3
225.11296	35.5
225.19797	1.1
226.11649	2.0
243.12338	19.7
244.12558	1.4
253.09332	1.1
435.18311	2.1
469.28217	8.2
470.27353	1.4
479.21106	7.3
480.21530	1.4
499.29349	2.6
525.52106	1.4
617.31641	6.9
618.31226	1.2
643.29089	4.8
661.30804	100.0
662.31201	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	661.286
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71634	1.0
59.01379	6.3
60.99319	1.2
61.98829	6.3
67.01898	9.3
69.03435	2.0
69.67236	7.0
71.01385	7.0
71.32137	1.0
72.16367	1.1
73.02969	1.4
76.16058	1.1
76.57432	1.0
81.03458	2.5
82.59664	1.1
83.05001	1.0
85.02949	9.7
87.00871	6.9
90.06259	1.2
93.03455	56.0
94.03829	1.9
101.02462	1.2
105.03462	2.4
109.02939	3.0
111.00873	1.8
111.04516	7.0
121.02938	2.5
124.01666	2.9
125.02479	1.4
127.03976	2.2
129.01878	1.2
133.02937	14.5
134.03726	8.6
135.04524	85.3
136.04861	2.2
137.02458	7.5
150.03189	3.6
151.03995	7.5
155.03477	5.7
158.38002	1.3
160.01654	1.9
161.02504	5.3
173.04547	86.4
174.04846	2.5
177.01912	4.6
178.02644	7.1
179.03484	21.9
191.05605	100.0
192.06044	2.8
215.05612	1.4
239.82350	1.2
269.11868	2.3
287.13016	1.3
307.08212	3.6
307.18909	1.6
308.08936	11.5
309.20660	4.9
351.07269	11.1
352.07956	12.2
353.08847	5.5
410.80743	1.1
425.23233	4.6
443.24435	11.1
444.24902	1.3
451.21390	1.9
469.22318	21.8
470.22620	2.5
487.23148	10.9
488.23514	1.5
609.45837	1.2
661.28656	42.9
662.29108	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	661.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79347	1.1
57.03452	1.4
59.01381	5.6
61.98826	6.9
67.01883	8.9
69.03458	2.2
69.99792	1.2
71.01384	7.5
71.53874	2.2
81.03476	1.7
83.04999	2.1
85.02958	8.3
87.00890	7.0
88.98737	1.2
93.03459	54.0
94.03801	1.4
101.02415	1.6
105.03445	2.4
108.02132	1.3
109.02937	2.9
111.04503	6.9
115.45877	1.1
124.01658	3.1
125.02446	2.4
127.03974	2.4
133.02957	13.1
134.03770	9.1
135.04526	85.1
135.72115	1.3
136.04776	1.4
137.02460	6.1
139.03967	1.4
144.59898	1.1
150.03148	1.4
151.04021	7.6
155.03455	4.8
156.28299	1.4
161.02440	7.4
171.10237	1.7
173.04543	89.5
174.04865	2.9
177.01962	6.0
178.02693	4.9
179.03484	22.5
191.05605	100.0
192.05920	1.8
215.05525	3.6
307.08398	3.1
308.08975	9.0
309.20630	3.4
351.07224	9.8
352.07828	10.2
353.08752	4.5
425.23419	5.0
443.24326	13.3
451.21158	3.4
469.22263	18.5
470.22586	2.5
487.23279	10.6
488.23593	1.5
661.28540	40.4
662.28967	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	659.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.7
58.00595	6.3
59.01381	100.0
61.98825	11.0
66.94279	2.2
69.03458	2.6
71.01380	82.5
71.23228	5.9
71.23623	2.8
72.99307	6.7
73.02939	8.3
81.73154	2.4
83.01395	3.1
85.02940	18.7
85.99490	2.4
87.00899	14.8
89.02444	68.4
95.01398	4.9
99.00882	5.9
99.04521	3.8
101.02448	54.7
111.00828	2.5
113.02458	32.1
114.32411	2.8
119.03490	36.7
123.08169	3.5
125.02452	4.1
131.03477	4.2
143.03532	6.0
143.04582	3.4
161.04547	6.8
173.04683	3.0
177.02020	3.2
177.03441	10.9
179.05617	12.1
179.10696	2.4
191.05574	3.7
197.11848	16.9
199.09723	3.0
209.11786	3.3
437.27493	6.5
461.25507	4.3
479.26456	35.7
497.27493	42.0
498.27643	5.6
499.29111	6.4
606.96692	2.9
659.32751	78.2
660.31549	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	658.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.2
61.98830	100.0
68.07520	0.2
71.01389	0.9
85.02943	0.4
98.19923	0.6
101.02438	0.6
113.02448	0.3
119.03493	0.3
135.04640	0.3
173.80545	0.3
191.05579	0.6
193.22739	0.3
195.10172	0.3
197.11809	1.4
199.13484	0.9
209.11861	0.3
308.72931	0.3
407.88620	0.3
433.28094	0.4
457.28500	0.3
458.28809	0.9
595.33173	0.8
596.34363	0.4
617.35651	0.4
658.31757	2.0
659.32520	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	659.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.6
57.03433	1.8
59.01379	29.8
61.98834	7.3
71.01385	30.8
71.52496	1.3
71.52857	1.2
72.99284	1.3
73.02941	6.3
83.01385	3.1
85.02953	11.1
87.00873	2.1
89.02454	16.1
95.01411	2.5
95.75481	1.4
97.02985	1.5
97.06608	1.7
99.00858	3.3
99.04523	5.7
101.02444	19.5
111.96492	1.1
113.02455	14.4
119.03496	5.9
129.01962	1.4
153.09207	1.7
161.04512	1.4
167.10811	2.8
179.05589	2.1
183.00659	1.2
197.11717	2.5
221.15599	1.4
225.11295	2.4
225.18068	1.4
319.22748	2.6
320.23453	1.3
335.22296	1.6
428.90955	1.4
479.26608	9.9
497.27567	100.0
498.28030	13.1
659.32892	30.3
660.33545	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	658.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	3.4
60.99302	1.5
61.98829	9.1
71.01378	2.0
71.52765	1.7
74.65719	0.8
80.64655	0.9
88.98808	1.5
89.02418	1.9
93.03446	1.1
94.59737	1.2
96.96003	2.2
103.24842	0.8
108.02129	1.2
123.65289	0.8
135.42268	1.1
151.00365	4.5
163.00346	1.0
171.10310	1.4
173.04524	1.1
178.99840	2.6
191.05539	4.6
218.77814	0.8
225.07593	1.2
225.11362	1.8
226.02783	1.5
227.03508	1.7
243.02882	7.5
254.02187	2.0
255.02957	19.7
271.02469	45.0
272.02908	5.0
277.15475	1.1
299.01929	2.2
300.02719	100.0
301.03281	16.8
397.13547	1.1
595.12976	83.0
596.13208	11.5
658.35803	1.2
664.64233	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00468	8.8
61.98818	26.3
64.13897	10.6
69.03429	11.2
71.51953	15.8
83.53636	9.6
89.53204	8.9
103.85391	9.3
115.66642	9.4
137.09712	14.6
139.11223	11.1
168.86002	9.1
171.10260	100.0
186.39992	9.6
201.11295	19.0
211.13316	15.3
232.15462	10.8
327.21713	83.3
329.23334	65.3
456.43250	10.9
657.35242	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	657.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.2
57.03448	2.9
58.00583	2.4
59.01377	40.1
61.98828	13.6
71.01382	41.1
71.08452	1.2
71.08801	2.4
72.99303	2.5
73.02943	7.3
83.01388	5.2
85.02958	16.2
87.00874	2.9
89.02439	19.4
95.01395	3.8
96.30669	1.1
99.00874	4.9
101.02444	23.7
110.29350	1.2
111.00887	2.7
113.02441	13.9
119.03502	8.5
127.56273	1.0
129.01949	2.1
131.03543	1.6
136.25842	0.9
137.47224	1.1
143.03493	1.7
161.04547	3.6
166.59671	1.0
179.05670	2.6
180.90512	1.0
182.10207	1.2
191.05693	1.3
192.10289	1.1
199.13417	1.3
209.11734	5.1
210.70998	1.0
211.13396	7.1
252.28966	1.1
433.25766	2.1
467.30170	13.5
468.30576	2.7
499.17746	1.1
611.35052	1.7
629.35406	100.0
630.35870	16.4
657.37225	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	657.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48743	1.2
57.03425	1.2
59.01381	15.5
61.98834	14.4
69.03464	8.5
69.32327	3.8
69.32754	4.7
71.01386	8.6
71.05019	2.8
72.99300	1.7
74.54362	1.0
81.03468	1.2
83.05044	2.0
85.02942	3.3
87.00883	1.9
88.98779	1.3
89.02452	6.0
93.03431	1.0
96.95982	1.8
97.02946	2.1
97.06606	1.2
99.00866	1.9
101.02417	5.1
103.04066	1.0
107.05053	1.6
109.06597	1.2
111.00886	1.2
111.04500	1.0
113.02449	3.4
119.03491	1.2
125.09734	4.3
128.03496	1.0
130.27907	1.0
133.06578	1.5
134.06099	2.3
135.08159	4.2
145.02994	1.1
151.11314	2.4
153.09218	28.1
153.12862	2.6
154.09477	1.2
157.26994	1.0
161.04579	1.8
161.09712	3.2
173.04515	1.8
179.07147	1.7
179.10782	6.6
185.00900	4.1
191.05611	3.0
197.11826	100.0
198.12181	5.0
209.11891	1.4
241.10823	5.6
253.09325	4.6
313.11673	1.0
323.68417	1.2
333.20886	2.1
351.21805	1.6
359.18579	1.0
477.19547	7.8
478.20206	1.3
613.29041	30.1
614.28992	4.2
657.27655	93.3
658.27875	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	657.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48743	1.2
57.03425	1.2
59.01381	15.5
61.98834	14.4
69.03464	8.5
69.32327	3.8
69.32754	4.7
71.01386	8.6
71.05019	2.8
72.99300	1.7
74.54362	1.0
81.03468	1.2
83.05044	2.0
85.02942	3.3
87.00883	1.9
88.98779	1.3
89.02452	6.0
93.03431	1.0
96.95982	1.8
97.02946	2.1
97.06606	1.2
99.00866	1.9
101.02417	5.1
103.04066	1.0
107.05053	1.6
109.06597	1.2
111.00886	1.2
111.04500	1.0
113.02449	3.4
119.03491	1.2
125.09734	4.3
128.03496	1.0
130.27907	1.0
133.06578	1.5
134.06099	2.3
135.08159	4.2
145.02994	1.1
151.11314	2.4
153.09218	28.1
153.12862	2.6
154.09477	1.2
157.26994	1.0
161.04579	1.8
161.09712	3.2
173.04515	1.8
179.07147	1.7
179.10782	6.6
185.00900	4.1
191.05611	3.0
197.11826	100.0
198.12181	5.0
209.11891	1.4
241.10823	5.6
253.09325	4.6
313.11673	1.0
323.68417	1.2
333.20886	2.1
351.21805	1.6
359.18579	1.0
477.19547	7.8
478.20206	1.3
613.29041	30.1
614.28992	4.2
657.27655	93.3
658.27875	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	655.391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35707	0.5
57.03425	1.6
59.01373	15.9
61.98835	1.5
71.01380	8.6
72.99302	5.9
73.02928	1.8
75.00864	2.7
83.01398	3.7
85.02957	5.3
86.00095	1.2
87.00877	1.2
89.02424	1.7
95.01361	0.8
95.16002	0.6
99.00868	1.3
101.02451	12.9
111.00854	0.7
113.02435	2.8
123.85406	0.6
125.02398	0.8
161.04448	0.7
173.04485	1.3
177.25615	0.6
195.13832	0.6
229.33163	0.8
239.38173	0.7
493.33981	3.0
613.34674	2.6
637.37854	0.9
648.45013	0.9
655.39056	100.0
656.23413	0.7
656.39355	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	657.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	14.1
61.98827	17.8
69.03461	12.5
71.01385	9.7
71.05009	2.0
71.13454	2.3
85.02951	5.1
87.00890	2.2
88.98827	1.4
89.02456	3.4
93.03484	2.1
95.01348	1.6
95.94817	1.2
96.96017	2.8
97.02923	2.7
99.00882	3.3
101.02458	6.2
106.06624	2.3
113.02449	3.1
119.03440	2.8
121.02975	1.5
125.09731	3.1
134.06113	5.4
135.08124	2.4
143.46953	1.2
144.83401	1.3
151.11279	2.7
153.09215	22.7
153.12804	2.6
161.04561	1.4
161.09747	3.1
173.04497	1.7
179.10757	6.6
185.00969	6.0
191.05615	2.8
197.11827	100.0
198.12129	5.0
206.46597	1.3
211.13429	1.8
223.09682	2.4
225.11317	2.4
241.10753	5.2
253.09328	4.0
256.37933	1.4
311.01929	1.2
333.21060	1.2
359.17886	1.5
425.67252	1.2
432.27487	1.3
452.17841	1.7
471.25992	1.9
477.19421	5.6
495.36533	1.5
543.66052	1.3
613.29602	27.0
614.28784	4.0
639.26483	2.6
657.27563	93.7
658.27924	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	655.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	4.1
58.00578	4.6
59.01380	100.0
59.32232	3.3
61.76917	3.0
61.98834	72.6
63.99240	7.3
64.33217	3.2
71.01384	65.5
71.54379	4.8
72.99312	6.1
73.02943	25.2
78.95901	5.8
83.01398	12.6
85.02943	24.5
87.00883	11.9
89.02457	41.6
92.28246	3.4
95.01396	3.7
101.02444	81.3
103.04010	19.3
113.02465	14.1
115.04022	3.3
119.03475	22.8
125.02435	5.7
131.03506	9.4
136.07675	5.4
143.03514	13.4
145.05074	8.7
149.04659	4.7
161.04526	8.8
163.06134	67.3
171.10341	3.7
179.05663	7.1
205.07158	32.9
216.16504	3.5
430.84091	3.6
449.28973	12.2
449.34671	4.5
450.29529	4.2
513.51709	3.6
591.22180	4.9
595.34943	33.0
596.35406	5.3
655.26733	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	655.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48149	0.4
57.03448	4.4
59.01379	11.4
59.32076	0.4
61.98829	1.3
62.05671	0.4
66.55715	0.4
69.03471	1.0
70.76369	0.4
71.01376	4.6
71.05038	0.4
71.53007	0.6
73.02973	0.6
78.95918	0.7
80.52781	0.4
81.67678	0.4
83.01359	0.5
83.05032	0.9
85.02956	0.9
89.02446	4.4
95.01432	0.5
95.05022	1.1
97.06590	13.4
101.02428	3.1
113.02419	2.1
119.03474	1.0
123.08153	6.7
125.02487	0.5
125.09721	100.0
126.10065	4.2
141.01683	2.7
143.03563	0.8
143.10793	1.3
152.99637	0.5
161.04565	0.7
169.08649	2.4
179.05553	1.0
187.09746	72.1
188.10138	3.1
201.11224	0.4
229.10847	0.4
249.18581	11.5
250.18924	1.0
253.09270	1.4
261.13409	0.7
279.23160	0.6
380.40005	0.5
405.17627	6.2
423.18701	20.3
424.19006	1.8
424.96326	0.4
462.12057	0.4
595.29077	0.9
655.36945	85.5
656.37250	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	655.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55968	0.8
57.03436	2.0
59.01386	6.8
61.98815	1.7
67.01894	6.8
69.03431	1.6
69.22970	8.6
69.83604	0.8
71.01377	9.4
73.02904	2.1
81.03458	0.9
81.25728	0.8
83.01352	2.1
83.71275	0.8
85.02949	4.5
87.00836	1.7
89.02418	2.3
93.03462	41.4
98.19815	1.8
99.00811	1.0
101.02454	4.5
102.76564	0.8
109.02942	1.3
111.00837	2.0
111.04506	6.1
113.02395	3.4
119.03447	1.3
129.62299	0.8
137.02441	8.1
155.03491	6.9
171.10199	1.0
173.04544	100.0
174.04814	2.6
273.69452	0.8
303.23035	3.8
319.22513	1.3
411.91507	0.9
474.81186	0.9
481.28021	25.5
482.27841	2.3
620.85840	1.1
651.96210	1.0
654.41040	1.4
655.32635	34.3
656.33698	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	654.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68567	2.5
61.98829	100.0
65.99793	2.2
71.52853	2.0
78.95906	7.3
152.99602	4.0
255.23186	3.1
256.23538	4.7
316.99265	2.2
321.40414	2.1
339.12027	2.0
406.62659	2.0
522.16241	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3255
Annotation	Ajadine
Peak:m/z	Relative Intensity
59.01373	8.6
61.98846	30.5
71.01394	5.0
80.88213	4.6
98.20689	11.2
101.02473	5.3
101.36617	4.5
106.06529	4.3
123.63358	4.2
135.37151	4.9
157.62683	5.1
191.99251	4.8
209.11774	15.3
223.08853	4.8
229.65808	7.3
229.80757	5.4
418.24808	4.8
552.61237	5.2
581.14758	5.2
655.32672	100.0
656.32983	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	653.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52360	0.4
55.01878	2.4
55.37233	0.4
57.03458	1.7
57.03684	0.4
58.00585	1.5
59.01380	36.8
60.01714	0.4
61.39262	0.3
64.12439	0.3
71.01381	31.8
72.01725	0.5
72.99319	2.1
73.02946	7.6
75.00869	0.5
83.01389	4.6
85.02948	13.0
86.03310	0.4
87.00865	1.6
88.57255	0.4
89.02447	17.2
95.01383	2.9
97.02995	0.4
98.19936	1.0
99.00893	2.6
101.02441	21.0
111.00870	1.5
113.02450	12.9
119.03512	6.3
125.02460	0.7
129.01968	0.5
131.03534	0.4
143.03487	1.5
149.04553	0.7
152.71788	0.5
159.02985	1.1
161.04549	4.2
179.05614	1.8
207.70624	0.4
326.71524	0.4
383.93451	0.4
455.26913	0.5
491.35898	20.1
492.36322	1.9
653.41138	100.0
654.41443	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33428	0.3
55.01885	1.1
55.74266	0.3
55.84808	0.3
57.03443	1.1
58.00594	1.7
59.01381	44.3
60.01717	0.4
67.01906	0.4
68.99805	0.4
69.03452	2.2
71.01382	37.5
72.01707	0.4
72.99310	2.3
73.02948	6.6
75.00880	0.6
77.04041	0.3
77.51379	0.3
79.69968	0.3
81.03452	1.5
83.01391	4.5
85.02952	8.3
86.03323	0.4
87.00879	8.7
87.04540	0.4
89.02446	34.7
90.02806	0.5
91.03999	0.9
93.03454	0.4
95.01380	2.4
97.02954	6.7
97.33132	0.3
99.00877	2.1
99.04510	0.6
101.02444	30.8
102.02842	0.4
103.04043	0.6
109.02952	0.8
111.00888	0.6
111.04532	1.3
112.01693	0.5
113.02450	15.9
115.04079	0.8
117.76428	0.3
119.03503	10.1
121.02958	0.6
124.01669	0.5
125.02451	13.2
126.02785	0.5
127.04024	0.5
129.01970	0.4
131.03514	1.5
133.05070	1.3
139.04037	1.1
141.01973	0.9
143.03502	7.7
144.03780	0.4
149.04556	1.2
161.04561	7.9
162.04959	0.4
164.61238	0.3
167.03511	1.1
169.05093	0.7
173.12593	0.3
179.05611	6.7
185.04573	0.6
199.06073	0.7
203.05624	0.3
217.07187	1.3
221.06668	2.6
229.61563	0.3
233.95358	0.3
235.08217	14.9
236.08487	0.6
237.22119	0.4
245.06683	0.8
253.09283	3.6
255.23285	100.0
256.23648	7.8
259.08167	0.4
263.07666	1.8
269.24908	0.5
277.09351	0.7
278.75226	0.3
287.07758	3.3
288.07977	0.5
305.08749	4.3
323.09766	1.8
361.11417	0.6
379.12381	0.9
397.13489	86.9
398.13864	7.3
415.14560	33.9
416.14847	2.4
482.97681	0.4
495.00143	0.4
628.29633	0.4
653.37708	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74564	0.3
51.08606	0.3
55.01877	1.6
57.03445	1.0
58.00600	1.8
59.01382	45.4
60.01710	0.4
67.01921	0.4
68.99795	0.7
69.03455	2.8
71.01384	35.2
72.01729	0.4
72.99313	2.5
73.02946	6.7
75.00878	0.8
81.03471	2.0
82.50694	0.3
83.01385	4.3
83.05059	0.4
85.02957	7.4
86.00104	0.5
87.00880	9.6
89.02448	33.3
90.02804	0.5
91.04005	0.6
93.03466	0.4
95.01389	2.7
97.02952	6.9
98.20607	0.6
99.00864	2.4
99.04514	0.5
101.02446	30.7
103.00371	0.3
103.04017	0.5
109.02969	0.7
111.00864	0.5
111.04550	1.4
113.02451	14.9
115.04000	0.6
119.02662	0.6
119.03510	10.8
121.02967	0.7
123.00895	0.4
124.01651	0.4
125.02448	13.4
127.04024	0.5
131.03534	2.1
133.05089	1.1
137.02446	0.3
139.04030	0.9
141.01984	0.8
143.03499	6.0
149.04565	1.3
157.05235	0.4
161.04562	7.8
167.03532	0.8
169.04994	0.7
171.02982	0.5
179.05605	7.1
185.04541	0.8
199.06166	0.5
203.05527	0.5
217.07182	1.2
219.05217	0.4
221.06682	2.2
235.08231	14.7
236.08545	0.9
245.06651	0.7
253.09270	3.2
255.23289	100.0
256.23630	8.5
263.07678	1.6
269.24860	0.7
277.09293	0.9
287.07745	4.0
305.08759	4.1
306.09161	0.4
323.09824	1.4
379.12366	1.2
397.13504	84.1
398.13855	5.8
415.14560	33.2
416.14890	2.2
635.24432	0.7
653.25885	1.2
653.37451	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	653.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.9
58.00587	2.0
59.01382	29.8
61.98842	1.6
69.03450	1.5
71.01380	25.9
72.99290	1.7
73.02937	2.4
83.01385	1.8
85.02966	4.7
87.00860	1.8
87.89930	0.8
89.02446	26.1
89.81599	0.8
95.01374	2.0
95.21504	0.7
97.18504	0.7
101.01789	1.4
101.02440	17.6
108.83055	0.8
113.02461	10.1
113.06094	72.6
114.06406	1.7
119.03512	16.2
123.04509	0.8
129.53780	0.8
131.03485	1.4
143.03493	2.4
149.04556	1.1
161.04543	3.4
162.94093	0.8
163.80463	0.9
179.05646	4.7
193.99030	0.8
225.20740	0.6
230.74561	0.8
299.20230	1.0
349.25406	2.8
351.26917	4.6
375.27216	0.8
393.28043	5.8
455.27878	0.9
591.35126	1.8
600.84161	0.9
635.34985	1.8
653.35400	100.0
654.35779	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	653.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.8
55.51093	0.2
57.03450	2.3
58.00603	0.9
59.01381	100.0
60.01719	1.1
67.01900	0.6
67.73486	0.2
68.99816	0.4
69.03456	2.1
69.85423	0.4
69.85832	0.8
71.01382	32.4
71.79219	0.2
72.01743	0.5
72.99307	1.8
73.02950	6.5
75.00877	0.5
81.03475	0.6
83.01390	4.4
84.02159	0.5
85.02953	18.6
86.00094	1.2
86.03316	0.4
87.00879	3.2
89.02445	8.8
95.01391	5.4
97.02960	4.1
99.00882	4.0
101.02444	15.1
109.02951	0.3
111.00876	1.4
111.04462	0.2
112.01665	1.8
113.02452	33.2
113.43210	0.2
114.02773	0.7
115.04005	1.1
119.03509	3.4
123.00890	0.5
124.01665	6.5
125.02459	10.3
126.02776	0.4
127.04061	0.3
129.01962	0.4
131.03502	0.5
135.04614	0.2
137.02437	0.2
139.00304	0.3
141.01883	0.3
142.02724	0.7
143.03502	8.0
144.03845	0.2
149.04613	0.3
155.03503	0.2
159.03009	0.7
161.04561	5.9
162.04861	0.3
172.55232	0.2
179.05623	0.7
185.04524	0.3
186.97467	0.2
369.28131	0.2
449.29132	3.4
450.29343	0.5
467.30115	1.9
491.30075	0.4
509.30890	0.4
519.29767	0.8
527.29962	0.2
529.32019	0.2
537.30865	0.4
545.31165	0.6
547.32983	0.4
557.31097	0.9
563.32355	0.3
575.32050	0.8
581.33392	0.2
593.33282	8.1
594.33472	0.9
611.34326	33.0
612.34601	5.1
653.35077	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69796	0.2
59.01370	0.4
62.96386	0.6
70.95087	0.6
78.95905	100.0
96.96966	0.9
102.85812	0.2
108.31091	0.2
114.31182	0.2
125.09725	0.2
141.05247	0.2
142.05356	0.2
148.98894	0.3
149.00099	5.0
151.86273	0.2
152.99606	1.8
158.92517	0.3
171.10294	0.4
179.01189	0.4
184.08958	0.2
205.15941	2.6
206.16194	0.2
255.23305	2.2
285.12686	3.2
286.13113	0.3
312.71609	0.2
322.50647	0.2
324.60788	0.2
355.16727	2.5
385.17828	0.9
385.98941	0.2
431.17975	0.2
447.13425	5.4
448.13663	0.6
510.38647	0.2
611.98859	0.3
653.30072	45.8
654.30420	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	653.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.6
55.80861	0.2
57.03451	2.6
58.00588	1.0
59.01379	100.0
60.01712	1.3
67.01893	0.3
68.99825	0.3
69.03463	2.2
71.01382	35.0
71.51889	0.3
72.01721	0.4
72.99312	1.4
73.02946	6.7
75.00882	0.4
81.03459	0.8
82.92828	0.2
83.01386	4.5
83.01878	0.2
84.02187	0.5
85.02951	20.4
86.00099	1.0
86.03288	0.3
87.00871	3.3
87.04479	0.2
89.02443	9.0
95.01387	5.9
96.96000	0.2
97.02956	4.3
98.20267	0.3
99.00887	3.8
99.04496	0.2
101.02443	14.3
109.02838	0.2
111.00858	1.1
112.01676	1.4
113.02450	34.3
114.02795	0.6
115.04013	1.4
119.03481	2.7
123.00904	0.4
124.01665	6.9
125.02449	10.0
127.04012	0.3
129.01950	0.7
131.03481	0.5
141.01897	0.4
142.02663	1.0
143.03499	7.4
143.32904	0.2
149.04591	0.3
155.03445	0.2
159.02980	0.8
161.04555	6.6
162.04822	0.2
179.05627	1.1
185.04512	0.3
274.87561	0.2
288.15637	0.2
369.27869	0.2
397.27505	0.3
449.29071	4.6
450.29123	0.2
467.30154	2.1
468.30334	0.2
491.29922	0.3
509.31326	0.3
510.89774	0.3
519.29675	0.5
533.31293	0.3
537.30188	0.4
545.31262	0.7
547.32959	0.4
557.31158	1.3
575.32117	0.9
593.33221	8.2
594.33685	1.0
611.34296	33.6
612.34723	5.0
614.32446	0.2
653.34961	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2666
Annotation	Cryptophycin 1
Peak:m/z	Relative Intensity
55.01871	1.2
59.01114	1.1
59.01384	15.7
61.98839	6.0
69.03451	1.6
71.01386	12.2
71.52486	1.0
72.99302	1.2
73.02940	2.4
83.01388	11.8
83.05019	2.3
85.02939	3.4
87.00874	2.1
89.02448	11.5
93.03432	1.6
95.01369	1.0
96.96014	1.4
97.02946	1.9
101.02457	9.6
109.02962	0.6
113.02448	3.6
116.92866	4.3
117.01961	0.9
119.03477	2.8
123.04639	0.6
125.02431	2.1
125.09735	2.2
131.03491	0.7
143.03513	1.6
161.04494	1.6
165.12778	0.7
167.14464	1.2
169.12419	0.8
171.10271	16.5
172.10603	0.8
175.11252	1.4
179.05550	0.9
183.13899	1.6
191.05629	2.3
193.12317	9.7
195.10214	2.2
200.83859	0.6
211.13393	35.9
212.13727	2.4
221.06544	1.3
231.92088	0.8
235.08171	1.9
237.11313	1.6
248.14276	0.8
255.12401	6.2
354.99792	0.7
355.86539	0.7
397.13593	8.6
415.14572	4.4
463.92514	0.9
471.62836	0.7
545.18805	0.9
609.27588	0.9
653.26636	100.0
654.27118	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	653.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.0
61.98843	1.5
69.30164	4.8
71.01398	0.8
72.06557	0.6
83.59875	0.8
98.19913	1.5
104.05117	0.7
106.06580	1.3
108.04558	2.2
132.04547	1.6
133.01410	1.1
133.05006	0.8
134.04735	3.5
134.06088	1.0
135.04514	0.7
137.27583	0.7
158.02483	0.7
160.04031	12.3
164.07187	2.4
175.02892	0.6
186.01991	0.6
188.03485	0.9
190.05074	1.1
204.02988	0.9
210.07939	1.8
211.08713	4.0
218.04585	4.8
223.08690	2.1
225.06699	0.9
225.10326	1.1
226.11087	10.9
226.13226	0.9
227.11565	0.9
235.08713	1.3
236.05804	0.9
237.06673	2.3
238.07462	9.7
239.08260	11.8
240.08549	0.8
241.13461	14.4
241.15942	0.9
242.13872	0.8
249.06737	1.4
249.10355	3.8
250.07477	1.8
251.04398	0.9
251.08220	11.1
251.10741	1.1
252.08972	5.2
253.09680	2.3
263.08264	3.8
264.05493	0.7
264.08820	1.2
265.06158	1.8
265.09790	6.2
266.06961	7.3
266.09851	1.0
267.07697	5.2
267.11084	1.1
275.08350	2.2
277.09738	4.7
278.07040	5.5
278.09924	1.3
279.07758	26.3
280.08359	3.9
285.12506	0.8
293.09314	10.3
294.09732	1.2
303.07635	1.1
308.07925	0.7
309.12598	1.0
310.09665	4.7
311.10355	3.5
319.07397	1.0
321.08780	76.0
322.09143	5.9
325.11957	4.7
335.10577	0.7
353.11417	100.0
354.11734	8.0
385.14069	13.2
386.14337	1.0
411.12039	2.8
434.21021	3.8
535.19684	0.9
545.22382	0.8
577.24500	0.7
589.20862	9.1
590.21277	1.5
621.23505	43.0
622.24023	8.5
635.25232	0.9
653.25653	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	651.2822
Annotation	Haplophytine
Peak:m/z	Relative Intensity
59.01374	5.2
60.99290	1.6
61.98547	1.1
61.98831	18.6
70.19600	2.5
70.20000	1.8
71.01351	3.7
72.00883	2.4
73.02924	1.4
74.02171	1.2
74.02478	13.2
78.95896	1.3
82.06589	1.6
85.02927	2.4
86.02457	1.7
88.98807	7.7
89.02427	4.3
95.02487	5.1
96.00304	1.9
96.00912	25.7
98.02472	5.7
98.20016	1.5
99.05641	6.4
101.02427	3.0
104.03520	8.6
111.00877	1.2
112.02798	1.1
113.02380	1.5
113.03573	20.7
115.83977	1.1
118.06561	1.2
125.02415	1.1
130.08684	1.6
140.07202	1.3
141.06693	2.8
141.10381	2.3
141.34286	1.2
143.11896	3.3
145.34488	1.3
146.06085	2.0
147.05942	1.8
153.10294	1.9
155.11868	3.4
167.08215	3.9
169.09810	3.1
171.10228	2.6
187.10812	2.3
189.07028	14.2
198.12480	1.8
199.08742	1.8
199.10713	1.3
200.07169	3.0
210.12526	1.6
214.12344	1.9
239.28691	1.3
242.11795	5.0
243.07664	1.7
273.16019	4.4
283.06161	1.3
285.15991	5.4
302.18552	1.7
303.11292	8.8
303.16949	1.4
327.21643	4.8
360.24762	1.3
414.16635	1.4
431.19437	5.4
444.17819	1.5
461.20245	4.9
555.17456	1.2
562.94562	1.1
564.25165	3.2
597.13495	1.3
621.27014	16.1
622.27228	2.0
633.27496	3.1
634.25385	1.7
651.28046	100.0
652.28516	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	651.2459
Annotation	Acetylpringleine
Peak:m/z	Relative Intensity
52.57664	0.6
59.01369	1.1
61.98827	3.0
64.69588	0.5
70.61641	0.6
71.01361	1.0
71.02717	1.2
78.95884	0.6
93.03483	1.0
99.92511	0.6
122.06104	0.9
137.02417	1.7
141.22249	0.6
174.91022	0.6
415.14392	1.1
435.18369	0.7
449.19962	0.9
461.15872	1.2
489.15405	10.2
490.16269	2.8
491.17224	9.2
492.17288	1.6
503.17148	2.9
504.17926	1.9
505.18848	5.4
531.17487	0.8
545.18427	2.9
549.17957	1.6
591.22406	18.8
592.22705	2.9
619.21655	2.3
651.24561	100.0
652.24841	19.8
653.59894	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.1
57.03435	1.3
58.00588	1.7
59.01377	35.9
61.27766	0.3
61.98817	1.3
68.99800	0.4
69.03443	1.4
71.01380	33.6
72.01727	0.6
72.99310	2.9
73.02945	5.8
75.00869	0.7
81.03459	2.0
83.01381	4.2
83.05032	0.5
85.02454	0.5
85.02951	7.9
87.00877	8.1
87.04504	0.4
89.02443	31.8
91.04016	0.5
95.01389	1.7
97.02943	5.0
99.00861	2.2
99.04511	0.5
101.02438	29.0
102.02783	0.5
109.02917	0.5
111.00853	0.5
111.04504	0.8
113.02449	14.7
114.02746	0.5
115.03996	0.6
119.03498	9.1
121.02928	0.6
124.01637	0.4
125.02440	12.3
125.32856	0.3
127.04025	0.4
131.03474	1.5
133.05072	1.2
136.20461	0.3
138.14838	0.3
139.04015	0.9
141.01897	0.7
143.03496	5.6
149.02437	0.3
149.04565	1.1
161.04556	7.9
162.04932	0.5
167.03484	0.6
169.04951	0.6
179.05623	5.7
185.04573	0.5
199.06062	0.5
217.07124	1.1
219.05043	0.5
221.06647	1.9
233.19069	1.5
235.08206	12.6
245.06615	1.1
251.20140	100.0
252.20497	7.8
253.09322	4.2
259.08066	0.3
263.07739	1.6
265.21451	0.5
277.09357	0.6
285.78809	0.5
287.07721	3.4
305.08734	3.3
323.09677	1.4
342.65884	0.3
361.11127	0.4
379.12537	0.9
397.13477	67.6
398.13745	4.9
406.86560	0.4
415.14536	32.0
416.14859	1.4
549.24780	0.4
613.38794	0.4
617.14221	0.4
649.33313	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
57.03438	1.2
58.00588	1.4
59.01380	37.0
60.80663	0.6
61.98821	1.4
66.68330	0.5
69.03451	1.8
71.01385	33.7
71.10757	0.8
71.11079	0.8
72.99294	2.8
73.02946	5.2
75.00872	0.8
75.61805	0.5
78.95889	0.6
80.23753	0.5
81.03448	1.6
83.01376	3.7
83.05035	1.0
85.02947	7.2
87.00879	8.9
89.02446	31.3
90.02710	0.8
95.01383	2.9
96.95973	0.6
97.02967	6.1
99.00882	2.3
99.04525	0.6
101.02440	27.6
102.02721	0.6
103.03959	0.7
106.95264	0.6
111.00899	0.9
111.04517	1.0
113.01716	1.1
113.02452	14.1
119.03517	10.6
125.02448	11.2
126.43085	0.6
127.03920	0.6
131.03484	1.4
133.05063	1.0
141.01947	0.7
143.03531	5.2
145.63194	0.6
149.04549	1.1
158.72774	0.6
161.04543	7.3
167.03580	0.6
179.05635	6.2
185.04555	0.8
217.07195	0.6
221.06700	1.8
233.19110	1.1
235.08228	13.1
245.06700	0.7
251.20152	100.0
252.20444	7.7
253.09280	4.9
263.07718	0.9
287.07809	3.6
305.08826	3.0
323.09860	2.0
379.12466	1.0
397.13510	65.0
398.13782	6.0
415.14566	29.0
416.14996	1.5
648.98230	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00901	3.5
59.01384	15.3
61.98832	6.9
71.01378	12.9
77.91077	3.2
85.02948	8.4
85.80588	3.2
89.02469	3.8
101.02422	8.6
113.02409	5.4
133.02943	5.0
138.29477	3.6
161.02513	4.5
170.11682	4.0
204.60263	3.7
230.44048	3.5
451.30457	6.0
451.55533	3.4
477.94095	4.1
481.27176	3.6
487.32275	4.4
613.35852	100.0
614.36163	15.3
620.97443	3.7
649.33197	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.9
57.03428	2.4
59.01377	6.9
61.98813	2.3
65.51447	0.6
71.01385	5.6
71.05006	1.4
72.01712	0.6
73.02934	1.2
76.52103	0.6
83.04998	1.1
85.02937	1.9
87.00854	0.9
89.02441	4.3
95.04071	0.6
95.05031	0.8
97.02919	2.2
97.03485	0.6
97.06586	7.9
99.00272	0.8
99.00888	12.3
101.02440	5.0
107.38410	0.6
113.02416	2.5
119.03469	1.3
123.08160	3.7
125.09721	49.1
126.10044	1.6
148.34235	0.6
161.04541	1.2
163.11273	4.1
175.46875	0.6
181.12331	8.6
182.12762	0.8
185.50391	0.7
187.09750	34.4
188.10040	1.4
199.13403	7.1
207.08380	1.0
207.10265	15.8
208.10489	0.7
223.13846	0.6
225.11308	26.3
226.11609	1.0
235.08107	0.7
243.12343	19.5
244.12587	1.0
253.09253	1.3
317.15976	0.7
324.93570	0.6
423.18741	6.4
461.20016	1.3
479.21307	4.2
480.21185	0.6
487.25348	1.1
518.19354	0.7
631.29559	0.8
648.36896	0.8
649.30554	100.0
650.30981	16.3
674.01318	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.1
57.03439	2.2
58.00585	0.8
59.01109	1.1
59.01379	16.6
61.98825	5.4
71.01384	19.9
71.52464	0.7
72.99314	3.9
73.02942	2.7
75.00870	8.7
83.01388	1.7
85.02951	13.9
85.03461	1.0
87.00889	4.0
89.02467	6.1
93.03448	1.0
95.01385	3.6
96.96001	1.6
99.00889	6.9
99.09978	0.7
101.02459	6.0
102.28011	0.7
103.00390	1.3
111.00835	0.8
113.02457	13.2
115.00369	1.5
119.03494	1.9
123.72738	0.7
129.02002	0.8
143.03471	0.8
143.04623	1.4
157.01422	1.0
166.27641	0.7
173.04605	0.9
175.02460	1.6
177.03319	1.0
191.05611	1.7
219.13829	1.1
221.15532	1.6
221.78185	0.7
233.32335	0.6
237.14946	4.4
239.28261	0.7
249.06036	3.8
262.12048	0.6
272.08893	0.8
306.07593	1.4
307.08115	1.3
399.20197	20.1
400.20441	1.9
525.67755	0.8
631.26080	1.9
649.27081	100.0
650.27362	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.7
57.03452	3.8
58.00588	2.7
58.65058	0.7
59.01379	74.8
71.01380	60.0
72.01713	0.9
72.99304	3.0
73.02950	10.2
75.00867	1.0
83.01381	6.4
85.02949	19.3
87.00869	3.0
89.02441	35.6
90.02779	0.8
95.01411	4.3
99.00881	4.2
101.02444	32.6
106.45396	0.7
111.00864	1.6
113.02449	19.2
119.03510	16.9
119.25452	0.7
125.02369	1.0
129.01938	2.2
131.03467	1.7
143.03506	3.9
148.47542	0.9
149.04575	1.5
159.03061	1.4
161.04549	8.9
168.29323	0.8
179.05611	7.3
202.29810	0.7
232.96754	0.8
249.30855	0.9
308.09570	0.8
320.53409	0.8
331.20300	0.8
347.69778	0.8
467.29813	1.0
469.67804	0.9
485.31152	25.7
486.31622	2.2
493.77081	1.0
647.36469	100.0
648.36621	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	647.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41174	0.4
55.01889	1.6
57.03444	1.2
58.00342	0.3
58.00594	2.0
59.01378	54.0
67.01889	0.5
68.99828	0.7
69.03445	2.5
71.01380	40.5
72.99320	2.6
73.02940	8.0
75.00892	0.8
81.03448	2.2
83.01388	6.2
83.05022	1.2
85.02950	9.8
87.00870	9.7
87.04494	0.5
89.02443	36.1
91.04013	0.9
93.03430	0.4
95.01383	3.1
97.02939	6.8
99.00874	2.2
99.04538	0.4
101.02438	35.7
102.02821	0.5
109.02974	0.9
111.04516	1.1
113.02448	19.0
114.02784	0.6
115.04029	1.0
119.03496	11.1
121.02957	0.4
123.00884	0.6
125.01517	0.8
125.02438	14.2
126.02760	0.4
127.04055	0.5
129.01941	0.6
131.03491	2.2
133.05081	1.2
139.04012	0.5
141.01881	0.8
143.03503	6.2
145.05081	0.6
149.04515	1.1
157.05025	0.4
161.04556	9.7
164.09367	0.4
165.45604	0.3
167.03542	1.1
169.05092	0.6
177.16495	0.4
179.05608	7.1
185.04601	0.7
199.06137	0.8
205.19582	1.3
217.07257	1.0
219.05055	0.5
221.06712	2.2
231.17531	1.2
235.05788	0.8
235.08206	16.7
236.08549	0.5
245.06667	0.7
247.17030	0.6
249.18573	100.0
250.18904	6.1
253.09271	7.5
263.07559	1.8
267.05533	0.4
277.09210	1.0
287.07657	3.2
305.08719	2.5
323.09860	1.9
361.11377	0.8
365.32425	0.4
379.12302	1.1
397.13480	80.1
398.13788	6.0
415.14548	34.1
415.18787	0.6
416.14801	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	647.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85793	0.4
55.01870	2.2
57.03449	1.4
58.00589	2.4
59.01377	53.3
60.55643	0.3
61.98858	0.7
67.01884	0.6
68.99840	1.0
69.03457	2.4
71.01378	42.4
72.99300	2.9
73.02943	7.9
75.00847	0.5
81.03438	1.8
83.01382	6.4
83.05039	0.4
85.02950	10.6
86.00129	0.4
87.00874	10.2
87.01373	0.6
89.02441	37.7
90.02781	0.5
91.04007	1.2
93.03463	0.8
95.01378	3.6
95.05044	0.5
97.02940	6.2
99.00881	2.8
99.04491	0.4
101.02440	37.8
109.02956	0.5
111.00835	0.6
111.04539	1.0
112.01613	0.4
112.34582	0.4
113.02448	18.5
114.02773	0.5
115.04010	0.6
119.03500	12.6
119.04333	0.7
123.00892	0.4
125.02441	15.2
129.01947	0.4
131.03508	1.8
133.05070	1.4
137.02473	0.6
139.03973	0.9
141.01956	0.6
143.03491	7.0
149.04550	0.9
157.04973	0.4
161.04543	10.7
167.03516	0.8
169.05048	0.8
171.02991	0.4
177.16429	0.5
179.05602	7.8
185.04535	0.8
199.06212	0.5
203.05521	0.7
205.19635	1.2
217.07259	0.7
221.06711	2.2
231.17557	1.3
235.08209	17.1
236.08467	0.4
245.06758	0.9
247.17061	0.5
249.18571	100.0
250.18921	6.3
253.09242	7.9
263.07642	1.7
263.20117	0.5
277.09329	1.1
287.07727	3.3
305.08823	3.4
323.09766	2.2
361.11328	0.6
373.22839	0.4
379.12457	1.5
392.13025	0.4
397.13467	84.7
398.13782	6.4
415.14542	37.3
416.14880	2.6
467.30478	0.5
538.03949	0.4
647.32941	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	43.4
61.98823	13.5
69.98675	5.1
71.01389	42.4
71.54229	7.6
72.99297	5.0
73.02951	10.7
78.95901	7.8
83.01390	7.0
85.02950	16.5
87.00874	7.6
89.02444	13.7
93.03456	11.3
96.95983	10.3
97.02982	5.7
101.02429	40.5
113.02464	22.8
119.03488	8.4
125.02448	12.1
143.03476	16.6
161.04572	49.3
173.04594	7.6
179.05611	5.5
191.05748	5.2
249.18584	57.1
253.09306	8.3
254.66463	5.5
274.23178	4.7
397.13431	38.1
415.14746	14.0
467.30130	100.0
468.30554	13.6
647.32239	20.6
676.22791	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	647.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07835	0.3
58.02713	0.4
58.02980	7.4
59.01379	1.5
61.98817	1.3
69.50187	2.3
70.39159	0.3
71.01383	1.3
74.02477	15.6
83.01408	0.3
85.02946	0.5
85.04069	0.3
86.90545	0.3
87.05640	0.8
89.02457	0.5
90.00198	0.8
94.59987	0.3
97.04064	1.3
99.05646	10.9
100.05988	0.3
101.02473	0.5
108.62157	0.3
119.03505	0.4
131.04646	3.0
143.04625	40.5
144.04938	0.8
160.00797	0.6
177.03395	100.0
178.03743	2.3
215.36635	0.3
253.62796	0.4
328.99924	0.4
357.05954	0.3
441.21301	1.3
630.42407	0.3
647.29724	3.9
648.30634	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.6
57.03436	5.6
57.74723	1.2
58.00587	1.6
59.01379	47.2
59.16484	1.1
61.98837	11.5
69.03457	2.9
71.01380	46.5
71.05012	1.4
71.54181	1.2
72.99309	3.0
73.02945	7.5
80.72586	1.3
83.01404	7.3
83.01839	1.2
85.02953	18.3
87.00872	4.2
89.02443	24.2
89.02937	1.9
89.91667	1.5
95.01400	2.8
95.05035	2.1
96.96031	1.6
97.02945	2.1
97.06586	11.2
99.00882	4.6
101.02447	29.8
101.54375	1.2
113.02461	13.8
119.03516	13.2
123.08167	6.9
125.09723	66.5
126.10103	1.2
129.01973	1.6
143.03506	1.6
151.11270	2.0
153.12852	1.3
160.01622	1.8
161.04599	6.7
161.09727	1.9
169.08708	2.0
179.05612	4.5
179.10739	4.6
185.11755	1.5
187.09744	29.7
197.11812	49.8
198.12140	3.4
241.10800	4.1
249.14879	3.1
253.09241	3.0
289.32114	1.4
338.09747	2.0
397.13635	1.4
415.14194	2.5
423.18744	3.0
477.20151	1.8
485.24344	2.7
485.31012	16.3
603.30243	4.1
629.28424	2.0
647.29022	100.0
647.37030	44.0
648.28082	14.6
648.37506	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	645.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.6
57.03434	3.0
58.00589	3.4
59.01380	95.2
61.98836	8.4
64.85919	1.1
71.01383	74.3
72.99304	5.1
73.02944	11.5
83.01400	6.3
85.02950	24.4
86.00088	2.1
87.00886	8.8
89.02444	59.0
90.02771	1.2
90.26526	1.3
95.01387	5.5
97.02971	1.2
97.99827	1.2
98.23102	1.3
99.00880	3.6
101.02444	52.2
111.00861	2.2
113.02455	32.3
119.03506	30.0
130.16159	1.2
131.03494	8.2
138.53366	1.3
143.03564	5.7
149.04530	2.7
159.02948	1.8
161.04541	12.3
179.05554	9.7
221.06609	8.9
241.91505	1.3
465.28436	17.6
466.29059	2.1
483.29633	14.8
523.81866	1.3
627.33820	8.0
645.34930	100.0
646.35413	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	645.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.0
57.03450	4.1
58.00578	3.2
59.01377	78.6
66.19999	0.8
67.56359	0.8
71.01379	53.0
72.99288	2.5
73.02946	6.1
83.01376	4.7
85.02956	14.6
85.58691	0.8
87.00873	2.2
89.02441	38.2
95.01389	5.1
98.36497	0.9
99.00893	1.0
101.02438	25.4
102.81686	0.8
111.00862	2.1
113.02448	16.9
119.03496	19.0
125.02404	1.0
129.01909	2.6
131.03499	1.0
143.03488	3.4
149.04504	0.9
159.02983	1.0
160.10448	0.8
161.04535	5.3
179.05643	6.8
229.03798	1.1
314.45474	0.8
483.29599	22.5
484.29889	2.9
645.34857	100.0
646.35303	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3488
Annotation	Cussoside B
Peak:m/z	Relative Intensity
55.01875	3.3
56.63698	0.6
57.03456	3.7
58.00586	2.6
59.01379	88.4
69.03445	0.8
69.50511	0.5
71.01381	58.6
72.99303	4.1
73.02955	6.1
83.01377	6.0
85.02953	15.6
87.00876	2.8
89.02446	49.4
90.02794	0.8
95.01402	4.9
97.02986	1.1
98.20665	1.4
99.00887	2.4
101.02447	34.5
111.00879	1.7
113.02452	22.3
116.07176	0.6
119.03502	23.8
120.04020	0.6
125.02467	0.8
129.01942	2.5
131.03505	1.9
143.03506	3.6
149.04564	2.4
159.03040	1.4
161.04535	6.9
163.06140	0.7
179.05634	7.0
465.28415	1.0
483.29611	16.2
484.29880	1.7
493.42136	0.7
567.19635	0.7
645.34900	100.0
646.35272	17.0
662.91638	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3488
Annotation	Cussoside B
Peak:m/z	Relative Intensity
50.63370	1.0
55.01873	4.2
56.19336	1.0
57.03449	6.4
58.00597	3.1
59.01381	42.9
61.12622	1.0
69.03461	1.1
71.01380	59.1
71.04989	1.3
72.99285	2.6
73.02942	15.2
75.00877	1.6
81.03460	3.0
83.01395	10.2
84.02165	1.7
85.02948	30.9
87.00878	3.2
87.04514	2.8
89.02451	20.0
89.79986	1.0
95.01398	5.4
97.02940	2.1
99.00877	7.6
99.04530	2.9
101.02444	38.2
111.00843	1.1
113.02455	24.7
119.03509	8.5
125.02455	2.7
129.01930	4.5
131.03539	1.4
140.90038	1.0
143.03525	2.6
159.02939	2.8
161.04556	15.6
168.52281	1.1
179.05560	2.5
189.30595	1.1
229.36961	1.0
235.08174	2.2
303.23343	1.5
381.26501	1.4
425.25555	3.0
465.28641	5.5
483.29581	24.4
484.29767	2.7
619.17499	1.2
645.34930	100.0
646.35236	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	645.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.0
57.03429	2.8
58.00579	2.5
59.01376	70.5
67.81720	0.8
71.01379	53.8
72.99292	3.4
73.02934	7.6
83.01379	5.8
85.02946	17.2
87.00857	1.9
89.02441	40.1
95.01374	4.6
99.00844	3.2
101.02432	30.9
111.00865	1.4
113.01721	1.3
113.02451	18.9
119.03496	19.1
129.01895	3.2
131.03429	1.7
143.03510	1.9
149.04581	0.9
151.52647	0.7
155.01508	0.7
159.02876	1.0
161.04549	5.0
179.05589	6.3
186.33034	0.8
228.98055	1.1
413.02731	0.8
483.29575	12.4
484.30023	1.5
645.34869	100.0
646.35272	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	645.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68596	1.1
53.52557	0.9
55.01871	2.6
57.03439	1.7
58.00580	3.6
59.01380	100.0
65.59277	0.9
70.39820	1.2
70.40160	2.7
71.01382	60.5
72.99302	4.1
73.02944	2.9
83.01374	3.7
85.02952	14.5
87.00878	3.4
89.02448	53.9
95.01379	4.3
99.00881	1.4
101.01793	2.0
101.02441	29.7
103.43473	1.0
109.31558	1.0
113.02454	21.4
119.02657	1.7
119.03509	26.8
131.03500	2.9
143.03481	4.0
148.50325	0.9
149.04602	2.0
161.04562	6.5
162.53876	1.0
179.05638	9.9
287.81506	1.2
288.13321	1.1
465.28470	2.1
483.02094	1.0
483.29471	5.1
605.14282	1.1
645.34857	40.5
646.35156	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	644.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62173	1.0
59.01379	9.4
61.98832	1.9
69.03432	1.1
70.47105	3.5
71.01382	12.1
73.02953	3.4
75.91192	0.9
83.01401	2.5
85.02955	6.5
87.00881	6.8
89.02438	8.8
93.03465	1.6
97.02954	6.6
100.65381	1.0
101.02443	8.8
113.02451	4.9
115.04018	1.8
117.03472	26.4
119.05025	59.3
120.05380	2.5
121.02973	2.4
125.02471	2.1
131.03500	2.0
132.05803	2.5
133.06561	7.5
143.03510	7.9
145.02948	77.3
146.03334	2.2
148.64748	1.0
159.04482	1.1
161.04567	3.6
161.06075	16.8
162.06389	1.1
163.04004	100.0
164.04349	3.2
179.05600	4.2
185.06056	3.7
187.04010	6.0
201.05579	2.1
205.05043	35.4
206.05328	1.8
217.04929	1.9
221.06638	1.5
227.07187	2.7
229.05055	17.0
230.05252	1.2
247.06114	2.4
260.74875	1.0
265.07315	1.3
289.07132	10.5
307.08206	21.8
307.11688	1.3
325.09058	1.5
346.75742	1.0
379.63690	1.3
409.11292	4.0
427.12424	38.4
428.12711	3.6
487.14468	14.0
488.14926	1.4
543.29578	1.2
644.22180	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	643.37
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82503	1.2
58.00572	1.1
59.01381	29.1
61.98830	13.2
68.10677	1.0
69.03446	4.2
69.38463	2.6
69.38866	6.5
71.01389	8.6
73.02934	5.2
78.95898	1.1
81.03454	1.0
83.05013	3.3
85.02918	1.1
89.02422	1.9
95.05025	5.8
97.02932	2.0
99.99238	1.0
106.80559	1.0
113.02462	1.7
113.06094	4.7
115.04012	77.4
116.04346	1.5
119.08664	4.6
128.98680	1.1
133.02925	1.1
135.08231	1.6
137.09720	16.7
145.05066	16.0
157.05043	3.4
161.02422	1.8
169.29584	0.9
191.14439	3.2
209.15433	1.2
235.13370	3.0
253.14435	12.4
255.58183	1.1
271.15491	100.0
272.15881	5.8
272.18356	1.2
280.40579	1.0
291.33850	1.1
345.98169	1.3
448.19864	1.0
481.24530	1.9
643.26178	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	643.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93038	0.7
54.95914	0.8
57.03434	0.9
58.00594	2.4
58.93250	0.7
59.01380	9.7
61.98834	10.4
63.95531	0.7
69.03442	1.1
71.01383	3.0
71.54604	1.1
73.02972	1.8
78.95908	1.4
83.01353	0.8
83.05038	1.4
85.02951	1.4
89.02446	2.4
93.03442	0.9
96.96017	0.9
97.06583	5.1
101.02448	2.4
106.04215	1.0
109.06590	1.5
111.04496	0.8
111.08164	13.5
113.02402	1.1
113.06096	3.2
115.77006	0.7
119.03522	0.8
119.05031	1.2
121.06599	1.5
125.06097	0.8
127.07662	1.7
135.08138	4.1
137.06076	1.5
139.07674	5.1
139.08575	0.7
141.05562	3.8
155.07135	7.5
161.04697	1.0
173.13329	2.5
191.05583	2.0
191.14433	1.3
253.14418	1.9
271.15506	100.0
272.15790	7.4
275.33682	0.7
311.93079	0.8
554.71399	0.8
643.25891	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	643.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95757	0.6
55.01875	1.5
57.03443	0.9
58.00562	0.9
59.01377	17.9
61.98821	2.5
69.03450	2.1
71.01381	20.8
72.99299	1.6
73.02938	4.4
75.00861	1.1
80.86192	0.5
81.89738	0.6
83.01379	2.8
85.02946	8.5
87.00870	3.9
89.02442	6.9
95.01379	1.9
96.96043	0.8
97.02934	1.3
99.00858	1.7
101.02442	13.1
111.00855	1.3
113.02451	5.5
119.03477	2.2
124.71703	0.5
125.02468	1.6
127.03993	0.8
131.03479	2.5
141.01968	0.8
143.03426	0.6
161.04449	2.7
171.10271	0.6
179.05536	0.8
191.05600	1.6
196.47643	0.6
196.57526	0.5
197.11797	2.2
209.11775	2.2
221.06563	1.2
229.00465	0.7
240.75531	0.6
262.83496	0.5
291.36426	0.5
303.23328	4.0
321.08264	0.6
354.48694	0.6
371.56354	0.6
481.28012	2.4
643.33276	100.0
644.33569	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	643.3334
Annotation	Virescenoside R
Peak:m/z	Relative Intensity
51.05170	0.5
55.01870	2.0
57.03440	1.4
58.00569	0.8
59.01078	0.8
59.01377	14.7
61.98832	1.4
69.03455	1.3
69.44844	0.6
70.40566	0.6
71.01380	18.9
72.99300	1.3
73.02945	6.4
75.00869	1.3
78.95863	0.5
83.01392	2.9
83.37914	0.6
85.02952	9.1
87.00869	2.4
89.02445	4.9
91.19138	0.5
93.03474	1.1
95.01379	2.0
95.95099	0.6
97.02937	1.7
98.19856	1.1
99.00869	2.3
101.02438	13.6
113.02449	7.8
119.03464	1.7
121.42010	0.5
125.02439	1.4
131.03519	0.8
141.01917	0.7
143.03502	0.6
161.04544	2.3
164.33551	0.5
173.04507	1.2
190.96329	0.6
191.05611	1.0
197.11859	0.9
208.29193	0.6
221.06679	1.0
303.23212	5.1
319.22748	0.9
327.91678	0.6
339.09555	0.8
425.23749	1.0
425.51959	0.8
481.28339	1.3
625.32550	0.7
643.33313	100.0
644.33801	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	643.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.1
57.03450	1.5
58.00592	4.1
59.01380	100.0
60.01720	1.4
64.35586	0.7
71.01382	57.6
72.01733	0.9
72.99305	5.6
73.02943	4.6
83.01398	4.3
85.02954	15.5
87.00874	2.9
89.02445	62.2
95.01374	5.4
98.08511	0.7
99.00877	2.1
101.02443	38.0
102.02734	0.8
113.02450	24.3
119.03504	30.1
121.44806	1.0
129.01913	1.6
131.03493	3.0
141.01881	1.3
143.03513	3.7
149.04552	2.7
159.02995	2.0
161.04549	5.1
166.48541	0.8
179.05595	8.0
229.05458	0.9
463.26663	3.8
481.28021	25.7
482.28397	3.4
643.33289	94.6
644.24005	1.4
644.33813	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	643.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.7
56.72394	0.7
57.03441	3.6
58.00585	3.2
59.01379	100.0
71.01382	66.4
72.01730	1.1
72.99297	4.9
73.02951	5.3
75.00840	0.8
83.01379	5.1
84.65635	0.8
85.02950	17.8
87.00867	2.6
89.02447	56.2
90.02778	1.0
95.01384	5.6
99.00875	2.9
101.02444	42.3
109.08820	1.0
111.00854	1.7
112.88139	0.8
113.02449	26.4
119.03501	27.7
129.01930	2.9
131.03484	3.2
141.01976	1.2
143.03476	4.7
149.04587	2.0
159.03008	1.2
161.04565	5.9
179.05609	7.9
212.93951	0.9
251.28751	0.8
303.23474	1.0
380.76419	0.9
399.03082	0.9
463.26944	3.8
481.27951	20.4
482.28357	3.0
568.43054	0.9
643.33313	96.0
644.33685	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	643.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85940	0.7
55.01767	0.8
55.02012	1.2
57.03281	1.9
57.03596	2.7
58.00407	0.9
58.02842	1.0
58.03071	1.3
59.01186	7.6
59.01530	11.6
61.98628	1.9
61.98977	2.3
69.03609	1.6
69.17164	3.1
69.17600	4.2
71.01110	9.2
71.01559	19.0
71.04813	0.9
71.05162	1.6
72.99085	1.3
72.99432	1.6
73.02677	2.2
73.03130	4.1
74.02279	0.8
74.02632	1.4
78.52847	0.8
83.01594	2.3
85.02569	2.6
85.03148	8.7
87.01059	2.4
89.02041	2.2
89.02652	7.4
95.01579	1.9
95.05222	1.1
97.03162	2.6
97.06738	0.9
98.20652	1.8
99.00382	2.7
99.01108	9.5
99.05299	0.8
99.05825	1.7
101.01918	3.4
101.02666	13.2
113.01840	1.6
113.02688	9.0
119.03753	4.4
123.04646	0.7
123.42783	0.7
125.09957	2.1
137.09915	1.3
142.02922	1.3
143.03723	1.7
143.04878	5.9
161.04826	5.8
162.55261	0.7
163.06677	0.9
163.07925	2.6
163.11551	4.2
164.24139	0.7
177.02087	1.2
177.03668	4.9
179.05809	1.1
181.08733	3.9
181.12627	9.2
191.05916	2.3
199.13411	5.5
207.10260	13.2
208.10773	1.0
209.12088	1.3
225.11304	23.1
243.12354	15.5
261.19122	1.2
263.20178	0.9
279.19852	1.7
301.22028	1.2
303.23260	8.2
304.24078	1.0
319.22910	0.9
423.23914	4.3
453.28583	1.8
461.20505	2.7
463.26987	2.3
479.21295	13.5
480.21573	1.5
481.28052	100.0
482.28363	14.2
505.27988	1.0
643.29761	46.8
644.30096	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	643.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.2
57.47860	0.7
58.97629	0.7
59.01365	2.5
60.99302	4.1
61.98840	3.4
67.01891	14.7
69.03457	3.5
70.31869	2.1
70.32240	1.4
70.36074	0.6
71.01386	6.1
78.95916	0.9
81.03452	3.5
83.05032	3.1
85.02954	2.6
87.00879	13.9
93.03458	100.0
94.03783	3.0
99.00876	1.7
99.04534	1.0
107.08680	0.7
109.02944	1.6
109.43468	0.6
111.00928	0.7
111.04524	12.2
115.04082	0.9
127.03975	1.3
128.64095	0.8
129.01942	1.6
133.02988	1.7
134.03740	15.2
135.04536	25.7
137.02478	4.6
139.11316	0.9
144.28233	0.9
152.99579	1.0
155.03474	4.4
161.02449	1.8
173.04549	95.2
174.04897	3.0
178.02739	2.4
179.03494	2.7
185.76060	0.7
191.05611	29.3
192.05922	0.9
291.19617	15.3
292.20200	1.3
315.07440	0.7
407.22238	4.1
425.23346	7.4
451.21320	5.3
469.22128	1.4
473.08701	0.7
626.95441	0.8
643.27533	53.8
644.27972	9.7
647.10223	0.8
652.28265	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99225	1.6
59.01384	11.5
71.01377	13.4
73.02932	4.4
83.01342	1.6
84.22468	1.7
85.02947	8.2
89.02431	4.3
92.06368	1.4
95.01382	2.2
98.20754	2.8
101.02434	9.7
107.90599	1.9
113.02443	4.0
303.23129	7.6
401.52579	2.0
463.27130	3.8
481.28064	100.0
482.28506	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	643.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.6
59.79425	1.1
61.62039	1.0
61.98817	2.9
80.66794	1.1
96.36269	1.1
98.20280	7.9
108.01341	1.2
126.90370	1.5
138.88765	1.2
186.34763	1.5
290.04376	1.1
363.17075	1.2
416.31134	1.3
452.11224	1.8
467.14188	1.5
496.14020	5.0
508.17029	1.9
510.15521	7.4
511.16010	14.2
512.16431	2.1
538.15167	4.8
544.19476	3.8
567.18719	3.3
570.17688	1.6
571.17590	1.7
583.18402	3.7
643.20428	100.0
644.20789	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	1.2
66.53646	0.8
73.02921	1.1
78.95913	0.8
90.81979	0.6
149.39984	0.7
165.95232	0.9
168.16254	0.7
230.01634	1.0
277.39050	0.7
402.34796	0.7
452.10916	1.9
453.11975	1.0
457.14581	0.8
473.18069	0.9
479.16980	1.3
481.11304	1.3
481.18762	1.1
488.17102	0.9
493.15225	0.9
495.17093	0.9
496.13559	5.2
497.14441	2.8
507.16861	3.0
508.17490	5.1
509.17383	1.0
510.15182	5.3
511.15891	9.0
512.16565	2.1
513.18005	2.0
523.19690	3.2
525.18005	1.0
528.16718	1.0
538.14923	3.5
540.16083	1.3
544.16437	4.2
545.16602	1.0
553.17621	0.9
554.17108	0.7
560.15631	0.9
567.18909	1.5
570.17639	1.8
571.18140	5.5
572.18469	1.1
583.18628	1.6
585.54413	0.8
599.21301	0.8
643.20447	100.0
644.20679	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11726	0.4
54.93589	0.5
55.01865	0.7
56.57027	0.4
57.03442	0.9
59.01384	7.8
69.03447	0.5
70.50777	1.5
71.01382	4.9
71.05017	1.4
73.02946	0.8
83.01363	0.5
85.02951	1.5
87.00877	1.5
89.02447	4.7
89.57055	0.5
96.33928	0.4
97.02947	2.8
97.06573	1.4
99.00879	11.7
101.02454	5.2
109.06585	0.8
110.03719	0.9
113.02452	2.3
119.03501	1.4
125.02444	1.0
125.09708	5.1
127.11333	0.5
136.05348	0.4
142.02682	0.5
143.03476	0.8
163.11305	5.8
181.12337	13.5
182.12616	1.0
188.26570	0.4
199.13409	7.7
207.10258	21.6
208.10664	1.1
221.06709	1.3
225.11319	34.6
225.81624	0.5
226.11618	1.4
243.12384	24.5
244.12704	1.6
253.09270	0.5
415.14459	1.8
462.31012	0.5
641.26605	100.0
642.26898	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	641.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.8
59.01377	6.4
63.90246	0.4
71.01384	4.4
71.05017	1.5
73.02938	1.0
80.64181	0.4
83.01395	0.5
85.02931	1.0
87.00880	0.9
89.02448	3.1
97.02949	3.1
97.06566	1.5
99.00277	0.8
99.00887	11.5
101.02427	2.7
109.06583	0.7
113.02446	1.3
118.11890	0.4
119.03557	0.6
123.08182	0.6
125.09093	0.4
125.09738	3.7
132.66132	0.6
135.08197	0.5
142.02721	1.0
155.14395	0.8
163.11282	5.6
181.12332	11.1
182.12608	0.6
191.83861	0.5
197.11749	0.5
199.13345	7.2
207.10248	23.7
208.10579	1.6
221.06606	0.6
225.11302	31.8
226.11603	2.1
243.12334	21.7
244.12639	1.5
415.14600	0.9
461.20059	0.9
466.02914	0.5
641.26556	100.0
642.26953	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	641.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	12.6
61.98827	4.1
63.12888	0.8
64.77845	0.8
65.24023	0.8
70.74084	1.9
71.01080	0.8
71.01390	10.3
71.05007	1.0
73.02921	1.3
83.01369	1.1
83.05055	1.0
85.02956	2.3
87.00855	3.0
88.98801	1.1
89.02436	7.2
95.01382	1.1
96.96010	1.5
97.02947	3.4
99.00869	5.6
101.02445	7.7
109.02914	1.0
109.06580	1.0
113.02448	2.8
119.03469	3.1
125.02427	2.0
125.09727	3.0
127.11275	1.2
161.04532	1.0
163.11292	5.0
171.10252	4.0
173.04547	1.9
179.03410	0.9
181.12340	13.7
182.02472	0.8
191.05569	3.4
197.11792	2.9
199.13402	25.6
200.13760	1.7
207.10278	13.5
221.06689	1.6
225.11331	27.7
226.11618	1.0
243.12346	12.5
247.15620	4.0
397.13312	4.4
405.69925	0.9
415.14572	2.8
438.84863	1.1
517.36493	0.9
623.25616	7.2
624.26465	1.5
641.26544	100.0
642.26862	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	640.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
78.95921	2.4
79.72116	0.4
81.63270	0.5
152.99544	0.9
179.10797	1.0
197.11794	3.4
207.10406	0.7
219.73433	0.5
225.11398	1.0
229.06198	0.5
279.23340	3.9
315.14532	1.0
361.10425	0.8
577.37341	7.5
577.45587	0.6
578.37866	1.2
641.34296	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93140	0.2
53.44027	0.1
59.01381	2.7
61.98829	0.3
70.66448	0.5
71.01381	1.4
73.02950	0.4
78.95922	0.7
80.96531	0.4
83.05045	0.3
85.02940	0.2
87.00861	0.4
89.02440	1.5
90.41510	0.2
97.02928	0.2
97.06604	0.3
101.02462	1.3
113.02460	0.8
116.92874	0.2
119.03511	0.5
121.99289	0.2
125.09756	1.0
127.11293	2.0
141.38852	0.1
143.07114	0.3
153.09184	0.4
161.04517	0.5
171.10268	100.0
172.10614	3.8
179.05573	0.3
194.93713	0.3
205.19501	0.3
231.17552	0.4
235.08240	0.9
249.18581	41.9
250.18904	3.0
253.09294	4.3
255.23218	0.4
277.21707	0.2
282.98883	0.2
306.21194	0.2
315.26981	0.2
343.01068	0.6
366.00409	0.2
407.19193	1.0
448.25827	0.3
555.28528	0.8
557.28345	0.2
608.73267	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04670	0.2
57.44006	0.1
57.49114	0.2
59.01377	2.3
61.98819	0.3
64.43871	0.2
71.01390	1.4
71.54259	0.2
73.02950	0.3
78.95917	0.3
79.62357	0.2
83.01389	0.2
85.02953	0.4
87.00872	0.3
89.02438	1.1
97.06567	0.2
99.00880	0.2
101.02439	1.0
113.02448	0.8
119.03462	0.3
125.06091	0.7
125.09706	0.9
127.04127	0.2
127.11282	2.0
143.07147	1.1
153.09183	0.6
161.04565	0.7
171.10265	100.0
172.10620	3.8
179.05530	0.3
205.19600	0.4
229.90977	0.2
231.17509	0.3
235.08287	0.9
249.18576	45.2
250.18921	3.2
253.09285	4.8
277.21774	1.1
281.26300	0.2
294.76581	0.2
407.19141	1.0
408.48853	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25286	0.5
53.09632	0.5
57.03440	1.3
59.01378	14.2
62.49191	0.6
69.03455	2.7
69.16879	6.4
70.74264	0.6
71.05013	1.8
72.99322	0.7
73.02939	1.6
83.01428	0.9
83.05054	0.6
85.02954	1.9
87.00849	1.7
89.02448	6.9
95.01366	0.6
97.02933	1.4
99.00912	0.6
101.02444	6.1
113.02466	2.8
119.03487	2.1
119.45555	0.6
125.02421	1.0
125.09708	2.1
137.09692	0.8
151.11267	1.8
153.12816	1.5
161.09698	1.9
179.10738	4.6
180.86829	0.6
191.12308	0.6
197.11826	69.2
198.12170	2.5
204.85472	0.6
221.06702	0.6
223.09676	1.0
235.08437	0.7
241.10844	9.0
262.17786	0.6
364.70422	0.6
397.13663	1.6
415.14941	0.7
432.70374	0.7
621.23969	0.7
639.25012	100.0
640.25372	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	637.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	1.4
69.60619	5.9
78.95902	25.7
96.96945	1.2
116.34129	0.9
125.09713	1.1
127.11277	2.7
127.28024	0.8
152.99573	21.2
171.00613	4.3
171.10269	94.5
172.10599	4.1
200.93623	0.9
227.03256	1.2
255.23296	100.0
256.23615	7.7
307.09543	3.8
381.13184	3.2
399.14554	2.3
460.68921	1.0
465.26312	1.1
483.26862	1.3
637.37256	50.0
638.37555	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	638.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74970	0.5
59.01376	1.7
61.98832	100.0
71.10664	0.7
71.10974	0.5
78.95905	1.6
85.71458	0.4
103.97294	0.5
112.25725	0.4
152.99632	0.8
218.43143	0.4
277.21698	1.2
381.75006	0.5
395.15240	0.5
638.26630	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27493	0.6
53.98104	0.7
57.03451	0.8
59.01377	15.0
60.26267	0.7
64.66142	0.7
69.03470	3.6
69.39543	5.3
71.05003	1.8
72.99326	1.0
73.02948	2.0
82.98685	0.6
83.01400	1.7
85.02945	1.4
87.00856	1.6
89.02448	7.4
95.01385	1.1
97.02950	2.3
97.06565	1.0
99.00871	0.9
101.02439	7.7
111.58074	0.7
113.02430	3.0
119.03530	1.8
123.08161	0.7
125.02456	1.1
125.09686	1.8
138.84518	0.7
151.11259	1.0
153.12894	1.6
161.04538	0.9
161.09723	1.7
167.22972	0.7
179.10741	4.5
197.11824	54.5
198.12219	2.5
199.04085	0.8
216.04066	0.7
221.06598	1.4
223.09766	0.9
241.10829	6.4
243.02917	1.2
271.02426	1.8
299.02032	2.5
300.02750	0.8
308.43930	0.7
314.04318	2.7
315.04962	1.9
347.95367	0.8
378.49243	0.7
397.13632	1.1
415.14279	1.4
576.13263	0.7
621.24243	0.9
639.17029	3.7
639.25012	100.0
640.25525	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	637.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	4.7
71.53207	1.0
78.95905	100.0
80.91693	1.1
83.05007	0.9
87.34597	1.0
96.96969	8.6
122.07565	0.9
127.11310	1.4
134.98515	1.5
152.99588	50.9
165.12808	1.2
171.10237	3.2
201.11349	11.1
209.11818	20.6
210.12106	1.7
227.12860	3.1
255.23294	76.4
256.23572	4.3
337.10504	1.0
351.43372	0.9
363.12143	6.0
381.13223	6.2
391.22571	17.7
392.22964	1.4
401.14777	1.2
409.23453	7.1
515.10663	0.9
593.34686	4.1
619.36139	33.6
620.36810	3.3
637.37109	47.6
638.37225	8.1
656.42682	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.271
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
57.08787	0.6
58.00578	0.7
59.01377	18.3
61.98829	16.0
69.03444	0.6
69.11063	0.6
69.93562	0.7
71.01007	0.9
71.01380	12.5
71.54817	0.9
72.99298	1.9
73.02935	2.0
73.78714	0.6
75.00860	3.2
83.01376	1.7
85.02951	3.2
87.00866	2.5
89.02445	10.7
95.01371	0.8
97.02937	1.0
101.02448	9.3
101.98823	0.7
113.02455	3.8
119.03478	2.6
125.02432	1.8
143.03470	1.3
159.11774	1.0
161.04477	1.7
177.12827	6.3
179.05595	1.2
191.05602	1.0
195.13889	66.5
196.14240	3.2
221.06648	1.4
221.11739	1.1
235.08022	1.2
237.56746	0.7
239.12859	7.9
275.12112	0.6
397.13443	6.3
407.50980	0.7
415.14554	3.4
561.29443	0.8
637.27032	100.0
638.27362	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	636.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20836	1.0
53.99326	1.0
61.98831	100.0
71.53778	1.4
78.95918	3.4
91.82765	1.1
152.99525	3.0
171.10284	7.7
172.10596	1.9
177.62738	0.9
255.23274	1.3
388.32526	1.2
399.14288	2.5
400.14502	3.7
563.89551	1.2
636.35535	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	636.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
66.26771	0.6
69.18913	5.4
78.43761	0.5
78.95919	2.3
87.23834	0.6
97.82404	0.6
98.20673	1.0
105.54013	0.5
108.42773	0.7
122.13860	0.5
171.10309	2.0
190.59727	0.6
191.73521	0.6
234.41876	0.6
255.23361	2.5
256.47336	0.6
285.76215	0.6
397.80249	0.7
637.37225	1.5
642.90826	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60474	1.3
58.02977	10.1
59.01376	4.4
61.98816	1.6
70.02981	6.2
71.01382	4.3
71.54243	1.9
72.00910	3.2
76.26556	1.9
87.00863	1.3
89.02434	4.4
91.05536	3.9
96.96002	2.3
101.02457	1.5
113.02428	1.9
119.03512	1.6
128.03548	1.5
134.04747	1.3
145.09714	1.5
147.04521	22.3
154.07823	1.3
155.98380	1.7
164.05737	1.7
164.07159	58.7
191.05603	5.1
206.08217	100.0
207.08521	3.5
229.12941	4.1
234.24512	1.2
384.19617	1.4
636.29456	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	633.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19037	0.6
53.22095	0.8
55.01872	2.9
57.03424	1.8
58.00585	3.0
59.01380	77.7
60.01704	0.8
61.98830	5.1
66.23787	0.7
68.08145	0.7
71.01385	59.7
72.01721	1.0
72.99305	4.9
73.02956	5.7
75.89391	0.7
78.95869	0.9
82.67345	0.9
83.01379	4.9
85.02955	15.5
87.00865	2.8
89.02444	68.5
90.02784	1.2
95.01399	4.7
99.00863	1.9
101.02439	42.4
111.00860	1.5
113.02453	25.8
116.55605	0.8
119.03501	38.0
131.03499	3.6
141.01900	0.8
143.03496	5.3
149.04553	2.6
161.04494	5.8
170.35728	0.8
179.05603	11.7
261.67902	0.7
445.87851	0.8
453.31937	1.2
471.33353	5.3
566.84015	0.9
598.88416	0.8
633.38544	100.0
634.38892	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	635.251
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
59.01375	2.6
61.98830	16.9
71.53571	0.9
78.95913	9.8
96.96953	1.2
100.95147	0.7
138.38474	0.8
152.99577	6.3
213.15024	0.8
255.23396	4.5
277.21790	1.3
298.89169	0.9
375.20145	1.3
391.22556	1.2
399.14053	1.0
409.23563	1.4
419.18839	1.8
430.14050	1.3
431.18796	3.7
433.19928	1.3
445.16306	3.9
446.21729	0.9
458.17188	2.2
459.18738	1.3
459.95233	0.9
471.78323	0.8
473.15604	2.6
473.20313	2.9
474.16437	6.6
475.17667	2.9
476.18234	1.3
488.18433	6.1
489.19162	4.2
490.20654	5.1
501.19055	1.2
502.20407	1.0
505.22583	3.3
516.17932	2.0
529.19025	1.2
549.21466	3.1
550.21741	1.2
559.23383	1.2
575.22980	16.6
576.23730	9.0
603.22443	2.8
619.56702	0.9
635.25134	100.0
635.40881	5.2
636.25311	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	633.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.9
56.42459	0.9
57.03439	2.3
57.20572	1.1
58.00593	5.4
59.01380	92.7
61.98830	9.4
69.18538	1.0
69.18858	9.8
71.01382	70.5
72.99312	6.8
73.02956	4.6
75.00882	1.5
78.95899	1.6
83.01396	4.5
84.02158	0.9
85.02943	18.0
87.00873	5.2
88.98775	2.1
89.02448	78.3
90.19435	0.9
93.03471	1.1
95.01395	5.7
99.00871	2.7
101.02449	48.8
102.02748	1.4
111.00876	2.0
113.02452	30.1
113.76819	1.0
119.02650	2.1
119.03502	36.7
129.01936	1.5
131.03493	3.5
139.77011	0.9
143.02487	1.5
143.03464	7.2
144.78833	1.1
145.51294	0.9
149.04564	2.5
161.04518	6.5
179.05603	15.8
191.05586	1.9
453.32327	1.5
465.52823	1.1
471.33246	4.0
633.38556	100.0
634.38989	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	631.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70465	0.5
55.01877	3.7
57.03448	3.8
58.00587	0.8
59.01379	23.2
61.73210	0.4
68.99792	0.7
69.03444	0.5
71.01382	35.2
72.99291	1.2
73.02942	10.9
81.70294	0.4
83.01392	6.5
83.01845	0.9
85.02955	20.3
85.03470	1.1
85.11653	0.4
87.00870	1.4
89.02450	7.2
95.01378	3.2
97.02929	1.3
99.00866	5.2
100.87231	0.5
101.02445	23.1
111.00871	3.2
113.02451	13.2
119.03475	2.6
125.02407	0.8
129.01952	3.5
141.01950	0.5
143.03496	0.5
149.04604	0.7
159.02985	2.4
161.04576	5.8
166.33348	0.4
179.05519	0.7
202.22537	0.5
221.31636	0.4
244.02336	0.5
469.31677	23.3
470.32031	2.8
631.36926	100.0
632.37262	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3542
Annotation	Adociasulfate 9
Peak:m/z	Relative Intensity
55.01870	4.0
57.03441	3.5
58.00581	2.5
59.01380	44.4
61.98818	4.2
71.01381	54.8
71.52151	1.7
72.99305	3.8
73.02948	10.6
73.44794	0.8
77.91103	1.0
83.01386	7.1
84.02131	1.1
85.02951	22.3
87.00859	2.6
89.02445	28.0
93.88274	0.9
95.01408	5.3
96.96008	1.3
97.02986	1.2
98.20234	1.3
99.00885	5.3
101.02440	40.7
111.00864	2.2
113.02461	21.8
113.03253	1.3
119.03503	12.7
125.02427	0.9
129.01932	3.1
131.03511	1.0
142.62895	0.9
143.03520	2.3
159.02946	2.1
161.04564	12.7
171.10321	1.2
179.05630	5.0
181.35541	1.0
181.80464	1.0
420.83316	1.0
460.63568	1.0
467.30124	26.8
468.30411	2.9
629.35376	100.0
630.35675	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	629.3541
Annotation	Adociasulfate 9
Peak:m/z	Relative Intensity
55.01879	3.0
57.03440	2.8
58.00574	2.4
59.01380	56.3
61.98837	4.4
71.01379	53.8
72.01731	0.6
72.99303	4.3
73.02946	10.5
75.00870	0.8
78.95885	1.0
79.11575	0.5
83.01392	6.8
85.02952	22.5
85.03468	1.1
86.03305	0.7
87.00863	3.3
89.02444	31.3
95.01384	3.5
96.95987	0.7
97.02924	1.2
99.00887	4.7
99.08212	0.5
101.02443	33.0
103.03979	1.3
111.00904	2.9
113.02453	18.2
119.03510	15.3
125.02454	0.8
129.01962	3.8
131.03465	1.3
143.03488	2.7
149.04576	0.9
159.02969	1.7
161.04556	7.0
163.06145	1.5
179.05606	3.6
205.07188	0.5
338.22208	0.5
448.11566	0.6
467.30109	17.4
468.30392	1.8
483.29608	1.4
486.08517	0.6
602.00537	0.5
629.35468	100.0
630.35797	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	629.3538
Annotation	Adociasulfate 9
Peak:m/z	Relative Intensity
50.44246	0.4
55.01871	3.4
57.03449	3.6
58.00592	2.5
59.01380	60.0
59.18624	0.4
63.15937	0.3
66.28397	0.3
69.03455	0.5
71.01383	54.7
72.01736	0.6
72.99310	3.3
73.02941	10.1
75.00893	0.7
78.43353	0.4
83.01389	6.3
84.84766	0.3
85.02953	19.0
86.00085	0.5
87.00864	2.3
89.01853	0.7
89.02447	34.0
95.01391	4.5
98.20291	2.0
99.00887	5.4
101.02443	35.0
110.32931	0.3
111.00880	3.0
113.02451	20.7
114.02777	0.4
115.45430	0.4
119.03503	15.0
125.02455	0.8
129.01956	4.5
131.03497	1.2
141.01939	0.5
143.03490	2.4
149.04581	1.0
159.03064	1.8
161.04559	7.8
179.05615	3.4
203.32219	0.4
207.81154	0.4
246.09776	0.4
348.44565	0.4
429.13254	0.4
467.30112	18.7
468.30457	1.7
492.24805	0.4
616.34589	0.4
629.35388	100.0
630.35718	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	629.3152
Annotation	Gambogenic acid
Peak:m/z	Relative Intensity
56.64373	1.4
59.01381	4.1
61.98830	8.2
69.02617	1.4
70.02966	9.4
71.01385	16.6
71.13533	2.8
73.02980	1.7
82.02972	1.9
82.85010	1.3
85.02975	3.0
87.05650	5.6
88.04054	20.8
89.02450	3.4
93.03470	3.7
96.00909	24.6
96.96022	4.3
98.02484	8.2
101.02445	1.7
109.01706	3.6
112.00395	2.8
113.02499	2.5
113.03542	2.5
114.01972	6.7
115.00375	22.6
115.08757	4.6
119.05048	2.3
124.07691	2.9
125.07161	2.1
128.03513	2.6
129.10342	12.6
130.08748	10.3
132.03041	15.3
138.09248	4.3
139.08800	3.1
140.07104	2.8
141.06651	3.0
151.08749	3.0
152.07179	11.9
155.08296	7.9
163.04051	1.5
164.04605	2.7
166.08781	2.1
168.11444	5.9
169.09871	2.7
171.10297	5.3
173.04553	1.7
186.12468	47.5
191.05614	33.6
193.13522	9.6
195.07587	2.4
196.06064	2.1
201.12518	3.4
211.14540	22.8
218.41937	1.4
221.16615	2.7
225.11304	2.6
227.10468	1.8
228.17145	2.9
229.92683	1.4
239.15205	1.4
247.14575	4.1
264.17230	15.9
265.15588	5.8
282.18353	2.5
290.15216	3.4
300.24927	1.4
308.16144	19.5
308.19257	1.8
309.14432	17.2
310.14731	1.8
327.15512	1.8
337.09387	4.7
344.18225	2.2
380.18237	5.3
397.13519	2.0
406.16193	2.2
424.17215	7.0
437.39938	1.6
442.18491	1.9
450.19327	1.6
495.29803	6.9
496.27725	25.0
497.28503	2.0
513.30078	7.3
514.28729	20.4
611.30432	54.9
612.31012	5.4
629.31708	100.0
630.31635	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	628.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	8.1
61.98824	3.2
67.40923	1.0
69.03421	1.3
71.01382	11.0
71.53971	1.3
73.02953	1.9
77.52614	1.0
78.92476	0.9
79.23472	1.1
83.01399	1.8
85.02947	3.5
87.00893	4.9
89.02455	7.3
93.03475	1.7
96.96011	2.4
97.02960	4.1
101.02438	7.4
104.86063	0.9
113.02435	4.8
117.03464	30.8
119.03519	3.5
119.05025	52.9
120.05374	2.0
121.02927	1.6
122.21283	1.1
125.02422	1.6
131.03523	1.0
133.06580	3.2
143.03462	5.6
145.02954	100.0
146.03276	4.2
161.04567	3.4
161.06078	13.4
163.04010	90.1
164.04312	4.3
179.05597	4.3
185.06093	2.0
187.04030	6.3
191.05714	1.6
205.05049	27.2
206.05357	2.0
217.05103	1.5
221.06573	1.8
227.07063	1.6
229.05057	14.7
235.05984	1.2
235.08382	1.1
247.06114	1.9
271.05798	1.1
279.08936	1.3
289.07214	9.2
290.07550	1.6
306.70523	1.0
307.08224	14.5
310.68817	1.2
325.09164	2.0
358.24625	1.0
409.11435	2.9
427.12421	31.2
428.12784	1.9
438.96298	1.3
487.14481	13.5
488.14603	1.5
628.22284	9.1
629.22424	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.9
57.03447	2.1
58.00594	1.1
59.01378	21.5
63.43524	0.3
68.97910	0.3
69.03457	0.9
71.01381	16.7
72.01713	0.3
72.99301	1.3
73.02947	6.0
75.00874	1.2
83.01379	3.9
85.02947	10.1
86.00114	0.4
87.00868	1.7
87.04505	0.5
89.02440	3.6
95.01394	1.8
97.02942	1.0
99.00859	2.4
99.04549	0.4
101.02443	11.5
103.03986	1.0
107.43893	0.3
111.00863	2.5
113.02461	5.8
115.03970	0.4
119.03488	1.1
125.02422	0.4
129.01888	0.6
131.03461	0.4
141.01920	1.9
142.80330	0.4
143.03488	1.2
155.72444	0.3
159.02994	0.5
161.04530	0.9
252.44478	0.3
303.23273	7.9
304.23651	0.4
319.22775	1.9
463.27396	0.4
465.28180	0.5
481.28207	2.9
627.33856	100.0
628.34216	16.3
628.44800	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74618	0.2
55.01876	1.7
57.03447	1.1
58.00600	1.1
59.01381	17.5
61.98820	0.3
69.03456	1.0
70.93114	0.2
71.01381	16.9
72.99310	1.4
73.02946	7.5
75.00869	1.1
81.03423	0.3
83.01386	4.4
85.02953	10.8
86.00079	0.6
87.00874	1.7
87.04489	0.3
89.02451	4.3
95.01384	2.2
96.88314	0.2
97.02943	0.9
98.20744	0.5
99.00890	2.3
99.04494	0.3
100.00294	0.2
101.02443	12.3
103.03999	0.9
108.38883	0.2
111.00881	1.9
113.02449	5.8
115.04079	0.4
119.03470	0.7
125.02425	0.5
127.04021	0.3
131.03506	0.5
141.01962	1.4
143.03432	0.9
149.87895	0.2
154.04158	0.2
159.02945	0.5
161.04539	1.0
163.06071	0.5
171.10196	0.3
179.10687	0.5
197.11832	2.2
205.07176	0.4
211.13318	0.6
221.15446	0.3
236.10472	0.5
293.17398	0.3
301.21606	0.4
303.23276	6.4
304.23431	0.7
319.22647	0.9
329.23306	0.4
463.27112	0.3
481.28180	1.4
482.28345	0.3
531.85455	0.3
533.21948	0.5
577.20844	0.7
627.33813	100.0
628.34149	14.8
628.44879	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.4
57.03444	1.6
58.00600	0.5
59.01379	17.9
69.03447	0.9
71.01380	13.8
71.51122	0.3
72.99302	1.2
73.02943	5.5
75.00854	1.1
83.01383	4.0
85.02950	9.4
85.03467	0.6
86.00096	0.3
86.04700	0.3
87.00874	1.5
87.04548	0.3
89.02442	4.1
95.01363	1.7
97.02931	0.4
99.00892	1.7
99.04511	0.9
101.02439	10.7
103.03999	0.8
105.92049	0.3
105.97773	0.4
110.56175	0.3
111.00872	3.2
113.02449	5.3
115.04001	0.7
119.03526	0.7
129.01945	0.6
131.03491	0.6
141.01933	2.0
143.03497	1.0
161.04515	0.5
163.06158	0.4
192.18861	0.3
301.21594	0.5
303.23273	6.0
304.23657	0.5
319.22809	2.4
320.23117	0.4
362.47549	0.3
463.27133	0.7
481.27951	3.7
627.33820	100.0
628.34149	14.1
628.44836	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2095
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
53.06326	0.3
60.17818	0.4
62.91482	0.4
73.02928	0.7
98.20741	1.0
101.25891	0.4
101.85076	0.4
149.41161	0.4
152.99454	0.4
166.47795	0.3
176.82414	0.4
202.54694	0.4
202.79871	0.4
218.54814	0.3
231.70308	0.4
314.74371	0.5
437.12134	0.8
438.13153	1.7
440.88516	0.4
451.13947	1.5
452.14844	4.0
453.15143	0.8
466.17001	0.7
469.03839	0.4
480.14200	1.3
481.14899	9.1
482.15414	2.3
484.13959	0.7
493.15408	1.6
494.15866	1.2
495.16739	17.8
496.17142	3.5
507.17001	0.7
508.18103	2.2
509.18414	1.0
512.13934	0.8
521.14764	1.2
523.15955	0.6
526.14526	1.0
533.18011	0.7
535.16449	1.9
536.16925	3.0
539.15497	0.9
540.17029	3.3
551.19360	43.9
552.19525	9.6
553.17340	0.8
554.17651	1.8
555.18317	1.6
567.18964	0.6
568.15918	1.0
572.15576	3.3
573.15527	0.8
583.21783	0.6
586.16986	1.8
595.18274	9.8
596.18286	1.8
627.20880	100.0
628.21161	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.2
58.00563	0.8
58.01101	0.7
59.01379	18.2
61.98831	69.5
62.98535	1.4
71.01383	12.2
71.52512	1.0
72.99295	1.5
73.02939	2.2
80.96511	2.1
83.01383	1.7
85.02956	4.1
87.00865	2.8
89.02449	10.1
93.03432	0.9
96.95999	1.1
97.02947	2.3
99.00884	1.1
101.02438	10.1
113.02448	4.7
119.03468	3.0
125.02436	2.7
143.03439	1.4
161.04485	1.8
161.08414	0.7
165.12854	9.6
179.05586	0.9
183.13896	71.7
184.14282	3.8
191.05598	1.6
205.11946	0.7
209.11827	0.9
221.06653	0.8
225.00650	1.1
227.12878	9.5
235.08199	2.1
271.02341	1.1
299.01962	1.3
300.02310	1.4
314.04218	0.8
397.13620	5.8
415.14255	2.7
607.26270	1.0
625.27008	100.0
626.17749	1.3
626.27399	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	625.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.0
55.91525	0.6
57.03452	1.1
57.38295	0.6
58.00583	1.1
59.01383	21.0
61.98835	10.2
64.39981	0.6
67.95420	0.6
69.03458	0.9
71.01388	17.0
72.62690	0.6
73.02960	1.7
75.03410	0.6
80.96556	0.9
83.01398	2.0
83.05014	1.0
85.02946	3.1
87.00877	2.6
89.02451	13.1
95.01398	1.0
97.02960	2.2
98.20662	1.4
101.02461	11.8
109.02972	0.8
111.08152	0.8
113.02478	5.4
119.03491	2.2
125.02477	3.3
143.03510	1.6
144.53110	0.7
161.04602	1.5
165.12860	8.8
179.05571	1.5
183.13902	63.9
184.14249	3.1
191.05682	0.9
191.41255	0.7
199.72313	0.6
209.11829	1.4
221.06723	1.3
227.12845	7.7
235.08142	1.3
271.02658	1.2
397.13370	7.0
415.14505	3.5
420.85559	0.7
607.25171	1.3
625.27081	100.0
626.27496	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	625.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04163	0.8
54.14354	0.8
57.03431	1.3
58.00587	1.2
59.01110	1.3
59.01383	17.3
61.98811	1.3
66.07856	0.9
71.01381	14.7
71.08542	0.9
71.08875	1.4
72.99299	1.6
73.02952	3.0
80.02672	1.3
81.03455	3.0
83.01382	1.8
83.05028	6.0
84.02156	1.2
85.02962	4.5
87.00866	3.2
88.98808	1.0
89.02444	14.2
93.03431	2.3
95.01400	1.0
97.02944	2.7
99.00866	2.1
101.02446	11.4
102.05606	1.7
111.04514	1.3
111.08163	4.6
113.02460	6.5
114.73265	0.9
119.03495	5.2
121.02973	1.3
125.02438	4.0
128.03548	7.5
129.10289	0.9
131.08284	1.7
135.08144	1.1
143.03519	1.8
153.06705	2.2
161.04538	3.2
163.11275	3.4
165.05591	0.8
165.12784	3.8
172.09682	1.1
173.04572	4.6
173.08163	7.6
177.01920	3.4
179.05560	2.4
184.14551	2.1
191.05605	2.5
191.10744	2.0
192.04315	3.9
192.70114	1.2
199.13403	1.9
207.06625	6.3
209.11821	100.0
210.12173	4.7
221.06688	1.2
227.12889	19.3
228.13356	1.9
235.08293	5.0
253.09270	1.1
255.02937	1.1
271.02518	2.0
300.02759	2.1
352.73151	1.0
397.13522	28.7
398.13879	2.2
403.14063	1.0
415.14505	20.2
436.15671	1.0
496.31375	2.0
625.14264	1.3
625.26660	2.9
625.35815	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	625.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
62.11968	1.7
65.56910	1.7
71.54288	2.6
77.69980	1.7
78.95932	2.3
133.30417	1.8
158.33191	2.3
177.25157	2.2
183.41917	1.9
197.39030	2.0
213.10315	6.3
259.54913	2.0
323.11154	2.0
433.12906	3.8
434.13391	2.2
447.14868	2.3
448.15573	10.1
449.16217	8.0
463.17810	21.5
464.18204	2.4
465.19519	1.9
477.19440	2.8
479.20898	15.6
491.17227	24.0
492.17508	5.1
506.19611	6.3
507.20264	3.5
523.19806	2.8
538.22253	25.3
539.22906	8.1
593.24316	9.1
625.26685	100.0
626.26917	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	625.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
71.54201	0.9
74.60893	0.7
76.29807	0.6
134.03781	0.9
134.06120	1.2
135.04532	1.5
170.19301	0.7
192.21748	0.7
213.10364	9.5
239.11835	1.1
299.13977	2.3
327.09866	1.1
328.10974	0.8
335.71796	0.7
341.11658	0.9
385.14444	1.0
398.14645	1.0
418.10547	1.2
419.10962	0.8
419.15836	1.0
420.16916	0.7
432.12317	2.4
433.12918	5.1
434.13593	2.2
435.18958	0.9
439.21268	1.4
447.14688	4.3
448.15421	10.7
449.16104	8.7
450.16669	1.0
463.17810	22.8
464.18311	4.0
465.19495	1.7
475.13953	1.0
476.14462	1.1
477.19736	4.4
478.19974	3.3
479.20844	16.3
480.21118	2.9
490.16452	1.5
491.17233	31.1
492.17474	4.9
505.18689	4.4
506.19333	8.0
507.20468	3.1
519.20325	1.2
520.21021	1.6
523.19733	3.6
525.25073	1.1
537.21423	1.0
538.13934	1.7
538.22192	34.3
539.22815	12.0
540.23627	0.8
552.23120	0.9
593.24115	10.5
625.26636	100.0
626.27045	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	625.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00338	1.1
70.87047	0.6
70.87379	0.7
72.64857	0.5
75.63446	0.5
77.18922	0.5
88.53858	0.5
90.14807	0.6
98.76076	0.5
103.97347	0.5
107.01409	2.0
108.02174	1.4
109.57903	0.5
111.80167	0.6
121.02951	1.2
135.00902	0.6
137.97116	0.6
148.01686	2.2
151.00383	6.8
163.00404	1.0
170.73425	0.5
173.34021	0.6
174.13660	0.5
178.99818	5.1
183.22949	0.5
199.04048	0.8
211.04085	0.7
226.02759	1.2
227.03392	2.4
243.02974	9.3
244.03448	1.0
254.02208	2.3
255.02982	25.7
256.03436	2.1
271.02475	55.2
272.02905	5.5
299.02127	2.8
300.02747	100.0
301.03400	19.4
302.03976	0.8
351.52002	0.5
382.75974	0.5
445.07578	0.8
446.78824	0.6
625.14075	61.3
626.14490	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	624.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.8
61.98832	100.0
62.22471	0.2
64.86311	0.2
71.01399	0.4
78.95911	0.2
80.96511	1.7
85.02975	0.4
89.02454	0.3
94.98110	0.7
98.20679	0.5
101.02464	0.4
110.73458	0.2
117.94022	0.2
129.54010	0.2
152.98495	0.2
164.98668	0.4
191.05659	0.8
211.65581	0.2
223.68581	0.2
225.00742	0.5
300.02795	0.3
325.58032	0.3
347.33890	0.2
350.63034	0.2
358.54950	0.2
461.18137	0.4
550.28870	0.3
624.24548	0.4
624.34583	0.6
625.25189	3.1
625.33716	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.1
61.98829	100.0
63.74156	0.2
66.63746	0.2
71.01387	0.3
71.52930	0.3
79.95720	0.2
80.96513	1.0
86.86347	0.2
89.02459	0.3
94.98097	0.2
108.15127	0.2
225.00761	0.2
245.13806	0.2
255.03198	0.2
386.13327	0.2
420.46497	0.2
445.08142	0.2
613.05884	0.2
625.25208	1.3
654.21149	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03815	0.4
53.58886	0.5
54.24347	0.5
55.01866	1.3
57.03438	2.3
58.00582	1.2
59.01109	0.9
59.01380	14.3
61.46691	0.4
61.98824	3.1
68.04646	0.5
71.01382	15.4
71.54211	0.7
72.99310	3.9
73.02946	4.9
75.00878	9.5
79.71207	0.5
83.01366	2.9
85.02948	17.6
87.00876	4.0
88.98793	1.2
89.02448	4.8
93.03456	0.8
94.98008	0.7
95.01372	2.6
95.05028	0.5
96.95996	0.6
97.02932	1.1
99.00881	7.4
101.02443	8.8
103.00355	1.2
111.00868	0.6
113.02451	14.2
115.00336	1.3
117.01927	1.8
119.03529	1.6
125.02391	0.6
129.01955	1.1
129.96086	0.5
157.01395	0.6
175.02469	1.6
191.05602	2.0
207.10258	2.2
211.13348	0.7
225.11295	9.3
249.06076	2.5
299.01880	0.9
314.04352	0.9
373.18655	11.7
374.18991	1.1
397.13519	0.9
415.14417	1.4
476.61920	0.5
605.24390	1.6
623.25519	100.0
624.25806	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	623.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
57.03439	1.5
58.00597	0.9
59.01380	15.7
60.99310	0.6
61.98835	6.9
69.03439	1.3
69.20837	1.4
69.21259	2.7
71.01381	16.2
71.05003	1.2
71.91105	0.4
72.99304	2.9
73.02938	3.9
75.00877	6.3
81.03446	0.7
83.01383	2.3
83.68713	0.4
85.02949	11.7
86.00099	0.6
87.00875	6.4
88.98799	2.7
89.02445	6.4
93.03456	0.5
95.01395	2.5
95.05081	0.5
96.95991	0.6
97.02953	5.8
97.06606	0.9
99.00268	0.7
99.00880	11.8
101.02438	8.3
103.00327	0.8
109.06574	1.1
110.03712	0.7
111.00863	0.7
111.04463	0.4
113.01710	0.8
113.02453	10.9
115.00384	0.6
116.92804	0.4
117.01932	1.1
119.03491	1.6
125.02451	2.8
125.09715	2.1
129.01910	0.5
130.61208	0.5
136.05325	0.5
142.02693	0.6
143.03462	1.2
149.52367	0.4
159.10242	0.4
161.04555	1.2
163.11284	4.1
173.04536	0.5
175.02451	1.4
179.05620	1.0
181.12335	7.6
182.12639	0.4
191.05602	2.0
199.13359	1.8
207.10254	24.3
208.10571	1.3
211.13327	0.9
219.05038	0.5
225.11319	40.2
226.11572	2.4
235.08121	1.2
243.12358	16.4
244.12663	1.1
249.06128	1.8
263.07666	1.2
267.07239	1.1
271.02563	0.8
287.07849	0.5
299.01981	1.7
305.08817	0.5
315.05209	0.5
317.16162	1.0
355.17499	0.7
373.18683	5.3
397.13538	4.2
398.13815	0.5
415.14590	2.1
605.24329	1.4
623.25513	100.0
624.17120	0.8
624.25806	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	623.1618
Annotation	Isorhamnetin-3-Glucoside-4'-Glucoside
Peak:m/z	Relative Intensity
57.13089	0.7
59.01375	3.6
61.98832	65.0
65.00314	0.9
71.01379	4.2
71.54260	0.8
72.99287	0.9
73.02939	1.1
80.96502	2.0
85.02930	1.8
87.00864	1.0
88.98785	1.6
89.02430	2.1
93.03455	0.9
97.02899	1.1
101.02397	1.1
108.02152	0.8
109.02929	2.0
119.03500	0.9
119.05003	0.9
121.02948	2.9
149.02460	0.8
151.00398	0.8
161.04465	0.9
165.01912	9.4
188.76236	0.8
189.33366	0.8
191.05614	1.5
193.01297	1.2
199.04010	1.6
215.03500	1.4
225.11192	0.9
227.03461	3.1
242.02174	1.0
243.02933	4.1
254.02061	1.3
255.02837	1.8
269.04486	2.6
270.01660	1.3
271.02478	52.1
272.02960	4.1
283.02353	1.0
285.03976	1.9
299.01968	83.8
300.02515	10.4
314.04321	70.0
315.05035	29.8
316.05676	1.7
367.78015	0.8
460.17715	1.7
623.16052	100.0
623.23499	4.8
623.37036	5.6
624.16504	13.8
624.25439	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.5
59.01384	6.5
61.98831	9.9
71.01378	6.7
71.05006	1.6
71.54498	1.1
72.98481	0.9
73.02935	1.7
83.05042	1.0
83.90990	0.7
85.02935	2.5
87.00865	2.3
89.02445	5.7
90.81744	0.8
95.05033	12.7
96.96008	1.2
97.02940	3.3
97.06593	36.6
99.00883	15.3
101.02460	5.1
103.00295	0.8
109.06567	1.5
113.02444	2.8
115.07648	4.9
119.03455	1.3
120.01221	0.9
125.09733	8.1
135.04503	0.7
141.05510	1.0
155.14328	1.1
159.06622	18.8
161.04567	1.1
163.11342	4.2
181.12364	9.5
187.09714	3.3
199.13423	8.9
201.11259	0.9
207.10266	20.6
225.11322	31.6
226.11658	1.6
243.12361	22.0
253.09302	2.1
260.90280	0.8
290.13193	0.8
395.15601	5.2
423.18365	0.8
444.27567	0.8
459.22055	2.4
461.20181	2.2
476.90436	0.9
479.21216	11.4
480.21426	0.9
603.26440	1.5
621.27551	100.0
622.27789	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	621.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	8.9
66.69506	6.0
66.86342	4.4
67.90949	5.0
68.99567	12.6
71.52932	6.0
78.95905	6.4
99.80215	4.8
100.74752	5.2
111.86160	6.3
112.98579	8.3
116.92876	8.9
169.01357	8.4
171.10193	6.3
177.40239	5.7
266.17538	5.1
277.21732	11.4
311.22162	5.7
443.18524	6.3
445.20709	6.2
451.37262	6.2
457.20370	6.1
458.21387	7.9
459.22110	12.2
471.18256	5.8
473.19403	7.7
474.21307	9.5
485.19937	10.0
486.20569	31.7
487.20624	6.0
488.18509	17.8
489.18741	65.1
490.19235	10.2
501.23004	100.0
502.23221	11.4
504.21750	8.2
516.17780	19.1
518.23297	34.0
527.21082	8.6
533.25635	58.0
534.25800	7.8
545.22015	81.9
546.21844	11.3
548.20551	81.3
549.21191	15.4
559.23535	10.0
561.21252	9.5
562.22223	24.0
577.24823	12.8
621.23395	70.0
621.44000	7.5
622.24554	9.6
629.58429	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	620.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
67.31731	1.0
70.92818	2.3
78.95931	1.3
110.57040	1.1
116.17853	1.1
123.93528	1.1
137.78870	1.0
145.16794	1.2
164.23076	1.3
341.29123	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	621.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
69.04641	1.8
70.51169	5.3
71.01360	2.0
77.58834	1.9
78.95911	2.5
99.93199	1.8
109.97928	2.0
117.30864	2.2
171.10121	2.1
222.18054	1.8
277.21719	4.5
309.20746	2.3
311.22272	21.6
401.17853	2.2
412.94650	1.9
415.19345	3.8
416.16626	2.1
431.19131	3.3
443.18460	9.3
444.19659	5.1
445.20728	14.7
446.21042	6.5
457.20203	7.5
458.21127	4.7
459.22635	14.5
460.22647	6.2
461.23386	7.0
461.29797	2.1
471.17465	9.6
473.23206	7.7
474.21274	21.6
475.21204	6.4
485.19531	12.7
486.20569	42.6
487.21091	7.1
488.18546	7.1
489.22784	22.6
490.19519	2.7
490.23737	2.7
499.21317	3.1
501.22998	100.0
502.23291	17.5
503.20700	3.5
512.18341	2.9
516.17780	13.9
517.18555	2.7
518.23071	15.1
527.20917	9.4
533.25903	29.2
534.25806	2.9
544.20764	6.1
545.21906	66.4
546.22437	11.3
548.20703	17.3
549.23944	2.2
559.23517	12.8
561.21429	3.7
562.22375	12.4
563.22388	2.9
577.24628	26.8
578.24756	4.0
621.23199	22.0
622.23407	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	620.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75915	0.2
55.01878	1.5
57.03443	1.1
58.00587	0.8
59.01374	7.8
61.98826	1.4
70.02979	1.5
71.01376	8.7
71.52472	0.3
72.00882	0.4
72.99298	0.7
73.02943	4.7
75.00875	0.3
81.03458	0.2
83.01379	3.0
83.05025	1.6
85.02950	6.1
86.00094	1.0
86.02465	2.3
87.00877	0.7
88.04037	0.3
89.02438	0.8
93.03471	0.2
94.06633	0.5
95.01389	0.7
96.08173	1.3
97.02933	0.4
98.02471	1.0
99.00869	1.6
101.02438	11.2
108.08210	0.6
109.01698	0.2
109.06571	0.2
109.61703	0.2
111.00897	1.9
112.07649	0.4
113.02451	3.9
121.05282	0.2
124.01604	0.2
124.07679	2.9
125.02388	0.4
125.08045	0.2
126.09248	0.5
129.01906	0.5
131.03458	0.2
136.07649	0.8
140.07135	0.4
142.26805	0.2
143.03542	0.2
154.08672	0.4
154.17493	0.2
159.02959	0.5
161.04561	0.8
172.09775	0.6
179.03165	0.2
211.20599	0.7
239.20166	0.3
241.21709	2.1
243.03871	0.2
269.21118	0.3
286.23898	1.3
287.22156	0.7
297.36905	0.2
312.25500	0.8
328.24872	1.4
330.26276	0.3
366.30093	1.1
396.31104	0.3
403.27036	0.8
414.32169	0.9
431.26343	2.3
448.29019	0.6
449.27567	2.2
472.29050	0.2
490.30005	0.9
528.35535	0.6
547.48657	0.2
558.36621	0.3
576.37366	2.3
602.35284	0.8
620.36462	100.0
621.36816	15.0
649.62378	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73562	0.3
55.01865	1.5
57.03452	0.9
59.01379	8.3
60.53231	0.3
61.98815	1.0
65.60395	0.4
70.02972	1.0
70.66237	1.0
70.66596	0.5
71.01009	0.6
71.01380	8.9
72.00885	0.6
72.99301	0.5
73.02941	4.8
75.00829	0.4
83.01398	3.4
83.05016	1.6
84.72990	0.3
85.02954	6.0
86.00102	0.9
86.02483	2.4
87.00873	0.9
89.02438	0.9
92.82235	0.4
95.01401	0.7
96.08183	1.2
97.14769	0.3
98.02473	0.7
98.19948	0.4
99.00885	2.4
99.01442	0.4
101.02444	10.7
111.00874	1.6
113.02451	3.3
119.94283	0.4
124.07662	2.6
125.02407	0.4
128.48857	0.4
129.01971	0.5
136.07678	0.6
140.07048	0.5
154.08757	0.4
159.02971	0.8
169.63866	0.4
185.13698	0.4
203.74399	0.4
239.20076	0.5
241.21732	2.3
286.23813	1.0
312.25394	0.8
328.24936	1.4
366.30011	1.0
370.80933	0.4
403.26721	1.2
414.32278	1.6
431.26245	2.2
449.27194	2.1
490.30380	1.1
528.35498	0.6
558.36890	0.5
576.37219	3.2
602.35388	0.5
620.36481	100.0
621.36829	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	619.2562
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
50.16724	0.4
50.77241	0.4
52.27139	0.3
61.78689	0.4
61.98833	4.4
68.99821	0.9
69.18003	3.5
78.95913	1.7
113.73206	0.4
152.99651	0.7
220.12448	0.4
255.23351	1.2
389.15347	1.1
401.13696	2.0
415.15723	3.1
416.16415	13.9
417.16891	2.0
429.17014	1.0
430.18063	2.6
431.18655	1.6
434.17755	0.5
444.15662	1.1
445.16400	0.8
458.17361	0.9
459.18240	100.0
460.18631	12.8
473.19824	15.6
474.20453	6.2
475.21201	0.6
485.16254	1.0
487.17538	0.8
499.17429	0.8
500.18604	0.7
501.19147	1.8
503.17441	3.0
504.17749	0.5
511.17871	0.7
517.18915	1.6
518.19574	46.4
519.19891	6.7
532.21149	8.1
533.21906	90.9
534.22174	13.6
543.20447	0.9
587.23090	7.7
588.22949	1.0
619.25586	69.2
620.25909	13.6
620.35071	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.4
57.03455	3.9
58.00583	1.4
59.01379	23.5
59.25170	0.7
69.45690	4.7
71.01379	46.7
72.99291	2.3
73.02942	13.6
83.01381	7.9
85.02944	24.1
86.12186	0.6
87.00874	3.5
89.02441	10.1
95.01385	4.4
97.02937	1.3
99.00889	6.8
101.02441	31.3
101.03109	1.6
111.00896	3.3
113.02448	16.0
119.03521	5.6
125.02402	1.1
129.01970	4.7
136.10966	0.9
143.03500	1.6
154.19615	0.7
157.08557	0.8
159.03012	4.0
161.04564	9.6
171.10202	1.4
209.11865	1.1
439.24979	1.0
455.30157	28.7
456.30582	2.9
617.35376	100.0
618.35767	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25243	1.5
50.53007	1.5
61.98585	1.5
61.98837	18.9
66.78104	1.4
69.22353	8.7
69.22785	6.4
75.78017	1.4
78.95888	4.4
139.24023	1.4
152.99586	3.8
181.64078	1.5
200.54698	1.7
312.40714	1.4
387.90903	1.9
389.15149	2.3
401.14078	3.1
415.15381	3.1
416.16348	11.4
430.17877	1.5
458.17572	1.8
459.18246	100.0
460.18689	11.1
473.19727	11.7
474.20462	4.5
501.19479	2.4
503.17432	3.1
518.19562	46.9
519.19678	4.0
532.21057	8.0
533.21960	91.4
534.22229	13.8
587.22992	7.8
619.25623	71.3
619.34961	2.0
620.25928	11.7
634.01563	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	616.37
Annotation	Unknow
Peak:m/z	Relative Intensity
61.66221	0.3
61.98832	100.0
69.25719	2.9
78.95911	1.0
80.99439	0.4
149.82137	0.3
152.99586	0.8
161.09789	0.5
179.10847	0.7
181.39542	0.3
197.11803	2.4
199.33293	0.3
240.13120	0.3
241.10991	0.4
253.63185	0.3
255.23337	2.5
309.61353	0.4
309.69684	0.3
319.36832	0.4
477.97092	0.4
553.37390	5.0
554.38275	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33709	2.3
56.79874	3.2
59.01377	28.8
59.19979	2.2
61.98830	100.0
70.92343	6.5
71.01379	19.6
78.95892	8.4
85.02950	8.0
87.00838	2.5
89.02445	20.0
93.03459	3.1
96.95998	3.3
101.02460	14.0
111.37111	3.0
113.02431	7.3
119.03509	9.8
122.56638	2.4
139.38857	2.2
144.60168	2.5
190.95370	2.6
191.05559	14.4
193.05981	2.9
208.06447	2.4
293.12265	3.9
323.13455	91.0
324.13846	5.6
350.26343	2.7
596.65399	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	616.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33524	1.1
56.00601	0.9
56.74145	0.9
61.98830	100.0
66.66535	1.0
69.05733	1.0
78.95909	2.2
87.69456	1.0
152.99637	1.2
206.86215	1.1
228.04428	1.0
229.52510	1.1
255.23247	1.6
268.88922	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86781	6.2
59.01377	90.1
61.00702	6.5
61.98831	100.0
70.13905	6.4
71.01388	10.5
71.53888	6.8
93.74136	6.3
150.76500	6.5
179.83855	7.0
191.05635	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	616.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03096	0.7
59.01382	32.7
61.98832	100.0
71.01389	2.9
71.50189	0.7
71.54494	0.8
72.77080	0.8
73.02969	0.7
73.73119	0.7
78.95911	1.6
84.89830	0.6
85.02975	1.2
89.02444	0.9
96.62341	0.8
96.96031	1.3
101.02483	1.3
109.20402	0.7
113.02448	0.9
161.04601	1.6
225.78171	0.7
246.31958	0.9
302.49109	0.9
442.67133	0.8
449.29074	1.4
467.30157	4.3
490.10474	0.8
636.36957	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.6
59.47475	0.2
61.98831	100.0
71.01400	0.2
80.30920	0.2
82.37299	0.2
83.46187	0.2
85.02971	0.5
87.00875	0.3
88.98833	0.5
89.02456	0.6
91.04265	0.2
93.03463	0.4
96.96014	0.4
101.02444	0.4
128.03563	0.4
168.47153	0.2
173.04590	0.3
191.05630	2.2
192.05978	0.6
268.07443	0.3
323.13470	1.7
374.13791	0.2
423.15698	0.3
424.15945	1.0
442.16965	0.4
473.69403	0.2
616.21729	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.5
57.03429	2.0
58.00582	3.0
59.01380	67.3
61.98827	16.6
69.03446	1.9
71.01381	81.6
71.54589	2.6
72.99301	5.2
73.02945	14.1
75.00837	1.7
83.01392	5.8
85.02959	24.0
87.00874	6.4
89.02446	67.0
90.02747	2.1
93.03426	2.8
93.11520	1.6
95.01388	5.4
96.95990	2.5
96.96964	1.8
97.02958	2.5
99.00883	6.3
101.02448	64.8
113.02444	32.6
119.03513	29.1
125.02428	5.4
128.03499	1.6
131.03514	9.7
136.05234	2.0
143.03497	9.7
143.04471	1.7
149.04495	3.5
150.05580	4.0
151.07631	5.8
152.08409	18.9
159.02974	3.5
161.04541	27.3
165.09183	2.5
179.05606	77.1
180.05911	2.5
191.05614	3.6
203.10823	4.4
206.97116	2.0
209.00955	1.7
217.12363	4.0
218.00763	1.8
218.13066	4.2
221.06657	22.7
273.18707	3.6
291.19699	3.1
301.16376	1.7
329.11331	2.1
427.61862	1.6
453.24786	21.0
454.25098	2.0
463.21844	19.3
464.21988	2.6
490.16434	6.3
525.93774	1.8
591.87024	1.8
597.28888	2.1
615.30237	100.0
616.30487	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	614.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91441	0.8
53.32369	0.8
59.55373	0.8
61.98829	100.0
63.45832	1.0
68.06940	0.7
70.65028	2.4
78.95898	1.7
81.73743	0.8
89.95372	0.8
107.04362	0.7
109.34243	0.7
129.36880	0.7
148.27644	0.8
152.99562	1.3
179.10826	1.2
186.65242	0.8
197.11810	3.9
214.41624	0.7
222.71004	0.8
234.30646	0.7
278.90259	0.7
315.14539	6.6
551.36096	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	615.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92303	0.3
57.03439	1.1
57.70815	0.4
59.01368	1.6
61.98833	4.5
67.01887	4.9
69.03452	1.1
70.73276	0.6
70.73621	0.8
71.01375	3.3
73.26082	0.4
74.36208	0.3
77.03986	0.6
81.03445	1.4
83.05013	1.0
85.02944	1.6
87.00861	0.7
89.03979	0.4
93.03461	30.6
94.03805	0.7
95.01362	0.4
95.05021	2.1
96.96018	1.1
99.00865	0.5
104.40591	0.4
105.03460	5.8
107.42487	0.4
109.02948	1.4
111.00883	0.8
111.04519	4.6
111.46557	0.4
121.02947	0.6
123.04546	2.5
127.03997	0.9
131.03775	0.5
133.02959	34.7
133.05281	4.4
134.03191	0.5
134.03833	0.5
134.06136	0.7
135.04512	1.7
137.02448	4.5
149.02397	0.8
149.06030	0.4
150.03252	1.3
151.03992	1.2
155.03494	3.5
159.03279	0.8
160.01733	0.5
173.04546	100.0
174.04901	2.8
177.01926	25.1
178.02412	1.4
179.03531	0.8
191.05608	10.3
195.02992	1.0
195.06636	0.4
205.13408	2.3
215.05595	0.6
231.11411	1.7
247.10878	1.2
248.11600	1.4
249.12411	6.5
263.13986	2.5
307.08331	2.5
351.07196	16.1
352.07709	1.5
397.17621	1.2
423.15796	2.7
441.16653	5.5
550.72607	0.4
615.21576	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	613.3591
Annotation	Toxicol C
Peak:m/z	Relative Intensity
55.01872	3.6
57.03448	4.8
58.00584	2.2
59.01381	57.2
60.01716	0.7
60.75298	0.6
60.92805	0.5
66.92989	0.5
69.03443	1.2
71.01383	62.5
72.01707	1.1
72.99312	3.3
73.02948	20.9
75.00874	1.1
77.62274	0.6
81.03492	0.8
83.01386	8.1
84.02143	0.7
85.02950	34.7
86.00071	0.8
86.03309	0.7
87.00874	2.6
89.02448	20.7
90.28596	0.6
95.01398	4.9
96.80283	0.6
97.02956	1.0
98.20753	1.1
99.00878	7.2
99.04559	0.6
101.02446	35.6
102.02752	0.8
103.04008	8.9
111.00873	2.0
113.02454	18.4
119.03498	9.0
125.02431	1.5
129.01935	3.8
142.64276	0.6
143.03523	1.4
145.05070	1.8
159.03018	3.0
161.04549	12.2
163.06172	4.0
275.25919	0.6
305.24637	0.9
367.10345	0.7
451.30627	16.0
452.31128	1.9
460.17514	0.6
467.30145	2.9
613.35925	100.0
614.36316	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.4
57.03443	6.8
58.00587	3.3
59.01381	67.5
61.98825	2.1
62.25701	0.6
64.08649	0.6
68.95396	0.6
69.03459	1.8
70.03909	2.5
71.01383	100.0
72.01735	1.7
72.99303	5.9
73.02948	33.6
75.00870	2.1
81.03448	0.9
83.01394	12.9
84.02176	0.7
85.02951	51.6
87.00880	5.3
89.02444	26.5
89.03007	0.8
95.01396	6.4
97.02975	4.1
99.00883	10.4
99.04453	0.6
101.02443	71.7
102.02755	0.9
103.04015	13.3
109.03017	0.7
109.98762	0.6
111.00924	1.0
113.02449	36.6
114.02817	0.7
115.03941	0.8
119.03510	12.2
125.02456	4.4
127.04048	1.3
129.01947	1.8
131.03479	1.7
143.03506	6.3
145.05066	2.6
159.02968	8.6
161.04553	66.8
162.04932	1.5
163.06116	10.9
179.05617	1.6
205.03528	2.0
247.08226	1.9
289.28287	0.6
307.10443	1.1
348.55093	0.7
389.26761	1.3
449.29257	1.0
467.30103	81.2
468.30334	8.4
532.85693	0.8
539.97571	0.6
613.35931	44.6
614.36145	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	611.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.0
56.24840	0.1
56.99805	0.2
57.03156	0.2
57.03446	5.9
58.00592	2.7
59.01376	47.2
60.01703	0.2
60.99319	0.2
61.98836	0.2
67.01898	0.7
68.99815	1.0
69.03454	3.1
69.64799	0.7
71.01377	100.0
72.01708	0.9
72.99306	5.4
73.02942	18.7
74.03297	0.2
74.39468	0.1
75.00871	1.2
79.95735	0.2
80.96512	0.5
81.03451	0.8
83.01381	12.0
83.05039	0.2
84.01703	0.2
84.02160	1.4
85.02946	50.4
86.00095	1.9
86.03299	0.7
87.00874	7.6
87.04522	0.4
89.02439	34.1
90.02771	0.3
95.01382	13.1
96.01723	0.2
97.02943	5.7
99.00877	9.9
99.04522	0.4
101.02437	55.6
102.02773	1.0
104.84840	0.1
109.02966	0.2
111.00873	4.5
111.04520	0.2
112.01672	2.5
113.02443	72.2
114.02724	1.1
115.04007	1.9
119.03497	15.6
120.03767	0.3
123.00909	0.3
124.01658	4.5
125.02444	8.6
126.02757	0.2
129.01932	2.5
131.03505	1.8
135.04536	0.3
136.85645	0.2
137.02463	0.2
139.00385	0.5
141.01898	1.0
142.02711	1.0
143.03490	13.9
144.03882	0.3
149.04510	0.8
155.03528	0.4
159.02968	4.2
160.66673	0.1
161.02618	1.1
161.04539	16.3
162.04887	0.3
164.67932	0.2
179.03517	0.1
179.03807	0.2
179.05614	2.9
185.04521	0.2
205.03462	0.4
305.24738	0.4
347.25674	0.2
369.28012	0.3
385.27426	0.2
387.28741	0.2
397.27420	0.3
449.29260	8.5
450.29626	0.7
467.30072	5.8
468.30597	0.7
491.29636	0.3
507.29126	0.3
509.31018	0.9
519.54700	0.2
533.31372	0.4
537.30573	2.3
538.30988	0.3
545.31000	0.2
547.32874	0.7
557.30377	0.3
563.32086	0.4
575.32178	0.6
581.33533	0.7
609.51123	0.2
611.34283	72.5
612.34650	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	611.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.2
56.99845	0.1
57.03447	6.5
58.00594	3.0
59.01378	60.6
60.01716	0.4
67.01881	0.6
67.86603	0.1
68.79994	0.1
68.99821	0.6
69.03458	2.8
71.01380	100.0
71.05014	0.1
72.01728	1.3
72.99310	4.6
73.02944	20.5
74.03287	0.2
75.00869	1.1
79.01890	0.3
81.03452	0.8
83.01386	11.8
84.02163	1.0
85.02949	50.6
86.00095	2.2
86.03281	1.0
87.00874	7.6
87.04504	0.4
89.02443	34.3
90.02776	0.4
95.01385	13.5
96.01720	0.3
97.02949	5.9
98.03287	0.1
98.20636	0.3
99.00882	10.5
99.04521	0.4
100.01163	0.2
101.02441	54.8
102.02778	1.0
111.00879	3.7
112.01679	2.7
113.02448	72.2
114.02753	1.5
115.04015	1.9
118.23093	0.1
119.03500	14.8
120.03830	0.4
123.00887	0.3
123.04539	0.2
124.00730	0.2
124.01659	4.8
125.02448	8.9
126.02768	0.2
129.01942	2.6
131.03506	2.1
139.00449	0.3
141.01918	0.8
142.02724	1.1
143.03496	13.9
144.03839	0.3
149.04567	1.2
155.03473	0.3
159.02992	4.1
161.04550	17.5
162.04893	0.5
177.04117	0.2
179.05614	2.9
185.04622	0.2
203.05655	0.1
205.03458	0.2
217.19505	0.3
235.20654	0.1
301.10974	0.1
304.61322	0.1
305.24884	0.4
338.45889	0.1
347.25790	0.2
369.27820	0.3
385.27682	0.1
397.27423	0.2
449.29062	7.8
450.29382	1.0
467.30057	6.9
468.30576	1.0
491.30173	0.4
507.29370	0.3
509.31155	0.8
510.31393	0.2
523.32916	0.2
533.30792	0.2
537.30664	2.2
538.30597	0.4
547.32745	0.8
557.30957	0.3
563.31927	0.7
575.32373	0.9
576.32471	0.2
581.32977	0.9
611.34296	75.3
612.34607	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	611.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24553	0.1
55.01874	5.6
57.03448	6.2
58.00590	3.2
58.90405	0.2
59.01377	67.1
59.08040	0.2
60.01694	0.6
67.01885	0.7
68.99813	1.1
69.03453	2.6
69.68127	0.1
70.84315	0.3
70.84631	0.2
71.01379	100.0
71.05000	0.3
72.01718	1.1
72.99306	4.3
73.02943	19.4
75.00874	1.2
75.12550	0.1
80.96494	0.2
81.03445	0.8
82.48272	0.2
83.01384	11.4
84.02158	1.2
85.02948	48.7
86.00093	2.3
86.03299	0.7
87.00874	7.3
87.04527	0.5
89.02441	37.2
90.02769	0.4
95.01385	12.4
95.17493	0.2
96.01732	0.3
97.02943	5.4
99.00877	9.7
99.04527	0.5
101.02439	54.8
102.02782	0.8
107.03439	0.2
107.90039	0.2
111.00149	0.3
111.00881	3.6
112.01674	2.8
113.02448	68.9
113.53682	0.2
114.02744	1.2
115.04015	1.9
119.03499	15.5
120.03828	0.2
123.00840	0.3
124.01662	4.4
124.02520	0.3
125.02450	9.0
127.00410	0.2
129.01950	2.6
131.03516	2.0
139.00375	0.4
141.01915	0.9
142.02708	1.0
143.03503	13.4
144.03883	0.3
149.04578	1.1
155.03491	0.3
159.02979	4.1
161.04556	16.9
162.04890	0.5
179.05609	3.0
185.04604	0.2
203.05424	0.2
217.19629	0.3
305.24823	0.5
360.34882	0.2
369.27762	0.3
422.57742	0.2
449.29047	7.2
450.29480	0.8
467.30066	7.0
468.30356	0.7
491.30099	0.4
507.29453	0.2
509.31192	0.9
521.31714	0.2
533.31274	0.2
537.30518	1.9
544.33386	0.2
545.30676	0.4
547.32416	0.7
557.30707	0.3
563.32611	0.3
575.32196	0.8
575.58032	0.2
581.33466	0.5
611.34283	72.8
612.34631	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	611.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69235	0.5
55.01870	1.8
57.03429	1.3
57.12300	0.5
57.98745	0.6
58.00590	0.6
59.01381	30.0
69.03429	0.5
71.01384	19.7
72.99326	0.9
73.02952	7.4
83.01398	4.2
85.02956	9.6
85.11519	0.4
87.00850	0.9
89.02454	5.6
95.01384	1.9
97.02959	0.9
99.00879	2.2
101.02447	16.7
101.68745	0.5
102.30387	0.6
111.00938	0.8
113.02465	7.3
115.20921	0.6
119.03555	1.1
125.02450	1.4
129.01967	0.6
135.94371	0.5
143.03503	1.2
159.02931	1.0
161.04515	3.7
186.77034	0.6
199.75012	0.5
389.25549	3.3
431.26642	0.6
551.30786	3.7
593.31750	4.0
611.32800	100.0
612.33160	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	611.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.5
57.03438	1.2
58.00573	0.6
59.01070	0.6
59.01381	15.5
61.98819	2.5
69.64187	1.8
69.64594	1.6
71.01383	21.9
72.99335	1.2
73.02953	7.1
73.17662	0.5
80.59108	0.5
83.01382	3.9
85.02953	9.6
86.00072	0.8
87.00864	1.6
89.02441	5.4
95.01376	1.7
97.02949	1.3
98.20650	0.9
99.00880	2.4
99.08145	1.3
100.69121	0.6
101.02444	16.9
111.00864	0.9
113.02456	6.9
119.03485	1.3
129.01912	0.8
132.38493	0.7
155.83443	0.6
159.02954	0.8
161.04518	2.3
191.05763	0.7
212.28600	0.5
223.20584	0.9
239.20047	0.7
269.21152	2.3
287.22299	3.1
408.21225	0.6
431.26486	10.8
432.32025	0.7
449.27234	2.7
502.92096	0.8
560.80499	0.7
593.31671	7.5
611.32788	100.0
612.33160	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	611.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96499	0.4
55.01877	1.0
57.03439	0.8
58.00595	1.4
59.01377	17.8
61.98830	2.3
69.26752	0.4
70.54221	0.9
70.54588	0.9
71.01379	16.9
72.99304	1.0
73.02937	2.8
80.34816	0.4
83.01383	1.9
85.02945	5.4
86.00096	0.7
87.00854	1.0
88.98794	0.7
89.02445	8.7
95.01401	1.3
99.00854	1.2
100.69128	0.4
101.02444	12.2
111.00886	0.5
113.02438	5.1
116.75315	0.5
119.03515	2.6
134.72824	0.4
137.90672	0.4
145.02948	0.8
160.41203	0.4
161.04546	1.2
198.10649	0.4
241.21582	0.5
252.76462	0.4
271.22653	0.5
287.22302	2.3
431.26440	3.7
433.27679	0.5
449.27539	18.9
450.27908	1.1
611.32800	100.0
612.33087	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	611.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.9
57.03439	1.4
58.00592	0.7
59.01379	14.8
61.98825	3.0
68.99796	0.6
69.03455	0.5
69.24187	1.5
69.24607	2.0
71.01382	22.0
72.99313	1.8
73.02944	7.5
83.01385	4.7
85.02951	9.5
86.00098	0.7
87.00873	2.0
89.02443	5.7
93.03432	0.5
95.01397	1.8
97.02950	1.2
99.00892	2.2
99.08152	1.2
101.02447	16.6
102.02853	0.5
111.00881	1.0
113.02451	7.6
113.09695	0.5
119.03545	1.9
124.41857	0.4
125.02417	1.2
129.01962	0.6
143.03496	1.3
159.02953	1.3
161.04567	3.7
162.04942	0.5
166.55742	0.4
173.04454	0.5
179.05583	0.5
191.05582	0.5
209.11928	0.4
223.20688	0.7
239.20071	0.4
241.21661	0.8
269.21188	2.5
270.21475	0.5
287.22238	2.9
431.20660	0.6
431.26492	11.3
432.26810	0.9
449.27356	3.3
593.22583	0.5
593.31836	7.9
594.31818	0.4
611.32800	100.0
612.33112	12.0
637.99811	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
57.03446	0.7
58.00606	0.2
59.01379	4.4
61.98816	0.2
69.86121	1.2
71.01006	0.4
71.01382	6.3
72.99310	0.3
73.02946	1.4
73.58229	0.2
78.95901	3.6
83.01395	0.7
85.02951	63.9
86.03283	0.9
89.02444	1.9
95.01374	0.9
96.96974	0.8
98.19923	0.4
99.00871	1.2
101.02439	3.2
101.17648	0.2
113.02451	3.1
119.03550	0.6
122.96359	0.2
128.03546	0.2
128.90250	0.2
129.01944	100.0
130.02242	1.7
143.03517	0.3
152.99605	4.4
161.04597	0.6
195.13910	1.1
223.00189	0.5
241.01086	1.5
250.60840	0.3
277.21738	0.6
295.22772	4.0
303.23309	1.9
314.20331	0.2
315.04767	0.4
319.22705	0.6
449.29111	0.4
481.28043	12.7
482.28687	1.5
611.27917	7.3
612.29669	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.7
59.01107	0.9
59.01381	13.4
61.98833	7.5
69.03460	1.0
69.73339	2.8
69.73751	1.2
71.01383	10.5
72.99321	1.0
73.02949	1.6
75.00877	0.9
77.19171	0.6
81.03484	0.7
83.01398	1.3
85.02946	2.8
87.00880	1.5
89.02441	8.4
95.05017	0.9
97.02962	1.2
97.06576	1.8
99.00885	0.8
101.02451	9.8
111.04587	0.7
113.02438	2.7
119.03479	1.7
125.02409	1.2
143.03461	1.0
151.11287	12.9
152.11568	0.7
161.04480	0.8
169.12337	67.3
170.12628	2.3
173.04518	1.0
179.05505	0.6
191.05576	1.2
195.10243	0.8
213.11330	16.9
214.11589	0.8
221.06540	0.9
235.08250	1.1
361.42990	0.7
397.13333	2.8
415.14594	4.8
448.32199	0.7
611.25494	100.0
612.25787	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	611.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38139	0.8
52.22102	0.8
53.95829	0.8
59.01104	1.1
59.01378	10.8
61.98824	1.9
68.77128	0.8
69.67802	1.6
69.68202	4.0
71.01372	3.0
72.99293	0.8
73.02924	1.0
85.02941	2.4
89.02429	0.9
97.02899	0.9
98.20071	2.2
99.00834	1.1
101.02450	1.9
105.30077	0.7
106.06623	0.8
113.02454	2.7
119.03486	0.8
120.04610	1.4
120.08180	3.1
121.05315	3.4
122.06133	13.3
134.06113	6.2
160.06418	7.8
197.07179	1.1
198.12773	1.3
211.08614	1.0
213.10329	36.8
214.10498	1.4
214.12392	1.0
215.11877	15.9
223.08620	2.1
225.10291	3.1
226.11090	3.1
239.11903	22.3
240.12099	1.1
241.13457	16.8
242.13806	1.0
251.11827	1.6
263.07910	0.8
263.11679	1.1
265.13348	0.9
267.11353	3.5
280.08362	0.9
283.10858	4.5
285.12445	100.0
286.12799	6.3
293.13049	1.5
295.10788	1.7
296.11664	1.6
309.12350	1.1
325.11899	7.6
369.14636	1.2
380.25839	0.8
392.14722	0.9
435.14166	1.2
449.15732	4.8
450.16269	1.4
463.17664	6.7
464.18311	5.3
465.19104	6.1
467.24258	2.6
477.19144	2.4
478.20084	3.2
479.20865	13.4
480.21143	1.7
491.24432	6.0
492.23679	1.0
493.22418	25.6
494.23050	5.6
507.24136	1.0
519.20526	1.4
535.23468	65.2
536.23688	9.0
537.21265	1.5
538.22125	18.6
539.22583	1.0
561.21216	1.1
579.22498	23.8
580.22711	3.2
611.25354	17.2
611.34650	4.1
612.25317	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	611.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.7
59.01377	8.0
59.44068	0.6
61.98821	5.3
67.01895	0.8
69.03471	1.0
69.28899	3.9
71.01377	10.1
72.99304	3.7
73.02974	2.5
75.00866	9.5
75.01244	0.7
77.97219	0.7
83.01437	0.7
85.02941	12.0
87.00879	4.6
88.98812	1.3
89.02480	2.2
89.47697	0.7
93.03510	1.3
95.01428	2.1
98.05250	0.6
98.19814	1.3
99.00882	18.9
101.02443	1.4
103.00390	1.2
109.02985	1.1
109.06613	0.6
111.00875	1.2
113.02441	11.6
115.00409	1.4
116.07162	0.6
117.01929	1.1
119.05050	1.0
128.03571	0.7
129.01959	1.1
135.08195	1.7
137.09726	7.9
137.10692	0.7
139.00374	0.7
145.67024	0.6
153.01955	1.3
153.06685	1.2
155.10773	72.2
156.11125	2.6
157.01416	2.3
163.04173	0.7
169.13478	1.1
175.02490	1.4
181.08759	1.4
191.05618	1.5
199.09752	20.4
200.10088	0.7
213.12573	0.9
225.11328	2.3
249.06140	3.7
273.13419	6.7
310.17722	0.7
387.16617	2.3
431.09592	1.3
431.15533	29.0
432.15698	2.8
449.16589	100.0
450.16962	9.4
473.16397	0.8
491.17725	4.8
492.18173	0.8
551.19672	1.2
567.27972	4.2
611.21826	24.4
611.30396	1.9
612.22205	2.2
626.78387	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86304	0.7
57.03447	1.2
59.01109	0.9
59.01378	11.6
61.98833	12.0
67.01882	1.1
68.99786	1.6
69.03454	0.8
69.86156	2.2
69.86548	1.6
71.01384	14.2
72.99297	4.1
73.02946	3.6
75.00873	13.6
81.03460	0.8
85.02946	13.4
87.00869	5.4
88.98767	1.2
89.02431	3.4
93.03455	1.7
95.01392	2.6
96.95979	1.0
98.41129	0.8
99.00878	24.0
101.02428	2.8
109.02993	0.9
111.00887	2.3
113.02457	11.9
114.63520	0.8
115.00360	1.6
117.01984	1.4
121.02967	1.1
128.03528	0.8
129.01933	1.8
135.08167	1.2
137.09721	6.9
139.00406	0.8
152.01183	0.9
154.62746	0.8
155.10773	78.3
156.11101	3.1
157.01393	3.2
161.69371	0.8
163.06122	1.1
175.02457	1.3
181.08679	1.9
185.11716	1.3
191.05606	2.8
199.09756	22.7
200.10162	0.8
209.04433	0.8
213.11259	1.1
225.11301	1.5
227.12781	1.4
249.06137	10.8
255.12065	0.7
273.13486	8.5
287.15005	2.6
387.16464	1.9
419.11264	1.3
431.15561	30.7
432.15726	2.5
449.16614	100.0
450.16919	9.1
473.16302	1.0
491.17804	4.9
551.19537	1.9
551.27228	2.5
552.27350	0.8
611.21777	24.7
612.22186	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	611.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73289	0.9
55.01879	1.2
57.03450	2.2
59.01380	4.6
61.98832	50.8
68.99829	1.6
69.03453	1.8
71.01379	7.2
71.05085	3.1
73.02941	1.4
75.17252	1.0
77.91124	0.9
81.03458	12.5
83.01379	12.3
85.02971	3.5
87.00867	1.4
89.02464	1.6
91.05475	1.2
93.03457	5.0
95.01394	4.1
95.05022	7.0
96.96015	1.5
97.02958	9.6
99.00872	1.5
99.04496	5.8
101.02454	1.9
107.05028	2.5
109.02946	4.7
111.00873	1.4
111.04527	3.6
113.02435	4.9
117.03480	2.8
119.05019	2.4
121.02950	6.3
121.06576	1.3
123.04520	28.6
125.02452	33.7
125.06080	1.6
126.02764	1.4
130.08759	2.2
135.04543	4.7
137.02455	13.8
137.06078	4.0
139.04057	5.1
147.04477	3.1
149.02455	2.0
149.06116	1.8
151.04015	7.0
153.05568	3.5
155.03616	1.2
155.10789	4.3
163.03999	4.7
165.01891	2.5
165.05566	3.5
166.02672	1.5
167.03497	49.8
168.03760	1.2
169.08739	2.6
177.01869	2.3
177.05576	1.9
179.03513	11.5
181.05061	2.0
189.05495	1.2
191.03557	3.7
191.05565	5.2
193.05052	2.1
197.04565	15.0
199.18163	1.7
204.38492	1.2
209.04547	100.0
210.04930	4.0
221.04546	4.3
227.03436	1.9
239.05603	79.2
240.06035	2.9
243.17139	8.5
251.05667	4.5
255.02884	1.8
269.06659	31.3
270.07022	1.4
277.03638	1.8
281.06805	3.0
283.02362	1.3
284.03119	1.5
285.03522	2.6
286.04071	3.2
293.06741	1.4
307.04535	1.6
311.07779	6.7
320.09424	1.2
329.08801	15.2
330.09033	1.3
337.33456	1.1
341.08743	7.1
359.09897	5.1
371.07697	38.4
372.07935	2.1
401.08762	28.8
402.09161	1.8
413.09601	1.5
431.09631	7.4
448.09335	2.7
449.12296	5.5
473.10956	5.2
491.11914	12.9
492.11929	1.8
503.11948	2.5
521.12622	3.0
611.15759	8.7
611.23157	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	609.51
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52192	7.3
59.34259	7.3
60.79526	8.2
61.98811	7.6
66.06496	9.3
70.94405	16.1
77.16353	8.1
78.95914	11.2
107.79035	8.5
116.37734	8.4
119.72191	9.8
123.48201	9.3
175.75359	8.6
279.23251	100.0
297.51495	8.4
448.25940	10.9
461.22781	10.5
462.22971	12.9
468.85223	8.3
473.22443	19.0
474.23376	14.5
477.25690	12.8
487.24933	25.3
488.25018	17.1
489.25748	56.5
504.20251	17.7
533.24548	63.5
565.27069	21.1
609.26544	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	610.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.6
61.98830	100.0
67.03374	0.6
77.31686	0.6
79.75520	0.7
80.48110	0.6
121.78251	0.6
179.10793	1.0
197.11974	2.0
210.95215	0.6
249.18629	2.2
315.14731	0.7
330.25659	0.7
343.28192	0.6
364.46719	0.7
547.32751	6.4
548.33221	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	609.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.2
57.03451	2.0
58.00589	0.7
59.01382	13.8
61.98822	0.8
69.03459	0.5
69.95665	0.7
69.96060	0.9
71.01381	23.9
72.99304	1.3
73.02950	8.3
75.00867	0.7
75.78685	0.3
78.95910	0.5
83.01389	6.9
85.02952	14.6
86.00086	1.0
87.00877	2.1
89.02455	2.4
95.01373	2.1
97.02938	1.0
99.00884	3.4
101.02442	18.4
108.97054	0.4
111.00877	6.2
113.02447	7.5
117.70041	0.3
119.03500	0.7
121.53292	0.3
125.02451	0.9
129.01947	1.1
140.23167	0.3
141.01912	1.0
143.03465	0.5
152.99530	0.5
159.02985	1.4
161.04536	2.4
214.51105	0.4
221.56783	0.3
243.91603	0.4
284.03336	0.4
447.33206	11.9
448.33676	1.0
506.44730	0.3
511.70749	0.3
582.94440	0.4
609.38538	100.0
610.38916	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	609.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02640	3.4
56.66486	2.6
59.01374	6.3
61.98815	7.6
71.52068	4.0
95.05016	3.4
108.34835	3.0
117.93808	2.9
121.10257	30.9
133.94435	3.2
171.10272	77.6
177.16499	4.8
207.10030	4.5
227.03423	3.7
231.21118	5.0
255.03090	4.9
275.17374	6.3
275.20166	93.6
276.20505	5.3
278.11359	9.2
284.03253	4.1
285.03958	4.2
293.21204	100.0
294.21552	11.5
301.81512	3.2
315.19424	55.6
316.19864	5.3
341.08902	3.5
359.18393	7.9
609.14398	3.6
609.41486	87.8
610.41473	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	609.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93595	0.5
55.01881	3.0
57.03439	2.3
58.00587	0.8
58.24862	0.5
59.01379	17.8
61.98823	1.3
71.00140	1.5
71.01382	26.6
72.99310	1.3
73.02953	8.7
78.64430	0.5
78.88699	0.6
78.95919	0.8
83.01392	4.6
85.02953	15.5
86.00102	0.8
87.00873	2.0
89.02448	5.9
95.01402	2.7
97.02928	0.9
98.20296	0.9
99.00864	2.7
101.02444	16.4
111.00890	3.3
113.02456	10.5
119.03475	2.3
125.02393	0.7
129.01935	1.1
141.01993	1.5
141.55800	0.6
152.99541	0.7
159.02963	1.3
161.04536	2.9
283.65445	0.6
447.27393	0.8
447.33298	9.0
448.33240	0.8
609.38519	100.0
610.28839	0.8
610.38959	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.4
60.05244	0.1
63.02395	1.1
65.00321	0.9
65.03975	0.1
70.81927	0.2
75.87713	0.1
79.01900	0.1
83.01380	0.7
84.31429	0.1
89.02432	0.2
89.03965	0.1
91.01923	0.2
93.03465	1.0
95.01386	0.3
101.02456	0.2
107.01380	2.7
108.02194	0.1
109.02930	0.4
117.03436	0.4
119.01368	0.1
119.03512	0.1
119.04988	0.1
120.02216	0.1
122.00633	0.1
123.00892	0.1
123.04515	0.1
124.01660	0.1
125.02445	0.2
130.04245	0.2
131.05023	0.2
132.02144	0.9
133.02971	0.2
135.00887	1.2
137.02441	0.3
141.07141	0.1
142.04231	0.1
143.04987	0.5
145.02963	0.2
145.06544	0.1
147.00908	0.1
151.00365	4.8
152.01152	0.4
153.01895	0.2
154.04259	0.2
155.04991	0.3
156.05783	0.2
157.06589	0.5
158.03651	0.1
159.04486	0.8
161.02464	0.2
161.06093	0.1
163.00380	1.5
164.01167	0.6
165.01923	0.3
167.04974	0.5
168.05786	0.1
169.01466	0.6
169.02753	0.1
169.06590	0.5
171.04480	0.6
172.05122	0.1
173.02455	0.2
173.05998	0.2
175.00314	0.1
178.99857	3.0
182.03734	0.3
183.02995	0.2
183.04523	2.2
184.05133	0.2
185.02420	0.5
185.06094	1.4
186.03224	0.1
186.06641	0.1
187.03979	1.9
189.05547	0.6
190.46973	0.1
190.99907	0.2
192.00569	0.1
195.04576	0.4
196.05345	0.2
197.06038	0.6
198.03218	0.2
199.03999	0.9
200.04808	0.4
201.05507	0.5
205.01532	0.1
210.03250	0.1
211.03978	3.0
212.04733	0.4
213.01880	0.2
213.05537	1.2
214.02637	0.3
215.03548	0.2
217.05000	0.1
223.04051	0.1
226.02777	0.3
227.03482	58.6
228.03836	3.2
229.05026	5.1
230.05377	0.2
239.03461	1.3
240.04178	0.4
241.05035	1.0
243.03050	0.3
253.04990	0.1
255.02971	85.5
256.03549	9.0
257.04532	5.6
258.04849	0.3
267.02936	0.5
268.03738	0.2
269.04410	0.2
281.04483	0.2
283.02475	2.8
283.05618	0.1
284.03244	100.0
285.03973	58.5
286.04376	3.1
299.05484	0.1
309.03970	0.6
326.04483	0.2
327.05048	0.8
328.05270	0.1
339.05133	0.7
351.05139	0.1
357.06516	0.1
381.06067	0.3
393.06171	0.2
411.07214	0.6
429.08243	3.9
430.08316	0.4
447.09073	0.5
448.98087	0.1
461.10794	0.2
489.10190	0.5
609.14557	58.9
610.14893	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	609.1461
Annotation	Cyanin
Peak:m/z	Relative Intensity
59.01371	0.7
61.98829	2.0
63.02399	0.5
69.75603	2.0
83.01373	0.6
85.33904	0.4
89.02454	0.5
90.18523	0.4
93.03461	1.3
101.02411	0.5
107.01387	1.4
109.02951	0.6
113.02450	0.5
117.03467	1.0
135.00890	0.5
145.06291	0.4
151.00348	3.8
155.05055	0.6
159.04530	1.2
161.28716	0.4
169.06529	0.9
171.04451	0.5
178.99925	0.7
183.04489	3.1
185.02357	0.8
187.03979	1.4
191.05627	0.8
199.03944	0.6
199.86015	0.4
211.03983	3.1
213.05426	0.7
215.03551	0.5
219.34967	0.4
227.03481	15.5
228.03865	1.1
229.05095	1.0
230.71025	0.5
239.03505	0.7
241.05084	0.7
255.02979	61.4
256.03485	6.2
257.04626	1.5
281.04633	0.6
283.02472	100.0
284.03189	34.1
284.07825	0.7
285.04025	56.1
286.04343	3.5
297.03918	2.1
298.04642	0.7
309.04233	0.5
320.00140	0.5
326.04163	1.3
327.05106	2.6
446.08514	18.0
446.46524	0.4
447.09286	98.9
448.09634	9.2
459.09433	1.0
489.10388	8.5
490.10770	0.8
513.10193	0.8
599.24689	0.5
609.14594	35.9
610.14819	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	609.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.2
61.98830	3.5
65.00352	0.6
70.18156	2.2
71.01028	0.5
71.01378	2.8
83.01413	0.5
85.02956	1.1
86.34662	0.5
89.02448	1.6
90.32093	0.5
93.03470	1.7
101.02463	1.8
107.01437	1.3
113.02451	1.1
117.03471	1.2
128.03473	0.7
145.06209	0.9
150.21341	0.5
151.00356	2.3
152.01205	0.6
159.04495	0.8
161.04625	0.9
169.06560	1.0
171.04483	0.6
178.99933	0.7
179.05602	1.0
183.04509	3.0
185.06029	0.8
187.03920	0.6
191.05579	1.6
209.11908	0.7
211.03926	3.0
213.01857	0.6
213.05528	0.9
214.02780	0.7
227.03514	9.6
228.03804	1.0
229.05086	1.0
239.03462	0.6
255.02980	51.1
256.03464	4.0
257.04605	0.7
269.04654	0.9
281.04370	0.7
283.02472	100.0
284.03168	20.0
285.04031	78.3
286.04453	3.8
297.03989	1.0
299.01883	0.6
301.03540	0.6
313.03784	0.5
327.05087	3.6
351.05225	0.6
446.08548	16.3
447.09280	58.2
448.09625	4.8
489.10287	3.7
509.16284	0.5
549.25323	2.9
609.14514	45.1
610.14911	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	609.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.4
61.98819	0.2
63.02388	0.9
65.00316	0.9
71.53600	0.2
72.50343	0.2
83.01392	0.8
89.02414	0.2
91.01896	0.3
93.03455	1.0
95.01385	0.3
101.02454	0.2
106.92756	0.1
107.01387	2.4
109.02940	0.3
113.02393	0.2
117.03425	0.3
121.03047	0.2
131.54031	0.2
132.02156	1.0
134.04741	0.2
135.00911	1.2
143.04979	0.5
151.00368	4.4
152.01076	0.6
153.01901	0.4
154.04152	0.2
156.05801	0.2
157.06601	0.4
158.03726	0.2
159.04480	0.8
163.00386	1.7
164.01129	0.5
167.05000	0.4
169.01413	0.6
169.06587	0.3
171.04544	0.5
173.02402	0.2
178.99866	2.6
183.04474	1.9
184.05316	0.3
185.02419	0.5
185.06097	1.4
187.03990	1.8
189.05492	0.5
190.99748	0.3
191.05612	0.2
192.00517	0.2
195.04446	0.4
197.06111	0.4
199.03958	0.9
200.04878	0.2
201.05470	0.4
211.03989	3.1
212.04865	0.3
213.05527	1.1
214.02568	0.2
217.05179	0.2
223.04039	0.2
226.02672	0.2
227.03485	54.8
228.03864	3.3
229.05034	5.2
239.03555	1.4
240.04239	0.6
241.04892	0.8
243.03053	0.2
255.02972	82.4
256.03549	8.9
257.04547	5.4
258.05084	0.2
267.02914	0.4
281.04541	0.3
283.02441	3.3
284.03241	100.0
285.03986	59.0
286.04410	3.5
289.10959	0.2
309.03915	0.5
327.05136	0.8
339.04919	0.5
351.05011	0.2
381.06262	0.3
393.06195	0.3
429.08194	3.6
430.08612	0.3
447.09421	1.0
447.14606	0.2
489.10245	0.4
609.14557	62.7
610.14825	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	609.1457
Annotation	Cyanin
Peak:m/z	Relative Intensity
63.02401	1.7
71.22234	1.4
71.22575	1.3
81.36267	1.0
93.03498	1.2
99.98029	0.9
107.01397	4.1
126.34767	0.9
132.02202	1.3
135.00877	2.3
151.00383	4.6
154.04060	0.9
159.04469	1.8
163.00352	1.6
164.01105	2.0
167.42885	1.1
171.04515	1.6
178.99884	2.2
183.04454	3.0
185.06041	1.3
187.03973	4.4
199.03897	1.7
200.04677	1.3
211.03983	3.7
213.05627	2.0
227.03493	62.6
228.03963	2.2
229.05074	7.9
239.03398	1.9
241.04907	1.6
255.02985	100.0
256.03430	7.6
257.04456	3.8
258.04498	1.2
258.21161	1.0
283.02356	2.9
284.03247	82.6
285.04016	51.4
286.04428	2.4
308.25192	1.0
429.08154	2.8
589.58368	1.2
609.14612	91.9
610.14978	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	608.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99008	1.0
60.99308	15.9
61.98812	1.5
71.52905	0.9
78.95898	4.1
79.93523	0.7
87.00877	1.3
88.00388	4.1
88.04043	1.3
88.98806	100.0
89.02446	17.7
89.02890	0.5
105.78111	0.8
112.10991	0.7
152.99586	2.2
192.06323	0.8
197.11856	1.5
279.23367	4.6
280.23651	1.1
288.32733	0.6
316.77219	0.7
489.22894	1.6
504.31186	1.5
576.23242	0.9
608.23657	1.1
609.36542	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	608.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99003	0.9
60.99310	14.7
61.98842	1.0
71.53859	0.5
71.54225	0.8
75.46852	0.5
78.95893	2.5
81.78775	0.5
83.32402	0.4
87.00880	1.1
88.00407	5.1
88.01215	0.5
88.04040	2.2
88.98808	100.0
89.02445	19.5
89.99144	0.6
97.45522	0.4
97.73170	0.5
117.20155	0.5
140.31645	0.5
152.99571	1.8
197.11880	1.4
206.04897	0.6
217.98260	0.5
249.26811	0.5
279.23282	6.6
280.23593	1.7
360.20642	0.6
371.52484	0.6
372.69983	0.5
433.23773	0.6
504.30936	1.5
527.28302	0.7
609.36133	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	607.2561
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
52.11437	1.3
55.30721	1.1
68.27856	1.1
75.28434	1.2
78.95918	1.6
83.74914	1.3
147.38232	1.3
199.55530	1.3
287.75848	1.5
430.21222	3.4
431.22360	17.0
432.22845	4.4
443.22424	1.9
444.22861	4.0
445.17545	2.0
445.23843	10.1
446.24420	3.6
447.25662	6.4
448.26050	1.3
456.19266	2.2
457.24329	2.6
459.18228	5.3
459.26093	7.3
460.22852	30.4
461.22836	5.5
471.21814	10.4
472.22629	32.4
473.23163	4.6
474.20462	15.5
475.20398	6.9
475.24942	22.8
476.25235	4.6
485.23431	3.0
487.25070	92.6
488.25327	12.6
489.22266	2.3
498.20645	2.4
502.20111	25.7
503.20020	2.0
504.24948	6.1
513.23077	7.3
516.21838	2.1
519.27429	12.4
520.24164	2.4
523.92273	1.5
531.23999	100.0
532.24359	15.3
534.22681	7.7
535.27765	2.9
545.25647	5.4
547.23254	1.8
548.24292	13.2
549.23993	2.2
563.26697	24.6
564.26660	4.2
575.23486	2.4
607.25464	21.6
608.25836	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	607.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62302	3.5
54.01012	3.6
61.98830	7.4
98.20622	15.0
206.10049	3.7
229.54855	5.2
431.22217	12.8
444.22925	4.6
445.24203	9.2
447.25424	8.7
459.25989	4.7
460.23303	24.4
472.22766	27.1
473.22321	5.4
474.20435	12.4
475.21213	27.8
475.25552	13.0
487.25049	92.9
488.25226	11.5
502.19986	26.6
504.25293	9.0
513.23065	9.5
519.28308	23.0
531.23999	100.0
532.24536	19.0
534.22534	21.8
535.23828	5.1
545.25098	6.3
547.23267	9.1
548.23975	11.9
563.26825	19.1
586.24524	4.6
607.25513	64.2
608.25348	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
60.97773	1.6
70.09512	4.2
70.09904	4.6
78.95902	100.0
96.96951	6.1
96.97539	1.8
97.22675	1.8
97.76185	1.9
99.92580	10.6
115.92084	34.7
116.92091	4.2
116.92855	27.7
150.98004	4.8
152.98404	1.9
152.99591	30.1
164.90509	2.6
171.00615	6.9
171.44743	1.9
172.95465	7.3
178.88361	10.4
179.89214	30.9
180.90031	18.7
194.87837	3.1
196.89496	45.0
205.90762	3.2
206.91574	4.1
235.91771	6.9
236.92598	23.7
238.07938	1.8
252.92064	3.6
270.93130	2.6
278.93713	2.9
279.23309	12.5
305.00592	1.9
358.06461	1.9
375.95001	1.8
498.14661	3.2
499.15692	11.4
507.27405	3.1
516.15955	6.7
559.17737	5.6
571.17090	9.5
572.17712	2.1
589.18707	6.0
607.19788	64.1
608.19873	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	606.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30900	0.3
56.92212	0.3
59.01366	0.7
60.99305	14.9
60.99619	0.9
61.21141	0.3
61.38816	0.4
61.98825	0.7
69.94558	2.2
78.91869	0.4
78.95895	2.8
87.00876	1.4
88.00414	4.6
88.04067	1.1
88.98807	100.0
89.02449	15.5
89.03017	0.6
89.99170	0.9
96.96980	0.4
108.47353	0.4
152.99593	1.6
156.53331	0.5
176.62076	0.5
184.94203	0.4
246.01341	0.4
250.61023	0.4
277.21722	4.8
278.22095	0.7
285.49817	0.4
409.29620	0.9
431.21854	0.8
502.29532	1.4
503.29785	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.5
59.01379	100.0
61.98824	5.1
69.03435	2.5
69.61628	2.2
69.62045	4.5
71.01378	15.0
73.02943	14.1
83.01371	5.4
85.02953	22.2
89.02452	6.4
97.02950	3.5
99.04501	3.6
101.02446	10.7
109.06604	1.3
112.88236	1.1
113.02456	8.7
119.03529	2.3
119.05005	2.3
127.08164	1.0
128.03525	1.6
138.05627	1.8
142.06192	1.1
161.04514	1.8
165.12758	1.8
179.05661	1.4
189.12941	1.2
191.05594	3.7
194.75636	1.1
207.13908	9.3
207.22092	1.1
209.11804	12.1
225.14999	12.8
227.12886	54.8
228.13229	1.1
233.11977	1.2
251.12856	4.9
269.13940	19.4
270.14279	1.7
282.11365	4.9
287.14990	83.8
288.15329	3.4
293.14114	1.6
311.14908	3.0
329.16125	7.2
336.49713	1.1
359.17078	4.8
389.18167	22.2
390.18619	1.4
431.19131	1.5
449.20264	43.7
450.20700	4.0
457.35379	1.1
461.55615	1.3
588.26593	30.9
589.26813	4.8
606.27643	84.6
607.28033	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	605.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
65.13731	0.3
67.22621	0.3
67.37946	0.3
70.74519	0.3
70.95165	0.4
70.95510	0.6
91.49129	0.3
105.04032	0.3
125.86889	0.3
224.80099	0.3
224.93701	0.3
394.11810	0.5
415.15512	0.6
416.16232	0.3
428.16470	0.6
429.17065	1.0
430.17950	1.0
432.33829	0.3
443.18646	0.9
444.19406	0.5
456.16122	0.4
457.20810	1.7
458.16705	0.3
459.17905	2.9
460.18622	0.6
469.20029	0.3
470.21051	1.0
471.18173	1.8
472.18646	0.8
473.19644	5.0
474.19855	0.8
475.21588	0.7
485.20026	2.9
485.24878	0.4
486.20923	3.8
487.21082	1.0
496.19156	0.8
499.17667	2.7
501.23932	2.8
502.19370	0.5
511.21426	2.1
512.21429	0.5
513.19312	2.5
514.20093	8.7
515.20380	1.2
517.18268	0.5
518.19580	1.9
528.21442	0.6
529.22418	100.0
530.22754	12.8
532.21234	2.0
533.21808	1.9
561.25439	0.8
573.21387	1.2
605.23956	1.4
606.24432	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90680	0.6
60.08473	0.7
60.88632	0.7
67.61258	0.6
69.94802	3.6
76.92924	0.7
83.39849	0.7
84.57869	0.7
92.61645	0.7
147.71289	0.7
166.10155	0.7
235.73460	0.7
265.09848	0.8
277.21921	0.8
311.22345	1.0
340.80328	0.7
429.16647	0.9
430.17578	1.2
457.20496	1.5
459.18198	2.7
469.20178	0.9
471.18451	1.6
473.19858	3.5
474.20877	1.2
475.20972	1.0
485.19717	2.5
486.21042	3.7
499.17603	3.2
501.23474	3.5
502.23004	0.9
511.21039	1.8
513.19391	2.5
514.20062	9.8
515.20398	1.0
517.18579	1.4
518.19562	2.6
529.22424	100.0
530.22754	13.8
532.21198	1.8
533.22064	2.6
561.25415	0.8
571.46820	0.9
573.21552	0.8
605.23981	6.0
606.23792	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44139	1.2
61.98826	2.4
74.20718	1.4
78.95905	100.0
96.96967	4.9
99.92589	9.0
115.92082	28.4
116.92095	2.5
116.92858	22.3
120.96933	2.1
140.44946	1.3
150.06824	1.4
150.98006	4.7
152.99580	33.6
155.95206	2.0
171.00626	5.7
172.95464	4.1
178.88419	11.6
179.87648	1.6
179.89203	28.0
180.90015	20.0
194.87988	2.7
196.89488	41.3
197.89423	2.6
205.90791	3.9
206.91574	2.8
208.89626	1.8
221.90163	1.9
229.46077	1.8
235.91774	5.8
236.92589	16.3
237.93085	2.1
245.82613	1.4
252.92049	1.8
253.92764	1.4
277.21658	7.7
278.93719	1.6
291.19583	1.8
313.17706	1.9
327.81058	1.3
379.28470	3.7
380.28604	3.6
389.69995	1.5
401.23309	1.4
427.89236	1.5
496.13245	2.4
497.14392	7.4
514.14087	4.7
557.16229	4.5
569.15948	6.2
587.16986	7.1
601.15167	2.5
605.17987	38.3
606.18304	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	604.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
57.03442	1.2
58.00601	1.0
59.01380	31.4
59.02871	0.6
61.98824	1.7
71.01383	23.2
72.99300	1.7
73.01166	2.6
73.02929	3.3
83.01385	3.0
85.02949	7.1
86.02477	9.5
87.00899	1.1
89.02449	16.5
95.01366	1.9
98.19838	1.0
99.00896	1.1
101.02447	17.9
113.02444	8.4
119.03495	6.3
131.03490	0.8
136.00676	0.6
143.03513	0.9
161.04536	1.0
165.23798	0.6
198.11896	0.6
254.45203	0.6
298.17218	0.6
355.22888	0.8
375.07150	0.6
517.28357	43.4
518.28625	5.0
604.31622	100.0
605.31952	12.7
622.82880	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.8
60.99289	4.1
61.98832	2.8
62.85922	2.3
66.18230	2.3
71.54565	2.6
71.54954	2.6
77.14159	2.1
77.30855	2.0
78.95916	4.6
87.00850	5.5
88.00420	16.6
88.04050	13.2
88.98810	43.3
89.02444	100.0
96.96016	3.3
103.42954	1.9
125.11792	2.1
126.69843	2.6
132.84143	2.0
160.44415	2.3
174.37967	2.0
183.47166	2.1
217.19167	2.0
218.10408	2.6
219.99194	2.0
249.92863	2.4
277.21680	7.3
278.22012	2.3
402.82288	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89814	2.9
52.09586	2.7
53.12801	3.2
56.31573	2.6
59.01373	4.4
60.99302	9.8
61.98809	2.9
70.05412	7.3
70.05804	5.9
78.95892	16.4
81.64886	2.8
87.00871	7.6
88.00390	15.2
88.04042	12.6
88.98267	4.9
88.98806	61.0
89.02444	100.0
96.95995	5.5
98.19933	3.1
117.14054	2.7
120.05106	3.0
125.90380	3.0
130.65463	3.0
152.99532	9.7
171.10260	11.3
276.01700	3.3
295.22659	4.4
307.09506	4.4
441.64856	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	602.188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.9
60.99291	1.8
61.98825	15.4
66.47147	0.8
67.01870	2.8
71.01377	6.5
71.52953	1.3
72.46467	0.8
73.02942	2.3
74.82579	0.8
81.12679	0.7
83.34495	0.8
85.02946	7.8
87.00874	8.7
89.02448	1.0
93.03457	24.7
96.95989	2.2
101.02434	1.1
109.02872	1.4
111.00859	1.0
111.04509	5.7
114.05541	0.9
127.04004	1.3
128.03505	1.7
135.04449	1.0
150.02078	1.0
155.03499	1.7
155.30045	0.8
161.02400	0.9
163.03915	0.8
173.04552	13.3
191.05620	50.0
192.05901	1.7
198.09178	1.9
208.07648	3.4
210.05661	1.4
211.06291	1.6
213.09149	3.1
226.08734	23.6
227.09341	1.5
228.10272	2.1
237.07884	1.8
238.08745	3.7
240.10359	4.1
250.08688	1.5
252.10254	3.8
257.08112	7.7
260.27441	0.9
264.10284	1.1
266.11835	1.6
268.09726	2.7
270.07690	11.5
271.08215	1.2
272.09033	2.3
284.09177	3.5
296.09424	1.2
310.10760	0.9
312.08780	5.6
324.08701	1.9
324.12207	0.8
340.11774	0.9
341.12866	1.8
342.09891	1.2
352.11908	1.4
368.11380	2.0
370.12961	5.5
384.15414	1.4
385.11969	1.4
389.81287	0.9
410.12491	1.5
428.13416	1.3
431.13528	2.7
444.12970	5.3
446.14505	2.6
544.17999	5.2
584.17694	6.6
585.17865	1.0
602.18774	100.0
603.19006	12.0
603.27924	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63475	1.4
63.60738	1.1
71.53566	1.0
71.54005	1.7
78.95904	11.8
79.63083	1.3
79.95724	1.6
94.66131	1.2
96.96016	6.5
110.98549	10.4
127.11292	1.4
134.69414	1.2
143.30667	1.0
144.51649	1.1
155.25189	1.2
167.01151	4.1
171.10278	100.0
172.10591	3.0
279.23291	93.3
280.23706	6.3
339.12143	3.1
373.78171	1.2
447.25146	3.4
507.40292	1.3
559.39429	1.4
601.35736	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	601.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79058	1.3
59.01373	5.0
61.98835	4.4
70.69260	1.2
71.51849	2.4
81.76793	1.3
82.31932	1.3
90.82597	1.4
96.96007	3.0
137.02472	1.6
145.39008	1.5
148.14859	1.3
159.04535	4.0
159.96744	1.4
172.05290	17.2
184.05180	1.5
185.06010	2.9
186.06874	14.5
187.07622	12.1
189.05748	1.4
191.05618	6.2
198.06856	23.1
199.07495	2.6
216.07892	100.0
217.08662	18.9
225.50197	1.3
226.32671	1.5
275.14969	1.7
349.12857	5.5
349.49817	1.5
361.12784	3.8
369.64838	1.4
379.13950	96.0
380.14270	7.8
405.49658	1.3
442.97360	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	600.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94646	2.5
54.28025	2.5
61.98830	100.0
62.04537	2.9
71.29362	3.5
89.92130	2.5
120.40484	2.8
131.43976	2.4
133.57513	2.8
152.99608	2.5
171.10309	4.1
193.84464	2.4
396.40848	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	601.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	1.5
69.47636	1.3
69.48042	4.4
69.96099	0.8
89.77217	0.9
107.03628	1.3
108.02041	2.3
110.07430	0.7
121.21339	0.8
126.03101	1.8
128.03551	3.7
133.01563	16.9
150.04208	100.0
151.04562	1.3
156.99893	1.3
209.53807	0.8
226.12378	0.8
282.08429	99.5
283.08768	3.4
286.09467	1.3
318.06122	15.9
318.11877	1.3
319.06384	1.0
410.96219	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.6
61.98819	6.2
68.99561	3.4
70.29134	1.1
71.00664	2.1
71.01386	28.1
73.02943	5.1
73.72656	1.2
78.91886	1.4
81.62939	1.0
83.01395	2.5
85.02935	5.7
88.04044	56.7
91.92391	1.1
95.01388	1.3
99.00913	1.2
101.02449	8.0
102.25782	1.0
112.98555	2.5
113.02417	3.8
115.00373	14.4
116.92865	2.3
132.02107	1.7
132.03040	24.9
213.89209	1.4
265.59860	1.2
330.99533	1.3
337.59882	1.2
388.63541	1.2
484.32867	8.6
485.31174	12.6
556.34698	3.7
600.33868	100.0
601.34259	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	600.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.6
61.98819	6.2
68.99561	3.4
70.29134	1.1
71.00664	2.1
71.01386	28.1
73.02943	5.1
73.72656	1.2
78.91886	1.4
81.62939	1.0
83.01395	2.5
85.02935	5.7
88.04044	56.7
91.92391	1.1
95.01388	1.3
99.00913	1.2
101.02449	8.0
102.25782	1.0
112.98555	2.5
113.02417	3.8
115.00373	14.4
116.92865	2.3
132.02107	1.7
132.03040	24.9
213.89209	1.4
265.59860	1.2
330.99533	1.3
337.59882	1.2
388.63541	1.2
484.32867	8.6
485.31174	12.6
556.34698	3.7
600.33868	100.0
601.34259	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	600.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.6
57.03452	0.8
58.00599	0.6
59.01381	10.0
61.98825	0.9
69.48852	0.6
69.49258	2.6
71.01384	25.4
72.99326	1.1
73.02942	2.2
78.95902	1.0
83.01391	1.1
85.02955	4.2
87.00819	0.5
88.04042	71.5
89.02460	3.4
89.04395	0.7
90.25208	0.4
95.01393	1.2
97.74249	0.5
99.00891	1.0
101.02454	5.7
113.02457	3.7
114.01975	1.1
114.99567	0.8
115.00377	15.4
119.03493	1.2
127.27083	0.4
132.03029	27.5
161.04559	1.7
179.05629	0.4
199.76540	0.5
306.27948	0.6
307.26419	1.1
422.29190	2.3
484.32803	6.9
485.31155	9.6
486.31879	0.5
556.35162	2.1
582.32697	1.2
600.33905	100.0
601.34174	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	600.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48023	0.9
58.02970	16.5
59.01366	2.2
61.98813	2.9
66.03462	1.3
68.05052	1.1
71.01382	2.4
72.00890	1.3
74.02473	31.2
81.04583	2.4
82.02959	3.4
84.04518	2.1
86.02470	11.0
86.06087	1.3
87.05626	4.7
88.04033	1.1
88.54947	0.9
96.04543	2.1
97.04072	3.9
98.09148	0.9
98.20674	1.9
99.05640	23.7
99.70914	1.0
101.02424	1.1
101.07204	5.7
102.05594	5.4
107.06154	2.3
109.04058	4.4
109.07646	1.6
111.05629	2.7
112.04014	3.7
123.05621	3.1
124.04025	1.8
125.03590	5.4
126.04331	1.1
127.05151	4.9
128.03540	76.6
131.21840	1.1
135.05640	10.8
137.07182	2.0
139.01497	1.3
141.06667	3.4
143.04622	95.4
144.04904	2.0
145.06163	3.8
146.04614	10.9
149.07208	2.0
153.06671	5.6
155.08217	1.5
166.09837	3.4
167.04543	3.9
167.08270	8.7
170.03236	1.3
171.04015	2.6
179.04622	28.3
180.04887	1.3
181.06175	3.0
185.05681	2.5
192.07779	2.8
197.05754	4.9
206.66585	1.1
210.08806	24.8
223.44359	1.2
228.09872	2.2
236.06500	1.0
254.07805	59.7
255.08231	1.6
272.08871	87.5
273.09094	4.3
275.20209	1.8
293.21335	4.8
327.19916	13.1
333.30969	1.1
421.52304	1.2
471.25107	11.3
472.25552	2.1
521.63385	1.1
582.28534	13.2
583.29120	3.4
600.29584	100.0
601.29846	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02970	11.7
59.01363	2.3
61.98817	3.9
66.03484	2.1
68.11581	1.1
68.82906	1.3
70.02978	1.3
70.66242	1.1
71.01350	2.0
72.97514	1.3
74.02467	27.1
81.04546	1.8
82.02979	3.1
84.02505	1.2
84.04539	1.8
86.02463	10.7
87.05627	4.0
88.04037	3.0
95.02534	1.3
96.04505	1.9
96.95985	1.3
97.04059	3.7
98.20772	1.8
99.05643	20.1
100.00380	2.7
101.07182	4.4
102.05587	4.3
107.06140	2.6
109.04066	2.9
111.05636	2.8
112.04027	2.4
116.92798	1.7
121.04015	1.5
123.05620	2.0
124.04065	1.9
125.03535	3.9
127.05107	3.8
128.03534	73.5
135.05647	8.7
137.07233	2.0
139.05049	1.1
141.06682	3.3
143.04619	93.9
145.06165	3.2
146.04582	9.5
153.06665	5.9
155.14354	1.8
164.08176	1.4
166.09821	5.8
167.04570	3.8
167.08310	5.9
170.03261	2.6
171.04048	2.2
178.20616	1.3
179.03238	2.0
179.04631	23.7
181.06161	1.7
184.09315	1.4
184.10838	1.5
185.05565	2.3
186.10709	1.3
187.07832	1.7
192.07759	2.2
197.05652	3.4
210.08801	21.8
215.55731	1.2
223.81264	1.3
228.09834	3.2
229.59978	1.5
254.07809	58.2
255.08171	2.4
272.08865	100.0
273.09122	3.8
293.21075	3.1
314.16071	1.4
327.20016	8.2
471.25314	8.7
582.28705	9.2
583.29144	1.4
594.75708	1.3
600.29498	54.3
601.29602	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	599.3452
Annotation	Nocardamine
Peak:m/z	Relative Intensity
50.94898	1.0
55.01873	3.9
57.03436	5.1
58.00599	2.1
59.01379	55.7
71.01380	76.8
72.01709	2.2
72.99302	4.0
73.02945	13.5
73.18784	0.9
75.00874	1.8
83.01389	7.2
85.02950	31.4
87.00883	3.1
89.02443	38.3
95.01392	4.0
97.02930	1.8
98.20731	2.3
98.36028	1.1
99.00871	7.0
101.02439	31.0
109.64428	1.0
111.00876	3.5
113.02459	21.9
113.28330	1.0
115.00360	2.6
115.69302	0.9
119.03506	7.0
128.24973	0.9
129.01938	3.2
131.03477	4.8
134.07755	1.0
143.03458	1.7
149.04562	3.9
159.03001	3.8
161.04553	10.9
179.05548	1.4
182.33867	0.9
303.23395	1.2
305.24136	1.3
315.72330	0.9
437.28995	13.7
438.29462	1.6
467.30176	9.0
469.46927	0.9
481.28036	6.7
482.28381	8.0
483.28622	33.5
484.28418	1.5
559.12494	1.0
599.34351	100.0
600.34875	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27769	0.8
55.01861	3.6
56.36674	1.0
57.03433	3.9
58.00583	2.4
59.01377	35.1
61.98834	2.2
69.03430	1.1
71.01382	48.3
71.51783	1.2
72.99318	2.5
73.02943	11.0
75.00854	1.9
83.01381	6.0
85.02451	1.5
85.02947	19.5
87.00889	2.2
89.02441	16.2
95.01385	3.5
96.96030	1.2
99.00867	6.0
101.02441	22.1
113.02438	14.0
119.03470	3.5
129.01921	2.4
131.03471	1.8
149.04565	2.0
161.04517	4.0
209.11871	1.1
213.04866	1.1
238.37515	1.1
303.23318	12.3
319.22665	4.9
437.28870	3.7
467.30014	3.3
481.28061	100.0
482.28476	11.3
527.85730	1.1
570.03473	1.2
591.95245	1.0
597.77478	1.2
599.32300	40.1
600.32159	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	599.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92644	0.5
56.17372	0.5
57.03454	0.8
58.77335	0.6
59.01380	20.1
61.98833	22.0
70.02984	3.4
70.32220	1.2
70.32608	1.4
71.01386	4.4
73.02945	7.0
74.70371	0.5
75.79944	0.5
79.54197	0.5
80.02745	0.5
83.01388	7.3
85.02950	0.7
87.05649	2.4
93.03455	0.9
96.00903	3.9
96.96043	1.1
97.06587	0.9
98.20043	0.9
99.04514	1.1
99.99918	0.5
101.02447	5.9
108.02181	29.3
109.02979	0.7
113.02450	2.0
115.08753	0.8
123.04529	12.9
125.02442	0.9
126.50510	0.6
140.07204	1.1
143.03503	0.8
151.08795	2.3
152.01155	62.7
152.07191	0.8
153.01541	1.6
158.09335	0.8
161.04483	0.7
167.03497	100.0
167.10735	3.0
168.03882	2.9
168.11435	3.2
169.60138	0.6
173.04462	0.7
175.32561	0.6
191.05650	1.1
207.13942	1.4
209.11824	3.0
213.13034	0.6
215.19576	0.5
225.15005	2.9
227.12892	15.6
233.11794	1.2
239.15103	9.0
251.12901	2.3
257.16150	13.5
265.15643	1.8
269.13922	5.1
287.15002	13.5
311.15189	1.3
323.16013	3.1
329.16110	1.5
341.16925	1.5
353.16428	0.6
368.06592	0.6
371.16959	1.3
413.18314	0.7
431.19229	8.9
599.23541	9.9
599.34052	6.4
600.23041	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
60.92493	2.9
61.98830	100.0
69.18339	29.6
73.72291	2.7
148.55142	2.6
149.68564	2.6
183.07642	2.7
296.58600	2.9
308.11386	4.0
339.39233	2.9
353.93213	2.8
405.38132	2.7
528.17627	3.2
590.32465	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	12.8
58.99196	0.9
59.01365	1.2
61.98817	2.0
69.37703	5.7
69.38107	2.0
71.01349	1.3
72.00890	1.3
74.00669	1.1
74.02473	26.1
81.04575	2.0
82.02959	4.0
84.04521	1.2
86.01974	0.9
86.02484	9.7
86.06097	1.4
87.05643	5.8
97.04053	3.2
98.20628	1.5
98.70993	0.9
99.05646	23.0
100.00377	2.9
100.05902	0.8
101.07202	4.1
102.05596	4.9
107.06143	1.3
109.04080	5.3
109.07693	1.5
111.05617	2.2
112.04024	3.1
116.34235	0.9
123.05611	1.9
124.03997	1.2
125.03539	3.2
126.04299	1.1
127.05108	3.8
128.03540	72.9
129.03841	1.4
135.05661	6.8
139.05064	0.9
141.06682	3.5
143.04619	89.6
144.04918	1.5
145.06137	3.8
146.04607	9.6
149.07213	1.5
153.06706	6.0
156.35564	0.8
166.09836	4.1
167.04565	3.3
167.08253	6.1
169.06160	2.2
170.03328	2.0
171.04039	2.8
179.04620	23.0
181.06206	1.8
184.10858	1.2
184.86295	0.8
185.05600	2.7
192.07753	1.8
197.05609	3.8
209.11571	0.8
210.08804	22.0
223.13425	1.0
223.73184	1.0
228.09802	2.4
247.20493	0.9
254.07814	52.9
255.08182	1.5
272.08865	100.0
273.09225	4.3
291.19528	2.4
304.06049	1.2
306.07736	1.1
325.18433	7.5
469.23660	5.7
580.26929	4.7
581.27240	1.2
598.27777	37.0
599.28168	4.0
609.18982	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	598.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02970	8.0
59.54756	0.5
66.03484	1.3
70.02971	0.6
72.00904	1.1
74.02467	16.2
80.05106	0.5
80.96769	0.5
81.04590	1.3
82.02980	1.8
84.04539	0.7
86.02477	7.2
86.06110	1.6
86.99084	1.4
87.05633	3.8
88.04016	0.8
90.00187	1.4
91.69202	0.5
95.02503	0.6
97.04065	2.0
99.05631	15.0
101.07193	2.1
102.05609	2.1
107.06129	1.3
109.04073	3.4
109.07729	0.5
111.05618	1.0
112.04042	1.5
112.12904	0.5
116.01752	1.0
120.01252	1.1
123.05667	2.1
124.04021	1.3
125.03568	1.4
126.01940	0.8
127.05136	2.5
128.03535	42.9
131.04584	1.0
135.05650	5.3
136.93553	0.5
141.06760	3.2
143.04619	55.9
144.01224	0.8
144.04951	0.7
145.06183	1.8
146.04582	5.4
153.06697	3.4
160.00732	15.2
163.20537	0.5
164.29741	0.5
166.09862	2.6
167.04579	4.8
167.08224	2.6
170.03398	0.6
171.07851	0.9
177.03369	5.9
179.04610	13.9
181.06186	1.6
185.05647	2.1
192.07806	1.6
193.06129	0.5
197.05672	2.3
198.08789	1.0
210.08821	11.7
228.09914	1.3
231.04486	0.9
242.07735	1.3
254.07797	18.1
255.08093	0.8
272.08856	31.6
273.09091	0.9
284.00223	0.5
288.06586	9.5
288.09445	1.0
306.07632	100.0
307.07858	4.2
417.95151	0.6
469.24036	0.6
499.58539	0.7
524.10254	0.6
598.28009	8.3
599.28632	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	598.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02978	6.3
59.01389	1.3
61.98832	8.5
64.75564	1.0
64.93303	0.8
71.01389	1.0
71.52025	1.3
71.52400	1.4
72.00915	1.0
72.67640	0.9
74.02480	15.3
82.02999	1.4
84.04571	1.0
85.02971	1.1
86.02486	5.1
86.06109	1.2
86.99117	1.7
87.05640	3.7
90.00217	1.3
96.96021	3.8
96.96973	1.4
97.04067	2.4
99.05645	14.7
101.07214	1.5
102.05605	2.9
109.04066	1.6
116.01793	1.3
117.63743	0.9
123.05710	1.1
124.04043	1.2
125.03559	1.2
127.05164	2.6
128.03546	37.2
135.05649	4.1
136.81358	0.9
141.06688	3.5
143.04625	47.2
145.06238	1.4
146.04605	4.5
153.06700	3.6
160.00737	15.5
166.09874	1.5
167.04597	4.2
167.08208	2.6
176.18785	1.1
177.03366	4.2
179.04616	8.3
181.06181	1.2
185.05630	2.2
191.05792	1.5
197.05721	2.4
210.08852	10.8
231.04396	1.1
254.07819	18.4
257.13055	1.3
258.13379	1.7
272.08893	29.7
273.09061	1.1
288.06622	10.1
306.07669	100.0
307.07919	5.7
370.48755	1.2
427.04791	1.1
437.18939	2.9
459.45706	1.0
587.73840	1.0
593.86884	1.1
598.23462	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	597.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65575	0.5
55.01864	0.6
57.03432	0.7
59.01382	7.1
61.98816	0.8
65.36272	0.4
68.99570	0.5
71.01385	6.0
71.53507	0.7
72.99306	5.9
73.02943	1.8
75.00876	2.4
83.01386	1.9
85.02946	3.7
86.00077	0.9
87.00903	0.6
89.02435	0.8
95.01380	0.7
96.96015	0.6
99.00883	1.0
101.02451	10.1
111.00824	0.4
113.02460	1.1
120.13511	0.5
162.32268	0.4
170.51770	0.4
256.47394	0.4
278.04782	0.5
351.75220	0.4
406.23309	0.5
435.29697	5.2
579.33392	2.1
579.42029	0.5
595.81873	0.5
597.34906	100.0
598.35284	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	597.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62156	0.2
59.01380	0.8
61.98827	8.0
67.46944	0.2
70.16166	1.1
71.01376	0.7
71.89078	0.2
81.03450	11.5
83.05020	35.1
84.05332	0.3
85.02953	0.3
89.02469	0.4
100.07677	5.2
101.02430	0.7
101.46670	0.2
108.04570	0.3
113.02446	0.3
125.02433	0.3
126.05595	0.8
127.03992	0.5
182.15549	0.3
191.05632	0.3
199.13351	3.2
199.18141	7.3
207.15070	0.8
224.17706	0.4
225.16052	8.6
226.14380	0.3
226.16383	0.5
243.17101	19.4
244.17583	1.2
244.19972	0.3
269.14990	1.2
280.61905	0.2
309.21793	1.0
340.08698	0.3
353.20773	6.4
354.21213	0.5
397.13455	1.1
415.14572	0.5
425.35345	0.3
433.31851	0.4
451.32901	2.0
469.33896	12.5
470.34314	0.9
535.38147	0.3
579.37640	2.7
597.38647	100.0
598.38953	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	597.349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	2.7
57.03437	1.7
58.00607	0.5
59.01381	13.3
59.28732	0.5
59.85333	0.4
60.99723	0.3
61.98829	6.4
69.03484	0.5
69.24493	0.5
69.24783	4.3
71.01385	18.7
72.99295	1.6
73.02951	8.1
75.00856	0.9
78.75877	0.4
79.19743	0.4
83.01398	5.5
84.02166	0.4
85.02952	13.4
86.00098	1.2
87.00873	1.8
89.02444	1.8
93.03455	0.5
95.01402	2.2
95.98238	0.4
96.95983	0.8
97.02954	0.9
99.00879	3.7
101.02448	18.9
111.00894	6.0
113.01717	0.6
113.02456	7.0
113.06068	0.8
124.94640	0.5
129.01915	1.2
141.01959	1.0
159.02966	1.6
161.04559	1.7
273.24506	0.7
317.95404	0.5
435.29651	11.5
436.29813	1.1
467.72098	0.5
519.47217	0.5
597.34912	100.0
598.35229	11.3
614.95721	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3043
Annotation	Cinnafragrin D
Peak:m/z	Relative Intensity
57.58768	0.9
58.98139	0.9
59.01363	3.2
61.98823	1.2
70.08870	4.1
73.07497	1.0
78.95905	65.0
91.88535	1.0
94.85118	1.0
96.31134	0.8
96.96964	10.9
103.65560	0.8
152.99585	100.0
153.99940	1.3
168.84741	0.8
171.00641	2.2
223.00159	9.1
241.01178	25.4
259.02090	1.3
269.03137	1.2
281.24860	73.6
282.25204	3.8
315.04874	16.8
464.35840	1.1
597.30396	84.8
598.30603	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	597.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.2
57.03448	1.4
57.75925	0.2
58.00599	0.4
59.01379	10.2
59.98512	0.3
61.98820	0.7
67.40205	0.2
69.03448	0.5
70.12229	0.2
71.01381	28.0
71.53494	0.2
71.53854	0.2
72.01719	0.3
72.99304	0.6
73.02946	3.8
75.00887	0.2
83.01389	2.2
85.02951	7.2
86.00110	0.3
87.00867	0.7
89.02441	3.5
95.01392	1.3
97.02943	0.4
99.00877	2.1
99.04521	0.4
101.02441	6.7
107.43119	0.2
111.00896	0.3
113.02451	4.4
115.00369	12.1
119.03504	0.8
125.02400	0.2
125.52963	0.2
129.01939	1.1
159.02881	0.3
161.04570	0.2
167.26370	0.2
168.68166	0.2
173.21857	0.2
197.08188	0.2
215.70891	0.2
225.11528	0.2
245.50847	0.2
301.21747	0.7
303.23279	7.2
304.23508	0.5
319.22748	2.9
320.23221	0.2
481.28033	100.0
482.28384	9.8
597.28711	1.0
598.29047	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55072	1.2
59.01379	56.9
61.98834	10.6
71.01366	3.2
71.54111	1.9
74.02467	1.6
79.95730	1.7
80.11564	1.2
85.02952	2.0
88.04030	1.4
89.02434	2.1
93.03439	1.9
96.95998	3.2
101.02424	1.6
113.02514	1.4
119.05010	5.2
119.50278	1.4
120.99635	3.9
121.02943	5.7
122.03708	4.4
128.03499	1.4
135.04489	1.3
146.03709	8.0
149.01289	2.6
149.02438	42.1
150.03223	34.3
156.01476	1.7
161.04515	1.9
161.06076	2.6
164.04796	17.3
165.05560	49.9
166.05936	1.7
179.07130	15.9
180.04268	3.1
186.70961	1.2
191.05577	5.7
195.06621	42.9
196.06943	2.9
199.09729	2.6
268.07254	1.6
283.09671	1.7
292.57397	1.4
297.07648	2.9
312.10052	20.1
327.12350	100.0
328.12634	8.0
346.23117	1.3
375.14545	24.4
376.14560	2.2
462.22342	1.4
553.33582	2.4
582.57990	1.5
597.23792	4.0
598.32416	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	596.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.0
56.49658	0.5
57.03438	1.0
58.00599	0.7
59.01379	14.0
61.98813	1.3
67.14534	0.5
69.03436	0.5
69.46027	3.2
71.01384	31.2
72.01704	1.0
72.99299	0.6
73.02937	1.9
78.33312	0.5
83.01369	2.0
84.02151	0.6
85.02518	0.6
85.02958	6.4
86.03262	0.6
88.04041	62.8
89.02453	6.6
89.04383	0.5
95.01369	1.7
98.19888	0.7
99.00858	0.9
101.02438	8.1
113.02444	6.2
114.01980	1.2
114.02748	1.2
115.00375	17.3
115.02919	0.9
119.03503	2.8
124.01624	0.8
125.02441	0.6
129.92523	0.6
132.03026	28.3
133.03334	0.9
143.03513	1.2
158.54988	0.5
161.04544	1.3
173.51125	0.6
179.05638	0.8
231.43819	0.5
332.20978	0.6
413.45590	0.5
454.11475	0.6
473.35846	0.6
480.29666	8.4
481.28036	13.8
482.28378	0.7
552.32007	4.2
553.31628	0.7
578.29858	1.6
596.30731	100.0
597.31061	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	595.3335
Annotation	L 681512-2
Peak:m/z	Relative Intensity
55.01868	1.5
57.03439	0.9
58.00610	0.7
59.01377	10.7
61.98840	1.1
65.79224	0.5
71.01006	0.9
71.01384	14.0
72.99308	0.8
73.02953	4.0
74.12535	0.5
81.03442	0.6
83.01396	2.0
85.02942	6.0
85.80281	0.5
87.00871	1.8
89.02441	3.3
91.08948	0.5
92.25146	0.5
95.01371	1.5
97.02986	0.8
99.00887	1.1
100.43488	0.5
101.02444	8.2
111.00894	0.8
113.02466	3.1
119.03544	0.9
125.02418	1.4
130.27493	0.6
161.04561	1.1
163.49263	0.6
164.45114	0.6
189.13123	0.5
191.05608	0.6
203.33806	0.6
229.59793	0.6
253.21622	1.2
266.82416	0.7
271.22781	18.6
271.25760	0.9
272.23102	1.3
339.48175	0.5
415.27127	3.3
433.28018	24.6
434.28448	2.6
449.27426	1.6
450.05881	0.5
577.32385	0.8
595.33331	100.0
596.33716	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	595.2886
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
69.49777	1.2
69.50177	2.6
75.73566	0.8
78.95902	73.2
96.96964	13.8
98.20632	1.2
124.61177	0.7
150.97978	1.2
152.99588	100.0
153.99947	0.8
171.00656	3.6
171.86696	0.7
174.03391	0.7
219.58470	0.7
223.00131	10.4
241.01187	24.4
242.01518	0.9
259.02243	0.8
279.23276	62.0
280.23566	4.2
315.04871	18.6
370.41763	0.7
492.31528	0.7
545.16241	0.7
590.00610	1.1
595.28864	91.0
596.29034	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	595.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
61.80605	1.5
65.79247	1.7
67.01903	2.1
69.76582	4.6
69.76993	4.3
71.91099	1.6
79.01875	2.0
79.44393	1.5
81.03465	3.1
82.84215	1.4
83.01381	4.3
93.03469	7.8
95.01384	2.8
95.05044	1.9
97.02943	5.9
107.01405	8.4
107.05036	2.5
109.02924	3.9
111.04501	3.2
113.02450	2.1
119.05034	47.0
121.02959	4.4
123.00879	3.7
123.04501	4.5
125.02444	8.5
133.03018	2.8
137.02432	4.0
139.04019	7.0
143.05016	5.5
145.03023	7.9
147.04529	2.9
149.02481	3.4
150.03171	2.0
151.00415	7.6
155.03563	1.9
161.06078	2.8
163.00325	4.0
163.03987	5.5
165.01924	6.1
165.05583	2.6
167.03503	11.7
171.36142	1.7
173.04613	1.8
177.01984	5.3
177.05641	2.8
179.03482	4.3
185.02444	2.3
185.41547	1.4
187.04013	8.3
190.99945	2.1
191.03668	3.7
191.05597	3.7
191.77838	1.6
193.01433	14.2
197.04553	2.6
199.07764	2.0
203.03389	1.5
205.01448	8.8
207.02980	7.4
209.04594	6.2
219.02946	4.6
221.32230	1.6
223.02515	2.6
227.07062	2.4
235.02480	15.7
239.05579	2.9
241.08759	2.6
243.06660	2.2
245.08325	2.1
261.04086	3.2
265.03549	6.4
267.06549	1.9
271.06161	5.6
283.06250	4.4
297.07526	2.2
313.07193	18.8
314.07706	2.6
325.07254	8.7
337.06805	2.2
343.08148	5.5
355.08234	100.0
356.08499	6.1
360.61844	1.6
366.62231	1.7
367.08249	5.7
385.09259	82.8
385.80215	1.8
386.09634	5.6
397.09326	4.4
415.10342	25.9
421.08310	2.7
457.11304	9.7
475.12466	39.6
476.13016	3.2
487.12454	7.2
505.13293	9.4
577.15765	3.6
595.16766	83.3
596.17029	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	595.1305
Annotation	Peltatoside
Peak:m/z	Relative Intensity
51.32159	0.6
56.97797	0.7
59.01369	1.6
61.98829	1.6
65.00324	0.8
70.60133	1.7
70.60480	0.5
86.66456	0.6
107.01405	1.0
108.02173	1.3
109.72184	0.6
121.02943	2.3
135.00961	0.6
145.11116	0.6
148.01636	1.8
151.00371	4.8
164.01207	0.7
178.99832	4.1
199.04002	0.8
209.04546	1.1
215.03462	1.0
226.02681	1.4
227.03485	2.7
243.02960	7.9
254.02184	2.2
255.02968	25.6
256.03293	1.9
271.02466	50.4
272.02911	4.6
273.03931	0.8
299.01923	2.1
300.02731	100.0
301.03336	16.4
318.63257	0.7
595.13000	64.4
596.13275	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	593.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	0.3
54.78501	0.2
55.01876	2.8
57.03448	7.7
58.00591	0.9
59.01381	15.7
67.01890	1.6
68.99815	1.3
69.03458	6.7
71.01381	75.8
71.53561	0.3
71.53934	0.3
72.01714	1.2
72.99314	3.6
73.02944	11.6
75.00864	0.7
78.98587	0.3
79.95737	0.3
80.96526	2.3
81.03454	1.8
83.01385	10.7
83.05004	0.6
84.02181	1.9
85.02950	62.7
86.00095	3.6
86.03297	0.7
87.00877	8.0
87.04532	0.5
89.02439	10.5
93.03455	0.4
94.34387	0.2
95.01386	20.8
96.01716	0.5
97.02950	11.9
99.00877	11.0
99.01529	0.5
99.04517	0.7
101.02441	17.3
102.02759	0.3
107.05044	0.4
109.02956	1.0
111.00203	0.4
111.00867	2.0
111.04502	0.6
112.01661	3.3
113.02448	100.0
114.02754	1.7
115.04021	2.3
119.03506	2.0
121.02988	0.3
123.00877	1.4
123.04525	0.4
124.01661	22.0
125.02453	21.6
125.03172	0.3
126.02759	0.3
127.03952	0.6
129.01958	0.6
131.03505	0.5
137.02490	0.5
139.00378	1.0
141.01883	0.7
142.02711	1.9
143.03497	16.4
144.03810	0.4
155.03592	0.5
159.02972	1.3
161.04552	7.0
161.05878	0.4
164.98647	0.3
165.05559	0.3
167.03407	0.3
168.64139	0.2
179.05646	0.4
181.05095	0.3
185.04543	0.8
185.06107	0.2
214.09842	0.2
217.19556	0.5
225.00716	0.6
240.66852	0.3
287.23718	0.3
305.24817	0.9
362.03635	0.3
369.27704	0.3
385.27200	0.4
397.27307	1.1
449.29059	7.1
450.29333	0.4
467.30109	1.5
491.30380	0.7
519.29510	2.5
520.29584	0.4
529.31885	0.6
533.31128	0.4
545.31433	0.5
547.32709	0.5
548.32874	0.2
557.30847	1.5
563.32281	0.5
575.32520	1.4
593.33429	30.4
594.25830	0.5
594.33905	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	593.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.8
57.03439	3.8
59.01383	70.2
61.98833	39.9
69.44632	10.7
69.45042	3.4
71.01379	78.0
72.99322	4.7
73.02948	27.1
75.00868	2.8
81.03418	2.4
81.04784	2.3
83.01371	10.1
85.02953	31.8
85.43276	2.1
86.00819	2.0
87.00890	10.4
89.02449	32.9
93.03470	4.7
95.01395	6.7
97.02959	5.4
99.00880	9.3
101.02444	69.8
103.03993	4.6
105.60814	2.1
111.00863	3.9
113.02444	31.6
115.04009	2.8
118.19987	2.2
119.03529	13.9
119.05022	2.9
125.02421	11.9
131.03497	4.4
143.03508	6.6
151.11267	2.4
159.02968	3.8
161.04546	22.7
163.04048	3.6
163.06128	13.6
165.12933	2.2
173.04579	5.5
177.09120	6.0
179.05548	6.1
180.14099	2.1
184.14642	2.5
191.05614	36.7
195.10248	71.1
195.11964	4.8
196.10594	2.6
205.07161	4.2
209.11792	3.0
209.15501	3.7
221.00870	2.9
221.06664	2.5
227.03535	5.2
229.07303	2.6
235.08156	4.5
252.83058	2.4
255.02966	11.9
269.13901	8.8
284.03314	17.4
285.04056	17.8
371.20798	31.6
372.20816	2.3
397.13486	37.3
398.14215	2.6
415.14578	12.8
431.19153	2.8
533.26080	100.0
534.26257	8.7
565.00555	2.3
593.15033	18.6
593.25360	8.8
594.15833	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.8
62.45222	0.5
62.96415	0.8
66.69638	0.6
71.22475	0.7
73.63324	0.7
78.95905	77.3
84.12965	0.6
96.96961	16.0
98.25918	0.8
150.33719	0.7
152.99585	69.5
162.34683	0.8
164.78621	0.6
171.00574	0.9
192.39745	0.7
214.20433	0.6
223.00157	2.6
241.01190	34.4
242.01656	0.7
262.21774	0.7
277.21722	51.5
278.21970	3.7
315.04852	11.6
399.63660	0.7
413.20963	7.8
431.21884	1.1
593.27307	100.0
594.27612	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	593.273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.4
64.91141	0.8
65.34599	0.8
70.84002	1.6
75.17873	0.8
78.04570	0.8
78.95905	67.9
96.96960	11.8
98.20276	1.2
104.41287	0.9
149.35643	0.8
150.97951	1.8
152.99583	100.0
160.06168	0.7
171.00615	2.0
223.00153	9.0
241.01180	24.5
242.28278	0.8
259.02292	1.4
277.21716	44.7
278.21982	2.5
315.04855	19.5
316.05225	1.0
333.05914	2.3
568.69177	0.9
593.27283	82.7
594.27606	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	593.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
61.42868	0.6
69.03472	0.7
69.10475	0.7
72.71969	0.7
77.20095	0.8
78.95905	63.6
83.84407	0.7
96.96957	14.0
125.97081	0.7
150.98032	1.1
152.99586	100.0
171.00641	2.4
173.51970	0.7
223.00096	10.7
223.74991	0.7
241.01192	26.9
258.74518	0.8
259.02231	1.9
277.21719	48.9
278.22125	3.3
315.04877	19.6
488.08344	0.8
593.27295	91.5
594.27692	10.1
611.89923	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44911	0.4
54.55555	0.5
57.03429	1.8
59.01378	5.6
61.98830	3.9
62.44416	0.4
63.59696	0.4
63.96217	1.1
67.01859	0.5
68.99786	0.5
69.03444	2.1
70.40410	1.4
71.01382	23.3
72.99287	0.8
73.02950	4.3
75.00879	0.5
78.95884	0.6
78.98586	4.9
79.95733	10.9
80.96514	58.9
81.03442	0.9
83.01405	3.1
85.02946	17.1
86.00078	0.8
87.00882	4.3
89.02435	2.3
94.98089	13.3
95.01389	5.7
96.96015	0.9
97.02949	4.3
99.00873	2.9
101.02434	7.5
106.98093	2.6
111.00890	2.4
112.01642	1.0
113.02448	22.4
115.04041	0.7
115.90567	0.5
119.03428	0.8
122.97601	6.1
124.01665	5.3
125.02446	8.8
127.04017	1.1
134.97585	4.5
136.99147	1.1
143.03493	4.0
146.97566	0.5
148.99138	4.7
152.98633	6.4
159.03026	0.5
161.04526	1.2
164.98618	9.9
168.46561	0.4
182.99629	2.7
206.99686	3.7
225.00723	16.6
235.17072	0.9
243.01738	1.6
275.20267	0.8
293.21088	1.3
294.21643	0.8
295.22690	0.6
299.04532	2.3
317.05539	0.5
369.30408	0.4
394.08237	0.4
440.77518	0.5
449.29031	1.2
481.28326	0.7
519.29218	1.6
593.26233	100.0
594.26642	11.0
594.35571	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2638
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
55.49649	0.5
57.03427	0.7
59.01376	1.6
61.98829	8.9
63.96222	1.1
67.99493	0.6
71.01381	7.8
71.53743	0.9
72.62271	0.6
73.02945	2.0
78.95895	1.1
78.98589	5.9
79.95729	8.4
80.96516	64.9
81.03463	0.7
85.02956	3.9
87.00874	2.4
89.02451	0.5
94.98080	15.2
95.01397	0.7
96.96016	1.9
97.02973	1.4
99.00884	0.7
101.02435	3.3
106.98094	2.7
111.84340	0.5
122.97579	5.4
125.02442	3.1
127.04011	0.8
134.97588	4.3
135.95163	0.6
136.99110	1.8
145.02966	1.1
148.99146	5.0
152.98611	6.2
159.67401	0.6
164.98624	9.1
181.86801	0.6
182.99666	2.4
206.99672	2.7
207.62715	0.5
225.00732	14.5
235.17010	0.8
243.01762	1.7
293.21271	0.6
299.04434	2.5
356.40698	0.6
395.28018	0.8
396.28085	0.7
431.24304	0.9
593.26294	100.0
594.26563	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	593.2639
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
55.23009	0.6
57.05645	0.6
59.01365	2.0
61.98828	12.1
63.96222	1.8
66.94384	0.6
69.31468	5.4
71.01385	8.7
73.02934	1.5
78.95899	1.6
78.98594	5.6
79.95733	23.8
80.96516	53.6
81.03456	0.9
81.50444	0.6
82.96090	1.0
85.02947	4.1
87.00866	1.9
93.03437	0.8
94.98083	12.4
96.95974	1.5
97.02928	1.0
98.20645	1.4
99.00906	0.8
101.02444	2.7
106.98061	3.1
113.02449	2.1
122.97588	5.1
125.02417	3.4
134.97565	3.0
136.99156	1.1
143.03506	0.7
148.99155	5.2
152.98593	5.2
152.99651	0.8
161.04555	0.8
164.98630	10.0
182.99640	1.1
206.99684	2.5
225.00723	15.4
243.01768	1.4
282.93817	0.7
293.21439	0.8
299.04324	3.2
399.92761	0.7
455.15875	0.9
495.19290	1.0
519.29193	0.9
520.30573	1.1
524.19562	0.7
593.26306	100.0
594.26489	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	593.1514
Annotation	Nicotiflorin
Peak:m/z	Relative Intensity
59.01380	9.8
60.44617	0.8
61.98834	11.0
65.00320	1.5
70.60599	1.7
71.01382	8.3
73.02943	2.4
83.01402	1.7
85.02953	3.0
87.00882	1.4
89.02441	5.2
93.03464	4.4
97.02975	0.7
99.00873	1.1
101.02451	7.1
107.01409	2.9
109.02990	1.3
113.02441	4.2
119.03506	2.0
119.05079	0.8
125.02460	1.4
135.00925	1.1
143.05006	0.7
151.00388	2.8
151.11285	1.1
153.72220	0.7
159.04517	1.7
161.02455	1.0
161.04567	1.9
163.00348	2.7
167.10747	1.1
169.06647	1.0
171.04501	1.0
173.04494	1.4
174.03253	0.7
176.04803	1.2
179.05505	0.8
183.04533	1.4
185.06111	2.4
187.03996	4.6
189.05611	1.2
191.05620	10.6
195.10260	11.4
197.06177	0.9
199.03958	1.4
207.13986	0.8
209.11832	1.0
211.03979	3.7
213.05544	1.5
215.03334	0.7
227.03491	35.4
228.03899	2.3
229.05086	12.9
229.07336	1.1
235.08269	1.3
239.03540	2.7
240.04205	1.0
241.05093	1.3
251.12915	0.9
253.09348	1.1
255.02974	64.8
256.03558	6.6
257.04578	6.7
267.02930	1.2
269.13910	4.1
284.00015	0.9
284.03265	65.7
285.04031	100.0
286.04419	6.1
327.04953	1.3
357.13684	1.1
371.20871	2.7
397.13574	6.4
415.14746	3.2
431.19135	1.8
533.25940	7.2
593.15118	94.0
594.15344	11.2
594.23615	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	9.8
60.44617	0.8
61.98834	11.0
65.00320	1.5
70.60599	1.7
71.01382	8.3
73.02943	2.4
83.01402	1.7
85.02953	3.0
87.00882	1.4
89.02441	5.2
93.03464	4.4
97.02975	0.7
99.00873	1.1
101.02451	7.1
107.01409	2.9
109.02990	1.3
113.02441	4.2
119.03506	2.0
119.05079	0.8
125.02460	1.4
135.00925	1.1
143.05006	0.7
151.00388	2.8
151.11285	1.1
153.72220	0.7
159.04517	1.7
161.02455	1.0
161.04567	1.9
163.00348	2.7
167.10747	1.1
169.06647	1.0
171.04501	1.0
173.04494	1.4
174.03253	0.7
176.04803	1.2
179.05505	0.8
183.04533	1.4
185.06111	2.4
187.03996	4.6
189.05611	1.2
191.05620	10.6
195.10260	11.4
197.06177	0.9
199.03958	1.4
207.13986	0.8
209.11832	1.0
211.03979	3.7
213.05544	1.5
215.03334	0.7
227.03491	35.4
228.03899	2.3
229.05086	12.9
229.07336	1.1
235.08269	1.3
239.03540	2.7
240.04205	1.0
241.05093	1.3
251.12915	0.9
253.09348	1.1
255.02974	64.8
256.03558	6.6
257.04578	6.7
267.02930	1.2
269.13910	4.1
284.00015	0.9
284.03265	65.7
285.04031	100.0
286.04419	6.1
327.04953	1.3
357.13684	1.1
371.20871	2.7
397.13574	6.4
415.14746	3.2
431.19135	1.8
533.25940	7.2
593.15118	94.0
594.15344	11.2
594.23615	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91026	0.2
56.84149	0.2
58.46300	0.2
59.01365	0.3
60.16167	0.2
70.83452	0.3
71.01386	0.7
71.86719	0.1
73.02927	0.2
75.06942	0.1
76.09425	0.2
77.03975	0.2
78.95900	0.2
78.98605	0.3
79.95741	0.5
80.96516	4.2
85.02937	0.2
86.02876	0.2
88.98801	0.7
91.01892	0.5
93.03479	0.2
94.98091	1.1
96.95995	0.1
98.20557	0.2
98.85708	0.2
101.02431	0.2
106.98090	0.2
115.17406	0.2
120.02158	0.8
121.02956	100.0
122.03291	2.6
122.97595	0.2
134.97545	0.2
136.01631	0.3
145.02942	0.2
148.99124	0.4
151.03925	0.2
152.98613	0.2
164.98631	0.6
165.01926	5.1
179.05026	0.2
180.05823	0.6
181.05031	0.3
181.06572	2.4
197.06075	1.8
199.07500	0.2
206.07558	0.2
207.04431	0.9
207.08098	0.3
207.32399	0.2
209.04543	59.4
210.04892	2.2
223.04057	0.2
225.00713	1.0
225.05540	1.5
251.07184	0.3
257.09637	0.6
285.09103	0.2
299.04709	0.2
301.08878	0.3
313.07205	1.6
314.07550	0.3
329.08090	0.4
341.20941	0.3
357.06116	0.7
373.10632	0.2
383.07678	1.2
401.08655	0.2
417.09866	1.4
503.25922	0.5
505.11304	3.3
506.11536	0.3
549.01697	0.2
549.10358	7.0
550.10809	0.8
593.12878	9.1
593.26221	6.4
593.35620	0.4
594.13330	1.1
594.27002	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75548	1.0
57.09113	1.2
61.98832	100.0
62.48160	1.0
65.50524	1.3
71.54618	1.8
92.95629	1.1
95.87900	1.1
115.31207	1.1
116.36582	1.2
138.66722	1.1
161.02451	1.5
194.26279	1.3
205.98970	1.4
220.20619	1.2
235.66710	1.3
302.34903	1.3
340.57623	1.2
448.91220	1.3
459.61160	1.3
529.31696	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	592.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	3.1
59.01379	23.2
61.15835	1.0
61.98828	42.0
63.71292	1.2
69.20882	2.3
69.21281	9.0
71.01386	2.5
78.95895	14.0
79.95719	2.7
80.96521	15.6
85.02935	2.7
87.00858	1.2
94.98078	3.4
96.96025	1.5
101.02427	2.7
107.59438	1.1
113.02476	2.8
113.09731	15.0
121.02885	2.2
121.10184	2.8
124.01709	1.8
125.02441	1.2
134.97523	1.3
148.99083	1.8
152.99571	4.8
164.98610	2.8
165.01886	1.8
167.10722	2.1
168.04303	2.6
171.10223	6.8
171.11508	1.2
177.12878	2.0
179.10831	1.8
183.13977	2.0
195.13925	1.7
224.06966	1.5
225.00706	3.1
230.35075	1.1
242.07941	5.3
249.22203	2.0
275.20157	11.5
276.20499	1.2
293.21219	100.0
294.21561	7.0
307.22824	10.5
308.22919	1.7
323.06302	1.2
363.65167	1.2
518.28864	50.9
519.28931	7.8
532.30377	5.3
547.37988	1.2
592.25232	2.1
593.26166	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.92721	1.0
61.98830	1.7
67.84094	0.9
130.42014	1.0
443.22827	1.6
445.19962	1.1
457.48334	1.1
459.21930	1.9
471.26041	1.9
482.20206	2.3
485.19891	2.2
487.25128	3.1
497.23526	3.3
499.21216	3.4
500.22220	12.7
501.22473	1.5
504.21628	1.2
515.24536	100.0
516.25061	10.0
518.23334	1.3
536.10217	1.2
559.23206	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84535	0.7
55.01871	2.4
57.03439	2.3
58.00595	2.6
59.01382	49.9
61.98833	6.6
69.03455	0.8
71.01384	44.2
71.54271	0.7
71.54684	0.8
72.99326	3.4
73.02952	5.7
75.00877	0.6
83.01391	5.4
85.02955	13.9
86.57709	0.7
87.00878	3.2
88.98800	0.7
89.02444	32.6
90.37749	0.7
93.03482	1.6
95.01392	3.6
96.96046	1.3
97.02923	0.8
99.00900	3.3
99.51839	0.8
101.02443	33.1
107.49490	0.7
110.27399	0.6
111.00874	1.4
113.02454	15.8
119.03497	16.9
123.08208	1.0
129.01941	0.7
131.03487	2.8
143.03500	2.3
149.04541	0.9
151.07610	0.7
159.03004	1.6
159.10301	4.9
161.04532	4.9
173.04576	2.2
179.05594	4.0
191.05608	6.0
221.97305	0.7
225.11302	0.9
253.09396	1.1
261.72540	0.7
370.39627	0.8
399.20102	1.5
411.23950	5.3
429.24927	17.1
430.25354	2.5
573.29309	1.2
591.30298	100.0
592.30688	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	592.297
Annotation	Unknow
Peak:m/z	Relative Intensity
61.38778	1.0
61.98830	12.5
62.29887	0.7
69.63315	0.9
71.01381	1.9
72.99339	1.0
75.00873	2.2
78.95898	8.1
79.95734	3.8
85.02961	1.3
94.45012	0.8
96.96014	100.0
96.96918	9.2
98.77417	0.8
113.02418	2.2
124.00670	0.8
152.99573	3.4
180.99600	0.9
196.29665	0.8
198.94818	1.0
217.93767	0.9
229.77080	1.2
243.22734	0.9
243.39534	0.8
248.42686	0.8
261.25568	1.0
279.23267	11.4
280.23590	1.0
507.27109	1.9
529.30115	15.7
530.30676	2.2
593.13049	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	591.261
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
58.07497	0.3
70.58971	0.6
87.71688	0.3
106.06633	0.8
111.95210	0.3
167.58488	0.3
218.74623	0.3
225.11028	0.4
239.77759	0.3
291.11295	0.3
341.83319	0.3
396.17239	0.7
404.93912	0.3
429.16763	0.4
435.39252	0.3
443.23013	1.7
444.19366	0.5
445.19351	1.8
447.25708	0.6
455.22052	0.8
456.23187	0.8
457.20499	0.6
458.20920	0.8
459.21930	2.1
460.22556	0.4
462.20847	0.5
467.18747	0.4
470.17606	0.5
471.21204	1.3
471.25702	2.4
472.23462	1.7
473.23352	1.2
482.21356	1.6
484.18884	0.4
485.19806	1.9
486.19455	0.4
487.25458	3.0
488.25024	0.3
497.23596	4.0
498.23703	0.5
499.21338	4.5
500.22134	12.8
501.22458	2.0
503.20740	0.6
504.21539	0.5
513.22614	0.7
514.23602	1.0
515.24506	100.0
516.24811	14.9
518.22839	0.4
519.24078	0.8
547.27222	0.6
559.23389	4.5
560.23969	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00556	2.3
59.01381	100.0
61.98827	11.5
67.73914	2.0
71.01385	61.5
71.52612	2.6
72.99300	6.2
78.95893	5.9
83.01360	3.7
83.05026	3.7
85.02957	9.8
87.00896	2.7
89.02446	70.3
95.01390	3.7
96.95997	4.9
101.02450	38.6
108.08190	4.4
113.02454	20.3
119.03500	39.2
126.09251	6.6
131.03516	3.3
143.03476	6.0
149.04466	3.4
152.99492	2.5
161.04532	6.3
171.86661	2.2
179.05568	13.3
225.22212	15.6
242.41826	2.2
246.80194	2.2
253.21800	3.0
271.22708	7.6
277.21716	6.0
296.25742	6.1
338.37561	2.1
380.31891	2.6
392.31866	5.8
410.32779	46.6
411.33032	5.1
428.33682	17.6
429.33914	2.4
435.14420	2.2
466.06287	2.2
505.26083	4.1
590.39075	70.7
591.39746	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	590.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00377	0.4
53.67697	0.4
59.01372	2.2
61.98830	100.0
69.77001	0.7
69.77405	1.8
71.01389	1.1
88.98826	1.0
89.02454	0.7
93.03468	0.7
98.20632	0.8
101.02472	0.8
106.82981	0.4
107.96588	0.5
119.03519	0.5
120.01242	2.9
121.21332	0.4
125.57899	0.5
133.02896	0.5
135.04533	0.4
143.04665	0.9
173.04599	0.8
180.11494	0.7
188.93382	0.4
189.07063	1.0
191.05652	1.8
240.29620	0.4
244.59644	0.5
250.74255	0.5
392.20273	0.5
436.92365	0.5
486.78265	1.5
517.72437	0.5
590.28931	0.5
591.29999	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92240	0.9
57.03440	1.2
59.01381	83.9
60.01715	1.0
60.80688	1.1
61.98820	4.8
67.18285	0.9
71.01379	12.3
72.99285	0.9
73.02949	10.6
73.31425	1.0
75.00873	1.1
83.01370	4.0
83.84793	1.0
84.83188	1.0
85.02980	4.8
89.02447	6.8
89.21294	1.1
90.96468	1.1
95.01360	1.1
96.96006	1.5
99.04511	2.8
101.02450	13.5
106.21307	1.1
113.02448	6.5
119.03483	3.0
119.95264	1.0
121.02991	1.9
125.02452	1.0
127.41865	1.0
128.03540	0.9
131.03496	1.0
134.04723	3.2
135.04524	1.0
140.07159	1.2
145.06158	0.9
161.04485	1.6
165.12813	2.1
173.04503	1.4
191.05664	2.1
207.13925	5.7
209.04596	1.1
209.11757	7.1
225.14963	10.8
227.12878	48.7
228.13181	2.2
251.12964	2.5
269.13943	14.4
287.14990	52.5
288.15329	2.6
293.14096	1.5
302.12466	1.3
311.14923	1.6
320.13403	1.2
329.15878	4.6
359.17123	3.5
368.01556	1.0
371.17050	1.6
389.18146	14.3
390.18411	1.4
431.19220	1.6
449.20248	22.4
450.20108	1.6
455.16794	2.4
488.89304	1.2
572.27429	2.5
590.28168	100.0
591.28510	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	590.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13464	0.3
51.97906	0.3
52.19694	0.3
54.23331	0.3
57.43962	0.3
59.01369	0.9
61.98833	2.8
66.34995	0.3
70.64754	0.3
71.01372	0.6
73.08803	0.4
80.53073	0.3
80.75124	0.4
85.06584	0.4
88.98788	0.6
89.02440	0.5
98.19945	0.8
120.01253	100.0
121.01623	0.8
152.43930	0.3
197.11966	0.7
543.49341	0.4
591.26459	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	590.282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	5.8
61.98833	78.0
70.39382	9.0
71.01386	35.7
72.26733	2.2
72.99304	3.3
75.00878	10.4
78.95889	5.1
85.02962	17.8
86.03693	2.2
87.00865	3.1
89.02428	3.8
95.01402	2.3
99.00904	5.9
113.02467	17.8
144.17603	2.2
152.99554	6.1
215.77339	3.1
267.07336	5.7
277.21756	35.7
278.22104	3.4
279.23352	11.8
375.73508	2.5
527.28650	100.0
528.28888	14.0
562.10876	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	589.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.0
57.03432	3.2
58.00583	1.1
59.01380	30.4
61.98819	4.8
62.08404	0.7
68.94474	0.7
69.03452	0.9
70.06991	1.2
70.07407	2.7
71.01383	46.4
72.99297	2.5
73.02946	14.1
75.00854	1.1
83.01392	6.1
85.02946	25.0
86.00117	1.0
86.02451	1.0
87.00872	3.2
88.98792	1.0
89.02441	11.7
95.01389	3.7
96.95993	1.1
99.00887	6.0
101.02440	29.8
101.03108	1.7
103.04073	1.1
111.00871	3.7
113.02448	17.4
119.03503	4.0
120.01250	2.4
129.01924	3.3
131.03577	1.0
143.03487	1.7
143.07057	0.9
159.02966	2.2
161.04570	6.9
163.06133	1.4
171.10245	2.7
175.29121	0.7
183.96341	0.8
205.07150	0.9
209.11745	1.0
261.77823	0.8
329.60712	0.9
427.26987	26.7
428.27277	2.6
502.29300	2.3
529.26617	2.0
589.32251	100.0
590.32599	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	588.3213
Annotation	O-12'-Methyl-alpha-ergokryptine
Peak:m/z	Relative Intensity
52.41648	0.8
55.01868	2.4
57.03450	1.0
59.01377	17.3
61.98824	11.0
70.24223	3.4
70.78298	0.7
71.01379	23.1
72.99289	1.2
73.02936	6.9
83.01360	3.1
85.02955	11.3
86.02477	10.0
87.00886	2.4
88.98801	0.9
89.02448	8.7
95.01380	2.3
96.95969	1.0
99.00883	2.6
101.02444	13.9
113.02457	8.3
119.03496	2.3
123.96966	1.0
129.01868	1.3
135.82950	0.9
149.04468	1.2
171.10175	1.5
250.17485	0.8
294.34192	1.0
323.24121	3.7
339.23630	12.1
340.23996	1.3
388.92636	1.2
405.03024	1.1
438.24481	0.8
459.13400	1.0
501.28845	29.5
502.29288	2.8
529.26251	1.1
588.32104	100.0
589.32562	14.1
598.86365	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	586.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
61.11180	5.9
61.98827	100.0
64.83047	6.8
74.73228	6.6
98.20672	13.3
109.98092	6.2
131.12350	6.2
135.87170	5.5
171.10165	7.2
185.68112	5.3
320.16016	7.4
424.29288	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	588.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	6.9
59.01377	61.6
61.93586	1.0
61.98824	9.2
71.01387	7.8
71.52721	1.7
73.02943	3.8
83.05015	2.8
85.02948	15.6
87.00874	3.7
89.02447	2.5
93.03451	1.8
96.96002	3.2
97.02923	4.3
99.04503	2.5
101.02457	7.2
113.02425	2.3
128.03551	1.9
137.09595	1.3
138.05652	1.3
150.03162	1.3
161.13467	1.1
163.11150	1.6
165.05626	1.5
165.12816	19.1
181.12379	2.4
189.12827	1.5
191.05550	2.5
191.14667	1.1
205.12202	1.4
207.13879	15.1
209.11797	28.4
225.14949	7.9
233.11841	2.5
251.12869	10.5
269.13925	100.0
270.14294	5.3
293.13803	2.1
311.14984	25.9
312.15387	2.3
341.15933	10.2
371.12402	2.1
371.17090	42.1
372.17526	3.1
391.25589	1.1
401.92865	1.1
431.19174	43.6
432.19357	4.2
570.16382	1.4
570.25500	40.0
571.25787	5.5
588.26538	64.4
589.27167	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	586.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94590	0.6
53.20362	0.5
55.01863	1.5
55.96237	0.4
57.03426	0.8
58.00584	1.5
59.01382	24.6
61.98817	2.3
71.01383	21.3
71.54140	0.7
72.99285	2.0
73.02932	2.3
82.80308	0.5
83.01383	2.2
85.02963	6.9
87.00864	1.5
89.02451	11.3
95.01401	1.8
97.06620	0.6
99.00863	1.3
100.98330	0.6
101.02441	13.6
113.02444	7.5
115.07632	1.5
119.03485	3.1
156.10324	2.3
158.11887	6.5
161.04536	1.2
167.14413	6.7
172.05417	0.6
173.04456	0.6
179.05551	0.6
184.60306	0.6
211.13406	9.0
223.16933	0.6
229.14452	5.1
241.18054	0.7
265.18188	3.8
265.21539	2.9
270.20554	0.5
272.18765	2.9
283.22647	0.7
308.22247	1.3
309.20648	2.8
320.17114	1.8
434.23752	3.0
488.28546	5.5
489.29321	0.6
563.39001	0.5
568.35034	1.4
586.35925	100.0
587.27240	0.9
587.36261	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	586.3057
Annotation	Nummularine R
Peak:m/z	Relative Intensity
55.19164	0.3
55.27037	0.3
59.01380	1.5
61.98819	0.4
63.38107	0.3
63.93153	0.3
70.96632	0.3
71.01380	2.8
71.30419	0.3
73.02924	0.7
74.72158	0.3
83.01404	0.5
85.02952	2.0
86.02485	1.0
89.02438	0.6
99.00844	0.5
101.02436	1.4
113.02452	1.0
118.53119	0.3
120.01252	100.0
121.01578	1.1
127.96656	0.3
151.62543	0.3
158.60858	0.3
161.04532	0.5
229.55168	0.4
346.82245	0.3
465.28790	1.3
487.74326	0.3
536.75531	0.3
586.30591	10.0
587.30542	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	586.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66433	1.1
58.02961	1.5
58.05931	1.0
59.01371	3.9
61.98835	15.3
69.42463	3.1
69.42891	5.0
71.01358	2.2
71.41521	1.1
73.04068	5.9
80.66582	1.0
82.06616	1.0
84.04546	4.5
85.02924	2.3
87.05633	13.4
89.02380	1.1
93.03443	1.7
94.06580	1.2
97.04065	2.5
98.02478	2.9
98.20721	1.9
100.33392	1.2
102.05609	39.5
110.02486	1.4
115.05142	18.6
126.06748	13.0
127.05111	1.7
128.03545	98.7
129.01967	1.4
129.03894	1.4
129.10312	3.2
130.08737	23.9
139.08817	1.7
140.07159	6.0
141.06725	1.1
144.07790	10.9
146.04599	34.7
153.10428	1.7
155.11882	5.0
165.10233	2.1
168.07779	21.6
171.15005	5.8
172.07423	1.1
182.12965	2.3
183.11391	2.7
186.08855	14.6
189.84851	1.1
191.05638	2.4
195.74646	1.1
197.12946	1.9
197.16518	1.3
199.18164	1.5
207.15063	1.2
208.13417	2.1
215.14009	5.4
225.16019	4.4
242.18614	1.9
243.17181	2.0
252.20811	1.5
254.14868	1.6
270.21765	4.4
284.23502	1.9
294.05164	1.3
295.21289	1.4
314.20892	2.0
327.23947	2.3
328.22223	1.6
339.24005	1.2
395.22476	1.4
399.26111	4.8
413.24011	37.6
414.24316	2.6
427.51752	1.1
457.26706	14.2
467.97922	1.2
498.29431	3.6
531.33649	1.3
542.28296	76.6
543.28955	8.2
568.29755	4.2
586.30890	100.0
587.31317	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	585.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.5
61.98829	100.0
78.95899	1.3
98.20758	0.4
152.99585	0.4
277.21844	0.2
283.26340	1.9
284.26813	0.6
285.27069	0.3
286.27234	0.2
296.08939	0.2
301.41574	0.2
508.34109	1.0
509.34784	0.3
511.34937	0.6
585.20636	0.4
585.29529	0.3
587.91522	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86387	0.3
59.01374	0.9
61.98831	100.0
71.01389	1.0
71.54790	0.3
78.12827	0.3
85.02930	0.5
89.02463	0.5
96.96032	0.5
97.06616	0.4
101.02434	0.7
111.01033	0.3
117.88441	0.3
119.05051	0.5
125.02457	0.3
125.09721	3.4
126.10043	1.3
127.05039	0.3
128.03572	0.7
137.06310	0.3
145.02986	0.5
161.06165	0.3
162.22087	0.3
168.88934	0.2
187.09750	2.9
188.10112	1.0
191.05690	0.6
199.09770	0.9
208.10971	0.5
239.15273	0.4
280.09955	0.7
298.10782	0.4
314.26669	0.3
373.47073	0.3
585.24097	1.9
586.24066	6.5
586.31793	0.8
587.24011	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.4
61.98829	100.0
64.83347	0.2
71.01379	0.3
71.52887	0.2
85.02958	0.2
111.08099	0.2
113.02400	0.2
128.03531	0.2
163.04063	0.2
177.12758	0.2
191.05650	0.3
202.56030	0.2
306.07709	0.3
586.20917	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94231	0.4
62.56415	0.4
75.23480	0.4
76.82298	0.4
78.95911	1.6
87.01656	0.4
91.05582	0.4
93.03460	1.3
98.54106	0.4
117.03421	0.5
119.05025	100.0
120.05367	3.0
152.99677	0.7
163.04005	71.1
164.04323	1.9
326.14069	0.4
326.17969	0.4
480.29178	0.5
497.60648	0.4
585.20081	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.1
61.98818	4.7
66.03478	1.2
69.30672	8.7
70.02973	4.1
81.02198	4.0
82.02985	3.2
87.05637	20.4
96.00900	8.9
98.02481	18.0
99.58230	1.0
108.03278	1.6
108.08138	1.1
109.01688	8.2
111.05682	1.4
114.01944	2.5
115.08765	9.5
124.05126	1.3
124.07659	3.6
125.05935	1.2
125.07243	7.8
126.05615	2.2
130.08736	56.6
138.05634	1.6
138.09239	18.6
140.07098	1.3
141.06708	5.9
151.08762	27.1
152.07172	24.4
152.09053	1.2
154.08786	1.7
158.09348	1.5
161.03612	1.7
163.08760	1.4
164.09477	2.7
166.08737	2.7
168.09113	1.6
168.11415	25.0
169.09776	2.2
181.07260	2.9
183.15157	1.2
185.16673	1.3
186.12431	2.6
195.07663	1.4
196.06201	5.7
196.09673	7.6
204.09038	3.1
211.14500	9.3
216.11081	1.0
219.14928	4.6
221.16565	11.7
222.10074	1.5
225.52490	1.0
229.15530	3.8
239.15123	76.8
239.17363	3.3
240.15417	3.5
247.14520	9.7
253.57387	1.2
256.20139	2.1
257.16196	24.3
265.15503	10.0
283.16663	1.8
309.14542	78.9
310.14859	4.9
327.15527	10.1
454.23044	6.6
567.31427	100.0
568.31879	10.5
585.32477	71.6
586.33020	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	585.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01903	1.0
57.03431	3.5
59.01378	37.7
61.98828	48.1
68.99809	1.1
69.03452	2.6
69.26988	1.0
69.34361	3.6
69.34782	5.8
71.01380	17.7
71.93462	1.2
72.99306	3.9
73.02951	1.9
75.00871	13.3
75.03468	1.1
83.05001	2.4
85.02950	18.6
87.00863	4.5
89.02448	4.9
93.03429	1.0
95.01385	4.5
97.06609	2.4
98.53970	1.0
99.00908	5.8
99.04524	3.4
101.02398	1.9
103.00357	2.6
113.02444	21.2
117.01867	1.3
119.08654	2.9
129.01936	1.3
137.09720	9.8
173.04547	1.7
175.02460	2.3
181.08759	2.2
186.45551	1.3
191.05524	1.2
195.14091	1.0
249.06117	6.2
267.07184	8.7
335.22272	8.7
376.46213	1.1
376.50891	1.1
585.29144	100.0
586.29553	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	585.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.5
59.01117	0.7
59.01382	10.0
59.18135	0.8
61.98832	17.6
69.03453	0.8
69.77623	3.9
71.01380	7.6
72.99287	1.0
73.02957	1.2
83.01392	0.7
85.02922	2.2
87.00856	1.4
87.05619	0.9
88.98814	0.9
89.02443	6.1
95.09358	0.8
96.96004	2.5
97.02959	0.9
97.06591	9.6
101.02460	5.2
113.02420	2.1
114.05617	1.3
119.03454	1.6
123.08164	4.8
125.02461	1.0
125.09725	75.9
126.10011	1.9
128.03546	0.9
130.08736	1.8
141.06732	0.9
143.10757	2.0
151.08780	1.0
152.07210	0.9
158.10545	0.8
161.04535	0.8
169.08649	0.9
187.09755	56.7
188.10066	1.7
191.05566	2.2
193.04997	0.9
205.92062	0.9
209.05817	0.7
214.15521	0.8
221.06708	0.9
239.15067	1.3
257.16135	1.2
283.67065	0.8
309.14401	1.2
369.15732	0.7
405.17554	0.9
415.14722	1.4
455.29370	1.0
466.54169	1.0
541.41803	0.8
567.31281	1.5
585.23944	100.0
585.31189	4.6
586.24268	11.8
586.32281	1.2
592.37250	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13476	0.6
57.03452	3.1
59.01380	12.0
61.98829	38.2
69.03452	0.8
71.01383	9.3
72.99325	1.1
73.02939	1.0
76.00151	0.6
81.03450	0.6
83.01384	0.9
83.05045	0.9
85.02947	1.9
86.00066	0.5
87.00880	1.6
89.02448	7.6
93.03442	0.7
95.01391	0.6
96.96006	1.9
97.02990	0.8
97.06588	9.6
98.20603	1.2
99.00870	0.6
101.02455	7.3
111.00943	0.6
113.02432	2.4
119.03510	2.4
119.05103	0.6
120.83134	0.5
121.02924	0.7
123.08170	4.2
125.02444	1.5
125.09721	71.1
126.10065	2.0
128.03519	1.2
143.03474	0.9
143.10782	1.5
161.04608	1.1
169.08696	2.1
179.05588	1.2
187.09747	57.1
188.10081	1.8
191.05554	1.7
221.06702	1.3
253.09564	0.6
261.13388	1.0
280.09833	0.6
405.17722	0.7
415.14572	2.5
423.19046	0.9
495.34030	0.5
549.25769	0.6
567.22699	0.9
585.23981	100.0
586.24274	8.7
586.32135	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	10.0
61.98834	100.0
70.11420	4.7
98.20578	1.5
101.94085	1.2
105.54049	1.2
115.28475	1.1
117.81390	1.2
118.81604	1.1
152.49106	1.2
165.46028	1.3
186.02803	1.4
250.12868	1.4
341.45242	1.4
404.83884	1.3
485.16553	1.5
489.07742	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02960	2.9
59.01367	1.8
60.16587	0.6
61.98831	20.6
66.03472	1.9
68.55042	0.7
69.52864	3.8
69.53271	0.9
69.64500	0.6
71.01347	0.6
82.02970	0.8
82.06610	1.2
84.04557	3.5
85.02924	0.8
87.05630	7.0
96.95973	1.7
98.02440	0.8
102.05603	24.6
112.03972	0.9
115.08750	1.2
116.07168	12.1
122.09755	0.9
123.61814	0.7
126.05572	2.2
128.03539	62.7
129.06697	9.3
129.10349	4.4
130.08701	1.6
140.07190	1.0
141.10298	1.2
146.04591	16.6
153.10278	1.0
155.11946	0.9
157.13455	5.4
162.84932	0.7
166.08699	3.1
172.48621	0.7
181.13487	1.2
182.12961	7.7
183.11385	2.3
183.14989	1.8
185.16563	2.0
185.35483	0.7
191.05579	1.3
193.13422	1.5
197.16585	0.9
200.14061	6.9
201.12552	3.2
207.14998	1.3
211.14539	3.4
224.14024	10.6
228.17084	0.9
229.15578	1.5
242.15103	6.7
254.18747	1.2
268.20145	1.1
270.21829	2.8
280.23813	0.9
294.21796	0.8
298.24911	0.9
314.20996	3.3
329.17163	0.8
358.20001	0.8
369.28632	1.6
427.29083	1.2
455.28702	27.7
456.28781	2.0
498.33057	0.9
540.33948	2.8
584.32965	100.0
585.25061	0.6
585.33313	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	584.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50769	0.3
59.01370	0.5
61.98829	100.0
67.69949	0.3
71.01382	0.4
71.54794	0.3
71.55167	0.3
85.02955	0.3
88.04060	0.4
88.98814	0.3
93.03461	0.4
96.96013	0.7
109.02960	0.3
118.02314	0.3
123.04472	0.4
127.05156	0.3
137.02455	1.3
152.99533	0.3
164.01198	0.3
165.01907	1.8
167.03593	0.4
167.86568	0.3
173.04619	0.6
177.27956	0.3
179.03642	0.3
191.05649	1.4
247.28868	0.3
300.29355	0.3
344.49637	0.3
347.57376	0.3
394.00830	0.3
584.22571	1.9
585.20929	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21943	0.3
54.54746	0.4
55.36979	0.4
59.01376	1.1
61.98831	100.0
69.41173	0.9
69.41566	2.6
69.49892	0.4
71.01405	0.5
78.95922	0.4
82.03004	0.4
85.02985	0.6
87.05674	0.5
89.02453	0.5
96.00959	0.5
96.96032	0.7
98.02486	0.6
114.66832	0.4
122.65901	0.4
130.08754	2.6
151.08765	0.9
152.07204	0.6
152.99617	0.4
168.11389	0.6
172.91029	0.4
191.05676	1.2
193.05193	0.5
239.15092	3.3
252.79799	0.5
257.16318	0.7
309.14523	2.6
327.15668	0.6
404.98737	0.4
567.31702	3.3
584.34534	0.4
585.32501	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	584.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21943	0.3
54.54746	0.4
55.36979	0.4
59.01376	1.1
61.98831	100.0
69.41173	0.9
69.41566	2.6
69.49892	0.4
71.01405	0.5
78.95922	0.4
82.03004	0.4
85.02985	0.6
87.05674	0.5
89.02453	0.5
96.00959	0.5
96.96032	0.7
98.02486	0.6
114.66832	0.4
122.65901	0.4
130.08754	2.6
151.08765	0.9
152.07204	0.6
152.99617	0.4
168.11389	0.6
172.91029	0.4
191.05676	1.2
193.05193	0.5
239.15092	3.3
252.79799	0.5
257.16318	0.7
309.14523	2.6
327.15668	0.6
404.98737	0.4
567.31702	3.3
584.34534	0.4
585.32501	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	583.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76972	0.1
58.51633	0.2
59.01381	2.0
60.16073	0.1
60.49564	0.1
61.98831	100.0
69.29339	1.4
78.95906	4.1
96.96925	0.2
98.19907	0.4
99.92591	0.3
105.60281	0.2
115.92101	0.5
116.92873	0.3
117.91983	0.2
117.92850	0.2
118.92729	0.2
122.29863	0.2
152.99580	1.2
171.00708	0.3
174.96040	0.2
179.89198	0.3
180.89981	0.6
196.89531	0.7
197.89581	0.4
198.89511	0.2
237.92796	0.2
238.92667	0.3
245.04468	0.3
267.47620	0.2
277.21851	0.2
281.24777	1.6
282.25320	0.6
283.25583	0.3
284.25946	0.2
317.51111	0.2
380.28549	0.2
463.52551	0.2
475.13983	0.2
506.32465	1.2
507.33075	0.3
508.33545	0.2
509.33267	0.7
547.17047	0.2
583.18933	2.2
583.27826	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.2
61.98830	100.0
65.76085	0.1
78.95899	0.9
81.34704	0.1
88.00424	0.2
88.98825	0.5
89.40988	0.1
94.00433	0.1
139.46788	0.1
152.99619	0.6
160.78618	0.1
261.45328	0.2
281.24857	2.6
282.25186	1.0
283.25589	0.4
284.25940	0.4
506.32617	0.9
508.32608	0.2
509.33710	0.3
583.19757	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52894	2.0
59.01368	2.3
69.94878	3.1
69.95275	5.6
71.01406	2.1
78.95906	69.5
79.56650	2.1
79.95724	2.4
96.96010	58.6
96.96965	100.0
98.20262	5.8
113.92622	3.0
123.01782	2.1
135.71275	2.0
230.25523	2.3
249.18639	10.3
253.19202	2.0
272.60626	2.1
351.05869	4.1
509.41025	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	583.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.4
57.03453	0.9
58.00577	0.7
59.01380	34.6
61.98831	16.8
63.99223	0.7
68.99571	1.3
69.44671	5.4
71.01382	23.6
72.99277	1.0
73.02942	8.9
83.01385	4.2
85.02955	10.8
86.51582	0.7
87.00871	1.0
89.02439	7.4
93.03455	1.7
95.01382	2.3
96.95986	2.6
97.02964	1.5
99.00861	4.2
101.01798	1.4
101.02441	20.3
107.05008	0.9
111.00871	1.0
112.98573	1.0
113.02452	10.0
119.03474	2.1
121.02936	1.9
122.03748	3.3
125.02420	1.5
127.05132	1.3
128.09578	0.7
130.08702	2.0
133.02904	0.9
135.04521	1.4
136.01645	1.4
143.03497	1.1
149.02469	3.8
150.03238	15.5
151.03952	2.5
154.87549	0.7
159.02962	1.1
161.04530	5.2
163.04094	0.8
165.05569	15.6
166.02693	1.2
166.05869	1.1
181.05029	1.8
185.00380	0.7
190.06281	1.3
190.85826	0.7
191.05563	1.2
195.06616	8.8
215.96109	0.6
329.10388	0.9
357.13336	2.2
361.22134	3.7
373.12601	1.0
387.14597	4.2
403.23236	3.6
420.93912	0.7
431.25449	0.8
465.24609	0.9
486.50998	0.7
488.36142	0.8
505.18542	1.1
523.27625	4.6
535.19537	7.1
535.41974	0.8
536.19873	1.1
553.18439	0.7
565.28906	3.3
583.29718	100.0
584.29254	8.8
584.37140	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	582.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.5
61.98831	100.0
62.01647	0.4
64.63584	0.4
65.62066	0.4
69.50087	2.7
72.02525	0.3
72.61564	0.4
73.60399	0.4
77.08317	0.4
96.96014	0.4
129.28625	0.4
152.00975	0.4
191.05640	0.6
245.67961	0.4
275.66953	0.4
579.16077	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25005	0.3
58.72988	0.3
59.01377	0.9
61.98831	100.0
65.50839	0.3
71.01390	0.8
71.54057	0.3
79.95751	0.4
87.00875	0.4
93.12302	0.3
96.96010	8.3
96.96609	0.5
101.02477	0.6
173.04562	0.6
191.05655	1.1
194.87462	0.3
453.72272	0.3
462.00577	0.3
466.11197	0.3
582.32599	0.4
583.22260	1.8
583.36298	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97597	0.3
59.01378	18.1
71.01385	0.7
71.14841	0.3
78.24545	0.3
78.95904	20.1
78.98600	0.5
79.95746	0.9
80.96516	6.9
90.92108	0.3
94.98083	1.7
95.20165	0.3
96.96948	0.4
98.19818	0.6
103.74142	0.3
115.92094	1.1
116.92864	0.6
122.97590	0.4
122.98500	0.4
152.98631	0.4
152.99614	3.7
164.98581	1.2
168.04312	3.4
180.89983	0.5
196.89522	0.7
206.99533	0.5
224.06927	8.6
225.00641	1.0
226.00842	0.6
236.92545	0.4
242.07860	2.4
243.01843	0.3
255.23468	0.4
283.26413	100.0
284.26743	7.4
508.34052	64.9
509.34406	6.0
582.30298	11.7
583.19855	1.7
583.30261	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01716	0.7
61.98835	0.3
69.20287	0.5
69.20679	1.8
71.01382	0.3
98.19806	0.3
103.56734	0.2
112.70811	0.2
138.35780	0.2
152.51959	0.2
161.06587	0.2
164.88245	0.2
165.76538	0.2
177.19910	0.2
207.10283	0.2
226.11700	0.3
277.21707	4.0
278.91986	0.2
279.23209	0.9
280.23593	0.6
291.23325	0.7
318.16724	0.2
581.39410	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	581.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76722	0.1
59.01373	0.2
61.98830	100.0
70.84151	0.1
70.84456	0.2
78.95901	0.7
79.46838	0.1
82.96105	0.3
86.01730	0.1
86.82500	0.1
152.99586	0.4
161.33951	0.1
222.11237	0.1
224.06996	0.2
279.23306	1.8
280.23581	0.6
281.24020	0.3
282.24323	0.2
315.47470	0.1
433.23395	0.2
504.30930	1.2
505.31406	0.2
506.32025	0.2
507.31665	0.7
581.26740	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54252	0.3
57.60627	0.3
59.01378	100.0
60.01723	0.6
73.60400	0.4
76.77482	0.3
88.46285	0.4
98.20651	1.0
210.45512	0.3
224.25423	0.4
225.44237	0.3
233.21956	0.3
261.13220	0.3
277.21744	3.8
367.91599	0.3
467.27225	0.4
491.71918	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.2
61.98829	100.0
68.54766	0.1
78.95903	0.4
80.96488	0.2
82.96126	0.6
84.96485	0.1
107.30521	0.1
120.20472	0.1
141.49263	0.1
152.99585	0.4
156.07414	0.1
228.05463	0.1
229.91321	0.2
279.23282	2.6
280.23593	1.7
281.23920	0.8
282.24240	0.3
316.76938	0.1
388.96393	0.1
504.30789	0.7
505.31857	0.2
507.32040	0.5
581.27051	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91285	0.4
54.23869	0.4
56.51710	0.4
58.40526	0.4
59.01382	3.4
63.96240	0.7
69.03429	0.5
71.01377	5.8
73.02937	1.9
77.26178	0.5
78.95905	2.5
78.98582	5.2
79.95729	9.3
80.96514	58.4
81.03449	1.1
84.75301	0.5
85.02945	1.9
87.00870	2.9
94.98078	12.7
96.96008	1.1
97.02942	1.3
98.20653	1.3
99.00897	0.8
101.02419	2.6
106.98078	2.9
122.97576	5.6
125.02452	2.6
127.04042	0.7
131.90396	0.6
134.97586	4.4
136.99181	1.3
148.99136	4.9
152.98608	6.2
152.99704	0.6
164.98616	10.1
169.57204	0.5
182.99658	1.6
194.16750	0.5
197.15198	0.5
206.99670	2.5
218.79927	0.4
224.06895	1.2
225.00722	14.7
226.01105	0.5
243.01775	1.2
281.24881	3.5
283.26398	16.2
299.04440	3.0
341.05969	0.4
354.95285	0.5
383.87555	0.5
393.94800	0.4
450.81140	0.5
487.36728	0.5
508.34109	10.4
581.29938	100.0
581.95599	0.5
582.30359	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	581.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54309	0.7
59.01377	1.4
61.98833	6.2
69.03445	0.8
71.01387	5.8
71.10587	1.4
72.99306	2.0
73.02948	0.7
78.95908	1.5
83.01403	0.6
84.93883	1.0
85.02951	2.1
87.00908	0.9
93.83747	0.7
96.96001	4.7
98.95597	1.1
99.00880	5.6
99.92588	100.0
100.92601	3.6
100.93372	4.4
101.02423	1.7
113.02446	1.5
113.92614	1.1
115.92081	77.4
116.92126	3.4
116.92862	58.8
117.92863	1.8
125.02435	0.7
126.94907	1.2
127.00362	1.0
132.92320	0.9
141.93649	4.0
142.94484	1.6
151.56706	0.6
153.97377	0.9
154.94435	1.2
162.64481	0.7
164.07111	1.1
167.95122	0.9
169.93169	2.0
170.93896	1.8
183.94687	0.7
187.07326	0.7
196.95441	1.1
197.96213	2.4
198.93393	2.6
198.97008	2.4
211.94110	0.8
220.49727	0.6
225.11310	0.8
240.94574	0.9
241.95197	1.0
242.96149	1.1
243.96664	1.1
259.96301	4.2
267.03137	1.0
273.22293	0.9
281.17712	0.9
293.61313	0.8
319.22644	0.7
348.10263	1.1
371.97183	0.8
401.14066	1.1
403.15802	7.4
404.16315	1.3
419.15350	1.4
443.15170	1.3
453.67432	0.7
458.14331	0.8
465.28882	0.8
481.28036	6.3
483.28967	2.4
501.16528	1.0
515.17444	8.8
516.17920	1.3
521.23590	1.4
529.15552	1.2
533.18481	24.8
533.26538	1.4
534.18384	3.3
545.18457	26.8
546.18646	5.0
563.19653	6.5
564.19269	1.2
581.20508	28.4
581.34967	2.5
582.21271	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	581.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30126	1.1
59.01367	2.7
61.98834	14.9
71.01389	5.2
71.53584	1.5
72.99303	2.4
78.95888	2.5
82.94515	1.0
85.02946	1.7
85.09227	1.1
96.95990	2.2
96.96951	2.3
99.00880	5.4
99.92587	100.0
100.92616	4.1
100.93387	3.5
101.02471	1.5
109.24685	1.1
113.02440	1.4
115.92077	84.4
116.92123	2.6
116.92858	57.9
117.92824	1.1
132.92300	1.1
153.97278	2.5
167.95230	1.4
183.94695	1.3
186.55331	1.2
197.96317	2.3
198.97026	2.4
207.10313	1.3
211.94240	1.5
214.11998	1.2
226.16815	1.2
259.96280	3.2
356.33835	1.2
385.14819	1.3
403.15894	10.1
420.16388	1.4
430.77982	1.1
443.14932	2.0
481.28046	13.0
483.28726	1.4
515.17352	1.2
533.18292	3.7
545.18445	41.1
546.18805	7.1
563.19574	2.3
581.20367	33.6
582.21472	7.9
582.31482	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	581.1821
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
59.01363	0.9
61.25359	0.8
62.96391	1.0
64.79717	0.6
67.33068	0.8
70.86193	1.2
70.86517	1.1
71.01372	1.4
78.95901	100.0
96.95975	1.2
96.96961	4.8
99.92589	12.2
100.93366	2.6
115.92070	36.9
116.92113	2.2
116.92857	26.5
138.98026	1.2
147.71906	0.8
150.97990	3.4
152.99582	22.4
155.95174	1.3
163.89674	1.6
164.90472	2.4
171.00642	12.9
172.95473	5.6
178.88426	18.3
178.92004	0.7
179.89229	35.4
180.90028	24.6
181.90717	2.6
194.87915	4.6
196.89484	37.7
197.89430	1.3
204.89992	1.5
205.90761	7.0
206.91479	2.6
208.89484	2.3
208.91599	0.8
218.91483	1.3
219.92392	1.8
221.90167	1.7
223.20726	1.2
234.91055	1.9
235.91777	8.6
236.92595	29.8
237.92847	1.6
245.04202	1.4
252.92062	3.6
253.21732	1.3
253.92891	1.4
270.93033	1.5
276.95691	4.4
278.93668	4.6
281.24820	4.6
282.25238	2.8
292.95392	3.8
304.77884	0.8
309.95346	2.1
310.96353	7.8
326.95657	1.2
352.84329	0.8
398.36749	0.8
409.16989	0.9
472.12799	0.9
473.13889	6.9
481.25146	0.9
490.14365	6.3
506.32352	2.0
507.32776	2.2
515.14996	1.8
533.15955	3.9
545.15985	6.1
546.16351	1.0
563.16943	6.4
581.18219	63.2
582.18469	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	580.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00526	0.3
59.01380	13.0
61.13165	0.2
61.98825	0.8
69.26418	2.3
71.01386	0.4
72.60876	0.3
78.72535	0.3
78.95899	4.9
78.98595	0.4
79.95727	0.5
80.96513	4.2
87.98323	0.3
88.69422	0.3
94.98087	1.0
136.27655	0.3
148.99178	0.4
152.98509	0.5
152.99582	1.3
164.98619	0.5
168.04253	1.5
179.89136	0.3
224.06940	0.8
225.00726	0.8
242.08020	2.0
242.50638	0.4
281.24841	100.0
282.25168	6.6
322.77521	0.3
435.17236	0.3
447.37476	0.3
506.32486	27.4
507.33044	3.1
519.13300	0.3
580.28729	6.3
581.17999	0.5
581.28400	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	18.6
59.31436	0.6
69.34103	0.6
70.29568	1.1
70.29942	1.3
71.01366	3.4
78.95904	36.2
78.98610	1.6
79.95734	2.1
80.96518	17.0
82.96104	1.1
85.02956	1.0
94.98103	4.9
96.96014	2.5
97.02959	1.1
99.92615	1.4
104.82008	0.7
115.92075	5.2
116.92873	4.4
122.97556	0.7
134.97552	0.9
148.99077	0.9
152.98613	1.0
152.99603	6.3
164.98637	2.7
168.04329	3.6
171.00656	2.1
172.95464	0.9
178.88396	4.1
179.89227	5.5
180.89969	3.9
188.35886	0.8
194.87944	0.9
196.89468	5.9
224.06918	8.3
225.00760	2.8
229.66579	0.8
234.91316	0.7
235.91882	1.0
236.92624	4.1
242.07990	1.4
268.96838	0.8
278.93619	0.9
281.24844	100.0
282.25076	6.0
299.04459	0.7
342.89117	0.7
365.74512	0.7
473.13510	0.8
490.14542	1.3
506.32495	66.4
507.32825	8.1
533.15540	1.1
545.16028	1.5
580.28717	30.0
581.18164	12.2
581.28473	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	580.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.3
61.98831	100.0
67.37822	0.5
69.89256	2.6
69.89651	0.9
71.01386	2.1
85.02962	1.3
89.02454	1.3
93.03477	0.7
101.02431	1.2
104.84862	0.6
113.02486	0.7
136.01723	1.1
151.04037	1.5
171.10287	0.8
173.04572	1.0
178.43576	0.5
183.98703	0.5
191.05663	1.5
218.89238	0.6
253.09315	0.8
275.67276	0.6
343.21393	2.0
344.21735	1.3
357.13800	1.0
358.13953	2.2
497.95059	0.8
580.31317	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61341	0.2
53.35365	0.2
54.04169	0.2
55.88903	0.2
59.01383	0.7
61.98831	100.0
69.36664	1.0
69.37065	0.5
71.01392	0.7
73.02959	0.4
85.02963	0.3
87.00906	0.3
89.02431	0.4
93.03486	0.4
101.02466	0.3
112.16639	0.2
121.02917	0.2
122.94277	0.2
125.61208	0.2
173.04599	0.6
181.64915	0.2
191.05667	0.9
292.60208	0.2
360.00882	0.2
508.25665	0.3
580.25311	0.3
581.36401	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24768	0.1
59.01361	0.1
61.98830	100.0
69.53220	0.7
69.53632	0.3
78.21243	0.1
78.95921	1.1
80.96505	0.3
82.96124	0.1
97.01134	0.1
143.25058	0.1
152.99591	0.4
164.64207	0.1
200.12146	0.1
277.21719	1.9
277.24405	0.2
278.22150	0.6
279.22241	0.2
280.22946	0.2
438.18573	0.2
464.80377	0.2
502.29355	1.4
503.29929	0.2
505.30414	0.7
579.26941	1.0
584.01251	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03538	1.5
59.01359	2.1
71.05003	5.0
71.53649	2.0
94.49641	1.6
95.80679	1.6
97.02959	3.6
97.06559	3.0
99.00875	21.5
109.06578	2.7
123.08173	3.4
125.09713	10.1
163.11287	12.2
181.12354	22.4
187.14981	1.8
199.11696	3.0
199.13402	33.4
207.10255	31.4
225.11311	84.5
226.11661	2.9
243.12343	23.1
279.23279	88.9
280.23615	7.7
299.15076	9.5
306.71094	1.5
317.16046	26.1
373.75897	1.6
393.09567	1.7
476.64169	1.9
579.38995	100.0
580.39252	15.1
595.13995	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	579.305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	0.1
55.04171	0.1
59.01375	0.3
61.98831	100.0
62.99250	0.1
69.25420	0.3
69.25837	0.8
74.77911	0.1
78.95914	0.5
90.54705	0.1
96.99886	0.1
98.19910	0.2
152.99577	0.5
175.41469	0.1
234.27240	0.1
250.91092	0.1
277.21725	2.2
278.21927	1.1
279.22311	0.7
280.22787	0.4
363.22501	0.1
502.29510	0.7
505.30414	0.4
541.14331	0.1
579.30548	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	579.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.6
66.31163	0.8
69.21866	7.0
69.22292	1.4
69.22473	0.8
71.01389	6.4
73.02954	2.1
74.47665	0.8
76.49396	0.9
78.95913	8.8
78.98592	4.8
79.95731	10.8
80.96515	63.3
85.02956	3.7
87.00887	2.2
94.98088	14.3
96.96012	8.8
97.02948	1.2
101.02459	1.7
106.98083	2.0
113.02468	1.2
113.92638	1.8
122.97551	3.0
125.02416	2.0
127.03989	1.0
134.97588	5.2
136.99113	1.9
148.99132	4.4
152.98544	4.9
152.99611	2.1
164.98639	10.2
177.89758	2.0
194.90034	2.0
199.98563	0.8
206.99683	2.6
224.06831	1.9
225.00691	13.8
279.23322	1.7
281.24838	27.5
299.04367	2.7
319.21524	0.9
481.25751	1.1
506.32428	16.2
579.28400	100.0
580.28680	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	579.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.5
63.96236	1.2
66.97649	0.7
69.03465	0.7
69.50919	2.8
69.51357	1.6
70.67557	0.6
71.01382	6.5
73.02949	1.4
78.23528	0.5
78.95825	0.7
78.98592	7.4
79.95729	10.6
80.96516	75.5
85.02943	2.1
87.00866	2.0
94.98084	15.8
96.96013	2.2
97.02937	1.6
99.00883	1.0
101.02474	3.7
106.64475	0.5
106.98075	2.6
109.51539	0.6
122.97581	5.6
125.02462	3.0
127.04005	1.4
134.97581	4.9
136.99141	1.4
148.98137	0.7
148.99171	6.3
152.98637	8.7
164.98619	11.8
182.99684	2.6
188.98842	0.6
206.99678	3.6
210.59071	0.7
225.00731	18.3
226.00999	1.1
243.01813	1.2
246.40225	0.6
279.23248	3.6
281.24875	9.8
299.04565	2.9
506.32687	2.9
572.80371	0.7
579.28400	100.0
580.28809	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	579.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42096	0.6
57.01847	0.7
59.01385	6.3
61.98832	19.9
68.97782	0.7
69.32233	6.0
71.01379	5.7
73.02946	1.0
75.00863	2.5
75.68227	0.7
79.95721	0.7
83.01395	0.7
84.68581	0.6
85.02959	2.3
86.98065	0.7
89.02438	2.0
93.03424	1.3
101.02444	3.4
109.02984	1.5
113.02464	1.5
119.03529	0.8
119.05072	0.9
121.02942	3.5
123.00841	2.3
129.01894	0.8
137.02452	8.9
138.03189	0.9
149.02446	1.0
151.00374	18.3
151.03975	1.8
152.01073	1.6
152.04791	2.5
159.04570	0.8
161.02409	0.8
161.04536	1.6
163.04036	0.9
165.01978	1.0
166.02716	55.5
167.03398	2.9
171.10286	2.0
173.04556	0.9
175.03993	1.2
176.69894	0.7
177.01900	2.1
177.05525	1.2
178.02669	0.8
181.05064	69.4
181.71074	0.7
182.05418	2.2
184.03694	1.2
190.02789	0.8
191.03601	0.9
191.05644	2.0
192.04222	0.9
193.05124	1.5
205.05153	1.0
205.08612	0.9
207.06590	1.2
209.04550	2.2
209.11833	2.6
253.09317	4.1
268.03784	1.7
269.04486	6.5
270.04825	6.8
271.05090	4.8
300.02859	1.3
328.37872	0.8
339.25049	0.7
343.21213	10.2
357.09662	0.9
359.11380	1.0
387.10745	16.4
387.15369	0.9
388.10803	1.6
402.13141	7.9
404.64536	0.8
417.15536	100.0
418.15930	8.9
449.16620	1.9
579.16339	9.3
579.29083	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	579.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45206	0.6
59.01379	100.0
60.01707	1.0
61.98835	2.5
70.88930	1.5
71.01402	1.7
72.99284	0.7
75.00883	1.0
85.02962	1.3
96.96043	1.5
98.95620	1.1
99.92553	0.9
113.02469	0.9
115.92113	1.0
116.92847	1.4
118.09838	0.7
121.02936	1.3
126.90436	11.8
132.62106	0.7
141.25279	0.7
175.04030	1.2
190.06407	1.1
191.05579	1.0
222.05342	1.3
227.03607	1.6
230.02351	0.7
251.07384	0.7
255.03008	3.9
263.07211	1.7
269.08215	1.6
279.06757	2.2
281.08310	2.8
282.08868	0.7
284.03217	4.5
285.04135	1.8
293.08231	1.4
294.09061	1.5
296.10535	1.4
297.07639	9.5
309.07748	14.7
309.11365	4.3
310.07941	1.2
312.10049	9.6
313.10452	0.9
323.09375	2.8
324.09958	10.2
324.99695	0.7
325.10599	0.9
327.12341	41.2
328.12839	2.6
339.12338	37.7
340.12833	2.1
579.13696	4.9
579.23041	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	579.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62456	0.7
56.22647	0.6
56.70815	0.6
59.01377	100.0
61.98827	3.7
67.06393	0.7
70.57698	1.1
71.01396	2.7
75.00899	0.9
77.72336	0.7
85.02949	1.9
85.98094	0.7
87.00874	0.9
89.02460	1.2
93.03472	0.8
95.01469	0.8
96.96023	2.7
98.95612	1.4
99.92574	1.3
101.02451	1.1
107.03011	0.6
115.92083	1.8
116.92891	2.4
121.02979	1.6
124.05181	0.6
126.90425	9.2
128.03598	0.8
128.18143	0.8
161.04504	0.9
173.04611	1.2
175.04071	1.8
190.06409	1.0
191.05672	2.3
222.05336	1.2
227.03511	1.1
239.07239	0.8
255.02968	4.3
263.07098	0.9
265.08771	0.8
269.08313	1.8
271.02502	6.2
279.06653	1.2
279.66357	0.8
281.08313	3.3
283.09854	1.0
284.03201	1.7
285.03940	1.2
293.08209	1.3
294.09042	1.9
296.10449	0.8
297.07623	8.3
300.02728	10.2
301.03284	1.2
308.10541	1.3
309.07767	12.6
309.11304	3.4
310.08084	1.5
312.09995	8.6
313.10547	1.1
323.09378	2.1
324.09958	9.2
327.12347	38.9
328.12567	3.3
339.12363	36.7
340.12714	2.9
357.13525	1.4
383.08322	1.0
463.83826	0.9
491.98242	0.9
519.24707	1.5
543.12079	1.0
579.13739	10.5
579.23303	5.7
580.13702	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04888	0.5
59.01383	24.4
61.98831	8.9
65.00314	0.7
70.28922	1.7
71.01383	3.1
72.84434	0.6
72.99303	1.0
73.02950	0.8
79.95736	0.8
80.67603	0.6
83.01370	0.7
85.02926	2.0
87.00879	1.1
89.02420	1.7
91.01860	0.6
93.03427	0.9
96.96020	7.3
97.29702	0.6
98.95599	6.5
98.96264	0.7
99.00883	1.4
99.92576	6.3
100.93356	0.9
101.02445	1.1
107.01367	1.0
108.02164	1.8
110.30312	0.6
113.02441	1.3
115.92090	10.6
116.92863	9.2
121.02945	1.5
126.90457	1.4
128.03516	2.6
135.00813	0.9
148.01654	1.6
151.00351	3.6
163.00363	0.8
164.01018	0.6
173.04547	0.6
175.04027	0.6
178.99895	2.9
186.40572	0.6
191.05605	2.2
191.22258	0.7
197.11801	0.8
215.03490	0.6
225.11287	0.7
226.02670	1.6
227.03433	3.2
243.03004	9.2
244.03647	0.9
254.02119	1.5
255.03000	27.8
256.03387	1.7
271.02478	57.1
272.02933	5.0
281.04782	0.6
281.08145	1.0
284.03284	0.8
286.61752	0.7
294.09033	0.9
296.10513	0.7
297.07672	1.7
299.01956	2.5
300.02747	100.0
301.03265	9.8
309.07803	3.1
309.11145	0.8
312.10147	1.5
323.09280	0.8
324.10043	2.4
327.12372	9.3
339.12335	8.2
343.21307	0.9
357.13181	1.3
383.07986	2.4
407.17157	0.9
479.21570	1.1
495.00537	0.6
543.11682	4.3
579.13678	73.7
579.22894	6.9
580.14105	9.3
580.23877	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	578.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
64.98901	17.9
71.52312	22.4
73.45571	18.3
95.01083	17.2
117.88687	19.4
167.85846	22.1
201.32225	22.0
339.23209	27.4
515.35254	32.8
570.94165	23.3
577.98724	20.4
604.53229	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70975	0.7
59.01381	10.6
61.98589	0.6
61.98832	7.3
71.01376	2.9
85.02934	1.2
87.00860	1.0
89.02484	1.0
96.96000	6.9
98.95578	3.1
99.92582	4.4
101.02459	0.8
106.20041	0.7
107.01410	1.2
108.02174	1.3
113.02461	0.9
115.92088	8.7
116.92181	0.9
116.92864	7.1
121.02909	1.1
128.03531	1.7
132.49689	0.7
148.01653	1.5
151.00368	2.1
161.00752	0.7
163.00317	1.2
169.93030	0.8
173.04562	1.1
178.99846	3.0
186.27298	0.7
191.05580	2.1
225.11162	0.8
226.02667	1.9
227.03506	3.1
243.03018	9.1
244.03497	0.9
254.02216	1.6
255.02977	25.1
256.03168	1.2
271.02466	52.4
272.02997	3.4
299.01901	1.9
299.41672	0.8
300.02740	100.0
301.03250	8.8
327.12378	2.3
339.12482	2.1
343.20956	1.4
383.07983	2.6
543.11835	2.3
579.13574	67.6
580.13885	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	578.346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61615	0.4
55.64258	0.4
59.01379	20.7
65.16833	0.4
69.24465	4.4
71.01379	1.6
73.02968	0.6
78.95903	21.2
78.98603	0.8
79.95731	2.5
80.96518	14.6
81.96427	0.6
82.96101	0.8
85.02960	0.6
87.00838	0.7
94.10145	0.4
94.98085	3.1
97.02945	0.4
99.02413	0.4
100.21100	0.4
109.02071	0.5
125.02477	0.6
133.35851	0.4
134.97600	1.0
148.99130	1.2
152.98521	0.7
152.99660	2.5
164.98610	2.3
168.04289	3.6
190.83990	0.4
224.06909	9.0
225.00763	2.7
226.01009	0.6
227.52414	0.5
228.23354	0.5
238.07063	0.5
242.07991	2.1
261.22299	0.6
279.23279	100.0
280.23618	7.4
504.30969	57.7
505.31177	6.8
578.27203	21.4
578.36401	0.9
579.27271	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	578.31
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95618	0.7
59.01359	0.7
61.98834	5.5
69.38206	5.2
71.01395	0.9
71.70119	0.6
78.95904	100.0
96.96965	8.9
117.55037	0.5
122.98518	0.7
127.11317	1.0
140.01137	0.6
148.61272	0.6
152.99586	14.7
166.03439	0.6
167.14397	1.6
168.13902	1.6
171.00639	19.7
172.00990	0.7
173.04657	1.0
174.50658	0.7
194.05852	1.0
211.13382	1.4
216.39455	0.6
229.14345	0.7
241.18083	1.5
268.09534	3.7
277.17862	1.1
279.19678	0.9
295.19159	1.7
366.17017	0.9
480.24185	0.7
523.29700	0.7
578.30951	61.1
579.31586	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	578.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	15.2
61.25647	0.4
62.86915	0.5
71.01379	1.2
78.95904	6.0
78.98586	1.2
79.64150	0.5
79.95740	1.7
80.96080	0.9
80.96519	11.5
82.96114	0.4
85.02946	0.9
86.10220	0.5
88.15980	0.4
94.98090	2.6
98.30552	0.4
101.02475	0.7
128.73973	0.5
134.97580	0.7
136.99136	0.4
148.99159	1.0
149.99463	0.5
152.98517	0.6
152.99641	0.9
164.98625	1.8
168.04298	1.6
171.46194	0.5
182.99814	0.5
224.06880	0.8
225.00670	1.8
226.00998	0.5
242.07982	2.9
261.22229	0.8
279.23279	100.0
280.23639	7.7
387.61362	0.5
493.86209	0.6
504.30960	28.1
505.31427	2.6
578.27203	20.2
578.36444	1.0
579.27100	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	578.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.7
61.98828	1.7
62.96395	0.5
69.42026	0.7
69.42439	1.4
71.05029	0.4
71.47987	0.3
78.95902	100.0
96.96957	8.2
97.34326	0.3
98.20771	0.3
122.98530	0.9
127.11302	0.7
136.37234	0.3
140.01228	0.4
150.32373	0.3
150.98045	0.3
152.99582	15.7
160.27315	0.3
167.14410	1.1
168.13931	1.5
171.00630	19.3
194.05864	0.8
203.96542	0.3
211.13348	1.6
214.04932	0.6
229.14473	0.8
238.04793	0.5
241.18065	1.3
251.20172	0.3
268.09512	3.7
277.18146	1.9
279.19650	0.9
282.20776	0.4
295.19141	2.4
296.19476	0.3
312.11978	0.3
363.25305	0.5
366.16736	1.6
433.27582	0.3
480.23703	1.2
492.23608	0.5
504.26953	0.5
578.30963	63.2
579.31287	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	577.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.1
61.98845	1.1
78.95913	1.3
99.43160	0.8
112.60185	0.7
202.05110	0.7
239.72093	0.7
277.21722	100.0
278.22079	7.4
279.23285	1.0
306.71515	0.8
436.84589	0.8
577.42413	41.7
578.42926	5.9
579.85699	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.3
57.03457	1.6
67.01895	1.6
69.03458	10.6
71.01376	2.6
71.05020	1.1
71.53730	1.4
87.87667	1.1
97.06602	1.4
99.00861	1.1
118.26183	1.0
123.08150	2.5
125.09718	4.1
127.58173	1.1
139.68185	1.1
148.75775	1.0
149.09683	1.7
151.11261	6.7
153.12839	1.7
161.09732	12.4
171.10217	1.5
179.10777	40.4
197.11833	100.0
198.12160	4.1
218.90656	1.2
223.09773	5.4
228.36461	1.2
241.10800	16.9
249.82603	1.1
279.23291	94.3
280.23627	5.4
297.13474	13.2
315.10773	1.4
315.14465	25.8
491.21878	1.2
577.37445	78.9
578.37811	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	577.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.3
55.40648	0.7
57.03436	3.3
57.81931	0.8
58.00569	0.9
59.01113	0.9
59.01381	18.4
61.98829	36.6
62.34039	0.8
68.88515	0.8
69.03456	1.6
71.01378	18.1
72.99303	4.3
73.02937	2.4
75.00877	12.0
83.01386	1.4
85.02952	20.4
87.00873	7.4
88.98795	0.9
89.02423	5.7
92.74549	1.0
93.03464	2.3
94.83968	1.0
95.01383	3.6
96.96006	2.9
97.02938	0.9
97.06599	2.4
99.00869	6.0
101.02435	3.7
103.00334	1.5
104.08949	0.9
109.02934	1.5
111.00861	1.1
113.02448	20.4
115.00370	1.7
117.01917	2.1
119.03430	1.0
127.11249	1.3
129.01878	1.6
131.03476	0.8
153.01949	1.4
155.10759	1.6
161.04427	1.0
165.12932	0.8
171.10263	6.0
173.04555	3.0
175.02481	2.5
177.12909	1.2
183.13852	1.5
185.11787	0.9
191.05516	4.4
211.13376	8.6
221.11774	1.4
229.14386	7.3
239.12666	1.6
239.53539	1.0
249.06161	2.8
267.07166	4.4
291.19702	1.4
327.21722	14.1
328.21939	1.2
365.22058	0.9
375.49493	0.9
377.21609	1.1
391.68835	1.0
415.27029	1.3
480.89044	1.0
491.61987	1.1
493.22824	1.0
517.26318	2.3
541.26294	0.9
559.27594	3.0
577.28619	100.0
578.28912	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	577.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.6
57.03434	1.6
58.00579	0.8
59.01381	12.4
61.98831	23.8
68.99800	0.6
69.03450	1.9
71.01005	0.8
71.01382	14.0
71.54256	0.5
72.99312	4.6
73.02934	1.6
75.00465	0.9
75.00872	13.0
75.01303	0.7
78.00019	0.4
83.01376	1.0
85.02955	16.4
87.00877	4.6
88.98811	0.6
89.02459	4.2
93.03435	0.6
95.01379	3.1
96.96007	0.5
99.00883	7.0
101.02436	1.7
103.00364	1.7
108.05819	0.5
110.13367	0.4
111.00841	0.7
113.02457	14.1
115.00335	1.2
117.01933	2.0
119.08646	2.4
125.09705	1.1
127.11274	0.9
129.01921	1.5
135.08124	0.6
137.09726	8.0
157.01410	0.7
163.03920	0.5
171.10269	38.5
172.10590	1.1
173.04535	0.7
175.02518	2.2
191.05605	1.2
201.11348	5.4
205.07123	0.5
210.13689	0.4
213.11301	1.2
249.06226	2.3
263.16476	1.5
267.07138	3.3
309.20874	0.7
327.21741	1.7
336.16708	0.4
559.27704	2.9
560.27277	0.5
577.28644	100.0
578.29028	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27077	0.4
56.34590	0.4
59.01383	8.9
61.63214	0.4
61.98861	0.5
63.96234	1.8
69.03430	0.5
69.25886	0.4
69.31404	4.2
71.01379	7.7
73.02927	1.9
78.37666	0.5
78.95904	7.6
78.98586	6.6
79.95735	11.6
80.96516	73.7
81.03474	0.6
83.01367	0.5
84.54953	0.5
85.02950	3.1
87.00893	2.9
94.98087	15.2
95.01357	0.6
95.02186	0.5
96.27821	0.4
96.96017	1.1
97.02946	1.4
99.00883	0.7
101.02426	2.7
106.95470	0.4
106.98082	3.5
122.97580	3.6
125.02450	2.5
127.03979	1.0
129.92775	0.5
134.97585	4.8
136.99129	1.5
146.97575	0.4
148.99152	7.0
152.98611	5.7
152.99632	0.6
164.97322	0.8
164.98622	11.8
168.04335	0.8
174.96553	0.4
180.08376	0.4
206.99600	2.1
224.06955	2.8
225.00720	13.6
242.08037	1.1
277.21710	1.2
279.23288	38.8
299.04413	2.7
332.09805	0.5
470.43091	0.5
504.30948	27.5
537.87579	0.5
577.26855	100.0
578.27216	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87954	0.7
59.01362	1.5
61.25030	0.8
63.40618	0.8
63.96248	1.0
69.19636	2.1
69.20048	5.0
71.01377	7.8
73.02939	2.6
78.98591	6.3
79.95734	10.4
80.96516	73.9
85.02954	2.9
87.00870	2.8
94.98087	18.5
96.96013	1.0
97.02977	1.8
99.00896	0.9
101.02437	3.1
106.98048	4.1
122.97574	5.7
125.02401	2.3
134.97581	4.1
136.99150	1.3
148.99124	5.9
152.98639	7.9
164.98625	10.4
182.99701	1.7
206.99696	2.4
209.06918	0.8
225.00778	15.1
243.01628	1.1
251.05060	0.8
277.21646	1.3
297.21780	0.7
299.04468	2.8
430.82123	0.9
577.26825	100.0
578.27203	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	577.263
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35635	2.3
59.01382	15.3
61.98842	10.4
69.31988	7.3
69.32414	8.2
70.02977	7.1
71.01385	12.0
73.02929	2.6
73.04054	6.2
73.04432	1.9
74.02481	20.5
81.02197	4.8
85.02971	2.4
87.05642	8.7
89.02448	9.3
96.00919	36.6
96.96013	6.4
97.04094	4.3
98.02473	34.2
98.20711	4.0
99.00879	2.2
101.02464	6.1
109.01747	2.7
109.04115	3.0
110.02469	2.8
113.02428	3.2
114.05616	2.2
116.07166	22.7
119.03457	2.3
124.04047	9.4
124.04919	1.9
124.07683	20.6
125.02435	3.7
125.03502	2.1
125.05892	3.0
126.05614	2.7
126.06704	5.6
127.05132	3.8
128.03502	2.4
139.08762	2.8
141.10336	3.7
143.11914	2.5
144.07788	46.0
146.06105	4.5
161.04498	3.5
163.08739	2.6
167.08104	1.9
168.03047	3.4
169.09840	10.3
173.04520	2.7
179.05630	4.7
179.11899	9.4
182.08083	10.9
187.10861	6.4
191.05635	6.8
199.08783	4.1
216.11302	4.3
220.55223	2.0
223.10889	3.4
234.12343	2.5
242.11911	4.4
259.14410	3.1
267.09854	70.7
268.10150	3.4
273.13531	20.9
273.16110	2.5
285.10965	4.5
291.14648	24.1
301.21704	2.8
317.15060	5.6
353.16937	2.0
370.17535	2.9
414.16672	40.6
415.16287	2.4
430.16248	2.2
460.18066	2.9
517.30304	11.7
543.54016	2.6
559.25177	100.0
559.33893	5.0
560.25873	9.2
577.26355	42.3
578.27307	4.8
595.78003	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	577.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	99.9
60.01709	1.1
61.98832	10.1
70.89324	2.0
71.01373	3.9
72.99316	1.4
73.02954	2.0
85.02967	1.5
87.00874	0.8
89.02457	2.4
93.03477	2.6
96.96024	0.8
101.00111	0.7
101.02439	3.1
113.02489	1.1
119.03472	0.6
119.08755	0.7
161.04504	1.4
161.95102	0.6
163.06152	1.7
173.04591	3.4
177.05511	1.4
191.05634	2.3
235.07634	1.6
249.05649	1.2
251.03484	0.8
251.07042	2.6
263.07220	1.8
266.06509	0.7
266.09546	1.7
267.06601	7.2
268.03857	1.4
269.04535	7.1
277.05103	0.8
279.06625	17.8
280.07098	1.1
290.05927	0.9
291.06641	10.4
291.22168	0.6
292.07468	3.8
293.08163	1.1
294.05908	0.9
294.08929	4.4
295.06107	20.7
296.06528	1.5
305.08310	1.4
306.08963	10.3
307.06116	33.3
307.09326	2.0
308.06534	2.4
309.07629	0.7
310.08444	19.9
311.08969	1.9
321.07809	4.0
321.33887	0.7
322.08453	19.8
323.09012	1.5
325.10788	65.8
326.11154	3.8
337.10794	100.0
338.11102	6.6
355.11826	1.0
425.41980	0.6
447.90256	0.7
483.90683	0.8
517.29999	1.9
521.96429	0.7
577.15619	4.5
577.29810	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1563
Annotation	RHOIFOLIN
Peak:m/z	Relative Intensity
59.01384	2.5
61.98834	3.5
63.02386	1.6
64.50787	0.2
65.00336	1.0
71.01376	1.9
73.02955	0.3
75.00832	0.3
77.41748	0.2
83.01398	0.5
83.05060	0.2
85.02938	0.8
87.00906	0.3
89.02445	0.9
93.03456	0.5
96.00893	0.3
96.96020	0.9
97.38494	0.2
101.02460	1.0
105.03459	0.3
107.01389	1.9
113.02454	0.6
117.03464	2.7
119.03551	0.3
120.01282	0.3
120.24088	0.2
128.03552	0.3
135.04558	0.4
149.02441	0.8
149.99510	0.2
151.00383	1.9
155.05000	0.2
159.04541	1.4
161.02422	0.9
161.04535	0.2
169.06586	0.5
173.04582	0.5
176.59651	0.2
181.06499	0.4
183.04523	0.9
191.05612	1.5
195.04568	0.3
196.05313	0.3
197.06061	0.5
199.04066	0.3
201.05554	0.4
211.03954	0.3
212.04749	0.4
224.04605	0.3
225.05560	1.3
227.03609	0.6
239.03471	1.5
240.04259	1.3
254.25261	0.2
267.03055	0.8
268.03751	24.2
269.04532	100.0
270.04877	5.7
311.05548	0.5
413.08691	0.8
413.85532	0.3
431.09689	0.4
457.12051	0.3
517.30078	0.8
577.15582	47.2
578.15894	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	577.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.1
61.98831	4.2
63.02392	1.7
63.90470	0.2
65.00346	0.8
69.37701	0.2
71.01382	2.0
71.54643	0.4
73.02953	0.5
75.00871	0.4
83.01395	0.6
85.02967	0.8
87.00925	0.4
88.04030	0.2
89.02444	1.3
93.03477	1.1
96.96017	1.0
98.02507	0.2
101.02444	1.5
107.01379	1.7
113.02452	0.7
115.00361	0.3
117.03461	3.3
119.03516	0.3
120.01271	0.4
121.02951	0.3
127.05076	0.2
130.08752	0.3
131.85548	0.2
135.04507	0.3
148.01732	0.3
149.02443	1.0
151.00348	1.6
151.01392	0.2
159.04509	1.0
161.02431	1.0
161.04620	0.5
169.06506	0.4
171.04507	0.5
172.05331	0.2
173.04544	0.6
179.05505	0.3
181.06602	0.4
183.04494	0.9
191.05609	1.8
196.05275	0.3
197.05971	0.8
199.04031	0.4
201.05562	0.4
203.03438	0.2
203.73027	0.2
205.96767	0.2
210.48503	0.2
211.03986	0.7
212.04706	0.2
223.26155	0.2
224.04735	0.3
225.05566	1.3
227.03586	0.4
239.03426	1.5
240.04314	1.7
267.02982	0.7
268.03760	25.9
269.04538	100.0
270.04874	6.4
311.05685	0.4
337.10687	0.4
355.24963	0.3
401.29199	0.2
410.95514	0.2
413.08771	0.7
431.09665	0.4
432.48029	0.2
517.30719	1.4
560.24969	0.3
577.15588	49.6
578.15894	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	576.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55796	0.4
54.30416	0.4
59.01379	23.7
68.55554	0.5
70.83987	1.2
78.95903	24.8
80.96504	2.6
89.71198	0.5
96.96971	0.6
97.49633	0.5
120.31602	0.4
122.97504	0.4
147.96269	0.4
152.99614	3.5
168.04321	3.2
224.06918	10.8
233.99144	0.5
242.07933	3.3
259.20447	0.6
275.20441	0.6
277.21704	100.0
278.22046	7.0
305.98053	0.5
383.58505	0.5
496.72595	0.6
502.29379	69.3
503.29565	7.8
558.62775	0.5
577.26941	3.4
581.86542	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
70.20927	0.8
70.21321	0.7
79.95766	0.3
80.96519	1.3
104.44331	0.4
131.89871	0.4
277.21634	0.4
278.22006	0.4
464.69397	0.4
476.21564	0.3
484.41898	0.4
528.80981	0.4
577.26758	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	576.318
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39562	2.3
61.27161	2.5
61.98834	100.0
65.50692	2.3
68.90005	2.3
69.56069	15.5
89.74628	2.4
146.19310	2.5
224.54547	2.5
351.45792	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	576.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	18.5
61.98810	0.2
69.86308	0.7
71.01349	0.2
71.11143	0.2
76.58833	0.2
78.95900	7.3
83.05051	0.2
139.58820	0.2
152.99573	1.6
168.04280	1.9
168.99535	0.2
224.06963	1.0
233.22711	0.5
242.07997	2.6
259.20578	0.5
275.20099	0.5
277.21707	100.0
278.22055	6.5
502.29385	30.5
502.37238	0.3
503.29630	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	575.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10154	0.7
59.01382	12.1
59.99757	0.7
63.28631	0.7
69.77409	4.3
71.01377	2.6
73.02950	0.8
78.95886	1.2
83.01366	1.4
85.02980	0.7
87.00889	0.8
89.02434	3.6
101.02431	3.4
113.02448	1.3
152.01129	0.7
161.04558	1.0
179.05667	0.7
235.08202	1.9
253.09271	15.2
279.23276	100.0
280.23645	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	576.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
70.84318	1.6
78.98595	1.0
79.95753	1.3
80.96523	11.0
80.96967	1.0
83.01914	0.5
86.30694	0.6
94.42305	0.6
94.98068	3.1
100.76971	0.6
106.98078	0.7
122.97636	1.1
134.97623	0.9
147.86360	0.6
152.98662	1.5
164.98650	2.3
185.76497	0.6
225.00766	2.5
269.02484	0.7
277.21747	1.3
363.88800	0.6
400.88452	0.7
413.01904	0.6
515.37305	0.6
577.26837	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	575.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42401	1.6
57.27562	2.0
58.38955	1.8
59.44310	2.0
60.99300	6.8
61.98846	3.4
71.53997	3.8
87.00861	4.7
88.00401	17.3
88.04034	13.7
88.98806	31.7
89.02446	100.0
207.11371	1.8
249.18462	3.3
290.00583	1.8
297.90018	1.8
566.16656	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46854	2.6
59.01378	6.9
60.77958	2.5
60.99302	5.3
61.98824	6.1
69.27423	14.9
69.27850	7.8
72.73765	2.4
81.96812	2.4
82.86558	2.4
87.00858	4.6
87.51740	2.7
88.00426	15.5
88.04047	9.8
88.98802	47.0
89.02445	100.0
242.08046	3.0
261.16257	2.7
328.22202	2.4
417.84277	2.6
469.60681	2.8
497.93484	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	574.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82872	0.4
58.21116	0.5
58.95739	0.5
61.98848	0.5
69.40942	3.5
91.41766	0.5
98.20711	0.9
110.15774	0.5
113.02520	0.5
120.01254	100.0
121.01598	1.3
483.47128	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.7
61.98831	20.8
62.80038	1.5
66.91530	1.7
69.43113	1.9
69.69653	9.7
70.02983	4.9
71.01392	2.0
71.02515	3.9
73.04064	5.9
81.02197	6.1
82.02980	10.0
82.06598	2.3
85.04076	2.2
96.00908	19.3
96.96026	21.9
98.02475	22.0
109.01688	9.0
109.04084	20.3
109.60503	1.8
110.02480	39.5
111.01994	6.3
112.00415	1.8
113.03590	5.6
114.01961	8.1
115.08774	1.8
122.09812	3.0
127.05142	21.5
130.08743	88.2
131.09100	3.0
135.02022	5.7
135.05704	2.2
136.04037	1.9
138.09251	27.2
139.08740	5.7
140.07199	4.5
152.04677	5.8
153.03058	53.9
161.03508	2.7
165.10307	3.5
166.08719	31.4
167.08215	2.2
168.09068	2.2
168.10330	3.4
170.05716	48.4
171.04106	15.0
188.06805	3.1
191.05620	3.8
197.16660	4.6
199.18211	4.0
204.09033	2.9
210.07701	5.6
214.04790	2.0
214.08307	5.2
225.16069	11.9
232.09384	6.7
233.16577	5.7
235.18158	13.1
236.16484	2.1
243.17113	4.8
243.79239	2.4
253.19240	4.8
261.16083	16.4
268.20209	2.5
269.61765	2.0
279.17047	10.8
297.17993	2.4
323.16132	100.0
324.16516	4.5
341.17120	11.2
441.23578	3.5
459.24435	2.8
477.19989	22.0
494.22388	13.6
495.20975	13.3
503.21606	3.9
512.23401	22.7
513.23352	3.0
521.22418	32.1
522.22705	2.9
530.24622	4.3
538.25262	21.8
539.23590	29.1
540.23682	4.9
556.26208	60.6
557.25903	9.1
574.27167	39.5
575.27856	5.0
602.19183	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	572.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65990	0.3
55.01883	0.7
57.03431	0.9
57.16240	0.3
58.00584	1.3
58.02982	0.5
59.01381	31.9
61.98834	0.4
63.95274	0.4
71.01384	42.6
72.01708	0.5
72.99304	1.4
73.02941	1.5
83.01372	1.8
85.02951	5.8
87.00879	1.1
88.04043	38.5
89.02449	13.4
95.01382	1.4
95.60636	0.4
96.99318	1.2
99.00890	1.1
101.01794	0.7
101.02448	11.2
103.11618	0.4
109.74335	0.3
111.00891	0.4
113.02435	6.1
115.00381	16.6
119.03510	6.2
131.03481	0.4
132.03021	4.7
143.03487	0.4
161.04594	1.5
174.42857	0.3
179.05637	2.1
222.18433	0.5
223.17026	0.9
233.32405	0.4
277.21796	2.4
295.22757	1.5
348.25430	0.4
367.89056	0.4
456.29636	6.5
457.28070	28.9
458.28369	2.9
528.31647	5.3
529.32068	0.6
554.29498	1.5
572.30743	100.0
573.31049	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	574.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81591	1.4
57.45613	2.0
58.24010	1.4
59.01352	2.0
59.24296	1.5
59.91408	1.4
61.98838	9.2
62.80173	1.9
69.21919	7.8
69.22334	6.1
69.25085	1.5
69.80259	1.5
70.06020	1.7
78.95906	100.0
84.41724	1.6
89.02405	1.9
96.96007	3.4
96.96952	4.8
98.95586	1.6
99.92577	13.8
112.25264	1.5
114.94975	8.2
115.92081	14.5
116.92834	7.1
140.01213	2.1
141.96037	12.8
150.98041	2.8
152.99590	57.2
178.88501	9.0
179.89238	27.0
180.90100	8.1
196.89474	34.7
204.92314	2.4
205.93059	3.8
219.92401	1.7
235.91728	4.9
237.92326	1.9
242.64880	1.7
252.92015	2.2
275.19992	2.8
277.21729	33.6
277.95255	4.5
322.47980	1.8
330.61911	1.8
431.21771	3.2
474.26331	4.3
497.13901	4.5
500.27048	2.2
514.14154	7.2
538.16632	12.3
539.16998	2.2
556.17731	6.9
574.18762	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	572.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	0.5
59.39772	0.2
61.98832	100.0
71.01371	0.3
78.91905	0.4
80.91702	0.4
82.36929	0.2
96.96017	3.0
98.19900	0.4
98.95557	0.3
101.02441	0.2
114.73873	0.2
136.25464	0.2
149.20789	0.2
160.77550	0.3
199.86125	0.2
249.93033	0.2
344.25357	0.2
354.56238	0.2
572.26324	1.8
573.25873	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.60054	0.2
61.98830	100.0
67.94901	0.2
71.02109	0.4
96.96015	2.0
108.40680	0.2
128.03531	0.3
152.75761	0.2
155.10869	0.2
156.11147	0.2
399.26044	0.2
570.23529	1.1
571.26843	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	17.7
60.99294	23.8
61.98820	26.4
70.09688	32.7
78.95863	6.9
88.05976	7.2
88.98808	100.0
92.40546	7.8
96.99177	8.6
97.14211	7.2
103.92027	11.3
114.09335	7.7
157.31674	7.6
171.10196	9.7
236.63762	7.9
401.20383	7.4
535.19818	20.0
571.17792	15.5
571.27295	18.5
571.36267	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	572.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50563	0.7
58.13031	0.6
59.01384	2.1
60.99297	1.1
61.98834	7.6
63.96214	0.8
65.16441	0.7
71.01383	1.2
71.54164	0.8
79.62413	0.6
85.02921	1.4
88.98808	3.0
89.02445	1.3
93.03426	1.1
96.96002	0.6
101.02431	1.3
111.00874	10.2
119.05029	89.0
120.01253	73.5
120.05384	2.6
128.03534	1.5
130.08745	0.6
136.04103	0.9
145.02922	1.1
163.04010	100.0
164.04312	3.4
177.05547	1.7
191.05725	0.7
205.05145	0.7
213.05600	1.4
225.11371	0.8
241.64221	0.8
269.14050	0.7
273.06183	1.4
307.08151	1.2
355.22296	0.7
375.10837	1.0
419.09811	5.2
420.10077	1.3
451.12485	10.0
452.12918	0.8
572.14532	2.2
572.29633	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59471	0.8
54.03465	0.6
57.03454	0.9
58.00594	1.8
58.02962	1.5
59.01378	29.5
59.67018	0.7
61.98816	3.2
71.01382	31.6
71.05021	2.9
72.99288	1.1
73.02930	2.1
83.01369	1.9
85.02961	5.5
87.00890	1.2
88.04042	33.1
89.01931	1.4
89.02445	17.8
91.16132	0.7
95.01364	1.7
96.96030	0.9
98.20279	6.9
101.02438	12.3
103.20875	0.7
109.86838	0.9
111.25575	0.8
113.02459	7.3
115.00372	16.2
115.47758	0.8
119.03508	9.1
132.03040	5.5
132.25433	0.7
143.03470	1.6
147.76678	0.7
159.46794	0.7
161.04532	2.7
179.05611	4.1
275.20114	3.2
346.23749	4.5
378.41757	0.8
455.26477	16.3
471.23392	1.0
526.30078	1.7
552.28192	1.8
570.29169	100.0
571.29474	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	570.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59471	0.8
54.03465	0.6
57.03454	0.9
58.00594	1.8
58.02962	1.5
59.01378	29.5
59.67018	0.7
61.98816	3.2
71.01382	31.6
71.05021	2.9
72.99288	1.1
73.02930	2.1
83.01369	1.9
85.02961	5.5
87.00890	1.2
88.04042	33.1
89.01931	1.4
89.02445	17.8
91.16132	0.7
95.01364	1.7
96.96030	0.9
98.20279	6.9
101.02438	12.3
103.20875	0.7
109.86838	0.9
111.25575	0.8
113.02459	7.3
115.00372	16.2
115.47758	0.8
119.03508	9.1
132.03040	5.5
132.25433	0.7
143.03470	1.6
147.76678	0.7
159.46794	0.7
161.04532	2.7
179.05611	4.1
275.20114	3.2
346.23749	4.5
378.41757	0.8
455.26477	16.3
471.23392	1.0
526.30078	1.7
552.28192	1.8
570.29169	100.0
571.29474	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	570.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14828	0.5
58.02975	8.6
59.01358	0.6
61.98832	3.7
65.99060	0.6
66.03494	1.1
70.02966	0.9
71.01369	0.8
72.00908	1.2
74.02470	17.6
78.95888	1.0
81.04577	1.2
82.02985	1.3
82.57958	0.5
85.04073	0.9
86.02472	5.7
86.06099	1.2
86.99089	1.8
87.05646	3.6
88.04021	0.6
90.00196	1.0
96.95999	1.8
97.04045	1.7
99.05023	1.1
99.05643	13.9
101.07190	2.3
102.05604	2.4
107.06181	0.8
109.04060	2.4
109.07715	0.8
111.05619	1.2
112.04025	2.1
113.03560	1.0
116.01774	0.9
116.92881	0.7
120.01252	0.6
123.05639	1.5
124.04023	1.6
124.07575	0.7
125.03558	1.8
127.05122	2.2
128.03537	39.7
131.04608	1.1
135.05644	4.1
137.07175	1.3
141.06708	3.5
143.04620	51.8
144.04927	0.9
145.06183	2.5
146.04601	5.0
149.07166	0.6
153.06688	3.7
160.00732	16.1
166.09854	2.3
167.04608	4.2
167.08237	2.6
170.03304	1.4
177.03362	6.6
179.04613	11.3
181.06195	1.9
185.05664	2.1
192.07793	1.4
197.05666	1.8
210.00237	0.6
210.08827	11.2
213.03374	1.2
228.09865	1.0
242.07759	1.5
254.07820	20.3
255.08224	1.0
272.08862	30.7
273.09286	1.3
288.06616	10.4
306.07639	100.0
307.07953	4.7
360.60611	0.6
441.20364	1.0
570.24927	11.8
571.25714	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49252	0.4
59.01380	100.0
60.01735	0.6
61.98834	4.0
68.04044	0.5
70.39760	1.7
71.01386	2.3
72.07605	0.4
73.02966	1.0
80.18510	0.4
85.02952	0.9
89.02451	0.5
90.87486	0.4
93.51528	0.5
94.98260	0.5
98.20560	0.6
101.02431	1.2
103.98946	0.5
113.02483	1.4
137.70728	0.4
161.04581	1.4
195.67928	0.4
208.45137	0.4
241.94955	0.5
326.89401	0.6
428.39899	0.5
449.29532	0.5
467.29678	2.9
569.35101	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2424
Annotation	N-Methylurabaine
Peak:m/z	Relative Intensity
59.01373	0.6
61.98833	11.2
63.33738	0.2
70.84010	0.6
79.04366	0.3
79.95741	3.6
93.03418	0.3
96.96012	100.0
98.95603	0.5
108.59013	0.3
148.03081	0.2
341.23215	0.4
465.64435	0.2
569.24231	58.6
570.24561	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	569.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20759	0.2
57.32658	0.2
59.01378	1.5
61.98820	0.3
68.31918	0.2
70.23627	0.6
71.01378	0.7
72.52687	0.2
73.02946	4.2
75.00898	0.3
75.05214	0.2
83.05012	0.3
85.02947	0.3
87.00912	0.3
89.02427	0.4
90.61468	0.2
96.96039	0.4
96.96950	0.2
99.00884	0.8
99.92583	9.1
100.92633	0.2
101.02473	0.6
102.83057	0.2
114.93391	0.3
115.00381	0.2
116.07160	0.4
116.49957	0.2
116.92863	100.0
117.01937	8.2
117.05573	0.2
117.92876	2.9
126.01245	0.2
128.03642	0.2
153.37558	0.2
165.05598	0.3
171.10289	0.6
191.05608	0.3
223.13332	0.4
225.16125	0.3
267.12589	0.3
345.92661	0.2
369.15601	0.3
372.41833	0.3
397.13702	0.4
429.17770	0.4
438.84705	0.2
451.32767	2.3
521.20520	0.2
569.28577	1.1
570.25507	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	568.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.3
61.98830	100.0
71.01366	0.6
71.53086	0.4
78.95898	0.5
88.77440	0.4
89.42020	0.4
96.96008	9.1
98.95605	1.2
109.06512	0.4
113.09746	1.0
115.03430	0.4
121.01146	0.4
144.70760	0.4
169.16315	0.5
175.08861	0.3
206.54512	0.4
212.15968	0.4
242.08199	0.6
275.20264	0.8
293.21225	7.7
387.75589	0.4
518.28888	5.1
543.35419	0.5
568.26947	2.3
569.29163	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1891
Annotation	Pyrolaside A
Peak:m/z	Relative Intensity
55.01875	0.7
57.03440	0.7
58.00562	0.6
58.40997	0.5
59.01378	6.1
61.01018	0.5
61.29617	0.5
61.98835	4.8
62.07480	0.5
71.01372	4.8
71.53877	0.7
72.99309	1.4
73.02946	1.1
75.00868	5.1
83.01379	1.8
85.01021	6.7
85.02958	2.7
87.00877	1.2
87.04514	0.7
87.78552	0.5
88.98794	1.4
89.02445	2.4
91.05528	1.0
93.03465	0.6
95.01437	0.5
96.96005	1.8
99.00877	1.1
99.08170	0.7
101.02444	3.6
103.00367	2.0
111.00889	0.6
112.98808	6.8
113.02459	4.5
113.07146	0.5
115.00346	1.3
115.02072	1.3
116.92892	0.6
117.01906	0.5
119.03562	0.6
119.05003	0.6
124.98774	1.3
125.02429	0.9
127.02066	1.2
128.03467	0.8
129.01939	1.1
131.03400	0.5
135.02966	1.0
142.99864	1.2
143.05161	1.0
145.01428	8.6
145.03131	1.7
147.22784	0.5
151.03987	0.6
157.01436	2.5
157.03070	1.0
161.08217	0.6
161.72688	0.6
163.04007	3.1
169.03120	1.2
170.72617	0.6
171.01102	0.6
173.04539	0.6
187.02527	1.0
187.04193	1.4
187.07787	1.5
191.05595	4.2
205.05206	0.8
234.75467	0.6
243.17223	0.7
263.05743	1.1
333.06351	2.0
349.13101	10.5
350.13571	0.7
363.14520	1.7
391.13928	0.9
391.75485	0.6
421.11542	1.5
525.23016	0.8
537.16437	0.9
569.18939	100.0
570.19275	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	567.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91413	2.0
59.01105	3.8
59.01381	53.7
59.72651	2.2
60.83501	2.0
61.98824	4.1
69.32090	2.1
69.52517	16.6
70.88577	2.2
71.01379	25.8
73.02945	10.0
83.01372	5.2
85.02966	9.6
92.90601	2.1
93.71786	2.3
94.46146	2.1
95.01394	2.4
96.96017	5.5
98.20682	2.3
101.02451	11.3
113.02460	8.5
133.08591	2.4
149.99661	2.4
247.92329	2.4
269.95987	2.7
279.83417	2.5
303.23279	15.6
343.20892	2.5
382.44742	2.4
463.26990	2.4
481.27975	9.6
523.29114	100.0
524.29565	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	567.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	44.3
61.62484	5.3
61.98831	95.1
69.95332	13.0
69.95724	11.0
71.01380	22.8
73.02924	7.1
78.95906	22.2
82.08380	4.3
84.14066	4.7
85.02955	12.4
96.96002	12.6
98.19928	5.2
101.02429	14.5
101.74879	4.4
101.82355	5.5
109.11069	6.4
113.02453	6.4
152.99590	23.9
153.99960	8.2
227.52983	5.2
249.18436	8.7
250.18869	7.4
303.23285	10.8
309.27286	5.2
398.73553	5.3
402.40036	5.9
481.28210	11.9
482.28406	46.7
523.29169	100.0
524.29480	14.5
567.25385	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.3
61.54453	0.1
61.98829	6.0
63.29152	0.1
73.02911	0.1
79.95738	2.3
85.02983	0.1
96.96010	100.0
97.95968	0.4
98.19852	0.2
101.02479	0.1
155.10797	0.3
170.63924	0.1
184.65648	0.1
232.38681	0.1
281.90738	0.1
488.45041	0.1
507.35568	0.1
567.22150	2.3
567.31036	0.3
567.34363	0.3
568.23077	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60180	14.7
53.13924	13.4
59.01365	19.9
61.98830	100.0
71.52174	21.7
78.95905	29.3
96.60435	13.9
96.95990	59.2
152.99564	47.2
223.58533	13.0
255.15820	16.1
274.93085	13.2
463.26776	18.6
523.29004	30.6
529.92004	16.3
567.25861	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	567.2267
Annotation	Chinikomycin A
Peak:m/z	Relative Intensity
50.76415	0.2
51.87987	0.2
55.85707	0.2
59.01382	0.6
66.65749	0.2
70.54545	0.7
71.01376	0.2
73.09303	0.2
74.54858	0.2
77.43356	0.2
79.95734	2.7
96.96013	100.0
127.68285	0.2
137.86237	0.2
173.06149	0.2
468.01669	0.2
508.48877	0.2
567.22699	20.1
568.22943	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	566.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10275	0.6
56.32104	0.7
59.10837	0.6
61.98830	100.0
70.01359	3.0
70.47072	0.6
71.10070	0.6
78.95899	5.7
118.43636	0.6
123.99924	0.6
133.28566	0.6
152.99602	7.5
157.29338	0.9
171.00647	2.4
172.83540	0.6
227.03096	1.1
242.38419	0.7
245.04285	10.4
253.21767	5.1
254.21931	0.9
255.23482	1.1
256.23575	1.3
481.25702	10.9
566.23584	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	566.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	2.9
61.98828	100.0
62.34227	0.8
69.92239	1.6
69.92628	2.1
71.01396	4.2
78.95898	18.0
85.02938	1.3
90.43202	0.8
96.96021	4.3
96.96994	4.5
98.20665	0.9
101.02425	1.6
113.02448	1.2
115.92064	3.0
125.91746	0.8
137.09793	0.8
142.16441	1.0
152.99576	20.7
153.99893	3.1
223.00136	1.0
241.01245	4.1
249.18610	4.9
250.18983	6.9
264.81604	0.9
277.14404	1.0
303.23416	1.7
315.04837	3.0
316.05069	1.9
375.48160	0.9
388.21133	0.9
431.49539	0.9
481.28027	25.7
482.28296	2.8
503.25665	0.9
524.55670	1.0
566.24994	27.3
567.25110	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	566.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.92312	0.1
69.24687	0.8
69.25117	0.5
74.01411	0.1
85.55690	0.1
87.06172	0.2
98.19901	0.2
102.07069	0.1
147.04536	0.1
154.84138	0.1
256.58347	0.1
312.96863	0.2
430.00336	0.1
435.45248	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.6
59.01373	2.3
61.38989	0.3
61.98829	100.0
64.82972	0.3
67.56344	0.4
71.01379	3.1
71.53887	0.6
72.99263	0.3
73.02995	0.6
78.95896	4.7
79.56149	0.3
83.01398	0.5
85.02951	2.0
86.52803	0.4
89.02460	0.9
96.96014	1.0
96.96977	1.1
97.40953	0.3
99.00920	0.4
101.02454	1.9
113.02466	1.3
131.66200	0.3
143.62613	0.3
152.99593	6.7
154.00087	0.5
168.78160	0.3
223.00130	0.4
224.00420	0.4
241.01224	1.0
242.01686	0.6
249.18651	1.2
250.19005	1.7
303.23236	1.7
315.04831	0.7
316.05087	0.6
319.23035	0.5
341.20712	0.4
399.10068	0.3
481.28046	25.8
482.28299	2.6
503.26416	0.8
566.25244	13.8
567.25751	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	565.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55791	0.1
59.01376	0.6
61.98826	0.5
71.53419	0.2
78.95904	0.3
79.95741	2.5
93.03303	0.1
96.96013	100.0
97.95953	0.2
148.57431	0.1
152.99567	0.5
159.92781	0.1
173.92815	0.1
249.18762	0.2
253.09319	0.3
269.21216	0.8
273.88992	0.1
510.42194	0.1
565.24591	2.1
565.33246	0.2
566.25757	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.4
57.03441	1.0
58.00588	0.5
59.01376	12.1
61.98826	8.3
62.15893	0.5
66.04164	0.4
67.27795	0.4
69.03461	0.8
70.92095	0.7
70.92453	0.8
71.01007	0.9
71.01379	12.9
72.01691	0.4
72.99309	1.5
73.02940	3.8
76.65786	0.5
78.95907	0.9
83.01379	3.0
85.02945	5.9
87.00871	2.1
89.02442	3.6
95.01357	0.9
99.00877	1.5
100.82848	0.4
101.02445	7.4
111.00874	1.1
113.02457	2.3
125.02444	1.7
131.03459	0.7
143.03493	0.5
175.59901	0.5
201.54132	0.5
225.22153	1.0
253.21736	0.9
271.22772	20.7
272.23187	1.2
285.24228	0.6
313.24088	0.7
350.00571	0.4
364.19498	0.5
415.26910	4.9
433.28036	27.0
434.28342	2.0
474.85071	0.4
547.31335	1.3
565.32227	100.0
566.32599	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	565.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.4
61.89517	0.6
61.98831	17.1
71.01377	2.2
71.20573	1.1
71.20891	0.7
74.40634	0.6
78.95905	68.1
85.02978	1.0
85.76554	0.7
93.88803	0.6
96.96967	12.0
98.20481	0.7
101.02486	0.8
150.98012	1.3
152.99593	100.0
153.99924	0.7
156.41064	0.7
166.87138	0.7
171.00653	2.3
203.00670	0.7
223.00102	9.1
231.17627	1.4
241.01201	26.8
242.01514	0.7
249.18584	46.7
250.18883	3.1
259.02249	1.7
265.57748	0.7
268.79691	0.7
315.04865	19.6
316.05255	1.2
330.88977	0.8
333.05890	1.8
439.55746	0.7
481.28046	8.7
505.26614	0.7
565.24170	84.5
566.24805	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	565.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	5.8
60.15035	1.2
61.98816	5.6
70.47783	2.5
70.48151	2.2
74.81395	1.1
78.95901	84.2
96.96967	17.4
98.20273	1.7
133.79065	1.3
152.99580	63.6
183.07773	1.8
197.27319	1.3
223.00148	2.1
227.06676	1.8
231.17444	1.4
241.01180	34.3
249.18576	46.2
250.18925	2.2
261.05515	1.9
315.04776	12.5
328.37619	1.3
385.17853	9.3
391.73450	1.3
403.19138	2.0
467.12387	1.5
523.29291	1.5
563.03687	1.4
565.24139	100.0
566.24567	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	564.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08234	1.3
52.10941	1.4
59.01380	2.9
61.98828	100.0
67.01882	1.8
68.94900	1.4
70.92908	2.9
71.01388	1.6
85.02945	2.5
87.00848	1.5
93.03447	10.2
94.03766	3.1
98.13668	1.5
111.04502	2.0
135.04486	6.5
136.04840	3.8
137.02339	1.6
173.04544	12.1
174.04880	3.8
191.05606	14.8
192.05940	5.2
204.53773	1.5
205.40111	1.5
211.76344	1.6
232.98796	1.7
263.88004	1.6
289.78568	1.6
308.09116	1.6
328.16315	2.4
351.07178	1.6
352.07950	1.7
372.15317	3.2
402.67688	1.5
546.67841	1.7
564.21716	5.9
565.22223	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16467	0.3
58.99293	0.3
59.01387	1.5
61.98830	100.0
66.27831	0.3
69.46639	2.5
71.01381	1.0
73.02944	0.4
85.02950	0.7
89.02450	0.9
93.03438	0.6
101.02441	0.7
113.02418	0.4
117.44440	0.4
169.05023	0.3
173.04549	0.5
175.09134	0.3
191.05653	1.5
192.05978	0.6
253.09297	0.5
327.21902	0.4
328.22171	1.4
371.15155	0.5
372.15497	0.8
386.45761	0.3
399.65469	0.3
399.71054	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24195	0.2
58.79401	0.2
59.01365	0.2
61.98832	100.0
62.38192	0.2
66.55853	0.2
69.35193	1.8
71.01392	0.2
79.95745	0.8
89.40189	0.2
187.47411	0.2
190.25528	0.2
301.19174	0.3
309.88919	0.2
436.87238	0.2
564.23730	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65910	0.1
61.98831	100.0
62.32663	0.2
69.34296	0.8
69.34725	0.6
93.03465	0.4
98.20602	0.3
111.87712	0.1
135.04532	0.3
143.73564	0.2
173.04593	0.4
177.10135	0.2
190.65445	0.2
191.05652	0.5
192.06058	0.2
290.46967	0.2
306.39093	0.2
380.95575	0.2
441.91058	0.2
562.60474	0.2
564.21979	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73172	0.2
59.01371	0.3
61.98830	100.0
64.62656	0.2
69.33744	0.4
69.34164	1.0
78.95906	0.3
93.03448	0.5
126.09006	0.2
134.03670	0.2
135.04590	0.3
173.04547	0.6
174.04941	0.2
177.98639	0.2
191.05621	0.5
192.05850	0.2
204.51579	0.2
248.95197	0.2
349.18134	0.2
432.85532	0.2
564.21680	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88466	0.2
59.01380	50.7
60.01710	0.6
61.98829	1.8
66.91110	0.3
69.17341	2.7
71.01385	1.1
78.95887	0.3
85.02964	0.5
85.06586	0.3
87.00858	0.3
89.02435	0.7
91.63699	0.3
93.03456	0.2
96.95999	2.7
99.00881	0.4
100.13966	0.2
101.02483	0.7
113.02449	0.7
113.06114	0.8
115.00381	0.4
120.01134	0.2
121.02974	0.4
121.32124	0.3
124.04091	0.3
128.03528	0.4
131.07143	100.0
132.07483	2.0
132.08344	0.3
133.96565	0.3
144.07802	0.3
157.05040	0.6
173.04517	0.5
191.05594	0.9
248.03801	0.4
269.10287	0.4
390.08194	0.5
563.23602	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.23
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.2
59.13249	0.2
61.98832	100.0
64.15451	0.2
69.78232	0.9
71.01393	0.6
72.81872	0.2
80.56103	0.2
89.02455	0.5
93.03467	0.2
96.96051	0.3
101.02430	0.4
109.01694	0.2
113.02460	0.2
128.03580	0.3
130.08765	0.2
136.69104	0.2
143.04625	0.6
148.04333	0.2
149.04623	0.2
149.87566	0.2
173.04591	0.5
180.07880	0.2
191.05629	0.6
210.07225	0.2
217.93723	0.2
226.89621	0.2
269.04639	0.4
270.05026	0.5
322.98718	0.2
343.83246	0.2
505.26495	0.5
520.28009	0.2
564.26538	0.9
565.25500	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46222	0.2
59.01386	1.0
61.98830	100.0
69.79789	0.4
69.80197	0.9
71.01382	0.8
73.02925	0.3
85.02943	0.3
89.02483	0.5
93.03478	0.2
96.95985	0.3
113.29904	0.2
130.62503	0.2
143.04683	0.6
173.04559	0.5
191.05627	0.6
260.50525	0.2
269.04568	0.5
270.04987	0.7
302.04672	0.2
310.03857	0.2
378.25662	0.2
384.11603	0.3
505.26746	0.3
520.27417	0.2
564.26892	0.9
565.25269	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69895	2.3
60.99120	2.9
61.98829	100.0
71.15100	4.2
71.15432	3.9
78.95901	13.4
99.14183	2.4
100.85618	2.4
104.54179	2.4
113.81645	2.9
131.05215	2.8
144.53923	2.8
152.99646	13.3
171.10242	8.7
249.33394	3.0
255.23305	17.6
356.66278	2.8
391.22488	5.8
426.54962	3.1
553.51971	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	563.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47192	1.4
57.03431	1.1
59.01371	6.1
61.98829	43.0
67.01877	3.9
71.01383	7.6
85.02958	9.7
87.00870	4.8
91.56386	1.1
93.03466	25.4
102.05606	8.8
107.14682	1.1
108.02208	1.4
109.02952	3.3
111.00912	2.0
111.04509	4.5
121.02977	1.5
124.01646	5.0
125.02425	2.4
127.03979	2.4
128.03551	11.5
133.02998	7.0
134.03737	11.4
135.04524	72.3
136.04892	1.7
137.02501	7.5
139.04001	2.2
146.04636	2.9
150.03210	3.2
151.03996	10.0
155.03490	2.6
160.01572	2.5
161.02393	3.6
173.04546	67.0
174.03195	1.2
174.04842	2.0
177.01888	3.0
178.02715	9.4
179.03487	17.7
180.04182	1.5
191.05609	100.0
197.06125	1.8
200.04677	1.6
228.04134	1.4
229.58185	1.4
271.22781	2.6
272.23169	1.3
283.13361	2.5
299.16461	1.5
307.08224	3.5
308.09070	11.5
309.14938	4.6
327.16031	14.7
343.15601	2.7
345.17087	13.0
351.07257	3.7
352.07993	21.2
353.08731	1.4
353.13797	3.6
371.14969	49.0
372.15186	4.4
385.04306	1.4
389.16034	4.5
433.27927	4.4
434.28415	6.7
541.79047	1.2
545.31537	1.6
562.32300	7.7
563.21338	10.1
563.32660	23.4
564.22052	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	562.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34148	0.3
60.86653	0.3
61.98822	0.7
64.05234	0.3
69.31530	2.0
78.95904	7.6
83.58038	0.3
85.06596	2.5
94.65850	0.2
96.68176	0.3
127.13338	0.3
140.01183	3.1
152.99609	0.6
191.05704	0.3
196.03766	1.3
199.13425	1.1
214.04857	3.8
227.94023	0.3
251.20230	0.3
261.18512	1.1
279.19650	18.0
280.19931	1.4
297.13165	0.4
347.25891	5.8
363.25394	0.8
365.26944	100.0
366.27289	8.4
562.31488	17.0
563.31805	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	562.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01601	0.6
61.98827	1.7
71.54470	0.7
75.00874	26.3
76.01196	1.9
78.91889	7.5
78.95905	35.2
80.91682	15.7
82.17111	0.6
83.04996	0.8
95.25539	0.6
96.96980	0.6
122.00141	1.2
125.09904	0.7
137.98654	0.6
140.01186	8.1
144.94083	2.8
144.96384	0.7
146.93869	4.7
152.99553	2.6
155.14392	1.0
163.11288	0.7
165.12802	0.7
181.12256	1.0
196.03801	14.5
199.13399	22.6
200.13800	1.0
201.96173	5.1
203.80222	0.6
203.96010	8.6
214.04846	2.8
279.19644	8.8
347.25961	7.0
365.26947	100.0
366.27219	7.7
388.53940	0.7
488.64291	0.7
501.17682	0.8
562.31488	54.1
563.31775	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	561.328
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87546	1.5
55.01858	1.4
56.42365	1.5
57.03459	2.7
59.01380	100.0
61.98830	80.8
70.93025	2.1
71.01006	2.6
71.01384	32.4
72.99310	2.5
73.02917	7.4
73.22791	1.8
83.01374	3.9
85.02959	11.3
88.98819	1.8
89.02448	9.2
93.03442	2.1
95.01398	4.2
96.96008	2.7
99.00891	5.9
99.01495	1.6
101.02445	15.3
112.98579	1.9
113.02443	11.2
117.63030	1.8
119.03493	4.4
143.03452	2.0
145.09810	2.8
159.02988	3.3
161.04588	23.8
171.10243	4.0
173.04533	3.6
191.05632	6.6
225.11235	2.6
288.92688	1.5
303.50705	1.5
374.06262	1.9
375.24515	1.6
399.32080	2.9
501.30750	53.0
502.30893	10.8
561.29462	4.5
561.37506	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	562.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45139	0.3
59.01395	0.5
61.98834	100.0
66.84425	0.3
91.45366	0.3
105.44354	0.3
108.04625	0.3
139.17767	0.3
191.05678	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78624	1.3
55.01881	2.6
56.74902	1.1
57.03444	2.4
58.00587	1.6
59.01379	62.3
61.98829	100.0
69.34726	8.0
69.35139	3.3
71.01385	44.6
72.99315	3.0
73.02948	11.2
80.58564	1.2
83.01383	4.5
85.02951	14.7
86.75607	1.3
87.00888	2.3
87.04528	1.8
89.02443	28.4
93.03445	2.1
95.01384	3.2
96.96021	4.4
99.00864	6.9
101.02446	29.3
113.02444	14.5
113.06074	1.7
119.03477	7.6
125.02446	2.5
131.03519	2.0
143.03464	3.0
149.04570	5.3
151.00349	1.6
159.02974	2.2
161.04562	13.2
171.10287	2.0
173.04512	3.4
178.99869	2.7
179.05600	3.1
191.05634	7.2
197.11827	3.0
233.14517	1.3
247.72620	1.4
248.52609	1.7
253.09332	1.6
302.04364	1.8
325.20264	1.5
339.25513	2.4
399.10855	2.2
401.21851	2.4
429.24777	7.6
501.30664	43.6
502.31021	5.2
503.25159	2.0
561.29242	23.7
562.29651	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	561.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	61.3
61.98827	100.0
71.01379	34.1
71.54966	3.3
72.99310	4.0
73.02943	7.6
83.01383	3.1
83.05026	2.4
85.02971	12.0
87.00875	7.2
87.04532	3.6
89.02432	26.4
93.03487	9.3
93.21358	1.9
95.01346	3.0
96.96021	4.9
99.00860	5.7
101.02444	24.9
109.06565	2.2
113.02442	12.0
118.98928	1.8
119.03493	7.1
128.03487	2.1
129.01970	2.5
134.03766	2.5
143.03488	4.1
143.04558	2.5
149.04533	4.6
161.04558	11.4
166.46739	2.0
171.10304	4.1
173.04543	5.2
179.05626	3.6
180.30141	1.8
191.05612	10.4
204.50517	1.9
292.26849	2.0
292.85733	2.5
293.08972	2.6
307.19031	2.4
325.20309	2.8
339.25330	3.0
399.10361	2.8
501.30640	31.3
502.30637	2.9
561.31470	2.7
568.10547	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22200	0.9
55.01871	2.8
56.32756	1.0
57.03434	2.5
57.62572	1.0
58.00579	4.0
59.01376	100.0
61.98828	39.6
68.14613	1.0
71.01379	63.3
72.01738	1.0
72.99311	4.7
73.02946	3.8
74.03332	0.9
83.01374	5.4
85.02948	15.3
87.00877	2.6
89.02441	68.6
95.01391	3.9
96.96041	1.2
99.00881	1.9
101.02441	42.5
111.00900	2.3
113.02447	22.8
113.17296	1.0
119.03498	38.1
121.73842	1.2
128.86502	0.9
131.03441	2.9
134.55829	0.9
143.03503	5.3
144.16141	0.9
149.04504	1.3
159.03018	1.0
161.04532	6.6
173.04538	1.4
178.99887	1.2
179.05566	8.2
191.05605	2.1
399.23984	5.7
410.33746	1.2
501.30768	5.3
561.29199	92.1
562.29535	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	561.2919
Annotation	Atractyloside D
Peak:m/z	Relative Intensity
55.01872	4.3
57.03444	6.1
58.00579	2.7
59.01381	69.8
61.98830	34.7
62.86742	0.9
71.01385	72.6
71.02517	1.8
72.99300	3.7
73.02953	16.3
75.00874	2.1
83.01385	7.1
85.02953	28.5
87.00881	4.0
87.04532	1.1
89.02449	37.0
95.01382	5.5
96.95994	1.0
97.02945	1.5
99.00892	7.8
101.02445	45.4
101.06269	1.1
102.03442	1.0
111.00877	3.4
113.02454	26.0
119.03498	18.9
125.02425	1.1
128.03513	3.7
129.01949	6.3
131.03468	1.3
132.97368	1.0
143.03468	4.2
149.04578	1.2
159.02965	4.1
161.04562	17.5
163.05264	1.0
173.04604	1.2
179.05606	5.0
191.05540	1.3
360.44287	1.0
399.23901	26.1
400.24094	3.6
501.30771	13.6
502.31030	1.6
545.27521	1.0
561.29138	100.0
562.29486	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	561.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76320	1.2
53.51956	1.3
61.98829	92.2
62.96345	1.1
71.43740	1.2
71.52856	2.2
78.95905	28.9
86.44827	1.4
89.84579	1.1
103.74668	1.1
106.22622	1.1
122.00115	2.2
140.01155	6.0
148.14325	1.2
152.99535	2.9
153.17888	1.3
159.22404	1.1
173.04633	1.4
196.03781	9.6
214.04852	3.1
279.23279	100.0
280.23639	7.0
299.94763	1.4
364.21228	2.4
476.27792	65.2
477.28375	6.0
500.20102	2.4
561.25500	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63093	3.1
58.82654	3.2
59.01075	5.4
59.01379	99.0
61.98832	61.5
63.99263	4.9
65.58482	3.9
71.01382	61.8
71.54272	3.5
72.99319	5.2
73.02938	18.0
78.95925	4.9
85.02951	18.5
87.00890	10.0
89.02444	100.0
93.03450	7.8
96.96007	13.4
99.00886	23.7
101.02456	48.0
109.01707	11.8
111.00867	11.8
113.02424	12.3
113.71257	3.3
116.32621	3.3
119.03522	5.9
125.02457	6.7
126.89153	3.9
127.08826	4.1
128.03555	5.8
129.10329	11.3
131.03531	21.7
133.02946	13.2
135.04485	5.6
143.03491	6.4
144.64870	3.5
149.04553	78.0
161.04562	10.8
171.11404	5.5
173.04544	8.8
177.01884	5.4
181.09770	4.9
191.05608	57.0
197.11842	3.9
202.99840	4.4
209.11823	3.4
217.88504	3.4
221.06642	10.0
225.08856	10.6
235.02486	4.0
243.07506	3.8
251.07736	5.4
287.05606	11.5
301.60962	3.8
306.01642	3.9
311.05746	4.5
318.18317	13.2
355.04510	4.2
424.56415	4.5
501.30368	4.6
523.21869	4.3
544.27661	6.1
561.12335	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	560.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60149	0.6
55.98634	0.7
59.01382	3.5
61.98831	100.0
71.01399	2.2
73.02937	0.8
74.48656	0.6
75.00880	5.2
85.02920	0.8
89.02444	1.5
96.96018	1.1
97.58911	0.8
98.17507	0.7
99.04521	8.9
99.30772	0.6
101.02422	1.0
113.02432	1.3
144.77112	0.8
171.10287	1.0
181.12399	1.0
184.84158	0.7
191.05692	1.4
208.13660	0.9
225.11453	0.9
354.81735	0.7
397.22357	0.8
497.27686	3.5
501.30984	0.8
542.27173	0.7
560.28522	1.4
561.30493	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2316
Annotation	(2'S,3'R,4'S,7'R,9R,10S)-7'-Deoxo-2'-deoxy-2',3':9,10-diepoxy-9,10-dihydro-4'-hydroxy-7'-[(1R)-1-hydroxyethyl]verrucarin A
Peak:m/z	Relative Intensity
59.01105	1.2
59.01377	11.1
60.57161	0.9
61.98832	6.7
67.17827	0.9
71.01385	1.8
71.53928	1.1
72.00894	1.2
72.99302	1.2
73.04058	3.4
74.02489	5.8
78.95921	3.9
79.47243	1.0
82.03012	1.2
83.02505	1.3
83.33429	1.1
84.04549	3.4
85.02964	1.8
85.04066	1.4
87.00851	1.0
87.05637	12.7
88.25252	0.9
88.90996	0.9
89.02435	1.5
95.02517	1.5
96.96011	3.2
97.04065	3.0
99.02004	3.4
99.05637	3.6
101.02398	1.6
102.05607	18.2
109.04100	1.7
112.05140	2.5
113.02419	1.6
113.03568	15.6
115.08778	3.5
116.05063	6.8
120.01257	1.1
125.03579	3.4
126.06713	2.2
127.05130	15.7
127.08746	1.4
128.03542	63.5
129.03911	1.2
130.06184	2.6
131.07146	21.5
131.08153	1.6
141.06734	1.8
142.06610	1.2
144.07788	26.0
145.06155	1.5
146.04588	15.2
152.99596	2.2
156.07794	2.4
158.09337	3.3
159.07808	2.9
165.40379	1.0
171.07751	1.2
172.10925	2.6
173.04529	1.7
181.07751	4.3
183.08832	4.7
184.07332	2.2
185.05586	1.3
186.12523	1.1
188.10387	1.3
191.05623	5.3
197.10435	2.5
201.09741	1.6
201.11348	3.9
202.08353	5.6
203.08261	5.9
209.11809	2.3
210.05586	1.7
215.11519	2.0
216.09875	3.5
225.06799	1.5
241.01247	1.7
241.09355	1.9
246.10939	1.5
259.10544	4.2
260.10513	1.6
288.13815	1.2
314.11511	3.0
344.17197	3.9
345.15741	1.6
388.16275	20.8
408.12915	2.0
432.18857	14.5
473.21890	1.8
517.20325	22.8
518.21277	2.4
543.21936	1.5
561.23218	100.0
562.23749	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	558.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97200	1.8
61.98814	1.9
62.83657	1.9
69.69944	11.4
70.02975	8.0
71.01380	22.8
72.89151	1.9
81.02209	2.5
82.06635	2.0
88.04044	34.8
96.00912	38.2
98.02485	8.4
109.01703	5.4
110.03620	1.6
112.00375	2.0
114.01976	9.6
115.00369	26.9
115.08773	37.8
118.90361	1.8
124.04071	2.1
124.07674	4.2
129.10370	11.1
130.08748	15.6
132.03036	20.8
138.09258	6.6
139.08791	3.0
140.07225	2.6
141.06609	2.4
144.54591	1.9
151.08795	5.4
152.07176	19.8
155.08266	12.3
164.04671	5.4
166.08748	5.2
167.11977	2.1
168.09001	2.3
193.13425	14.7
193.23642	1.9
195.07739	4.7
201.12444	6.4
210.16083	2.1
211.14500	32.6
212.10416	6.6
221.16580	5.3
228.17123	4.3
242.87157	2.1
247.14456	5.5
264.17126	17.1
265.15524	5.1
282.18295	3.6
290.15121	9.8
308.16141	34.7
309.14459	27.8
310.14941	2.7
344.18167	2.0
380.18216	6.7
424.17123	8.5
424.25729	8.3
425.24045	34.1
426.24863	2.8
442.26608	5.6
443.25131	24.7
510.61725	2.0
522.25354	2.1
540.26764	70.1
541.26996	7.5
558.27820	100.0
559.19196	2.8
559.28137	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	557.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97625	0.1
59.01375	0.2
61.98830	100.0
63.24041	0.1
78.95915	0.5
89.73204	0.1
115.72375	0.1
151.54790	0.1
152.99619	0.3
226.42938	0.1
255.23289	1.7
256.23648	0.7
257.24011	0.4
409.23526	0.2
480.30878	0.7
482.31396	0.2
483.32022	0.5
557.32666	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.4
61.98829	100.0
62.49289	0.2
71.53018	0.3
73.87434	0.2
78.95910	0.8
143.14577	0.2
152.99573	1.1
241.21852	0.5
255.23276	1.8
256.23755	0.9
257.24066	0.2
366.91443	0.2
480.30829	0.4
483.32083	0.3
486.09256	0.3
488.14514	0.2
557.26447	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.44500	39.6
68.45005	45.4
71.01723	100.0
93.49451	48.9
111.92293	46.6
169.84630	47.5
173.29155	50.7
239.80663	48.0
503.21335	81.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
69.65932	100.0
69.66338	57.4
266.28214	29.6
286.58954	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	31.9
61.98832	4.4
62.68547	0.4
71.01378	1.6
71.54018	0.4
71.54385	0.6
72.29869	0.5
78.95928	0.5
85.02955	1.0
89.02441	1.3
96.95994	1.5
97.21569	0.4
97.37580	0.4
98.19752	0.4
101.02431	1.3
101.32994	0.5
113.02439	1.2
119.03465	0.8
128.03502	0.7
152.99593	0.8
171.10272	1.8
195.10248	0.5
211.13208	0.7
242.72830	0.5
272.32236	0.5
317.23935	0.4
329.23337	1.9
335.22269	100.0
336.22595	7.6
441.36081	0.5
471.36472	0.4
497.27344	2.2
554.31213	0.6
557.27576	6.6
558.28589	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98898	2.6
59.01381	12.0
60.99296	3.9
61.98815	8.4
71.53351	3.0
87.00890	3.6
88.00390	12.1
88.04046	17.8
88.98826	14.2
89.02446	100.0
96.96006	2.3
140.92206	2.5
153.45497	3.5
161.99429	2.9
185.28290	2.5
261.83435	2.6
269.24844	2.5
376.44046	3.0
427.20984	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	556.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.4
61.01808	1.9
61.98831	100.0
70.84613	2.6
70.84948	2.5
172.89153	1.5
203.21817	1.3
491.10025	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	555.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11725	0.6
59.01379	100.0
60.01717	0.7
61.98839	0.5
69.32813	4.7
90.13184	0.5
98.20644	1.1
121.45438	0.5
171.90887	0.7
172.10254	0.6
210.04961	0.6
249.18555	3.8
258.22269	0.7
338.58810	0.6
509.83014	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.0
59.01369	2.7
61.98853	1.2
71.01374	2.5
71.05020	4.7
79.06607	1.1
83.05025	1.4
83.87253	1.0
91.03951	1.0
97.02931	2.8
97.06580	1.9
99.00875	15.7
103.88859	1.2
121.51649	1.0
123.08164	1.4
125.09727	9.1
127.11318	0.9
127.76064	0.9
153.12877	1.0
163.11259	7.4
181.12328	16.0
197.11845	1.7
197.48798	0.9
199.13376	35.2
207.08344	2.1
207.10265	27.6
208.10385	1.1
225.11314	58.1
226.11638	3.4
234.42993	1.1
243.12331	12.8
255.23282	78.1
256.23624	4.1
299.14841	4.7
317.16006	16.5
319.19992	1.1
387.93118	1.1
469.47473	1.2
555.38971	100.0
556.39459	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	555.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01719	1.0
60.96648	0.4
62.55286	0.5
66.32654	0.5
71.01375	2.4
73.02957	1.1
78.95890	2.7
83.85214	0.5
84.23290	0.5
85.02975	1.4
96.96028	1.1
98.20750	0.9
101.02468	1.3
113.02448	1.0
140.01218	0.5
152.99635	1.6
196.03787	0.6
220.93950	0.5
277.21725	4.4
278.22015	0.6
463.26929	9.6
464.27774	1.3
470.90967	0.5
474.26184	2.9
503.30246	0.6
555.26099	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.284
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
59.01377	1.2
63.96236	0.9
67.84582	0.5
69.03456	0.9
70.54339	1.4
71.01378	8.3
73.02941	2.1
78.98592	6.4
79.95735	12.1
80.96515	76.7
81.03455	0.7
85.02945	3.3
87.00866	3.4
93.97321	0.6
94.98083	18.9
96.95961	1.0
97.02951	2.1
99.00878	0.5
101.02415	2.8
106.98081	4.0
109.76112	0.4
113.02463	0.5
122.97585	5.9
125.02433	3.4
127.03995	1.0
134.97585	5.7
136.99127	1.9
148.99153	7.4
152.98624	8.5
164.98611	14.1
179.00218	0.5
182.99628	2.7
206.99693	3.4
225.00739	20.0
226.01134	1.0
243.01784	2.4
255.23257	3.8
299.04370	3.1
342.28647	0.5
405.59103	0.6
446.88797	0.5
555.28387	100.0
556.28748	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	555.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01318	0.2
55.29978	0.2
61.98822	0.6
68.66011	0.2
71.01371	0.3
76.60266	0.2
79.95738	2.7
90.53297	0.2
96.96011	100.0
275.88901	0.2
337.52921	0.2
435.49847	0.2
450.70724	0.2
457.19070	1.3
468.31329	0.2
537.24841	0.6
555.26300	51.8
556.26611	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	555.2841
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
59.01371	1.0
63.96249	0.9
68.29511	0.3
69.03455	0.4
70.29772	1.3
71.01385	6.7
73.02951	1.9
78.98593	5.4
79.95736	9.8
80.96516	63.9
81.03479	0.8
85.02953	2.6
87.00868	2.7
94.98092	14.5
96.96018	0.8
97.02945	1.4
99.04541	0.5
101.02421	2.1
106.98100	3.1
122.97564	2.7
124.19737	0.4
125.02445	1.9
127.04000	1.0
134.97588	4.2
136.99107	1.1
148.99159	5.1
152.98640	4.0
164.98630	9.8
167.00305	0.4
167.02321	0.3
188.11812	0.3
206.99725	2.4
221.71095	0.4
225.00734	13.2
255.23332	2.1
299.04453	2.2
333.61517	0.4
555.28412	100.0
556.28705	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	554.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	21.2
69.94801	1.2
78.95905	19.0
85.38419	0.3
90.62973	0.2
102.61154	0.3
107.88245	0.3
122.98529	0.4
152.99588	3.0
168.04285	3.2
224.06924	7.0
242.07890	1.8
255.23283	100.0
256.23657	6.5
296.54816	0.3
337.21240	0.3
480.30948	56.7
481.31174	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.0
61.98830	100.0
70.20328	1.1
70.20724	0.9
76.99796	0.5
96.96032	2.4
223.36653	0.5
269.58435	0.5
347.12329	0.5
393.59937	0.5
522.19250	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91004	0.5
57.82550	0.5
59.01374	0.7
60.45240	0.5
61.98824	1.8
70.19653	2.2
71.01393	0.5
74.19148	0.5
78.95901	22.6
80.41417	0.5
80.96517	2.1
87.49254	0.5
91.79797	0.5
98.19955	0.6
115.22185	0.6
132.09250	0.5
152.99562	3.5
168.04305	3.8
194.66852	0.5
224.06897	8.5
242.08035	2.8
279.23276	100.0
280.23676	6.6
345.35376	0.5
504.30951	64.5
505.31299	6.3
554.26978	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	554.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80975	0.3
58.97579	0.2
59.01380	14.8
61.98831	2.9
69.40471	2.0
75.48352	0.2
78.95907	5.2
80.96515	1.0
94.98063	0.3
120.34961	0.3
152.71144	0.3
152.99557	1.1
168.04333	1.3
224.06920	1.1
242.07974	2.4
255.23285	100.0
256.23639	6.6
279.23352	0.9
478.52988	0.3
480.30939	27.6
481.31329	2.7
504.30902	0.4
554.27081	1.2
554.34930	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48970	0.3
59.01380	100.0
59.24541	0.3
60.01717	0.9
70.28104	0.9
98.20077	0.3
100.88602	0.3
116.54844	0.3
249.18607	3.3
348.34119	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.0
65.12337	0.7
70.66301	0.8
71.01361	1.0
71.05048	2.3
89.02460	0.8
97.02969	1.5
97.06626	0.9
99.00877	9.2
118.39352	0.8
125.09705	4.2
161.09697	0.9
163.11255	4.0
181.12355	11.9
199.13399	27.0
207.10265	15.0
225.11330	45.2
226.11684	1.7
235.20587	1.7
241.66972	0.9
243.12392	14.1
253.21765	7.4
299.14917	3.0
317.16058	100.0
318.16455	6.6
553.37494	13.2
554.37762	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	554.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.3
61.98830	100.0
62.98510	0.2
62.99240	0.1
67.56262	0.1
69.93355	0.5
69.93764	0.3
89.89518	0.2
90.73756	0.2
96.96035	0.2
157.80122	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79762	0.1
52.12646	0.2
59.01367	0.7
60.09888	0.2
61.98827	0.4
66.69059	0.2
78.95910	6.3
80.96523	0.6
83.09831	0.2
98.20641	0.5
114.28647	0.2
129.11366	0.2
133.74164	0.2
152.99577	0.7
168.04308	1.4
224.06879	1.0
242.08032	2.6
261.22290	0.3
279.23285	100.0
280.23627	6.3
342.01193	0.2
419.78683	0.2
504.30972	29.9
505.31265	2.8
554.27582	0.8
555.26611	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38482	0.4
59.01357	1.7
61.98812	0.8
63.96205	0.9
71.01376	7.3
71.54597	0.5
73.02959	1.3
78.50345	0.5
78.95892	1.7
78.98581	4.9
79.95732	9.6
80.96515	58.8
81.03461	0.5
85.02947	2.6
85.03385	0.5
87.00870	2.4
94.98083	14.2
95.01388	0.6
96.96003	1.7
97.02953	1.3
99.00889	0.6
101.02452	2.6
106.98093	2.8
122.97572	4.3
125.02450	3.2
127.03984	1.1
134.97588	3.3
136.99142	0.9
146.97629	0.6
148.99127	5.0
152.98599	5.7
164.98627	10.2
167.00146	0.5
182.99629	2.1
206.99666	3.0
224.06853	0.5
225.00731	17.5
243.01717	1.6
253.21744	2.3
255.23381	0.6
279.23203	6.2
291.00439	0.6
299.04361	2.4
461.59979	0.5
504.30811	3.6
553.26837	100.0
554.27222	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	553.302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.13814	3.1
61.98829	21.9
64.08982	2.7
66.54382	3.1
69.17595	15.7
69.18019	14.6
71.01391	11.0
78.95905	12.0
85.02969	5.0
87.00871	3.2
88.90720	3.2
95.10671	3.2
96.73473	2.8
96.96011	37.1
98.19812	5.5
99.00868	3.6
101.02413	7.1
113.09303	3.4
127.52261	3.2
152.99591	13.5
161.04620	7.1
265.31326	3.2
308.02808	3.1
467.29636	3.3
553.32709	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	553.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64843	2.1
56.71546	1.7
58.02965	5.9
59.01374	5.0
61.98833	17.8
70.03020	2.9
70.56496	5.8
71.01383	2.6
73.02905	1.9
74.02475	18.6
82.02967	3.2
87.05631	6.7
96.04558	10.5
96.96011	100.0
97.04072	10.5
98.02454	3.3
98.20131	3.2
98.95571	2.6
99.05622	13.7
100.00406	2.1
101.02470	3.0
108.04557	11.6
110.02515	2.6
112.04039	14.2
112.07671	12.5
113.03573	6.9
117.82507	2.1
122.06120	4.6
124.04030	6.8
125.03519	2.7
125.04824	4.4
126.05695	4.3
127.05129	15.3
134.06172	3.1
137.07172	3.8
138.05656	2.3
140.07146	12.6
142.03291	2.0
143.04616	4.0
152.03531	2.6
155.08279	23.7
165.06712	17.8
166.05107	2.1
183.07739	42.8
186.02411	2.2
215.06726	2.1
225.05249	2.8
227.06725	83.0
228.07077	3.5
261.05496	92.2
262.05719	3.5
269.47217	2.2
387.11810	2.9
482.49954	2.5
489.18488	11.1
521.21191	8.5
553.25415	24.1
554.25891	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	553.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
61.41673	0.2
63.69420	0.2
71.22536	0.3
79.95737	3.0
95.95154	0.2
96.96011	100.0
97.95944	0.2
98.95580	1.2
107.32696	0.2
109.51393	0.2
142.54309	0.2
145.56540	0.2
191.95538	0.2
280.03665	0.2
553.24750	55.6
554.25098	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	553.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	7.6
59.01361	2.0
61.98829	69.1
70.02966	1.2
71.01364	1.4
72.04550	0.8
74.02470	19.8
77.67711	0.8
80.05073	0.8
82.02970	4.4
83.01395	4.3
83.05012	1.0
85.04073	1.8
86.06111	1.9
87.05630	8.4
90.00208	1.1
90.46004	0.8
96.04542	12.6
96.96010	10.9
97.04076	8.7
98.02480	5.4
98.06095	0.8
99.05644	13.8
100.00393	1.9
101.02454	2.5
108.04564	8.3
109.04063	2.5
110.02476	3.4
110.06068	1.2
112.04045	13.4
112.07692	10.5
113.03590	7.5
114.05588	2.9
117.89810	0.8
122.06114	3.9
124.04027	9.1
125.03580	2.5
125.04842	5.2
126.04496	0.8
126.05617	2.4
127.05136	10.3
131.04645	1.6
132.28288	1.0
137.07198	4.8
138.05627	1.5
139.08757	1.5
140.07175	16.1
142.03305	2.1
143.04633	4.2
150.04321	1.2
152.03537	5.4
153.06660	1.0
155.08270	27.3
160.00772	1.9
165.05356	1.7
165.06686	22.1
165.08066	1.2
166.05083	2.5
166.07072	0.9
169.06142	1.4
177.03368	2.5
181.06155	1.7
183.07742	37.1
184.08060	1.1
197.05634	2.4
202.43539	0.8
209.05641	1.6
215.04932	0.8
215.06627	4.0
225.05191	2.7
227.06725	94.5
228.07045	2.9
261.05487	100.0
262.05713	3.5
262.84583	1.0
276.76480	0.8
281.64844	0.8
440.09573	0.9
553.26050	6.7
553.34747	1.4
554.25604	1.5
554.34167	0.8
577.88947	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65808	0.2
59.01387	0.2
59.84723	0.2
63.78201	0.2
64.77526	0.2
70.03767	0.2
71.22520	0.4
72.51022	0.2
79.95736	2.7
96.96007	100.0
97.68755	0.2
104.99315	0.2
553.24738	25.4
554.24963	2.4
572.01685	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71813	0.7
59.01366	1.5
61.98816	2.2
69.20732	8.1
71.01375	1.1
84.91063	0.7
85.02943	1.0
89.02460	0.7
96.96018	0.9
98.20657	1.9
100.06761	0.7
109.02975	1.5
121.02965	2.2
123.04470	0.9
131.64189	0.7
135.04532	1.3
145.02950	2.3
146.03722	0.9
149.02435	1.3
163.04005	1.1
164.04668	1.1
182.31107	0.8
185.02411	1.0
191.05609	2.0
207.06601	1.8
211.07521	1.6
212.04747	2.3
221.06006	1.0
224.04887	1.6
225.05507	1.8
227.07156	1.9
228.07339	0.8
237.05536	3.1
238.06311	1.4
239.03461	1.8
239.07199	7.2
240.04285	47.0
241.04701	4.4
249.05470	2.3
250.06372	1.9
251.07082	3.3
252.04391	1.0
253.05110	2.8
254.05681	1.6
255.06596	11.7
256.07248	0.9
265.05057	7.7
266.05774	4.4
267.06604	18.9
268.07034	1.5
269.08167	4.5
270.05264	0.8
270.06207	1.0
270.08936	5.8
277.05087	2.5
278.05804	2.7
279.06613	4.9
280.07407	2.7
281.07932	1.1
282.08981	2.8
283.06104	22.7
284.06485	0.9
285.07806	2.2
286.08289	1.0
293.08176	2.8
294.08884	3.8
295.06107	66.2
296.06570	3.6
297.07755	2.2
298.08450	61.5
299.08804	4.2
308.08875	1.1
309.07532	4.4
310.08469	54.1
311.08862	4.0
313.10809	77.3
314.11163	5.7
325.07260	4.0
325.10751	54.1
326.11227	5.2
328.09665	1.4
340.09418	1.7
343.11838	10.0
349.29953	0.7
355.12311	0.9
361.12921	100.0
362.13321	6.4
373.12900	97.5
374.13269	8.0
391.13852	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40547	0.2
59.01379	0.4
61.98832	100.0
62.24297	0.2
70.94709	0.4
89.04060	0.2
96.96014	2.9
99.76342	0.2
106.89081	0.2
109.12122	0.2
123.54501	0.2
134.06107	0.2
144.48190	0.2
244.10219	0.2
305.32617	0.2
464.54962	0.2
517.60266	0.2
552.32660	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80898	5.0
59.01381	33.6
61.98833	100.0
70.17294	8.4
70.17691	15.7
71.01395	19.2
73.02920	6.5
78.95915	10.0
88.98801	13.4
89.02439	11.2
93.03474	8.6
96.41478	5.2
96.95987	9.9
99.00845	6.0
101.02445	8.9
113.02450	8.8
121.02956	12.8
137.02504	5.5
149.02419	6.2
163.04021	6.9
172.47388	5.5
173.04567	10.1
177.03278	7.6
191.05591	14.3
197.29167	5.7
205.34543	5.5
255.06630	11.9
270.08734	8.2
271.09668	8.2
279.06531	12.9
295.06161	10.9
301.08313	13.3
306.08554	7.4
307.06201	20.8
310.08499	9.0
325.10764	39.1
337.10843	65.7
347.18726	7.0
535.18524	10.2
553.27435	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	552.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53839	0.4
59.01377	16.0
61.98847	0.8
63.91266	0.5
72.06098	0.5
76.65585	0.5
78.95902	20.2
80.96499	0.8
115.86189	0.7
152.99557	3.0
164.64192	0.5
168.04306	2.8
191.89375	0.4
224.06903	6.7
225.20769	0.5
233.23154	0.5
242.07962	4.5
252.78841	0.5
253.21710	100.0
254.22040	7.9
259.20667	0.5
260.06494	0.5
277.21707	56.9
278.22083	4.4
478.29355	28.1
479.29654	3.3
502.29391	45.6
503.29495	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	552.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74476	0.4
59.01381	2.6
61.98829	100.0
69.28925	1.2
69.29348	2.1
71.18916	0.4
78.95900	5.1
80.64850	0.4
80.96525	2.3
93.32042	0.4
94.98103	0.6
151.34619	0.4
152.99577	0.8
168.04297	1.9
172.63441	0.4
224.07024	0.6
242.07997	6.6
243.08368	0.5
253.21770	4.0
254.22179	1.3
478.29407	5.1
553.27051	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	552.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	9.3
61.98839	1.0
70.64008	1.3
78.95901	30.1
80.96515	2.6
84.96648	0.6
92.26132	0.9
94.98057	0.9
141.40613	0.7
152.99612	4.2
168.04285	3.6
224.06927	12.1
239.31433	0.7
242.07932	4.1
250.55414	0.9
253.21721	43.0
254.22049	1.7
257.23157	0.7
259.20654	1.0
275.20001	0.8
277.21710	100.0
278.22037	6.0
324.90631	0.8
335.22189	0.9
346.26077	0.7
478.29364	14.0
502.29395	77.8
503.29752	6.9
552.25665	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	552.266
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
71.00385	0.3
98.19798	0.2
111.81684	0.2
135.62038	0.3
150.61308	0.3
152.99542	0.3
172.42413	0.2
239.98569	0.2
260.55911	0.3
325.34949	0.3
358.93652	0.2
411.39075	0.2
431.26682	0.3
451.63965	0.3
507.39969	0.3
533.80475	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09083	0.2
59.01391	1.3
66.43629	0.3
69.34258	1.7
71.01381	0.4
78.95905	7.5
84.01997	0.2
84.66142	0.2
96.97005	0.3
109.06548	0.3
123.83461	0.2
152.99564	0.9
168.04315	1.7
194.33731	0.3
220.18123	0.3
224.06808	1.3
233.22720	0.4
242.08044	3.0
254.88361	0.3
259.20673	0.7
275.20352	0.4
277.21707	100.0
278.22031	6.1
319.20862	0.2
392.39090	0.3
502.29410	33.3
503.29688	3.5
523.00616	0.4
552.25751	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38430	11.9
61.98808	12.8
65.39088	10.0
69.31822	100.0
78.95895	13.2
80.96456	13.5
88.15076	14.1
93.86700	11.3
109.31081	10.7
136.97501	12.0
152.99591	15.3
178.15794	13.5
188.52948	13.5
225.14662	14.0
277.08325	11.3
320.31979	12.0
410.21729	12.9
440.37372	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	551.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47837	0.6
59.01379	1.5
69.03457	5.2
71.01385	0.8
71.05035	1.8
78.95902	0.9
89.40031	0.6
91.04024	1.1
97.06595	0.6
98.20656	1.9
123.08177	1.0
125.09716	2.7
137.09761	0.9
149.09671	0.6
151.11293	3.6
153.12872	2.2
156.45868	0.7
161.09720	5.4
170.36298	0.7
179.10770	16.9
180.11227	0.6
185.11810	0.9
192.56439	0.5
197.11829	79.1
198.12210	3.9
223.07669	0.6
223.09735	3.7
229.61215	0.9
232.77037	0.6
235.20702	3.0
236.21251	0.6
241.10812	15.1
253.21735	10.3
255.23260	0.7
297.13486	3.3
315.14478	100.0
316.14767	5.9
321.20377	0.6
365.79654	0.6
388.98343	0.6
484.22079	0.7
551.18591	0.7
551.35809	8.7
552.35803	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	551.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94256	0.5
59.01362	1.4
61.98835	4.7
63.96235	1.4
69.03464	0.9
69.80154	0.5
71.01386	7.8
73.02931	1.4
78.95899	3.1
78.98591	5.5
79.95734	9.5
80.96518	64.5
81.03455	1.0
85.02952	2.1
87.00871	1.8
94.98090	14.6
96.96023	1.2
97.02940	1.5
98.20387	3.4
101.02443	2.4
106.98072	3.3
113.02451	0.7
122.97591	5.9
125.02436	3.7
127.04032	0.7
134.97574	4.3
136.96721	0.5
136.99118	1.6
148.99117	6.3
152.98602	6.8
152.99693	0.8
164.98624	9.7
168.04305	0.6
174.25972	0.6
180.80324	0.5
182.99680	2.4
206.99638	2.4
224.06862	0.7
225.00742	15.0
243.01747	1.1
251.20067	2.4
273.36731	0.6
277.21725	7.4
299.04413	2.3
337.85721	0.5
362.99658	0.6
501.03027	0.6
502.29263	6.8
551.25287	100.0
552.25586	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	551.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80323	0.1
59.01369	0.9
61.98830	100.0
63.63626	0.1
71.01395	0.5
72.99369	0.2
78.95919	0.6
80.91677	0.3
82.95432	0.3
85.02969	0.3
96.96012	1.2
101.02452	0.4
121.02969	0.3
127.80933	0.2
132.86209	0.1
152.99628	0.4
183.07733	0.2
227.06738	0.3
249.18648	1.7
250.19000	0.6
251.19298	0.3
327.05777	0.2
339.84439	0.2
373.84891	0.2
474.26337	0.5
476.25238	0.2
477.27234	0.2
545.78040	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	0.1
69.49766	0.1
79.95738	2.4
87.61221	0.1
96.96011	100.0
97.95950	0.3
98.20287	0.7
109.02863	0.1
301.06937	0.1
393.33408	0.1
436.31927	0.1
551.23108	2.0
552.23541	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
69.86934	0.5
70.17193	0.1
71.11362	0.1
73.85932	0.1
79.57112	0.1
79.95737	2.2
82.34555	0.1
91.00792	0.1
96.96010	100.0
97.95960	0.2
98.20044	0.1
120.85860	0.1
140.32156	0.1
147.18724	0.1
195.67369	0.1
275.06915	0.1
402.11017	0.1
419.19998	0.1
551.23224	2.1
552.23840	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.4
61.98830	100.0
62.08729	0.3
69.98000	1.1
69.98405	0.6
70.75714	0.3
71.00359	0.3
78.95920	0.4
162.77567	0.3
166.60263	0.3
175.28903	0.3
192.29265	0.3
252.20604	0.6
254.20755	0.3
337.45761	0.3
381.99994	0.3
517.82104	0.3
550.32495	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98370	0.6
59.01381	17.3
61.98831	44.0
62.98512	0.7
63.99245	4.6
69.26709	4.8
69.27117	1.0
78.95910	7.3
79.95747	1.3
80.96084	0.7
80.96524	7.1
82.96085	0.8
86.01486	0.6
94.98090	2.0
96.96013	7.4
96.96954	0.8
104.07034	0.6
110.98588	0.7
122.41076	0.7
152.99614	4.0
164.98607	1.1
168.04282	1.9
198.19397	0.7
224.06895	1.4
225.00652	0.7
233.19043	1.5
242.07988	2.0
251.20151	100.0
252.20528	4.6
277.18130	1.1
278.18417	2.7
279.19693	0.8
280.20197	1.0
295.19128	2.3
296.19507	3.8
299.20230	0.6
303.18262	0.7
315.83066	0.7
364.25586	0.7
411.93088	0.6
476.27823	25.3
477.27988	2.0
550.23914	10.0
551.24329	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.5
71.01376	2.6
71.52911	1.6
78.95901	4.6
89.02448	2.1
92.73328	0.9
96.96004	4.0
101.02425	2.1
103.47540	1.0
104.26331	0.9
106.48956	0.9
107.77998	1.0
113.02447	1.7
121.02940	1.1
130.92300	1.1
152.99551	2.1
191.05608	1.4
235.08260	1.4
253.09239	12.1
253.21719	100.0
254.22038	5.9
255.23218	1.4
452.27551	1.6
477.30170	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24185	0.3
59.01388	0.3
61.98831	100.0
69.96371	0.4
69.96772	0.9
96.95993	0.7
102.69379	0.3
109.47777	0.3
117.64336	0.3
127.56927	0.3
138.77754	0.3
144.04608	0.4
146.67203	0.3
191.05612	0.3
201.26778	0.3
292.23776	0.3
352.41483	0.3
378.65964	0.3
391.42520	0.4
573.90851	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66482	0.4
61.98829	100.0
69.30243	1.3
69.30662	1.7
72.90756	0.3
82.48215	0.3
178.70602	0.4
252.20601	0.7
374.30994	0.4
422.68631	0.4
548.03711	0.4
551.25391	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06614	0.2
56.03777	0.1
58.02976	0.2
59.01380	0.3
60.23722	0.1
61.98817	0.3
71.01364	0.3
71.34624	0.3
74.02482	0.3
77.50098	0.1
78.95905	8.7
79.95737	2.9
96.96014	100.0
96.96922	11.9
97.95948	0.2
101.02458	0.1
128.03543	0.4
143.04605	0.7
191.05524	0.2
210.08913	0.2
213.05055	0.1
224.78093	0.1
225.15009	0.6
236.56300	0.2
254.07898	0.2
269.13803	0.2
306.07672	0.6
307.07993	0.6
505.22897	0.3
517.15173	0.2
529.66498	0.2
549.22272	0.4
549.30591	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	14.6
69.19854	4.1
71.01388	1.9
73.02956	0.9
78.95901	0.6
80.53788	0.4
85.02943	0.6
87.87363	0.4
89.02452	2.8
95.01447	0.4
97.58580	0.4
101.02467	3.1
113.02455	1.5
119.03455	0.5
152.99554	0.8
161.04529	0.9
198.06097	0.4
205.33653	0.4
235.08221	2.0
253.09306	12.7
253.21721	100.0
254.22081	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	549.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10789	0.2
61.98843	0.4
65.89713	0.2
71.53197	0.3
77.03964	1.5
77.59871	0.2
78.95922	0.3
89.64371	0.2
93.03463	0.5
96.96046	0.3
104.83028	0.2
119.37470	0.3
121.02955	100.0
122.03262	2.6
129.12866	0.2
147.04477	0.3
165.01924	55.4
166.02313	1.4
180.05763	0.5
181.06554	2.7
197.06026	2.1
199.07751	0.3
207.04482	0.9
207.07816	0.3
225.05588	1.3
257.09814	0.5
313.07135	1.3
357.06061	0.8
362.80948	0.3
383.07809	0.6
417.09619	2.0
419.31522	0.3
425.27994	0.3
505.11310	1.8
549.10376	26.0
550.10822	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82433	0.4
59.01373	1.0
61.98823	0.5
63.96235	0.9
69.03455	0.9
71.01382	6.7
71.01723	0.6
73.02947	1.8
76.11316	0.4
78.95906	1.8
78.98595	6.1
79.95732	10.4
80.96518	68.3
81.03458	0.7
85.02958	3.2
87.00878	2.4
91.48241	0.4
94.98085	15.3
94.98682	0.9
95.01343	0.5
96.96001	2.7
97.02945	1.8
99.00873	0.8
101.02463	2.7
102.96518	0.4
103.26014	0.4
106.98090	3.5
122.97579	5.6
125.02441	3.7
127.04031	0.7
134.97589	5.6
136.99135	1.4
148.99152	5.5
152.98605	5.8
152.99635	0.9
164.98631	9.1
179.09140	0.5
182.99602	2.0
206.99713	2.6
225.00743	16.0
226.01111	0.6
243.01718	1.6
249.18550	2.1
253.57768	0.4
257.38458	0.4
277.18021	1.4
295.19128	1.4
299.04373	3.0
334.25006	0.6
514.62360	0.5
545.43781	0.5
549.23712	100.0
550.24152	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	548.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80515	0.5
54.93160	0.5
55.01856	1.4
57.03449	1.1
58.00607	0.5
58.76337	0.4
59.01113	0.7
59.01383	10.6
61.98829	12.5
71.01383	33.7
71.51950	0.5
71.52307	0.7
72.99316	1.2
73.02945	4.2
75.45686	0.5
83.01389	3.2
85.02955	7.6
86.00107	0.9
87.00884	1.3
88.04044	35.7
89.02451	1.2
95.01385	1.3
96.99351	0.7
98.20300	0.5
99.00884	1.6
101.02441	10.9
111.00863	1.5
113.02445	3.9
115.00386	13.4
119.03458	0.5
125.02425	0.5
132.03049	4.0
161.04558	1.5
250.21677	1.1
252.23286	1.0
270.24405	0.8
271.22791	5.5
415.26990	0.7
432.29648	10.7
433.28046	26.1
434.28073	2.4
504.31799	4.3
530.29736	1.0
548.30750	100.0
549.31226	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	548.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88498	0.2
57.75886	0.2
61.98829	100.0
66.35514	0.3
69.24564	1.3
69.24991	1.2
78.95917	0.4
95.41258	0.3
98.20298	1.2
152.12190	0.3
214.28583	0.3
306.47330	0.3
548.29773	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80515	0.5
54.93160	0.5
55.01856	1.4
57.03449	1.1
58.00607	0.5
58.76337	0.4
59.01113	0.7
59.01383	10.6
61.98829	12.5
71.01383	33.7
71.51950	0.5
71.52307	0.7
72.99316	1.2
73.02945	4.2
75.45686	0.5
83.01389	3.2
85.02955	7.6
86.00107	0.9
87.00884	1.3
88.04044	35.7
89.02451	1.2
95.01385	1.3
96.99351	0.7
98.20300	0.5
99.00884	1.6
101.02441	10.9
111.00863	1.5
113.02445	3.9
115.00386	13.4
119.03458	0.5
125.02425	0.5
132.03049	4.0
161.04558	1.5
250.21677	1.1
252.23286	1.0
270.24405	0.8
271.22791	5.5
415.26990	0.7
432.29648	10.7
433.28046	26.1
434.28073	2.4
504.31799	4.3
530.29736	1.0
548.30750	100.0
549.31226	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	548.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	29.4
61.98827	4.4
66.92553	0.9
69.21873	7.6
71.01400	0.9
78.95901	40.2
80.96519	6.4
94.98106	1.1
96.96010	2.1
98.20163	3.5
106.31143	0.7
121.02941	1.0
126.53066	0.7
140.01195	3.4
140.10107	0.8
152.99612	7.0
164.98613	1.7
165.09204	1.2
168.04303	4.7
177.16580	0.7
178.60085	0.8
196.03775	5.2
205.19531	1.5
214.04860	1.3
224.06902	11.4
242.08005	3.1
245.19119	1.1
249.18573	100.0
250.18912	6.5
265.18213	1.6
289.25192	0.9
292.94852	0.8
333.24316	36.8
334.24689	3.1
351.25397	17.4
352.25717	2.0
474.26236	78.2
475.26559	6.8
548.29822	20.1
548.37524	1.5
549.23407	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	548.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96991	0.5
54.03640	0.7
59.01378	1.1
60.03293	0.7
61.98832	100.0
70.90807	0.6
71.01387	1.8
71.53421	0.7
71.53826	0.9
73.02976	0.9
78.95912	3.9
78.98608	0.9
79.95747	2.5
80.96519	12.2
85.02956	0.9
86.68609	0.7
94.98111	2.6
96.96005	4.2
99.31049	0.6
101.02430	1.5
122.97597	1.0
134.97617	0.9
144.77396	0.7
148.99194	0.9
152.98608	0.8
152.99649	5.5
164.98685	1.7
215.29140	0.7
225.00833	2.6
251.20232	0.8
277.18188	2.5
279.19812	0.9
287.84860	0.7
295.19232	2.7
310.20053	0.7
333.24506	1.4
485.31268	4.1
548.30817	0.9
549.23523	20.2
551.56354	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90976	0.7
59.01379	13.0
59.43511	0.6
60.01699	1.2
61.01776	0.8
61.98830	100.0
69.46189	4.9
71.01382	0.7
73.02972	0.8
82.30296	0.7
89.02483	0.7
101.02458	1.0
118.29597	0.7
141.44778	0.6
226.67532	0.7
236.12991	0.7
548.27502	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	548.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58135	0.2
61.98830	100.0
67.27949	0.2
69.30916	1.9
69.31718	0.2
72.61008	0.2
80.96507	0.5
83.62693	0.2
84.64594	0.2
96.96032	0.6
108.80241	0.2
110.36440	0.2
114.50140	0.2
152.99638	0.3
190.74217	0.3
249.18575	0.4
250.18974	0.7
251.19403	0.2
268.80530	0.2
277.18097	0.6
279.19843	0.3
295.19162	0.6
316.81284	0.2
415.68155	0.2
458.92978	0.2
549.23938	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	548.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.83514	0.3
69.51810	1.3
69.52215	0.7
73.13095	0.4
158.91119	0.4
159.34987	0.3
223.42534	0.3
250.18945	0.4
264.93213	0.3
275.22861	0.3
372.05307	0.3
461.65009	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	22.1
61.98825	1.2
69.86544	1.8
71.66509	0.3
78.00014	0.3
78.91873	1.3
78.95909	7.8
80.91682	2.1
92.30713	0.3
96.96000	0.6
121.02966	3.8
152.99567	1.9
154.48215	0.3
165.01981	2.4
168.04326	1.9
205.19606	0.8
224.06921	0.9
231.17473	1.2
242.07953	3.8
249.18581	100.0
250.18927	6.2
289.25439	0.5
333.24335	10.0
334.24594	0.9
351.25464	3.1
431.46692	0.4
474.26239	31.3
475.26538	2.9
548.30096	1.5
549.10437	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	548.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81270	0.6
58.02978	6.1
59.01376	3.2
61.98829	11.3
66.03468	1.0
66.76444	0.6
67.01907	0.7
69.89467	0.6
71.01398	1.4
72.00914	0.9
72.99348	0.7
74.02471	14.3
82.02988	2.1
85.02972	1.0
85.19593	0.7
86.02478	5.6
86.99059	1.0
87.05631	2.7
89.02438	1.0
90.00182	1.2
93.03438	1.7
96.96011	2.9
97.04069	1.2
99.05640	10.6
99.92588	0.9
101.02450	0.8
101.07198	1.3
102.05650	1.2
107.06137	0.7
109.04083	2.4
111.05642	1.2
112.04059	1.4
113.02454	0.8
113.03595	1.3
114.85384	0.6
115.92021	0.9
116.01727	0.7
116.92841	2.9
119.03528	0.7
119.05004	0.6
123.05634	0.8
125.03603	1.0
127.05132	1.4
128.03540	33.7
131.04605	1.2
135.05644	2.4
137.07187	1.0
139.05174	0.8
141.06715	2.7
143.04620	43.7
145.06181	1.5
146.04637	3.9
153.06705	3.5
160.00726	10.6
166.09843	2.0
167.04613	2.9
167.08252	1.4
173.04498	1.5
177.03349	3.9
179.04605	7.8
185.05687	1.5
191.05624	1.4
197.05696	1.1
197.11813	2.2
210.08810	9.6
231.04430	0.8
241.10822	2.2
242.07782	0.9
254.07814	10.3
272.08850	19.3
273.09308	0.8
288.06549	6.5
306.07651	100.0
307.07925	4.6
361.50360	0.7
458.55435	0.6
463.08615	0.9
517.14575	0.9
548.17743	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	548.192
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	6.4
59.01369	2.8
61.98829	10.2
69.72354	4.2
71.01378	2.8
74.02474	10.9
77.02222	0.6
82.02956	1.2
85.04076	0.8
86.02480	4.9
86.99120	0.9
87.05625	3.2
88.04057	0.9
89.02444	1.4
90.00198	0.9
93.03468	1.4
96.96009	2.4
97.04075	1.6
99.05647	12.4
101.02420	1.6
101.07200	1.6
102.05595	1.3
108.22263	0.7
109.04057	1.8
111.05650	0.9
112.04045	1.4
113.02406	0.8
115.00359	0.7
116.01732	0.8
116.92849	2.4
119.05026	1.2
120.01225	0.8
121.85124	0.6
122.90584	0.7
123.05665	0.9
124.03971	0.9
127.05145	1.9
127.49881	0.7
128.02586	1.5
128.03545	32.1
129.03954	0.7
131.04616	0.7
135.05663	3.1
137.07240	0.7
140.57298	0.7
141.06718	3.3
143.04623	45.4
145.06204	1.6
146.04602	4.1
153.06686	2.7
160.00731	11.1
166.09859	1.7
167.04597	3.3
167.08281	1.6
170.03275	0.8
171.04187	0.9
173.04596	1.2
177.03404	3.7
179.04620	8.9
181.06161	1.5
185.05696	1.3
191.05585	2.1
192.07780	1.0
197.05676	1.5
197.11835	2.1
210.08846	8.6
241.10779	1.8
254.07790	9.7
272.08899	21.7
288.06580	6.9
306.07648	100.0
307.07983	3.5
367.61310	0.7
474.74875	0.7
517.14343	1.6
548.18457	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.7
59.01378	100.0
60.01683	0.6
61.98829	12.6
71.01380	20.4
71.54230	1.1
72.68406	0.6
72.99318	2.1
73.02948	1.1
74.02492	0.6
81.03485	0.7
83.01400	1.4
85.02955	3.4
87.00896	2.3
88.98810	1.8
89.02443	36.8
93.03477	1.1
95.01374	1.4
96.96040	2.1
99.00894	0.8
101.02441	11.3
112.45642	0.6
113.02452	10.0
115.04078	0.6
119.03527	11.2
119.05022	8.0
120.01398	0.6
131.03531	2.0
143.03531	2.9
149.04585	1.8
158.80849	0.7
161.04582	4.9
163.03996	5.8
165.10783	0.8
171.10242	0.7
173.04626	1.0
177.09262	1.0
179.05609	15.8
191.05644	1.8
432.87262	0.6
444.46634	0.7
547.24878	2.9
548.30530	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	546.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
65.32528	0.3
69.23260	2.1
69.23660	0.5
95.95230	0.5
96.73736	0.3
108.22065	0.3
114.32918	0.3
127.69120	0.3
143.27728	0.2
210.44359	0.3
244.44612	0.3
489.89737	0.3
547.26172	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.7
61.98832	100.0
97.03310	0.4
98.20654	1.4
183.80005	0.4
470.71152	0.5
504.00540	0.4
556.27887	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11224	1.0
59.01371	3.6
61.98834	9.4
68.61030	1.1
69.80925	5.4
71.01384	1.3
73.04072	13.9
73.04726	1.1
74.02469	2.7
81.83952	1.0
82.06622	1.6
84.04546	4.0
85.02940	1.5
85.04086	2.3
91.03136	1.1
93.03455	12.4
96.96020	5.7
96.96950	2.5
98.20587	1.8
101.02448	1.1
102.04935	1.7
102.05613	29.7
103.05151	5.7
112.05157	4.2
113.03584	3.8
114.05575	2.0
115.08789	1.9
120.01254	25.2
125.07227	2.0
127.05134	1.3
127.08760	2.2
128.03542	100.0
129.03882	2.1
129.10362	3.1
130.06229	28.8
130.08746	20.6
132.81407	1.2
134.80421	1.1
137.02441	14.7
137.07121	1.4
139.08772	1.5
140.07169	3.5
142.06226	2.4
146.03445	1.9
146.04594	29.9
154.09824	2.1
155.08215	1.8
160.07265	7.1
171.15056	5.0
181.13483	1.4
184.10895	1.8
185.16591	2.7
186.12450	1.7
191.05673	3.6
194.11926	1.6
204.10013	1.3
211.12010	3.3
211.14496	7.0
215.14015	3.2
228.17160	2.2
229.13263	1.1
229.15530	2.8
241.11876	2.0
242.18767	2.9
260.12280	1.4
270.21826	2.0
299.20953	2.7
314.20776	4.0
343.19797	5.4
355.19879	3.3
371.23260	1.5
373.20938	33.2
374.21088	1.8
417.23587	10.1
417.54761	1.2
419.69836	1.2
428.25018	2.7
466.08307	1.4
472.24039	1.2
502.25229	73.7
503.25766	5.8
528.26434	3.5
546.27838	97.0
547.28168	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	545.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09446	1.6
55.01847	1.6
57.03429	2.1
59.01379	100.0
61.98829	18.5
69.37252	12.4
71.01382	58.7
71.01780	3.0
72.99310	2.9
73.02953	13.9
82.55917	1.5
83.01395	4.7
83.57764	1.6
85.02960	19.8
87.00879	3.2
89.02441	26.4
95.01408	5.4
98.19809	2.9
99.00875	6.3
101.02438	37.7
106.15240	1.7
113.02449	22.8
119.03494	11.5
125.02458	3.0
143.03487	4.5
159.03000	7.4
161.04549	36.5
169.01457	2.2
179.05595	8.8
190.28529	1.7
323.25906	2.5
410.06494	1.7
454.02982	1.8
485.31177	78.0
485.38123	4.2
486.31610	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	546.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.4
61.98832	7.7
69.15957	0.7
70.02964	2.3
70.17780	2.4
71.01385	4.3
71.02508	2.4
83.02547	0.7
85.02941	1.2
87.00882	1.4
87.05640	2.2
89.02439	1.6
91.74260	0.7
93.03441	0.9
94.86449	0.7
96.00916	63.2
98.02486	3.5
101.02449	1.2
106.47694	0.7
109.01704	1.0
111.02003	1.4
113.03573	100.0
114.01960	0.9
114.05606	57.0
115.05960	1.6
117.19174	0.8
121.04072	0.8
130.08743	2.3
131.04654	1.9
139.08813	0.9
140.07127	0.8
146.06110	6.5
152.07217	2.2
155.08243	0.8
161.04567	0.7
163.08772	2.0
165.12828	1.0
167.08290	1.5
169.01392	0.8
169.09842	1.5
173.04564	1.7
173.07211	0.7
183.13843	1.2
186.05554	0.9
191.05568	2.4
197.07185	2.2
199.08777	2.3
200.07077	1.7
203.08403	0.8
209.12952	2.5
227.12862	2.2
242.09422	2.4
243.07701	6.1
246.68269	0.8
255.15033	2.7
260.10443	7.8
261.08771	0.8
278.11414	1.1
284.16290	2.0
301.08316	1.7
370.21207	1.1
414.16568	2.4
431.23651	8.7
494.14087	0.8
511.21942	24.0
512.22296	2.9
528.24701	22.5
528.32605	1.4
529.23773	6.8
546.25702	70.2
547.25916	10.1
574.35236	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	4.2
63.03647	1.4
68.80589	1.3
71.01375	5.6
78.92005	1.1
78.95904	100.0
99.92580	31.1
102.41093	1.3
110.98532	19.8
113.43709	1.5
115.92082	22.8
116.92862	20.6
137.00049	1.8
150.97997	2.5
151.01666	2.9
152.99611	4.0
164.99583	5.5
167.01157	12.9
170.55417	1.3
178.88423	22.0
179.89229	32.7
180.90047	18.3
193.90775	45.2
194.80519	1.2
194.87918	4.0
194.91570	25.8
195.92445	1.5
196.89485	94.2
197.87598	1.2
197.89464	3.4
200.29501	1.3
200.99246	1.2
210.91031	8.3
229.22900	1.5
231.21085	1.7
235.91766	2.4
248.92644	4.9
249.93369	5.5
250.94138	11.3
251.94577	2.1
252.92099	5.3
266.93677	6.4
267.94461	2.4
275.20352	1.4
277.21732	6.3
340.18900	1.6
356.98639	1.7
433.16354	1.7
497.13773	2.7
527.15143	22.2
528.15204	3.6
541.13153	8.2
545.16156	71.3
546.16309	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01824	0.3
52.36641	0.3
59.01378	100.0
60.01717	0.5
61.98832	3.3
69.20306	0.9
69.20728	2.1
78.00754	0.3
78.64691	0.3
79.63437	0.3
97.06585	2.1
106.82285	0.3
111.04508	0.9
141.05563	2.4
142.85042	0.3
173.04655	0.4
191.05582	0.4
225.11444	0.6
243.12653	0.3
319.08844	0.3
338.98026	0.3
485.25375	3.2
486.25818	0.4
527.28656	0.4
545.34924	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79784	2.9
59.01402	3.9
61.98829	100.0
66.66011	3.1
71.01364	5.4
71.30520	6.2
83.52538	3.4
94.55569	3.4
101.02432	5.0
113.02456	4.4
125.55885	3.2
204.35744	3.0
432.94080	3.6
463.26746	4.9
466.93311	4.4
481.27982	26.8
482.28107	5.2
564.77155	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	544.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10867	0.8
55.77110	0.6
59.01374	1.0
61.98829	100.0
69.30096	2.0
69.30511	3.9
75.02854	0.7
98.20609	1.1
163.64894	0.6
268.92612	0.8
481.28073	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	544.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71651	0.6
59.01380	4.1
61.98829	100.0
69.99742	3.5
87.77868	0.8
90.77285	0.7
135.81235	1.0
233.22871	0.8
250.98955	0.8
370.22952	0.9
545.29608	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	544.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43279	2.0
59.01368	4.1
61.30518	1.9
61.98831	100.0
69.90181	1.9
71.53533	2.5
85.67884	1.8
92.95552	1.8
119.09779	2.0
284.23340	2.2
342.40408	2.2
514.59839	2.0
544.38788	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	544.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
57.03442	1.4
58.00580	1.5
59.01382	39.0
60.01706	0.9
61.98832	18.1
66.53456	0.9
71.01382	41.6
72.99290	1.3
73.02945	2.7
83.01371	1.4
84.74211	0.9
85.02954	6.5
87.00873	1.8
88.04044	39.5
88.04589	2.1
89.02449	18.1
95.01371	1.6
101.02436	13.0
102.49162	0.9
113.02472	7.5
114.05575	1.3
115.00378	16.4
119.03529	6.3
126.36038	0.9
132.03018	5.2
134.65718	1.0
161.04611	2.0
179.05600	2.8
191.05634	1.1
249.18549	2.2
267.19647	1.5
374.19427	1.0
428.26617	6.8
429.24918	31.6
430.25580	1.5
500.28592	4.1
526.26282	1.5
544.27582	100.0
545.27795	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	544.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48063	1.1
53.99778	1.1
58.02971	13.7
59.01385	6.8
61.98816	3.7
66.03474	2.7
69.77822	2.1
69.78218	4.5
71.01382	3.7
71.19353	1.2
72.11682	1.0
74.02094	2.0
74.02477	31.8
81.04584	2.6
81.55719	1.4
82.02971	3.8
82.04189	1.2
84.04572	1.2
85.02946	2.5
86.02477	12.1
86.06160	1.7
87.05614	4.5
89.02464	1.8
93.03432	3.0
96.04539	1.9
97.04049	4.4
98.20628	1.7
99.05035	2.0
99.05643	25.0
101.02424	1.6
101.07227	6.0
101.07764	1.3
102.05580	5.2
108.58605	1.2
109.04086	5.6
109.07731	2.1
111.05633	2.8
112.04027	2.6
113.02439	1.9
116.07152	2.3
123.05617	2.5
124.03979	1.4
125.03539	5.5
127.05122	6.1
128.03543	76.1
129.03857	2.6
133.10245	1.3
135.05634	13.5
141.06648	3.4
143.04626	100.0
145.06169	4.5
146.04594	9.4
149.07115	1.3
153.06682	7.9
166.09813	4.3
167.04591	4.0
167.08298	7.4
171.04039	1.9
171.10225	2.2
173.04500	2.8
175.14886	2.8
179.04622	27.5
180.04903	1.8
180.10245	2.7
181.06200	1.6
184.10883	1.4
185.05664	2.9
191.05617	6.6
192.07730	3.0
197.05573	4.7
210.08862	26.8
219.13799	3.2
228.09737	1.5
237.05125	1.2
237.14989	10.2
242.86691	1.1
254.07817	65.5
255.08113	2.1
271.13715	11.4
272.08881	75.2
272.74905	1.4
273.09134	2.4
279.78741	1.3
293.12460	1.4
415.19125	12.5
490.05447	1.4
526.22125	18.1
527.22717	1.5
544.23218	94.0
545.23462	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	543.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	2.9
57.03451	3.9
58.00583	2.0
59.01379	100.0
61.98829	12.2
69.03432	3.0
71.01387	28.1
71.05021	4.3
72.98407	1.6
73.02957	9.0
81.72041	1.4
82.35961	1.5
85.02953	10.4
86.02489	1.8
89.02448	15.3
95.01363	2.3
97.02936	5.9
97.06580	2.3
98.20649	5.9
99.00882	18.8
101.02438	19.9
102.17444	1.6
113.02460	16.7
119.03484	9.3
125.09728	5.8
128.03526	6.0
131.26994	1.8
134.03165	1.6
143.03499	2.8
143.56616	1.9
159.03021	2.1
161.04539	11.4
163.11250	7.3
171.07767	2.3
179.05646	3.6
179.10750	2.9
181.12306	11.6
197.11922	9.3
199.13374	7.7
201.11314	3.7
207.10297	25.4
209.11775	5.4
225.11292	42.3
226.11653	3.5
243.12340	37.8
317.16046	19.3
318.16193	1.9
397.22272	3.1
483.29568	29.3
484.29956	2.3
501.30792	2.4
525.26996	9.6
543.27997	56.5
544.28424	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	543.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81570	0.5
55.01881	1.1
57.03439	1.3
59.01374	6.1
61.98822	1.0
68.88982	0.5
69.40376	3.6
71.01373	1.7
71.05025	5.1
73.02932	0.6
80.78508	0.5
83.05001	1.1
85.02934	0.6
86.57624	0.5
89.02453	1.2
95.05042	1.0
97.02950	7.3
97.06577	4.8
98.20690	0.9
99.00879	35.4
101.02459	1.0
109.06580	2.2
110.03741	1.8
113.02468	0.7
123.08166	2.4
125.08809	0.8
125.09712	13.4
126.10035	0.6
127.11285	0.9
135.08147	1.5
136.05251	0.7
142.02718	1.8
145.10283	0.7
153.12788	1.2
155.14391	1.3
161.04539	0.6
161.09680	0.7
163.11275	14.4
164.11572	0.7
179.10803	0.9
181.12335	30.3
182.12726	1.3
197.11781	1.9
199.13387	18.3
200.13789	0.8
207.10248	52.8
208.10527	2.4
209.11684	0.6
225.11307	90.0
226.11623	3.5
238.84346	0.5
243.12355	78.7
244.12636	3.0
299.15152	3.2
317.16037	45.1
318.16296	2.1
525.26831	2.9
543.28076	100.0
544.28510	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	543.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16749	0.8
59.01380	16.6
60.99308	15.2
61.98833	5.4
66.24603	0.7
71.01382	6.8
71.54093	1.3
73.02946	1.0
80.66928	0.7
85.02916	1.5
87.00879	1.3
88.04059	3.3
88.98808	100.0
89.02444	12.6
99.00890	1.8
101.02440	3.1
113.02450	1.7
115.00359	1.4
118.81754	0.9
119.03510	1.7
137.42419	0.8
161.04488	1.4
184.74936	0.9
199.13274	0.8
207.10216	2.1
222.61118	0.8
225.11311	3.9
243.12398	4.5
271.89008	0.9
317.16037	1.4
428.23715	2.5
483.29456	2.7
543.26630	14.7
544.26990	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	543.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49162	1.1
54.15154	1.0
59.01380	32.7
61.98833	6.4
69.26220	10.4
71.01383	10.4
73.02937	2.7
74.02477	2.7
82.03017	2.3
84.04543	2.7
85.02947	4.1
86.02480	22.7
87.00878	4.7
89.02444	5.0
90.81380	1.1
99.00902	2.8
101.02469	6.3
109.07721	1.6
113.02435	3.4
117.82787	1.0
119.03501	2.2
120.11595	1.0
127.05153	3.5
127.08778	13.0
128.03548	100.0
153.06686	10.0
161.04628	5.2
171.06273	2.1
171.07761	42.9
171.62796	1.0
179.04622	3.1
181.12531	1.3
197.05656	3.1
215.06734	9.2
225.11305	2.0
228.46983	1.1
275.20163	2.6
293.21274	16.7
309.19083	2.1
327.19992	50.1
328.20261	3.3
414.23209	39.9
415.23489	3.8
447.89160	1.2
483.29639	6.7
525.26642	8.4
543.27454	23.8
544.27863	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	543.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91128	0.5
59.01385	0.7
60.55641	0.4
61.98838	3.3
63.96238	0.8
69.03478	0.4
70.51442	0.7
70.51835	0.9
71.01379	6.2
73.02948	1.4
78.98593	4.5
79.95737	10.0
80.96518	58.0
81.03460	0.4
82.41641	0.4
83.01408	0.4
85.02953	2.3
87.00870	1.9
94.98088	13.9
96.96027	1.2
97.02950	1.5
97.06615	0.4
99.00893	1.1
101.02452	2.9
106.98087	2.2
113.02468	0.5
117.44892	0.4
122.97586	5.2
125.02477	3.4
126.06644	0.4
127.04021	1.1
134.97581	4.7
136.99144	1.1
143.73412	0.4
148.99153	6.1
152.98650	6.6
164.98637	12.5
165.00052	0.7
167.00200	0.7
170.64320	0.4
179.00024	0.4
181.12318	0.6
182.99701	2.4
183.09013	0.4
188.98546	0.5
206.99638	2.8
207.10231	1.3
225.00743	23.1
225.11256	2.4
226.01033	0.8
243.01721	1.4
243.12387	1.1
246.02774	0.4
299.04407	2.6
310.11087	0.4
370.56104	0.4
543.17511	100.0
544.17798	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	543.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79161	0.7
59.01351	1.2
60.04362	0.7
61.98811	2.0
63.96238	1.0
69.83917	2.9
70.29003	0.7
71.01385	6.4
73.02928	1.7
78.98590	4.2
79.95285	0.8
79.95738	8.3
80.96516	53.5
82.94466	0.6
85.02943	2.6
87.00873	2.5
94.98081	14.8
96.95997	1.4
97.02956	1.4
98.30814	0.7
99.00854	1.5
101.02435	2.3
106.98066	2.6
113.02464	0.7
116.01031	0.7
122.97556	2.7
125.02439	2.5
127.03994	0.7
134.97566	4.4
136.99106	1.4
148.99138	6.0
152.98637	5.4
164.98619	12.7
180.31630	0.7
181.12344	1.1
206.99687	2.5
225.00739	20.4
225.11255	2.3
243.12201	0.9
299.04398	2.2
543.17511	100.0
544.17853	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	542.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	7.2
59.01379	5.1
61.98826	8.6
66.03471	1.7
68.05031	0.5
68.71571	0.5
69.28326	5.2
70.02956	1.3
71.01372	2.1
72.00898	1.7
73.02948	0.7
74.02468	18.2
81.04572	0.6
82.02969	2.5
84.04560	1.3
85.06527	0.5
86.02483	8.2
86.06130	1.1
86.99090	1.8
87.05625	4.6
89.42713	0.5
90.00185	2.1
93.05591	0.6
96.04544	0.9
96.95986	1.5
97.04072	2.1
99.05634	14.1
101.02484	0.8
101.07202	3.3
102.05591	2.3
107.06129	0.9
109.04096	2.9
109.07720	0.6
111.05637	0.9
112.04023	2.1
116.01744	1.9
121.04048	0.6
123.05654	1.7
124.04034	1.0
125.03579	2.0
126.01964	1.0
127.05161	2.7
128.03537	44.4
129.03876	0.8
129.81464	0.6
129.99702	0.8
135.05646	4.0
141.06702	2.8
143.04616	62.4
144.04945	1.2
145.06149	2.5
146.04584	6.0
149.07199	0.8
153.06676	4.2
154.48595	0.6
155.08238	0.8
160.00734	16.3
166.09837	2.6
167.04628	4.9
167.08275	3.0
170.03311	0.9
171.04141	0.8
171.07794	0.8
172.63466	0.5
177.03355	7.3
179.03218	1.0
179.04617	11.4
181.06148	1.9
184.11087	0.7
185.05629	2.1
189.59862	0.6
191.05554	0.9
192.07741	1.3
195.13847	2.9
197.05656	2.3
198.08908	0.7
210.08818	11.1
211.83499	0.6
213.03392	0.9
221.51251	0.6
228.09727	1.1
232.13194	0.6
239.12856	2.3
242.07872	1.5
252.74077	0.6
254.05099	0.9
254.07787	18.0
255.08150	0.8
272.08868	29.1
273.09109	1.6
286.68665	0.8
288.06546	11.6
305.50601	0.6
306.07639	100.0
307.07925	5.1
307.19138	0.6
542.21771	6.3
542.29199	1.0
543.22003	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	542.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.7
59.80560	1.8
61.98830	100.0
69.46688	8.3
69.47119	7.1
71.01390	4.5
71.45061	2.0
75.03599	1.8
78.98622	2.2
79.95719	2.5
80.96528	17.7
85.02983	4.1
93.03468	2.4
94.98111	3.3
99.00892	2.5
101.02490	3.1
128.03485	3.4
162.43739	2.4
163.11371	2.4
164.98773	2.9
173.04555	4.3
181.12383	4.0
182.12689	2.1
191.05617	3.8
199.13416	2.9
203.37587	2.0
207.10201	6.4
222.31566	1.8
225.00746	3.7
225.11295	8.2
225.15149	2.3
240.82373	2.2
243.12247	5.1
280.13461	4.5
324.12399	7.4
351.04916	4.7
479.21216	35.0
480.21588	3.8
542.16266	17.9
543.09485	2.1
543.17010	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	542.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61799	1.1
51.02136	1.2
59.01372	3.3
60.99305	4.4
61.98829	100.0
67.01888	4.5
69.03455	1.2
69.42277	5.1
69.42696	3.5
71.01378	4.1
79.95757	1.1
80.96517	10.3
81.03441	1.5
83.05023	1.4
85.02958	3.2
87.00881	9.0
88.98805	13.6
89.02462	1.8
93.03459	37.4
94.98122	2.1
98.19955	2.4
99.00883	6.0
101.02473	1.4
103.99936	1.1
109.62244	1.1
111.04509	5.5
125.09737	1.2
128.03532	2.0
129.10382	1.0
130.85048	1.0
155.03436	1.4
163.11224	2.7
164.98630	2.0
173.03111	2.3
173.04552	31.6
181.12340	4.5
191.05630	20.0
199.13403	2.9
207.10246	9.7
222.05530	1.1
225.00723	2.0
225.11322	15.2
226.01045	1.2
236.07079	5.7
237.07828	1.9
239.09651	1.7
243.12282	10.3
250.08734	2.7
252.14006	1.1
264.10278	1.2
265.11096	4.7
280.13412	21.5
281.13846	2.1
285.30072	1.3
324.12396	23.3
325.12976	2.3
351.05124	3.7
431.23175	1.2
479.21323	57.5
480.21460	4.1
498.17706	13.3
524.31030	1.5
542.16376	29.6
542.29535	2.0
543.16736	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	541.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99308	15.4
61.98820	2.4
69.46181	2.5
71.01387	0.4
72.90316	0.3
80.96513	1.4
87.00876	0.6
88.00404	1.8
88.04065	0.5
88.98806	100.0
89.02449	5.7
89.99158	0.8
92.63091	0.3
93.03480	0.5
96.96877	0.3
107.67221	0.3
173.04491	0.8
188.58841	0.3
193.20105	0.3
225.00812	0.4
277.31906	0.3
280.13474	0.7
324.12341	1.0
371.64435	0.3
383.27173	0.4
386.93921	0.3
433.53018	0.3
541.15765	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	541.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.7
59.01379	100.0
60.01718	0.7
61.98839	1.1
69.86956	1.8
71.01385	5.4
73.02953	1.7
74.99097	0.6
78.40546	0.4
80.58418	0.4
83.01383	0.9
85.02949	3.4
87.00877	1.0
89.02464	1.7
97.44497	0.4
98.20596	0.4
99.00899	1.2
101.02434	3.8
111.00877	0.5
113.02455	2.2
119.03536	1.1
129.05547	0.6
135.04579	0.9
141.01913	0.5
143.03540	0.6
159.03102	0.5
160.58946	0.4
161.04541	2.7
247.10979	0.7
248.11699	2.1
249.12492	1.2
263.20267	0.4
319.22806	0.6
408.01697	0.4
425.25595	1.1
463.27551	0.6
481.28329	1.5
541.32916	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3014
Annotation	Salvigreside C
Peak:m/z	Relative Intensity
55.01898	0.5
57.03442	0.5
59.01379	100.0
60.01721	0.6
61.98827	0.5
62.90798	0.4
69.60594	0.5
71.01385	7.0
72.99326	1.2
73.02958	2.1
80.60948	0.5
82.53267	0.5
83.01398	0.8
85.02953	3.1
87.00910	1.0
89.02469	1.7
93.57992	0.5
99.00885	1.1
101.02438	4.5
102.36679	0.4
109.99458	0.4
111.00908	0.7
113.02441	3.1
119.03527	0.9
141.01955	0.4
152.61073	0.5
159.02998	0.8
161.04552	2.6
227.26697	0.6
231.38216	0.5
303.23358	0.9
305.24802	0.5
319.22751	4.3
341.20831	0.7
425.25626	1.4
481.27954	4.6
483.29108	1.2
503.26459	1.1
541.24084	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	541.265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57284	0.4
55.01871	0.7
57.03446	1.4
57.98170	0.4
59.01383	3.8
69.03451	5.1
71.01373	1.5
71.05030	3.2
73.02913	0.4
76.27676	0.4
81.03474	0.7
83.05015	0.6
85.93113	0.4
95.05045	0.9
97.02942	2.5
97.06599	2.9
99.00876	14.2
109.06564	1.2
112.97470	0.5
123.08168	2.3
125.08815	0.7
125.09727	9.0
129.24292	0.4
135.08179	0.8
137.09723	0.7
140.49826	0.4
141.50186	0.4
142.02687	1.1
149.09738	0.5
151.11313	2.5
153.12851	1.4
155.14517	0.4
161.09717	3.8
163.11279	6.0
164.11577	0.4
168.84593	0.5
169.17247	0.4
179.10762	10.1
181.12334	12.3
185.11769	1.0
197.11824	45.7
198.12158	1.6
199.13391	5.9
207.10251	21.1
208.10583	0.6
223.09784	0.9
225.11311	31.6
226.11629	1.4
241.10812	8.4
243.12357	16.0
244.12614	0.7
297.13397	1.2
299.15021	1.7
303.70880	0.5
315.14450	5.8
317.16028	8.9
332.50815	0.5
361.24039	0.6
451.27063	0.6
469.27994	0.7
497.27701	2.4
523.25354	1.7
541.26538	100.0
542.26868	11.5
546.48358	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.7
57.03452	1.2
57.97182	0.5
59.01375	3.0
61.98829	0.8
69.03458	9.3
69.99122	2.0
71.01394	1.2
71.05022	3.0
71.40296	0.5
78.95911	1.5
81.03465	0.5
83.05021	0.9
96.96016	2.6
97.02951	0.6
97.06613	1.5
98.19962	0.6
99.00912	0.6
115.48783	0.5
123.08148	3.2
125.09733	5.1
134.45721	0.5
137.09784	0.7
149.09782	0.8
151.11290	4.9
152.54849	0.5
152.99612	1.0
153.12869	2.4
161.09732	6.0
179.10768	12.1
179.12228	0.8
180.11073	0.6
185.11780	0.7
189.12959	0.6
197.11830	96.4
198.12173	3.7
209.11806	0.6
223.09764	2.4
235.18700	0.5
241.10806	11.3
293.21317	0.7
297.13425	1.4
311.22293	1.9
315.14536	8.2
321.20480	0.6
359.22311	0.6
377.73715	0.5
395.24478	0.9
495.25815	3.7
539.25000	100.0
540.25336	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	539.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.5
59.01390	3.6
61.98835	3.8
63.79126	0.4
63.96233	1.1
69.03456	0.8
71.01382	8.4
72.99325	0.5
73.02953	1.8
74.56059	0.4
78.98592	5.1
79.95737	10.2
80.96519	65.0
81.03442	0.8
83.01382	0.6
85.02942	3.5
87.00883	2.7
88.61040	0.4
89.02431	0.7
93.05850	0.4
94.98089	15.6
95.01414	0.5
96.95998	1.0
97.02953	1.4
98.19915	0.8
99.00902	1.2
101.02451	3.5
105.66378	0.3
106.98076	3.2
113.02438	1.0
113.82462	0.4
122.97571	4.8
125.02451	3.5
127.04027	0.9
134.97592	4.8
136.99139	1.3
148.99126	5.0
152.98643	6.4
161.04494	0.5
164.98637	11.0
165.98833	0.5
182.99704	2.9
195.13914	4.8
206.99698	2.8
207.34038	0.4
225.00748	21.1
226.62163	0.4
243.01744	1.3
272.09015	0.5
299.04306	2.4
539.18048	100.0
539.29749	4.1
540.18323	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	537.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14645	0.3
56.39280	0.3
59.01380	46.4
59.69841	0.3
60.01735	0.4
60.99302	0.5
61.45358	0.4
61.98830	3.2
66.36588	0.3
70.82390	0.8
71.01373	0.8
71.01731	0.3
83.66408	0.3
88.98807	3.4
89.02463	1.0
93.03466	0.3
96.00925	0.4
96.12596	0.3
96.96008	0.5
101.02480	0.6
105.01875	0.4
109.02968	2.2
113.02487	0.6
125.02460	0.4
127.05137	0.5
128.03532	1.5
131.07143	100.0
132.07483	2.2
135.00934	0.3
136.01685	1.0
149.02466	0.4
149.50713	0.3
150.03253	0.5
151.03957	1.7
169.66408	0.3
173.04532	0.4
176.04764	0.7
189.05666	0.5
190.06438	0.5
191.05557	0.7
191.07095	0.8
231.51306	0.4
267.06631	4.4
279.06696	0.8
282.08969	4.0
283.09460	0.7
297.07864	0.6
297.11325	10.2
298.11710	0.8
299.01935	0.6
312.10010	1.5
327.12381	8.0
328.12720	0.5
343.00980	0.6
345.13351	4.9
346.13861	0.4
357.13440	1.1
375.14481	5.0
376.14395	0.4
404.18408	0.8
502.18784	0.5
537.20905	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71365	4.6
58.99783	5.2
59.01161	4.8
59.01379	54.1
61.98833	100.0
70.93757	12.6
71.01372	19.9
73.02959	8.1
74.84791	4.8
83.01417	5.4
85.02946	6.6
89.02449	9.5
92.85694	4.6
93.03460	5.1
99.00927	5.2
101.02421	15.7
115.00332	6.3
138.38728	4.6
173.04561	6.0
185.00859	6.7
191.05724	5.7
244.95805	5.4
320.27521	6.2
421.24359	30.9
501.30655	10.0
537.27551	47.7
538.29236	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	537.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71365	4.6
58.99783	5.2
59.01161	4.8
59.01379	54.1
61.98833	100.0
70.93757	12.6
71.01372	19.9
73.02959	8.1
74.84791	4.8
83.01417	5.4
85.02946	6.6
89.02449	9.5
92.85694	4.6
93.03460	5.1
99.00927	5.2
101.02421	15.7
115.00332	6.3
138.38728	4.6
173.04561	6.0
185.00859	6.7
191.05724	5.7
244.95805	5.4
320.27521	6.2
421.24359	30.9
501.30655	10.0
537.27551	47.7
538.29236	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	537.2526
Annotation	Okaramine P
Peak:m/z	Relative Intensity
51.75158	0.2
57.13871	0.2
58.29509	0.2
59.01379	0.7
61.98825	1.9
71.01376	0.3
78.95911	0.2
79.95740	2.6
81.49272	0.2
86.54576	0.2
96.96011	100.0
97.95937	0.3
98.95598	0.4
101.02418	0.2
105.36886	0.2
110.02489	0.4
111.02011	0.5
113.93031	0.2
130.26221	0.1
152.99622	0.2
179.28027	0.2
198.24028	0.1
259.38181	0.2
264.73538	0.2
401.15924	0.2
431.41495	0.2
537.25269	36.1
538.25580	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	537.2523
Annotation	Okaramine P
Peak:m/z	Relative Intensity
59.01375	1.0
61.98834	3.4
66.54530	0.3
71.01388	0.6
71.51982	0.3
75.00885	0.5
78.95911	1.3
79.95747	2.5
96.96011	100.0
98.20425	0.3
101.02457	0.3
121.53456	0.3
152.99573	1.1
171.10289	0.5
197.11783	0.8
286.36334	0.3
291.19675	0.7
295.89072	0.3
309.20718	1.3
315.19510	0.3
316.41498	0.3
537.25226	46.4
538.25525	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	537.2522
Annotation	Okaramine P
Peak:m/z	Relative Intensity
59.01375	0.6
61.98825	1.7
64.56870	0.3
71.01376	0.4
71.53307	0.3
74.98840	0.2
78.95899	1.6
79.95740	2.8
93.89550	0.2
96.96012	100.0
97.95981	0.4
98.95596	2.4
98.96178	0.3
122.97588	0.8
151.11310	0.3
152.99574	1.8
165.12923	0.3
181.12331	0.4
209.11845	2.4
245.04163	0.3
268.74658	0.3
269.68558	0.2
291.19608	1.3
309.20673	1.9
360.23590	0.3
450.22958	0.3
537.25256	32.4
538.25452	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	15.0
61.98538	6.8
61.98835	100.0
71.01382	15.6
72.83589	3.7
73.02960	5.3
78.95914	8.0
98.20644	17.1
101.02415	7.2
111.08113	4.6
111.62298	3.9
113.75925	4.9
122.22843	5.0
161.04565	4.7
229.45993	5.3
245.04362	5.3
469.28058	69.1
470.29153	5.6
535.27124	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	537.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.7
59.01380	52.1
61.98812	2.1
67.01893	0.8
68.99830	1.5
69.03468	0.9
70.25774	1.5
71.01387	14.4
72.99296	2.9
73.02937	1.6
75.00866	9.7
82.95417	1.3
84.95117	7.1
85.02948	12.4
87.00882	4.3
89.02435	4.8
89.23074	0.7
91.04032	0.8
93.87944	0.7
95.01403	3.7
99.00894	5.7
99.04516	1.7
101.02464	1.0
109.02930	1.3
111.00865	1.0
113.02454	17.5
115.00365	1.9
117.01914	2.1
129.01923	1.4
135.04546	0.7
135.66338	0.7
165.12859	1.0
175.02402	1.5
178.43945	0.8
189.04022	0.8
205.07140	0.9
207.13907	2.2
209.11845	3.8
225.14828	2.0
227.12852	8.8
231.04999	1.2
249.06184	16.9
251.13055	1.1
267.07190	8.3
269.13895	1.9
287.15048	3.4
309.05023	1.2
309.08212	5.2
343.17477	1.0
361.18582	1.7
398.63312	0.8
407.81296	0.9
475.22067	1.1
501.19595	0.9
519.20770	9.1
520.21045	1.2
537.21881	100.0
538.22162	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	535.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39630	0.1
59.01386	0.2
61.98821	0.3
67.00249	0.1
67.13781	0.1
71.51659	0.2
78.95897	1.9
79.95735	2.1
80.23937	0.1
96.96008	100.0
97.95940	0.3
120.69004	0.1
152.99583	3.5
171.00600	0.2
174.10591	0.1
200.40933	0.1
262.98834	0.1
356.74643	0.1
403.17770	0.1
429.21756	0.1
449.19226	0.2
535.23651	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	535.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30565	0.2
59.01378	0.4
59.22683	0.2
61.98833	2.0
71.53786	0.3
71.91290	0.2
74.34696	0.2
78.95904	1.0
79.95731	2.0
85.52778	0.2
96.96011	100.0
118.75398	0.2
121.12366	0.2
146.81032	0.2
152.99603	1.4
160.44504	0.2
241.17050	0.2
324.13229	0.2
400.69113	0.2
535.23651	0.5
536.24811	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02970	4.6
59.01105	1.2
59.01376	14.8
61.98829	25.3
69.69827	1.6
69.70239	3.8
71.01383	6.0
73.02943	7.5
74.02084	1.5
74.02470	13.9
82.02993	1.5
83.01376	2.3
85.02924	1.5
86.02481	5.7
86.99120	1.1
87.05638	2.6
88.98799	5.9
89.02419	4.6
90.00172	1.1
97.04069	1.3
98.20637	1.5
99.05647	9.9
101.02434	7.4
101.07191	2.0
102.05590	1.7
106.97362	0.9
107.41415	0.8
109.04064	1.9
112.03996	1.1
113.02435	2.4
119.03552	1.3
125.03512	0.9
127.05125	2.2
128.03539	31.2
132.04559	4.7
134.06122	2.5
135.05641	2.9
137.07161	1.1
141.06706	2.8
143.03644	1.6
143.04614	43.6
145.06198	1.5
146.04567	3.8
148.62350	0.8
149.04527	2.1
153.06648	2.5
160.00737	9.6
161.04524	3.6
166.09801	1.8
167.04578	2.8
167.08185	1.2
170.03262	1.0
177.03386	3.7
179.04596	8.7
181.06253	1.0
185.05650	1.4
192.07780	1.2
205.97978	0.8
210.08778	8.2
221.06616	1.0
242.07706	1.0
254.07803	9.1
272.08875	18.4
273.09229	1.4
279.11441	1.8
288.06601	6.6
300.21924	0.9
306.07642	100.0
307.08014	4.5
323.10376	1.6
359.91586	0.9
459.17783	2.1
503.16684	13.0
517.17950	1.3
534.21289	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	534.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44704	1.4
56.98784	1.1
58.02976	5.8
59.01379	59.5
61.98830	100.0
69.64317	7.7
70.03015	1.2
71.01379	22.4
73.02946	30.9
74.02478	10.8
82.02975	1.6
83.01392	11.4
85.02967	3.1
86.02474	4.8
88.98793	3.4
89.02430	8.3
99.05633	9.5
101.02443	35.5
101.07230	1.8
102.05607	1.7
109.04082	1.7
113.02467	8.4
119.03516	3.8
125.02533	1.6
127.05132	2.2
128.03543	30.5
131.03468	2.8
132.04553	3.3
134.06087	3.2
134.63284	1.3
135.05617	2.8
137.07262	1.7
141.06696	2.7
143.03508	3.1
143.04611	38.1
145.06181	2.1
146.04602	4.1
149.04549	6.9
153.06703	3.7
160.00757	10.8
161.04552	13.5
162.44293	1.3
167.04597	1.7
167.08255	2.3
177.03394	4.1
179.04584	8.8
203.05614	1.8
210.08846	6.4
221.06693	3.6
242.07764	1.7
254.07790	12.1
272.08871	18.4
279.11334	2.2
288.06525	6.3
306.07632	88.0
307.07944	3.6
323.10422	1.4
459.17862	2.2
503.16806	13.1
534.20465	2.5
544.49133	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	533.2602
Annotation	Blumenol C 9-O-(4'-O-glucosyl-beta-glucoside)
Peak:m/z	Relative Intensity
55.01857	5.8
57.03453	9.3
58.00601	2.9
58.02971	1.4
59.01378	95.9
61.98828	52.9
62.00603	1.3
63.27488	1.2
63.50589	1.3
64.48817	1.2
69.03426	3.2
71.01378	100.0
71.05016	1.9
71.53330	2.3
72.99297	7.0
73.02567	1.4
73.02943	24.5
75.00861	2.5
83.01389	18.5
83.04984	1.3
84.02147	2.2
85.02945	44.9
87.00847	5.9
87.29890	1.5
89.02441	53.4
93.03434	2.5
95.01380	7.2
96.95962	1.6
97.02902	3.6
97.06574	3.2
99.00886	9.0
99.04507	1.8
101.02440	98.1
102.02728	1.8
111.00844	3.0
113.02442	52.2
115.03990	1.3
119.02686	1.6
119.03499	23.7
125.02416	2.9
129.01883	2.5
131.03487	2.9
137.09659	1.3
143.03542	7.6
143.04419	2.0
149.04491	2.7
149.09749	1.4
159.02908	5.7
161.04543	41.9
163.11427	1.4
173.04482	2.4
179.05603	13.0
191.05487	4.5
205.03317	1.7
209.15437	6.3
209.17030	1.3
221.11661	1.7
227.57745	1.4
253.09200	7.0
262.40710	1.3
297.17044	17.4
371.20694	93.7
372.21036	7.1
473.27206	1.6
490.22409	2.0
521.81500	1.4
533.25726	97.9
534.25873	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	533.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68554	0.3
57.58311	0.3
59.01381	1.2
61.98829	3.0
68.59090	0.3
69.03436	0.3
69.58409	2.0
71.01369	0.9
71.57204	0.3
79.35996	0.3
85.02953	9.0
87.00871	1.9
88.97707	0.3
89.02457	0.4
93.03447	2.9
98.19968	0.4
99.00900	0.4
109.02966	0.8
111.04499	0.6
127.04031	2.1
146.96608	0.3
148.94998	0.9
162.93976	0.5
171.02969	0.4
173.04517	1.0
190.96004	0.9
191.05608	100.0
192.05917	2.9
195.99712	0.4
196.01695	0.3
225.90991	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.8
59.01382	17.6
60.30221	0.9
61.98833	48.1
65.89736	0.9
70.26581	3.4
71.01382	11.2
73.02960	3.4
85.02959	3.6
87.00878	2.6
89.02446	7.8
93.03455	2.1
96.95999	4.7
101.02453	9.6
102.04315	0.8
109.49873	0.8
110.63392	0.8
111.00916	0.9
113.02504	4.9
119.03526	3.6
121.02954	2.7
123.08194	1.6
131.03513	1.3
134.03737	1.2
141.28552	1.1
143.03485	1.7
143.07216	1.2
145.02908	1.6
161.04602	2.4
163.06131	2.9
176.61818	0.9
179.05609	1.7
191.05595	2.0
192.04288	1.1
193.04991	1.0
195.08009	1.0
205.07181	1.7
207.08154	2.0
209.06210	1.1
211.07637	2.0
221.06128	2.0
222.06866	1.9
223.07628	3.8
233.05954	1.4
234.06934	1.3
235.07674	3.2
237.05498	1.8
237.37625	0.9
239.07141	6.4
249.05586	3.1
250.06212	2.0
251.07135	15.9
252.07703	1.3
253.09157	1.0
261.05499	1.5
261.14804	2.3
262.06335	2.4
263.07120	8.5
264.07925	4.0
265.05115	1.1
266.05908	1.7
267.06610	27.3
268.06927	2.1
277.05063	1.9
277.08545	1.1
278.05865	2.0
278.09293	1.4
279.06616	24.8
279.09583	1.1
280.06967	1.8
281.08218	2.0
282.08966	12.9
283.09546	1.2
293.08170	1.9
294.05341	7.6
294.08942	7.9
295.06055	9.2
295.09210	1.7
297.08417	1.0
297.11331	6.6
307.06104	4.6
307.13876	2.7
308.07214	1.2
309.07785	7.7
310.08548	4.5
311.05637	3.2
321.07617	1.9
322.08383	7.5
323.05621	25.8
323.09094	2.9
324.05893	1.4
326.07922	11.6
337.07111	2.4
338.07965	19.2
339.08035	2.1
340.89307	0.9
341.10306	62.8
342.10611	3.9
353.10306	100.0
354.10727	6.2
371.11334	2.5
448.91843	1.0
473.27380	1.8
533.29510	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	533.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.8
59.01382	17.6
60.30221	0.9
61.98833	48.1
65.89736	0.9
70.26581	3.4
71.01382	11.2
73.02960	3.4
85.02959	3.6
87.00878	2.6
89.02446	7.8
93.03455	2.1
96.95999	4.7
101.02453	9.6
102.04315	0.8
109.49873	0.8
110.63392	0.8
111.00916	0.9
113.02504	4.9
119.03526	3.6
121.02954	2.7
123.08194	1.6
131.03513	1.3
134.03737	1.2
141.28552	1.1
143.03485	1.7
143.07216	1.2
145.02908	1.6
161.04602	2.4
163.06131	2.9
176.61818	0.9
179.05609	1.7
191.05595	2.0
192.04288	1.1
193.04991	1.0
195.08009	1.0
205.07181	1.7
207.08154	2.0
209.06210	1.1
211.07637	2.0
221.06128	2.0
222.06866	1.9
223.07628	3.8
233.05954	1.4
234.06934	1.3
235.07674	3.2
237.05498	1.8
237.37625	0.9
239.07141	6.4
249.05586	3.1
250.06212	2.0
251.07135	15.9
252.07703	1.3
253.09157	1.0
261.05499	1.5
261.14804	2.3
262.06335	2.4
263.07120	8.5
264.07925	4.0
265.05115	1.1
266.05908	1.7
267.06610	27.3
268.06927	2.1
277.05063	1.9
277.08545	1.1
278.05865	2.0
278.09293	1.4
279.06616	24.8
279.09583	1.1
280.06967	1.8
281.08218	2.0
282.08966	12.9
283.09546	1.2
293.08170	1.9
294.05341	7.6
294.08942	7.9
295.06055	9.2
295.09210	1.7
297.08417	1.0
297.11331	6.6
307.06104	4.6
307.13876	2.7
308.07214	1.2
309.07785	7.7
310.08548	4.5
311.05637	3.2
321.07617	1.9
322.08383	7.5
323.05621	25.8
323.09094	2.9
324.05893	1.4
326.07922	11.6
337.07111	2.4
338.07965	19.2
339.08035	2.1
340.89307	0.9
341.10306	62.8
342.10611	3.9
353.10306	100.0
354.10727	6.2
371.11334	2.5
448.91843	1.0
473.27380	1.8
533.29510	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	532.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.0
59.71568	0.2
61.98832	100.0
69.50541	1.0
69.50944	0.5
71.01411	0.3
85.02965	0.2
89.02453	0.5
101.02467	0.3
115.39676	0.2
173.04480	0.4
375.57553	0.2
393.17551	0.2
532.26025	0.7
533.31165	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60680	1.0
59.01381	1.2
61.98830	12.6
71.01385	19.9
71.52857	1.5
73.04071	14.1
74.02464	1.9
82.02966	1.0
85.04051	2.4
88.04041	21.5
103.05127	2.3
110.03592	1.2
112.05151	2.8
113.03574	5.8
115.00377	22.4
115.08788	1.8
125.03513	1.1
125.07156	1.1
128.03558	1.4
129.10347	5.4
130.06229	23.2
130.08757	7.3
132.03030	18.6
138.05568	1.8
139.08743	2.1
142.06201	1.9
147.87025	1.0
153.09038	1.8
154.09900	1.5
154.29071	1.0
155.08252	3.1
160.07283	4.1
168.11414	4.4
172.10936	2.1
183.14967	1.3
185.16614	1.1
191.05627	2.4
193.13446	20.3
199.11176	1.1
201.12520	2.5
210.16084	16.7
211.12000	4.1
211.14410	2.2
211.16386	1.2
212.10405	2.1
224.07874	1.1
228.17155	19.9
229.12976	1.1
229.17551	1.2
242.18694	2.9
250.15584	1.1
254.15114	1.5
256.20432	1.6
267.18237	5.6
285.19351	5.8
297.19092	1.3
299.20685	1.3
324.20438	16.4
342.21426	29.4
343.21667	1.6
354.21286	2.2
372.22488	21.0
373.20898	13.4
414.23401	1.9
417.23523	10.5
444.24713	6.0
445.24625	1.4
470.22525	2.2
488.23615	30.9
489.23904	2.0
514.24963	8.3
532.26257	100.0
533.26514	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	532.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70727	0.1
51.97967	0.1
59.01379	1.4
61.58095	0.1
61.98827	100.0
62.98523	0.2
70.85600	0.2
70.85942	0.1
71.01379	0.8
73.02940	0.2
74.09632	0.1
85.02952	0.3
89.02457	0.5
93.03476	0.1
101.02459	0.4
107.60116	0.1
111.04572	0.1
111.55957	0.1
113.02454	0.3
119.03511	0.1
125.26842	0.1
130.08774	0.2
161.04640	0.2
173.04588	0.5
174.04910	0.2
191.05573	0.2
194.56020	0.1
235.34296	0.1
253.09254	0.3
297.17123	0.3
445.22705	0.2
532.25140	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72459	0.2
59.01372	0.9
59.33438	0.2
61.98831	100.0
71.01394	0.4
71.62501	0.2
89.02456	0.2
101.02474	0.2
113.02441	0.2
167.97798	0.2
229.67522	0.2
234.93961	0.2
311.05069	0.2
552.64032	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
58.02975	8.6
59.01380	22.8
61.98832	100.0
69.19611	3.9
69.20028	9.3
70.02990	1.7
71.01387	19.3
72.00903	1.2
72.99321	2.1
73.02950	4.8
74.02478	22.6
74.62531	1.2
80.84081	1.3
82.03009	1.9
84.04479	1.2
85.02945	5.2
85.86607	1.3
86.02486	7.6
86.99078	1.6
87.00867	2.7
87.05638	3.9
89.02450	18.3
89.54089	1.2
90.02780	1.8
93.02915	1.2
93.03473	7.5
96.95997	4.3
97.04079	2.2
98.20686	2.5
99.00878	6.2
99.05640	17.8
100.00381	1.3
101.02441	12.1
101.07252	2.9
102.05614	1.5
109.04059	3.1
110.85546	1.1
111.04512	1.7
112.04010	2.0
113.02477	6.5
116.01809	1.6
119.03513	3.1
121.04161	1.2
123.05643	2.1
125.02473	1.9
125.03566	3.7
127.05139	3.8
128.03548	46.8
131.03438	3.0
135.05620	5.5
141.06686	3.6
143.04625	63.2
145.06168	2.6
146.04636	5.8
149.04555	7.1
149.05554	1.3
153.06679	4.0
160.00749	17.3
161.04558	4.6
166.09842	2.5
167.04588	4.1
167.08220	3.4
170.03362	1.8
173.04553	4.8
177.03334	6.7
179.04573	14.6
181.06120	1.4
185.05692	2.4
191.05623	12.7
192.07718	1.7
197.05614	2.2
205.12360	1.5
210.08855	13.8
240.10332	3.0
254.07826	27.3
268.13312	1.7
272.08881	40.4
284.09171	2.4
288.06677	11.1
293.09195	1.4
296.12878	1.9
306.07654	95.2
307.07932	5.7
340.11896	3.7
371.20700	4.4
496.16550	1.8
514.17242	16.3
515.17548	2.3
531.28326	1.8
532.19714	16.5
532.28564	9.5
533.17737	2.1
533.26129	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	531.3173
Annotation	L-olivosyl-erythronolide B
Peak:m/z	Relative Intensity
53.44802	1.1
55.01878	1.4
57.03427	2.3
59.01374	13.2
60.46547	1.2
61.98829	11.8
71.01387	18.0
71.54452	2.2
72.99303	6.5
73.02968	1.9
73.68888	1.2
75.00532	1.4
75.00878	19.5
78.95901	1.6
85.02952	21.8
87.00859	7.7
89.02450	6.0
92.24553	1.4
95.01385	4.9
99.00889	11.1
103.00383	1.9
108.32121	1.3
110.98563	1.3
113.02451	32.3
113.52913	1.5
115.00375	1.8
117.01894	1.6
129.01952	2.2
175.02470	5.2
223.08185	1.5
232.88525	1.4
249.06189	7.5
267.07166	11.2
279.23285	11.4
281.24850	81.7
282.25327	6.6
302.34656	1.3
389.37576	1.2
447.25162	2.8
513.30634	2.7
531.31708	100.0
532.23120	3.4
532.32056	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	531.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.5
57.55038	0.5
59.01379	100.0
59.67115	0.4
60.01711	1.2
61.98833	6.8
66.91676	0.4
69.45059	3.5
71.01382	10.5
72.99320	0.6
73.02949	0.5
78.91887	11.2
80.18341	0.5
85.02955	2.1
86.50433	0.4
87.00890	1.8
89.02444	16.4
93.03443	0.5
95.01401	0.8
99.04527	0.8
101.02451	5.4
113.02462	4.8
119.03503	6.3
125.02459	0.7
131.03537	1.3
134.45905	0.5
137.02518	0.4
143.03537	1.7
149.04570	0.9
160.82442	0.5
161.04576	1.8
173.04596	0.8
179.05609	7.0
179.07025	0.7
191.05626	4.5
212.55833	0.5
213.11288	0.6
220.27084	0.4
227.12991	0.4
249.11140	0.8
287.14911	0.6
303.56372	0.5
309.13272	0.6
531.28485	1.0
553.15875	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82115	0.9
58.51561	0.8
59.01386	1.2
61.98831	100.0
69.52292	1.9
69.52704	3.7
81.18014	0.7
83.81372	0.6
98.20628	1.2
250.46808	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.7
59.01384	4.6
60.99298	1.0
61.98831	31.5
63.14472	0.3
67.01894	4.2
69.03453	1.4
69.43945	1.3
69.44353	0.9
71.01386	3.5
73.02938	0.6
77.03964	0.4
77.13124	0.3
79.83356	0.3
81.03453	1.0
83.01427	0.4
83.05025	1.1
85.02953	9.7
87.00880	5.8
88.68939	0.3
89.02454	1.5
93.03461	22.9
95.01357	0.4
95.05043	0.7
96.95986	0.5
99.00871	0.8
99.04529	0.6
101.02434	1.4
102.47382	0.3
105.03449	1.4
109.02959	1.8
111.00879	0.7
111.04519	4.3
113.02448	1.2
113.06081	0.7
113.70292	0.3
115.13718	0.3
117.95382	0.3
119.03466	0.6
123.04546	0.3
127.04012	2.0
129.01929	0.9
132.02184	3.2
133.02959	12.5
134.03851	0.7
135.04530	4.9
137.02452	1.7
143.03519	0.6
146.03693	0.5
147.04533	0.4
149.06070	0.4
155.03473	0.9
160.01656	8.7
161.02451	13.6
161.04497	0.6
162.02827	0.6
165.05582	0.8
171.03055	0.7
173.04547	17.4
174.03185	0.4
177.01935	5.4
178.02678	1.3
179.03526	1.8
179.06981	0.4
191.05617	100.0
192.05972	2.7
193.04930	0.4
202.02798	0.4
215.05591	3.4
222.69386	0.3
307.08130	0.6
339.08713	25.7
340.09183	1.4
351.07193	8.7
352.07788	0.6
357.09909	2.2
501.57663	0.3
531.15112	5.2
531.24475	1.1
531.27136	1.1
532.15479	0.5
554.91223	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	8.6
61.98830	100.0
64.39447	0.4
71.01383	1.9
72.99323	0.7
73.02949	0.7
74.02473	1.5
81.79411	0.5
85.02951	1.6
89.02445	2.5
98.20743	1.0
99.31741	0.6
101.02454	2.0
113.02466	1.0
129.01984	1.1
153.18642	0.5
161.04611	0.8
173.04625	0.8
401.73654	0.5
451.54532	0.5
460.48199	0.5
530.28540	1.9
531.28125	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	530.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.0
61.98830	100.0
63.40876	0.5
71.28677	1.2
83.39760	0.6
83.49243	0.5
84.59535	0.6
169.15671	0.7
178.34834	0.6
251.52586	0.6
261.30188	0.6
299.18134	0.6
310.85962	0.6
318.15646	0.6
379.63309	0.6
524.63000	0.6
531.20380	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3015
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
51.91193	1.3
53.40820	1.0
55.01869	1.5
57.03434	3.4
59.01380	19.9
63.85543	0.9
67.01878	1.1
69.32526	5.1
69.32940	3.1
71.01377	21.8
72.99306	6.4
75.00871	20.9
78.95885	2.2
83.01396	1.4
83.29668	1.0
85.02946	27.1
87.00883	7.7
89.02436	5.0
95.01394	6.7
98.19846	1.6
99.00877	11.9
103.00375	4.3
111.00884	1.2
113.02449	36.7
114.02751	1.3
115.00349	2.5
117.01953	3.1
129.01921	3.8
131.03485	1.1
157.01495	1.5
175.02460	4.5
193.56625	1.1
205.07138	2.8
205.71893	1.0
213.21587	1.1
219.89293	1.1
223.08113	1.6
224.06847	1.4
233.69597	1.0
249.06168	8.2
255.23253	12.3
267.07205	10.5
279.23270	86.3
280.23746	6.4
280.90125	1.0
295.63089	1.3
480.30798	6.7
511.28772	2.8
529.30164	100.0
530.30432	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	529.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17184	1.0
55.01883	1.3
57.03437	1.9
57.87759	1.0
59.01381	100.0
59.28461	1.0
61.98829	11.7
69.19239	11.0
71.01383	30.9
72.15911	0.9
72.99302	2.1
73.02947	9.1
77.73882	0.9
80.91700	1.1
83.01377	2.8
83.52347	0.9
85.02948	9.0
87.00880	1.4
89.02444	28.9
97.02940	2.4
99.00882	10.0
101.02441	24.1
113.01745	1.0
113.02460	12.8
119.03529	5.7
125.02452	1.8
131.03514	4.7
143.03476	2.7
144.13129	1.1
149.04556	17.6
159.02995	2.3
161.04555	15.8
166.30151	1.1
179.05583	2.1
182.40936	1.1
191.05656	5.0
221.06647	1.2
224.35397	1.2
241.89049	1.2
251.07671	2.3
289.30560	1.1
341.76782	1.1
397.22113	2.8
469.28070	10.8
486.10577	1.1
529.26611	20.2
530.27118	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72987	7.6
56.00885	7.4
59.01388	10.2
61.98832	14.4
69.49606	41.8
69.50017	13.7
78.95908	20.9
96.95979	13.9
98.20624	14.6
104.31924	6.9
110.98534	12.7
141.56268	6.5
161.02467	9.9
167.01202	9.6
199.04700	8.5
260.60214	7.3
279.23264	100.0
280.23642	10.4
304.56375	7.2
311.58273	6.9
445.63376	8.1
447.24997	62.4
448.25775	8.4
482.30414	7.8
529.30896	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3019
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
52.06777	0.8
55.01878	0.8
57.03440	2.3
59.01384	13.9
61.98820	0.9
62.34763	0.8
68.99806	1.5
71.01383	14.6
72.99324	5.7
73.02944	1.5
75.00871	18.6
78.95898	1.6
83.01369	0.9
85.02949	17.9
87.00887	7.4
88.98803	1.3
89.02461	3.5
93.03467	1.1
95.01377	4.2
98.19905	2.8
99.00888	10.6
101.02439	0.7
102.93361	0.7
103.00372	1.8
113.02448	24.2
115.00329	2.0
117.01932	2.9
121.68945	0.7
121.83003	0.9
129.01939	1.8
152.99556	3.0
175.02463	3.4
205.07259	1.3
224.88054	0.8
228.32964	0.8
229.48352	1.1
231.05106	3.1
249.06133	22.7
267.07227	3.0
277.21747	0.8
279.23279	87.3
280.23688	7.0
356.13394	0.8
438.41385	1.0
469.27542	1.0
511.29150	3.1
529.30164	100.0
530.30402	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	529.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26203	0.4
59.01380	100.0
60.01726	0.8
61.98829	2.0
66.18066	0.4
69.35376	0.3
70.07831	0.3
70.94212	0.9
71.01402	0.4
75.00854	0.4
78.23110	0.4
114.05647	0.4
116.65467	0.4
161.87392	0.4
178.59494	0.4
195.13536	0.4
203.90779	0.5
253.09267	0.4
293.21289	1.3
451.25082	0.5
469.25397	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.8
61.81031	0.6
61.98832	9.0
66.95425	0.5
67.01883	0.6
67.90025	0.5
69.52004	0.5
70.33901	2.0
71.01379	3.4
73.04070	0.8
73.04961	0.5
74.02470	0.7
76.34145	0.6
78.95914	2.5
79.95728	0.6
83.01389	0.9
85.02950	2.0
87.00878	0.6
89.02428	1.3
93.03467	4.6
93.56678	0.6
96.00928	1.1
96.96021	5.3
96.96982	2.7
97.51578	0.6
101.02430	2.1
111.04512	0.7
113.02448	1.3
116.92881	0.8
119.95632	0.6
125.25599	0.7
127.05174	0.9
128.03542	1.8
130.08714	1.0
137.00629	1.3
137.02492	1.3
146.02472	0.7
150.00172	1.7
155.03462	1.3
163.99420	3.1
164.01755	2.4
164.98895	0.7
165.00162	5.7
173.04547	24.1
174.04910	0.7
177.99681	7.6
191.00485	7.2
191.05588	3.2
192.01242	38.7
193.01584	1.7
194.29344	0.6
204.01253	1.6
205.02046	1.2
235.11826	1.4
248.03854	100.0
249.04114	5.1
292.02853	62.4
293.03235	3.7
367.16281	1.2
397.16995	0.7
466.07922	8.4
528.31464	1.6
529.21655	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	529.156
Annotation	Pikuroside
Peak:m/z	Relative Intensity
57.03444	0.9
59.01367	2.9
60.99302	3.2
61.98829	9.3
65.59749	0.7
67.01893	7.7
69.03455	2.5
69.59766	0.8
71.01369	5.0
71.54178	1.2
74.02489	1.4
78.95903	10.2
81.03454	1.5
83.05019	1.7
85.02957	6.0
87.00883	12.1
88.04043	1.1
93.03459	57.9
94.03782	0.8
94.04428	0.7
96.00932	1.3
96.96019	13.8
96.96955	18.3
99.00883	1.7
99.04554	1.1
101.02462	1.4
111.04520	8.9
127.04059	1.3
127.05142	1.0
128.03510	2.3
129.01929	1.0
131.07144	1.1
134.03740	15.7
135.04608	0.8
137.02428	3.5
137.51099	0.8
146.02449	1.0
149.06090	4.0
155.03526	1.8
163.99385	1.5
164.01724	1.1
165.00134	1.3
171.07779	1.2
172.31825	0.7
173.04543	27.5
174.04869	1.0
175.03911	0.9
177.99631	3.6
178.02692	8.6
179.03371	1.1
191.00475	3.3
191.05605	100.0
192.01237	14.2
192.06042	2.1
193.05060	21.5
248.03857	45.0
249.04117	2.6
292.02863	24.7
292.06152	1.1
293.03360	0.9
317.83990	0.8
367.10294	21.6
368.10736	2.0
378.60269	0.8
409.11353	3.1
443.98929	0.8
447.22427	1.2
466.08133	2.6
469.20596	1.5
486.20276	1.2
511.25589	1.0
529.15643	69.3
530.15942	6.5
530.22906	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	528.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89394	0.7
52.55438	0.7
59.01372	2.4
59.47538	0.6
61.98827	19.5
63.53717	0.7
63.99235	1.2
66.03468	1.1
71.01382	18.7
71.52195	0.9
79.12724	0.7
80.64725	0.7
80.96530	0.9
82.06607	0.7
85.02924	1.0
87.00901	1.1
87.05643	3.1
88.04039	20.9
93.03459	2.4
96.00903	0.8
96.96013	2.3
98.02481	2.6
99.00822	0.8
101.02447	0.8
108.02151	1.4
114.01971	0.9
114.05605	3.2
115.00371	25.1
115.01163	1.5
115.08764	9.9
116.92928	0.8
122.09750	1.1
125.05962	1.1
128.03511	2.3
129.10339	8.9
130.08742	14.5
132.03020	19.0
139.08813	3.3
140.07130	0.9
140.10797	1.2
143.04686	0.7
152.01144	1.2
153.10272	1.5
155.08241	0.9
155.11862	2.0
157.13487	5.6
165.10321	27.5
166.08743	3.8
167.03474	3.5
171.10278	1.2
173.04550	2.8
173.05934	0.7
181.13489	0.9
182.12997	18.1
183.11360	2.3
183.15051	1.9
186.08794	0.8
186.12540	0.7
191.05621	4.7
200.14040	14.2
200.15872	0.7
200.21420	0.6
201.12402	3.7
210.16124	1.2
211.14575	5.2
223.69247	0.6
227.10356	1.9
228.17162	24.9
229.17450	1.2
238.19264	2.7
245.11470	0.8
254.18808	0.7
270.21796	1.2
272.16217	1.3
281.19839	2.5
295.21429	2.8
299.20935	2.5
306.07620	1.4
363.97971	0.7
369.28830	1.5
394.28339	6.6
395.28998	0.8
398.27823	1.1
399.25684	0.9
412.29263	28.5
413.27655	43.8
414.27975	3.3
447.30145	0.8
484.31311	8.0
510.29550	1.0
528.30414	100.0
529.19489	0.9
529.22247	0.8
529.30743	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	528.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02847	0.4
59.01380	3.8
60.01714	0.7
61.98832	100.0
69.34895	2.6
69.35305	0.9
73.50279	0.4
86.00470	0.4
96.40028	0.4
133.73206	0.4
182.83931	0.4
224.36949	0.4
236.32089	0.4
270.28647	0.4
276.17734	0.5
358.63861	0.4
435.28558	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98822	4.6
71.01375	12.2
72.99309	1.8
73.02938	2.9
79.39674	1.2
80.91671	3.2
82.43164	1.1
82.79124	1.3
83.01382	1.4
85.02953	4.4
88.69009	1.3
89.02451	6.2
91.50369	1.3
101.02441	7.9
102.15759	1.1
113.02442	7.3
119.03481	1.5
125.09701	1.2
143.03474	2.0
150.25467	1.3
159.03044	1.4
161.04567	10.9
194.33751	1.6
291.19617	10.8
352.63110	1.7
457.53705	1.3
467.30011	3.3
498.93448	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.9
61.98830	100.0
63.76871	0.4
69.38943	1.0
69.39358	2.6
71.01381	1.2
75.00877	0.5
78.95911	2.4
80.96537	0.7
83.94947	0.4
85.02959	0.6
89.02467	0.8
101.02468	0.6
113.02460	0.6
120.01256	1.7
135.03001	0.7
135.04576	1.5
144.83504	0.5
161.02495	2.5
162.02847	1.5
162.09230	0.6
168.58377	0.4
171.00688	1.6
173.04514	0.6
179.03447	1.1
180.03844	0.6
191.05592	0.6
324.07886	0.6
344.75726	0.6
366.16400	1.0
432.03098	0.5
492.32101	0.6
528.18964	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
57.03440	3.3
58.00587	0.9
59.01381	17.7
67.01898	0.6
68.99830	0.7
69.03448	0.6
69.50092	0.6
70.96688	1.1
70.97051	1.1
71.01382	22.3
71.01779	1.1
72.99305	7.3
73.02937	1.9
75.00872	21.1
75.01302	1.0
80.96519	2.0
83.01358	0.8
83.05051	0.7
84.02140	0.5
85.02952	25.6
87.00398	0.9
87.00878	9.5
89.02435	5.9
91.04043	0.6
95.01395	6.4
99.00883	10.8
101.02464	0.8
103.00368	3.6
111.00893	1.0
113.02451	38.6
115.00374	2.2
117.01982	3.2
117.98664	0.6
119.63706	0.5
129.01947	2.3
131.03493	0.8
133.83009	0.6
157.01398	1.1
175.02478	4.7
193.03441	1.0
205.07195	3.4
208.45705	0.7
223.08174	1.1
231.05109	1.0
245.21843	0.5
245.24628	0.6
249.06145	7.6
252.24547	0.7
259.20602	0.8
267.07199	9.9
277.21716	65.3
278.22098	5.1
469.30573	0.6
509.27451	2.8
527.28656	100.0
528.29022	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	526.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54071	0.4
55.94530	0.3
57.45086	0.3
58.83078	0.4
59.01379	3.9
61.98822	0.7
64.07805	0.3
69.81396	0.8
69.81808	0.8
77.59995	0.4
78.95903	100.0
82.22984	0.3
89.02455	0.4
92.55529	0.3
96.96960	23.6
130.37436	0.3
130.99121	0.3
148.39891	0.4
158.06789	0.3
240.02794	4.1
243.19661	0.4
282.03833	51.6
283.04236	1.7
337.02844	0.3
342.05850	0.5
526.24176	20.0
527.24561	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	527.2529
Annotation	chaetoglobosin C
Peak:m/z	Relative Intensity
51.03684	0.3
53.11101	0.3
59.01373	1.1
59.06783	0.3
60.22215	0.3
61.28469	0.4
61.98829	0.7
63.96232	0.7
69.03450	0.4
69.36066	2.3
69.36478	0.7
71.01382	5.9
73.02943	1.5
73.95731	0.4
78.98604	4.1
79.95007	0.4
79.95730	8.3
80.96517	53.5
81.03456	0.8
82.13956	0.4
85.02960	1.8
85.50996	0.4
86.54015	0.3
87.00854	2.2
89.02468	0.4
89.76213	0.4
92.76594	0.4
94.98088	11.9
96.96003	0.5
97.02955	1.3
99.00826	0.4
101.02432	2.3
106.98067	2.5
111.92284	0.4
113.02477	0.4
122.97591	4.0
125.02499	2.4
127.04013	1.0
128.80763	0.4
134.97595	3.7
136.99155	0.6
142.94337	0.4
148.99146	5.6
152.98619	5.6
152.99719	0.8
164.98631	8.9
165.00009	0.5
182.99661	1.6
185.65063	0.4
194.59167	0.4
206.99680	3.5
219.88989	0.4
225.00751	15.3
227.20131	3.7
243.01785	1.6
253.21779	1.2
258.15878	0.4
290.91992	0.4
299.04443	3.0
308.69901	0.4
363.79813	0.4
478.29456	0.6
521.55743	0.5
521.66199	0.5
527.25293	100.0
528.25641	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	527.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37529	0.7
55.01870	1.0
57.03439	3.0
58.00589	1.2
59.01377	13.7
67.01888	1.4
69.03467	0.9
71.01379	16.7
71.53234	1.1
72.99316	6.0
75.00473	1.3
75.00875	20.2
81.03465	0.8
85.02953	21.6
87.00877	8.6
89.02442	3.1
95.01369	5.1
97.23684	0.7
99.00879	11.3
99.75026	0.7
103.00375	2.8
110.50769	0.7
113.02446	29.2
114.02826	0.9
115.00377	2.3
117.01938	3.0
129.01955	1.3
157.01483	1.0
175.02489	5.3
205.07109	1.4
231.04977	3.3
249.06143	24.0
250.06593	1.0
267.07254	3.5
277.21716	77.3
278.22083	5.7
292.30399	0.7
438.14847	0.8
467.26456	1.0
491.02966	0.8
509.27380	2.9
527.28613	100.0
528.28925	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	526.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01809	0.3
61.98830	100.0
62.63858	0.3
63.66476	0.3
69.27991	3.1
71.01390	0.7
78.95901	1.9
84.33433	0.3
85.02971	0.4
92.74328	0.3
93.03482	0.4
96.00950	0.5
96.96021	2.4
96.96967	2.6
104.61949	0.3
105.16694	0.3
128.03540	1.2
130.08720	0.6
141.12337	0.4
165.19652	0.3
173.04576	0.5
191.05673	0.9
222.12575	0.4
231.56793	0.4
397.20901	0.5
526.25092	0.4
527.12085	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	526.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	29.1
61.98827	15.8
69.74942	9.6
71.01385	21.0
72.99313	14.9
73.02934	4.6
75.00876	51.4
83.01421	3.3
85.02949	11.4
85.57718	1.5
87.00866	7.1
89.02445	22.9
90.14057	1.5
96.96002	2.8
98.19960	1.8
99.04579	1.8
101.02443	15.0
103.64750	1.4
111.00858	1.9
113.02435	7.6
115.00416	7.9
116.05067	65.1
119.03515	6.1
128.05046	14.8
130.06635	11.7
131.15210	2.1
135.02998	37.7
142.06566	1.7
154.06592	3.3
156.08205	7.1
157.05313	3.3
158.06111	88.1
159.06445	4.8
161.04549	17.2
162.33321	1.7
166.06557	4.0
170.85017	1.5
172.04071	4.5
174.01706	1.9
175.02473	4.6
179.05638	2.5
182.06145	2.4
184.07672	11.2
191.05652	2.0
200.07266	2.1
210.05600	100.0
211.05878	6.2
219.63361	1.4
221.06721	1.9
226.05103	6.6
246.07642	3.3
320.11252	6.4
364.14066	7.6
390.11853	8.1
406.11514	3.6
408.12967	72.6
409.13205	3.8
488.82095	1.6
501.14987	1.7
526.21155	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	526.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	24.9
61.98830	27.7
70.52612	2.0
70.52937	4.9
71.01385	27.9
72.99321	10.4
75.00873	61.9
76.04671	2.1
78.95904	4.0
79.95734	3.9
79.96210	1.9
82.02993	5.5
83.01386	6.3
85.02960	4.9
87.00880	31.7
87.52351	2.3
89.02454	18.3
93.03461	3.0
95.01472	2.3
96.00923	5.7
96.96001	7.2
96.96954	4.3
97.02978	2.3
97.04048	3.5
98.02477	4.7
99.00887	11.2
101.02424	9.8
111.00909	6.4
111.02000	2.7
113.02455	5.2
113.03598	5.3
114.01958	3.6
114.05624	5.5
115.00374	88.2
116.05063	47.0
117.01923	13.3
119.03530	4.3
124.05183	5.1
125.03564	3.2
127.05087	2.9
128.03543	4.9
128.05045	7.1
130.06592	6.6
130.08743	51.7
135.02997	31.4
138.09186	2.5
139.00404	5.2
142.06552	7.9
146.06084	2.1
147.18385	1.9
155.08302	4.9
156.04387	3.1
156.08157	4.5
157.01399	6.0
158.06117	46.8
161.04587	4.1
165.10344	6.2
166.08737	4.7
167.05777	2.4
168.09117	5.4
170.06104	6.1
173.04497	2.8
174.01747	10.2
175.02470	100.0
176.02739	3.2
179.05754	2.5
184.07666	6.9
185.06779	4.7
188.07170	4.9
191.05641	5.9
196.07512	2.0
199.18156	10.5
200.07202	8.5
209.09317	19.9
210.05589	9.2
212.07047	2.9
221.06744	4.5
225.16118	4.0
226.05104	3.3
228.17110	2.8
243.17130	13.3
252.10045	2.6
260.09137	4.0
261.16089	3.0
268.05988	2.2
269.15076	4.4
279.17108	2.9
323.12469	2.1
323.16122	12.4
340.18823	25.7
357.21466	2.3
364.14163	3.1
376.64835	2.3
383.19360	3.3
406.11362	2.9
408.12967	57.2
409.13367	2.7
465.24759	20.6
466.13354	14.3
466.24042	2.4
482.27365	25.1
483.26038	6.2
508.18390	2.4
508.25092	9.4
509.23639	4.4
521.77869	2.3
526.17786	4.0
526.26465	19.8
527.32465	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	526.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32061	1.9
59.01350	2.9
61.98829	53.6
65.87879	2.0
69.30256	3.0
69.30674	14.7
72.94791	1.9
81.54349	2.0
85.86787	2.0
90.35382	2.1
107.01349	2.1
107.37614	2.0
116.29128	2.1
121.02956	4.2
151.00357	7.7
163.00299	2.5
178.99799	2.8
243.02997	6.9
255.02988	16.6
271.02490	45.9
272.02939	3.1
272.52991	1.9
300.02753	87.5
301.03458	31.8
302.03720	2.2
463.08807	100.0
464.09079	8.3
526.28729	6.9
527.18195	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	525.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12947	0.8
50.94360	0.7
55.01880	1.0
57.03444	1.2
59.01380	100.0
59.62596	0.7
60.01714	1.1
60.69161	0.6
61.98832	8.3
71.01377	18.0
71.05043	0.9
72.99306	0.9
73.02957	3.3
83.01391	1.1
83.81824	0.7
85.02958	5.4
87.00893	1.5
89.02445	9.3
95.01402	3.0
97.02965	0.8
97.06565	0.8
99.00892	4.0
101.02435	8.5
110.50749	0.7
112.89497	0.8
113.02444	16.7
113.03160	1.1
119.02813	0.9
119.03484	4.9
123.08138	0.7
125.09760	1.8
127.72392	0.7
143.03545	1.5
149.04555	0.8
161.04535	4.3
163.11299	3.7
179.05663	2.0
179.10660	0.7
181.12340	14.0
197.11931	1.9
199.13432	1.7
207.10277	5.6
209.11841	1.2
225.11324	13.7
226.11887	0.9
243.12392	4.5
270.03488	0.8
274.85828	0.8
289.18256	2.8
299.15201	2.3
317.16040	3.7
465.28564	8.7
481.27844	4.8
483.29718	8.4
525.26697	6.0
526.27930	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	525.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29531	23.6
59.01381	100.0
61.98819	31.1
71.01687	53.0
103.94267	25.2
147.79741	21.4
218.53705	22.5
221.94832	21.1
353.21301	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2551
Annotation	Murrafoline C
Peak:m/z	Relative Intensity
55.01879	0.8
57.03440	1.1
58.00600	0.6
58.81807	0.7
59.01379	31.8
61.98828	16.7
69.22050	6.0
69.40658	0.6
69.74728	0.6
71.01381	17.1
72.99313	1.4
73.02947	9.1
75.00867	0.8
78.98598	1.0
79.95728	3.3
80.96516	17.6
83.01388	4.3
85.02469	0.6
85.02951	9.8
86.00072	0.5
87.00864	1.5
87.04548	0.8
89.02428	4.2
94.98083	3.7
95.01389	0.8
96.96009	0.7
97.02948	1.1
99.00867	4.2
101.02441	17.9
111.00873	1.1
113.02448	7.2
122.97577	1.2
125.02453	1.9
128.03494	1.1
129.01926	1.2
134.97592	0.7
139.74677	0.7
143.03508	0.8
146.06114	0.9
147.04572	0.6
148.99051	1.4
152.98552	1.3
155.75322	0.6
159.02954	1.0
161.04567	3.4
164.98665	3.0
191.05597	1.2
206.99637	0.7
225.00716	5.2
296.96649	0.7
333.19211	8.6
375.19592	0.7
437.20206	0.9
465.23114	3.3
475.59390	0.6
507.24261	5.0
508.25015	0.8
525.16516	31.0
525.25439	100.0
526.16919	2.5
526.25775	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	525.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69308	1.5
55.90848	1.6
58.00592	3.9
59.01380	83.3
61.98827	22.7
63.14240	1.9
71.01381	66.9
72.99304	3.9
73.02945	6.6
78.95918	5.7
85.02962	9.0
87.00867	4.6
89.02445	100.0
101.02450	46.6
113.02460	13.0
116.89407	1.6
119.03494	7.6
131.03499	32.5
142.20729	2.2
149.04553	89.4
161.04562	3.6
183.41556	1.7
191.05592	22.6
275.65024	2.5
289.18188	2.5
525.27441	5.2
526.27411	3.1
538.95349	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	525.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	19.9
61.98829	7.5
63.04029	1.8
63.73858	2.0
67.57627	1.5
71.01373	6.9
73.02908	1.8
74.20827	1.7
85.02929	2.1
89.02470	4.0
94.10885	1.8
98.20675	4.5
101.02420	5.2
106.02209	1.7
113.02422	2.7
115.58714	1.7
119.03490	2.5
119.08631	2.8
120.99629	1.9
121.17431	1.8
125.97776	1.7
127.84181	1.6
134.45033	1.5
137.09734	9.0
171.10280	37.4
201.11282	9.7
294.48260	1.8
309.20667	4.3
327.21738	100.0
328.22086	6.4
337.53513	2.0
525.23816	8.8
525.31470	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	525.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36496	1.1
59.01379	10.0
61.98834	13.5
71.01376	4.0
71.54402	2.2
78.95899	3.0
80.91743	1.4
80.96487	1.6
82.34383	1.1
83.08313	1.2
85.02956	3.6
89.02455	1.2
95.96967	1.2
97.06622	1.3
97.71419	1.1
101.02402	2.2
113.02473	1.2
171.10258	6.7
183.13823	1.6
211.13411	9.8
214.17828	1.1
229.14445	6.5
249.47359	1.2
291.19742	1.4
327.21759	100.0
328.22089	7.0
525.25513	7.3
526.27570	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	525.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	9.0
61.98831	44.8
69.03452	1.6
69.37368	4.3
69.37793	7.1
71.01388	10.8
72.99317	1.4
75.00893	1.2
78.95910	2.0
78.98580	3.1
79.95746	7.6
80.96519	50.3
85.02964	4.3
87.00872	4.8
89.02433	2.0
93.03458	1.4
94.98088	13.0
96.96011	4.4
101.02416	3.1
106.98100	3.0
108.02140	2.1
113.02429	2.5
114.05598	5.0
119.05084	1.3
122.97552	5.1
125.02432	3.5
127.04081	1.3
133.05276	1.8
134.97607	3.9
136.99139	2.9
138.98689	1.9
148.99113	6.2
149.02487	1.8
149.06013	1.4
150.03220	3.8
152.98633	6.4
153.01938	1.8
161.02412	4.1
162.02702	1.8
163.03967	1.6
164.98619	10.1
165.05492	2.4
182.99684	1.9
183.55461	1.2
191.05571	4.0
206.99750	2.9
207.10217	1.9
223.09789	1.7
225.00726	20.1
225.11380	3.1
234.98071	1.3
251.72743	1.1
294.23547	1.5
299.04361	2.3
310.10873	3.4
311.11166	5.8
329.11993	1.4
453.83478	1.9
459.16299	2.1
525.16412	100.0
525.23944	6.3
526.16461	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	524.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.7
61.98831	100.0
64.07440	0.3
71.01399	0.9
71.54411	0.5
71.54745	0.3
89.02445	0.4
101.02464	0.4
113.02515	0.5
120.99660	0.6
121.34679	0.3
327.21854	1.6
403.22263	0.2
525.30719	0.6
542.02875	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08526	0.4
57.83380	0.4
59.01390	0.8
61.98830	100.0
67.54476	0.5
71.00986	0.4
71.01366	1.5
76.94094	0.4
92.02508	0.4
96.96020	0.5
135.04573	0.6
156.41141	0.5
221.25383	0.5
273.03781	0.5
328.08170	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01341	0.6
61.98831	100.0
65.03030	0.5
69.42744	3.8
69.43150	1.3
73.22653	0.6
85.47813	0.8
88.10404	0.5
91.15599	0.6
151.00430	1.0
154.18906	0.6
240.21864	0.5
244.48341	0.5
393.18781	0.7
399.12952	0.6
463.08041	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.9
57.03440	3.6
57.05072	0.7
58.00573	1.0
59.01380	46.4
59.98508	1.1
61.52329	0.7
68.99847	0.7
69.03453	2.4
69.96509	3.4
71.01385	38.8
71.05011	0.8
72.99309	3.3
73.02954	8.1
79.84983	0.8
83.01389	6.9
85.02953	23.5
86.00159	0.9
87.00900	4.8
89.02431	5.2
95.01397	4.9
96.96040	1.0
97.02944	2.2
99.00296	1.0
99.00858	5.1
99.04523	2.2
101.02461	11.4
112.01684	1.5
113.01700	0.7
113.02450	16.6
124.01658	1.0
125.02452	1.2
142.02718	1.7
143.03508	3.6
152.99579	0.8
161.04459	1.1
163.05649	0.9
225.11449	0.9
289.71970	1.0
295.22726	1.4
301.21692	4.7
303.23306	19.4
304.23602	1.6
315.51965	0.8
319.22778	7.4
320.23141	1.3
331.23300	0.9
463.27017	89.8
464.27271	9.6
474.26028	1.1
481.28073	56.6
482.28568	6.7
523.29132	100.0
524.29474	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	523.291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.1
57.03448	4.9
57.26339	0.6
59.01377	44.7
61.98835	1.6
68.99818	0.7
69.03448	2.4
71.01380	34.8
72.60721	0.6
72.98563	0.7
72.99298	4.6
73.02951	9.2
78.95900	2.0
83.01385	8.7
85.02950	24.9
87.00877	1.5
89.02432	2.5
95.01383	4.6
97.02948	1.6
99.00891	3.7
101.02439	11.7
113.02447	16.6
118.67719	0.7
119.03480	1.2
124.01698	0.8
132.97552	0.7
134.34727	0.7
142.02702	1.1
143.03496	1.6
152.99562	1.2
161.04533	1.9
171.10246	1.5
277.21661	1.4
295.22675	2.2
301.21753	2.7
303.23276	15.3
304.23672	1.3
319.22748	4.3
387.21527	0.7
463.26984	44.9
464.27374	4.6
481.28030	42.3
482.28253	4.6
523.29126	100.0
524.29510	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	523.291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.3
57.03448	1.6
58.00591	0.6
59.01380	40.1
59.98539	0.3
60.01715	0.3
61.98843	0.3
66.09505	0.3
68.61631	0.2
69.03454	0.8
69.50494	1.0
69.50899	0.6
71.01382	18.8
72.69860	0.2
72.99308	1.0
73.02947	9.0
78.95918	0.9
81.03452	0.2
83.01390	3.7
84.02171	0.3
85.02949	9.5
85.06676	0.2
86.00103	0.6
87.00876	1.2
89.02450	2.5
95.01393	1.8
97.02911	0.3
98.20664	0.5
99.00883	2.5
99.04522	0.3
101.02448	10.3
103.08920	0.2
113.02459	6.9
119.03490	1.0
120.66862	0.2
125.02485	0.8
129.01981	0.4
130.72827	0.3
131.03500	0.4
143.03523	0.8
152.99539	1.2
159.03012	0.7
161.04578	2.7
171.10309	0.6
175.08841	0.2
194.08266	0.2
194.59634	0.2
195.13948	0.4
203.07014	0.2
277.21753	0.7
293.21136	0.3
295.22733	3.1
298.96115	0.3
301.21707	1.2
303.23273	13.8
304.23553	1.2
319.22589	1.2
380.17148	0.3
463.27005	3.6
464.27292	0.3
481.28036	8.5
481.34970	0.4
482.28201	1.2
523.29102	100.0
524.29449	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	523.2914
Annotation	Carthamosterone B
Peak:m/z	Relative Intensity
52.44963	0.4
55.01878	2.3
57.03448	3.3
58.00594	0.8
59.01379	39.6
59.98510	0.7
62.44717	0.5
64.92794	0.4
66.94709	0.4
68.99797	0.6
69.03452	2.4
70.79291	0.8
71.01379	27.6
72.99308	3.5
73.02565	0.5
73.02945	8.3
75.00842	0.7
83.01380	4.7
85.02949	17.2
86.00066	0.8
87.00855	1.4
89.02451	3.5
92.60297	0.4
95.01382	3.7
97.02934	1.0
99.00887	3.5
99.04514	1.3
101.02441	11.8
106.19239	0.5
112.01624	0.7
113.02448	11.6
119.03459	1.4
124.01676	0.7
124.12934	0.4
125.02393	0.9
129.01918	0.8
142.02654	1.2
143.03441	1.5
159.03030	0.4
161.04498	1.2
172.44981	0.4
206.26021	0.5
262.19708	0.4
273.08777	0.5
285.93179	0.4
301.21686	3.1
303.23297	16.6
304.23523	1.2
319.22681	6.0
333.78510	0.5
463.26996	44.4
464.27533	4.3
481.28033	37.5
482.28320	5.0
523.29169	100.0
524.29431	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	523.2911
Annotation	Carthamosterone B
Peak:m/z	Relative Intensity
55.01883	1.5
57.03452	1.7
58.00588	0.7
59.01381	35.9
59.98531	0.4
61.19382	0.3
69.03463	1.3
70.92944	0.6
71.01382	18.4
71.05011	0.4
72.99305	0.8
73.02945	8.2
75.00869	0.3
78.95918	0.5
83.01387	3.2
85.02954	9.0
87.00879	1.6
88.45557	0.3
89.02447	3.2
95.01390	1.8
97.02966	0.5
99.00880	2.5
99.04536	0.9
101.02446	9.7
111.00861	0.3
113.02453	6.5
114.02792	0.3
119.03524	0.6
125.02396	0.4
129.01953	0.6
143.03464	0.5
152.99565	0.4
159.02940	0.4
161.04550	1.0
171.10277	0.3
184.09848	0.3
240.16588	0.2
249.18568	1.4
277.21802	0.4
289.92020	0.3
295.22842	1.7
296.58286	0.3
301.21790	1.8
303.23276	16.6
304.23624	1.1
313.27277	0.3
319.22742	3.7
320.23196	0.3
417.19620	0.3
463.26941	6.4
464.27536	1.0
481.28076	14.0
482.28348	1.3
523.29095	100.0
524.29431	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	523.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.6
57.03437	1.5
58.00584	0.7
59.01381	36.6
69.03444	1.1
71.01384	17.6
72.99294	1.3
73.02949	7.5
83.01392	3.7
85.02952	8.8
87.00879	1.7
87.29410	0.3
89.02447	3.1
95.01376	2.0
97.02911	0.5
98.20676	0.6
99.00889	2.8
99.04527	0.6
101.01794	0.6
101.02454	10.8
111.00957	0.4
113.02447	6.0
119.03502	0.7
125.02482	0.4
129.01918	0.6
137.91922	0.3
143.03525	0.5
159.03004	0.3
161.04587	2.0
164.72807	0.3
202.26196	0.4
229.48273	0.4
301.21588	1.0
303.19754	0.7
303.23279	14.3
304.23532	1.2
319.22681	2.5
463.27063	5.3
464.27496	0.9
481.28073	11.4
482.28229	1.3
505.28195	0.4
523.29102	100.0
524.29413	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	523.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.7
59.01376	5.9
69.39352	0.5
70.67457	0.4
71.01402	0.5
78.95902	10.3
78.96322	0.8
83.04561	0.4
89.02457	0.7
96.85954	0.4
96.96990	0.5
98.20409	3.2
113.09739	2.2
140.02760	1.3
147.02867	0.5
152.99585	13.0
171.00665	1.7
179.14423	1.4
181.12277	0.8
183.10309	0.7
195.12076	1.0
195.13879	18.6
196.14220	0.5
196.93407	0.6
197.04871	1.1
227.03307	0.9
245.04311	2.2
249.18582	3.2
277.21707	18.3
278.22202	0.8
295.22772	100.0
296.23074	6.5
312.50702	0.5
474.26105	1.7
479.10419	0.7
481.28488	0.6
492.05627	0.6
523.09949	4.3
523.26746	50.4
524.27203	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	523.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62490	1.7
52.18360	1.7
54.10210	1.8
55.72369	1.7
56.61891	1.9
57.03445	2.1
59.01381	20.6
61.98827	17.8
71.01390	34.3
71.54330	3.4
73.02943	14.2
75.00873	4.0
83.01409	2.5
85.02938	17.1
87.00877	2.4
87.09943	1.7
89.02450	11.6
95.01383	3.0
99.00893	10.1
99.04549	2.1
101.02447	30.0
102.05595	2.1
109.02985	2.7
113.02464	15.1
118.05312	1.8
119.03485	2.3
125.02437	4.0
125.77773	1.8
128.03551	2.8
137.04794	1.8
143.03496	4.3
155.10773	7.8
156.92123	1.8
161.04546	17.3
173.04552	2.3
191.05624	3.5
199.09789	9.2
210.88506	2.0
233.06564	2.4
331.17615	23.6
349.18607	3.3
463.21814	100.0
464.22180	9.9
470.78891	2.5
513.79999	2.0
523.25452	11.5
524.25171	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	523.2189
Annotation	Mascaroside
Peak:m/z	Relative Intensity
55.01907	2.4
57.03464	1.3
58.00616	1.2
59.01380	25.5
61.13666	0.6
61.98824	5.7
69.03479	0.9
69.86626	1.1
69.87044	2.0
71.01383	20.6
72.99339	2.4
73.02948	4.0
74.92946	0.5
74.99139	1.1
81.11572	0.5
82.76638	0.6
83.01376	3.8
85.02950	8.7
86.00124	0.9
87.00915	2.4
88.98839	0.9
89.02449	8.0
89.02928	0.6
93.03502	1.7
95.01424	2.7
96.66103	0.6
96.96017	3.3
99.00922	1.4
101.02442	15.7
107.14427	0.6
108.02225	1.6
109.02957	7.3
109.03570	0.6
109.19079	0.6
111.00829	0.8
113.02467	7.9
115.30360	0.5
115.49310	0.6
119.03542	3.5
119.05069	1.0
121.02950	13.1
122.03755	12.2
122.04645	0.7
123.04580	2.7
124.01701	1.3
125.02451	0.6
126.60622	0.7
129.03458	0.6
133.05373	1.9
134.03784	1.3
135.04526	3.4
136.01758	0.6
136.05342	1.4
136.99168	1.9
137.02451	3.3
138.62967	0.9
143.03578	0.7
147.04523	8.3
149.06151	1.7
150.03276	1.7
153.01909	4.9
154.02769	2.2
155.10814	0.7
159.03024	0.9
161.02489	2.2
161.04678	1.1
161.06129	2.1
162.06898	0.9
165.05568	27.5
166.05980	1.0
171.10300	0.6
173.04631	0.9
173.06091	0.7
175.04059	0.7
175.07742	0.9
179.07112	8.6
184.62311	0.6
191.05637	3.8
191.07176	1.4
198.68362	0.6
199.09731	0.8
209.08276	1.6
223.09825	0.8
298.12173	1.7
301.10703	0.8
310.10831	2.9
313.10995	0.8
313.14459	2.2
315.12457	2.2
316.13116	0.8
328.13028	2.4
329.13907	0.8
331.11984	1.0
343.15451	5.1
346.14252	8.9
347.14807	2.2
361.16553	97.0
362.16922	9.0
369.04993	1.4
458.16098	1.0
459.81653	0.7
463.21893	1.4
523.07880	3.2
523.21832	100.0
524.08551	0.8
524.22137	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	523.2183
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.23020	0.4
59.01371	1.0
61.98836	2.2
63.04940	0.4
67.89086	0.4
71.01374	1.8
71.09283	0.5
71.54278	0.5
76.92575	0.4
78.35951	0.4
84.81963	0.4
85.02950	1.1
86.75604	0.4
89.02439	0.7
93.03458	1.5
96.95983	0.4
97.54023	0.5
101.02442	1.0
106.47589	0.4
108.02156	1.0
109.02944	3.7
113.02448	0.6
121.02956	12.3
122.03743	11.0
123.04525	1.5
124.01659	0.6
129.03465	0.5
134.03780	0.9
135.04509	1.2
136.01578	0.6
136.05301	1.3
137.02446	1.7
146.03749	1.0
147.04518	6.5
148.05255	0.6
149.06076	1.2
150.03268	0.5
153.01962	0.4
154.02704	1.3
155.10764	1.3
161.04723	0.4
161.06078	2.3
164.04813	0.6
165.05569	23.0
166.05914	0.7
178.06377	0.8
179.05556	0.5
179.07123	8.7
180.07507	0.5
191.05548	0.6
191.07152	1.1
199.09744	2.0
209.08182	0.9
211.35316	0.4
214.62415	0.5
223.09782	1.1
243.61214	0.4
298.12082	0.6
313.14426	0.8
315.12448	2.2
316.13028	0.5
331.14990	0.5
346.14191	9.1
347.14587	0.9
361.16553	100.0
362.16885	8.3
463.21909	0.7
523.20721	1.0
523.28058	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1768
Annotation	Xanthorrone
Peak:m/z	Relative Intensity
61.98843	1.0
68.88186	1.0
71.01363	1.1
72.75530	1.1
77.65240	0.9
78.95905	78.8
95.23621	1.2
99.92588	18.5
100.93352	2.3
102.88136	1.1
110.98534	14.3
115.92089	31.0
116.92086	2.1
116.92863	17.1
117.92757	1.2
120.13885	1.1
130.94380	1.0
150.98038	2.2
155.95209	1.7
163.89717	1.2
164.99583	2.4
167.01222	1.2
178.88435	20.2
179.89226	35.2
180.90033	10.1
181.90839	2.4
193.90765	45.5
194.87907	2.2
194.91592	26.0
196.89482	49.4
197.89636	1.4
219.92329	1.7
236.92548	2.1
248.92641	3.2
249.93333	4.3
255.23329	5.6
266.93719	4.5
282.33032	1.1
295.26248	1.4
314.26416	1.0
355.15561	2.2
371.15271	2.2
411.18506	7.7
475.15942	1.9
505.16501	2.9
523.17731	100.0
524.17926	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	521.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07723	12.3
57.37118	10.3
59.01364	55.0
60.49168	11.0
61.98813	35.9
65.91512	11.8
70.94651	21.5
70.94983	14.4
72.02626	10.9
75.08533	12.1
78.95901	35.9
90.23702	12.8
98.20367	14.8
101.10149	11.3
134.03839	11.6
152.99561	30.8
183.13925	23.3
202.15439	13.2
215.12744	15.4
224.59282	11.5
293.21152	100.0
298.53922	12.3
335.25903	11.9
453.31421	13.8
468.56567	15.4
521.24384	55.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	13.6
61.98828	14.2
66.96294	1.3
69.53384	9.6
71.01391	7.2
85.02959	11.3
87.00876	1.8
89.02441	8.0
93.03459	1.9
96.96001	2.6
101.02437	2.0
113.02453	3.2
113.78062	1.3
116.83361	1.5
116.92861	3.1
117.03442	1.5
119.03603	3.0
119.05021	62.0
127.04099	1.6
137.06104	4.4
145.02928	5.2
145.61143	1.3
161.04564	1.7
163.04001	100.0
164.04378	5.0
173.04582	1.8
178.99850	4.2
179.05635	5.6
191.05579	22.1
207.10277	5.8
227.03603	1.6
268.96490	1.4
283.15546	11.2
299.01846	2.7
325.09274	39.2
326.09421	1.4
341.03229	2.7
343.00845	1.7
348.51300	1.5
361.01840	3.1
391.89673	1.3
398.26782	1.6
523.11938	3.2
523.25372	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	521.2576
Annotation	Okaramine N
Peak:m/z	Relative Intensity
59.01374	0.7
61.98832	1.9
78.95896	2.2
78.96291	0.3
79.95737	2.5
84.73388	0.2
96.96009	100.0
97.95986	0.3
135.82152	0.3
136.01872	0.2
142.01552	0.2
152.99580	2.4
161.02486	0.3
171.00659	0.3
171.22975	0.2
215.15359	0.2
227.03352	0.3
232.31242	0.2
235.17023	1.9
275.20120	1.7
293.21219	7.0
294.21658	0.4
431.39835	0.3
521.25714	48.2
522.26007	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	521.252
Annotation	Cognatine
Peak:m/z	Relative Intensity
54.67261	0.8
56.37405	0.7
57.03436	2.8
59.01371	3.3
61.98823	6.2
71.09505	1.2
71.09823	0.9
78.95905	15.7
90.73707	0.8
96.96007	5.5
96.96979	1.8
98.20061	1.0
98.73148	0.8
103.11428	0.7
113.09727	12.8
121.10203	1.4
133.02927	1.0
135.04507	1.9
135.11703	0.9
137.30257	0.8
139.11232	0.9
152.99585	23.1
161.02437	3.1
167.10760	1.9
171.00650	3.1
171.10291	5.0
179.10765	1.5
183.13857	2.3
195.13890	3.1
227.03221	2.4
231.20966	1.0
235.16983	2.4
245.04230	2.4
248.15616	0.8
249.22243	1.3
275.20151	12.2
293.21228	100.0
294.21542	6.0
470.78702	1.0
521.25220	48.6
522.25769	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	521.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	1.1
58.00587	3.5
59.01381	100.0
60.01696	1.3
61.98822	10.5
63.97952	1.0
69.08294	1.0
69.24429	2.9
69.24834	7.8
71.01384	67.6
72.99308	5.8
73.02931	3.4
83.01391	1.8
85.02953	13.7
85.26974	1.0
87.00876	4.1
89.02448	85.0
95.01379	5.3
99.00858	1.5
101.02444	37.9
102.02864	0.9
108.02145	2.6
109.02950	3.2
113.02457	27.6
119.03510	37.6
121.02938	3.0
122.03732	2.1
123.04507	2.3
125.02390	1.4
129.01968	1.5
130.08748	2.0
131.03482	6.2
143.03517	8.8
149.04564	3.3
159.04478	3.8
160.05292	8.1
161.04541	5.9
161.06020	2.5
163.00526	1.8
166.08739	1.3
172.05258	3.1
173.06039	3.2
175.07619	3.0
179.05626	16.6
187.07623	2.5
189.05565	7.8
190.06416	7.0
191.05727	1.6
205.08740	7.2
225.11160	1.3
230.97453	1.2
241.05090	1.3
279.44626	1.1
281.08112	2.8
296.10489	4.0
311.12875	5.8
313.03525	5.9
329.13831	2.8
341.13904	30.7
342.14102	1.7
373.18839	1.7
510.88052	1.3
521.19641	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	521.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51506	0.4
59.01370	2.2
61.98821	0.7
69.46003	3.6
71.01389	3.1
72.60778	0.5
78.98203	0.5
85.02953	1.5
87.00853	0.8
89.02457	2.0
93.03469	0.7
96.00917	1.2
96.96011	1.9
98.02502	0.5
99.58623	0.5
101.02445	1.4
105.10555	0.5
108.02170	1.3
109.02972	2.2
111.00867	0.8
113.02466	1.5
121.02930	3.0
122.03730	1.3
123.00843	0.9
130.08742	0.5
135.04530	0.7
136.05254	1.3
138.03186	0.7
143.04997	0.6
144.07782	0.9
147.04485	2.4
149.02415	1.7
150.03227	4.8
151.03954	0.6
153.01942	4.2
153.05612	0.7
158.02577	0.6
158.03676	2.7
159.04517	7.8
160.05298	24.6
161.04639	1.0
161.06056	7.4
163.03992	4.6
164.04782	4.3
164.07047	1.1
173.06058	2.7
174.06911	0.5
175.07634	24.8
176.07967	0.8
177.05531	6.0
178.06345	7.8
179.03481	0.6
179.06915	0.6
180.10324	0.5
192.07925	1.3
193.08632	2.4
197.08209	0.7
200.86290	0.5
222.12785	0.6
314.11557	0.9
329.13922	100.0
330.14218	8.2
332.65863	0.5
342.09656	0.6
358.14969	1.1
359.15100	3.5
367.03201	1.2
388.18762	2.9
503.22943	1.5
521.05890	1.5
521.22333	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2027
Annotation	(2S,3R)-Dihydrodehydrodiconiferyl alcohol beta-D-glucoside
Peak:m/z	Relative Intensity
59.01378	14.5
61.98817	9.1
69.39604	17.5
69.39928	3.2
71.01401	9.6
74.02454	2.2
85.02964	5.1
89.02438	5.5
96.95985	3.8
101.02441	6.9
109.02937	3.2
113.02464	4.1
119.04985	2.2
128.03542	2.1
143.25946	2.1
145.02945	4.9
146.03705	2.6
147.04492	4.0
148.05354	3.6
153.01938	2.1
153.09161	4.5
158.03775	2.2
160.05296	6.6
161.06078	10.7
162.03195	3.8
162.06752	2.9
163.03998	6.6
172.05301	52.0
173.05943	4.7
174.03287	4.5
175.03918	4.1
175.07617	7.8
177.05553	6.2
178.06360	5.9
180.04268	3.4
187.07637	50.1
189.05650	3.0
190.06340	19.8
191.05565	2.8
191.07111	9.2
193.05133	3.7
204.07860	2.1
205.08737	10.4
207.06721	4.1
210.05312	2.7
234.87659	2.2
257.48325	2.2
293.08182	3.8
296.10352	3.6
299.12845	3.0
308.10529	2.9
311.09399	2.3
311.12778	5.7
323.12772	6.4
329.13858	23.4
341.13947	51.2
342.14212	4.5
344.12466	4.7
359.15018	100.0
360.15268	8.8
521.12817	4.2
521.20911	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	520.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	2.7
59.45832	1.0
61.98829	100.0
70.81814	2.3
78.95897	4.0
96.96008	6.1
98.20560	1.0
152.99567	2.7
168.04239	1.3
171.10291	5.3
195.13855	2.2
277.21780	7.5
293.21313	2.2
295.22787	24.5
295.57733	0.9
296.22946	1.6
457.28098	12.2
458.28284	1.0
520.23236	1.2
520.30310	7.1
521.25250	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	520.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
59.66122	0.3
62.96390	0.2
70.28710	1.0
78.95905	68.7
93.03448	0.2
96.96964	6.3
98.20532	0.4
101.86267	0.2
106.40082	0.3
110.58298	0.3
133.46541	0.3
150.98007	1.9
152.99583	100.0
153.99951	1.3
171.00627	2.9
279.23288	2.6
406.51968	0.3
433.23581	41.4
434.23840	3.5
520.26727	4.0
521.27356	0.4
522.65198	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98814	0.3
62.96396	0.3
69.22374	2.5
69.22730	0.4
78.95904	48.7
79.03984	0.3
90.91325	0.2
96.96959	5.6
150.98027	1.8
152.76659	0.2
152.99583	100.0
153.99925	1.2
171.00641	4.8
226.91270	0.3
273.12210	0.3
279.23303	1.6
417.90121	0.3
433.23587	23.0
434.23892	2.1
490.86359	0.3
520.26837	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	520.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.3
62.96390	0.3
71.31299	0.5
74.46416	0.3
76.73487	0.2
78.67805	0.2
78.95905	48.0
96.96964	5.9
118.95387	0.2
150.97987	1.2
152.99594	100.0
153.99918	1.2
171.00655	3.7
279.23297	1.1
280.20676	0.3
357.49091	0.3
433.23572	21.5
434.23874	1.7
489.49884	0.3
520.26752	3.7
521.27423	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50950	10.7
59.01368	42.9
61.07854	10.6
61.98828	100.0
64.95583	11.7
71.01371	30.5
71.52217	16.1
85.02956	23.4
90.08967	11.2
90.23344	10.5
98.20226	11.6
101.02436	30.5
107.34581	11.4
119.02506	11.8
173.04639	11.3
253.09203	16.0
254.96709	12.0
283.19250	28.3
519.26062	23.2
519.32349	27.8
520.31342	36.9
530.68628	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	519.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.4
61.98839	2.9
66.93761	0.4
71.54080	0.5
78.95903	56.1
87.66422	0.4
96.96964	6.3
110.98489	0.5
150.98042	1.5
152.99585	100.0
153.99965	2.6
167.01044	0.4
171.00645	3.6
178.38177	0.4
222.63594	0.3
226.07848	0.4
240.27042	0.4
291.86588	0.4
303.86359	0.3
333.24438	3.3
351.25439	3.0
360.57864	0.4
431.21774	0.6
432.22388	3.5
519.27271	12.9
520.27692	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2078
Annotation	Suspensolide E
Peak:m/z	Relative Intensity
53.67513	0.6
55.01852	1.5
55.56776	0.7
57.03429	3.9
58.00559	0.8
59.01375	45.3
61.98821	7.6
62.69575	0.7
68.99803	0.7
69.03428	1.0
69.70543	3.2
71.01379	28.4
71.01770	1.6
72.99304	4.6
73.02945	6.3
75.00485	1.1
75.00869	14.6
75.42387	0.7
83.01347	2.4
83.04971	0.8
85.02949	26.9
87.00871	8.1
88.98792	1.2
89.01952	0.8
89.02434	12.3
91.03938	0.9
93.03416	1.6
95.01379	5.2
97.06589	0.7
99.00299	0.7
99.00868	11.6
99.04470	1.9
101.02435	6.7
103.00351	3.3
110.04073	0.7
111.00829	1.6
112.01576	0.7
113.02445	31.8
114.02711	0.9
115.00301	2.0
117.01878	2.4
119.03465	1.4
120.01233	3.6
125.02409	1.0
128.03488	1.4
129.01842	1.9
131.03490	1.2
136.01527	0.8
149.04449	2.2
151.03922	0.8
157.01341	1.1
161.04465	1.7
165.12848	5.2
173.04445	1.3
175.02341	3.0
175.03738	0.8
189.12733	1.4
191.05528	1.7
195.13762	0.8
205.07037	2.3
207.04977	1.2
207.13737	3.1
209.11858	4.1
223.08124	0.9
225.14771	1.7
231.04987	1.2
249.06113	18.2
250.06331	0.9
251.12895	1.4
267.07175	24.5
268.07321	1.0
269.14020	3.8
291.06924	1.0
309.08267	14.0
310.08688	0.7
343.17474	1.7
387.20248	6.5
483.18390	0.9
501.19684	15.2
502.19757	1.3
519.20398	100.0
519.32611	8.9
520.20947	10.8
520.32990	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	3.0
59.01380	42.3
61.98830	5.7
67.01865	2.5
68.99806	1.0
71.01382	19.7
72.99309	4.1
73.02944	2.4
75.00871	13.8
83.01366	1.5
83.05042	1.7
85.02953	17.0
87.00877	8.0
89.02436	7.7
93.03448	4.7
95.01379	4.1
99.00865	7.9
99.04509	1.4
101.02424	3.5
111.00844	1.1
111.04548	1.4
111.28622	1.0
113.02456	19.5
117.01942	2.4
119.03498	1.6
129.01913	1.2
143.03496	1.5
145.09918	1.2
165.12802	4.8
173.04535	4.1
175.02469	1.7
189.12909	1.3
191.05591	4.5
205.07112	1.4
207.13863	2.4
209.11774	5.2
221.16516	1.4
231.05112	2.3
249.06137	28.5
251.12900	1.3
267.07217	13.5
269.13943	3.6
309.08228	7.8
325.16403	1.2
343.17841	1.4
404.11298	1.2
501.19769	9.0
502.19855	1.7
519.20898	100.0
520.21051	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	518.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
59.25388	0.2
62.96393	0.2
70.85109	0.4
70.85445	0.3
78.95903	49.4
80.22715	0.2
85.66564	0.2
96.96967	6.9
98.50711	0.2
99.94875	0.2
128.75716	0.2
146.19617	0.2
150.98012	2.0
152.99583	100.0
153.99925	1.2
171.00633	4.5
277.21719	0.6
333.24326	0.7
351.25360	0.2
404.47794	0.2
431.22006	19.2
432.22287	2.0
518.25299	2.8
519.25586	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06129	0.3
52.13089	0.4
61.98825	1.0
70.97135	1.0
78.95904	68.4
87.34184	0.4
88.98558	0.4
96.96959	5.4
150.98010	1.5
152.99580	100.0
153.99908	1.2
171.00647	2.9
173.54552	0.4
201.91196	0.4
207.36348	0.4
277.21701	1.5
406.17871	0.4
431.21994	40.9
432.22369	3.6
518.25281	3.3
519.26086	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1871
Annotation	(-)-Pinoresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
58.00608	0.7
59.01381	5.0
61.98829	3.2
69.51769	3.5
71.01368	5.9
73.02942	1.1
75.00877	0.8
85.02962	3.4
88.98804	1.1
89.02455	2.8
93.03466	1.8
101.02429	4.4
108.02193	1.3
113.02435	2.6
118.64512	0.7
121.02951	4.8
122.03752	3.3
127.28733	0.8
128.03537	0.7
134.03677	0.8
135.04478	1.0
136.01668	77.9
137.02498	1.8
151.04010	100.0
152.04352	3.1
155.28186	0.8
159.04469	0.9
160.05260	2.6
161.04561	3.1
162.03329	1.3
163.04024	1.4
163.06160	1.0
173.04546	0.8
175.07552	0.8
176.04860	0.7
177.05540	0.9
273.21744	0.7
342.10962	4.4
357.13425	89.0
358.13815	6.9
519.20776	1.4
519.32153	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3168
Annotation	Ganolucidic acid C
Peak:m/z	Relative Intensity
59.01384	4.0
61.98832	3.9
71.01381	2.8
71.95333	0.3
72.99294	0.3
73.02941	1.2
75.00878	3.1
83.01349	0.4
84.74390	0.3
85.02934	0.7
89.02449	1.3
101.02431	1.5
106.34566	0.3
113.02439	0.8
119.03535	0.4
141.38872	0.3
148.97940	0.3
154.55649	0.3
157.12950	0.3
160.18874	0.3
161.04527	0.4
163.93475	0.3
174.82826	0.3
175.11328	0.5
177.36333	0.3
181.12367	0.4
207.10313	0.4
223.13492	0.6
225.11214	0.6
226.38724	0.3
229.56709	0.4
236.62038	0.3
243.12375	0.6
253.09315	0.4
281.17575	1.1
314.01086	0.4
319.46417	0.4
355.24951	0.4
397.42535	0.4
425.26935	5.5
426.27185	0.7
437.30667	6.2
438.31226	0.5
441.30087	6.9
442.30231	0.7
453.30191	1.6
455.31653	1.1
457.25220	0.4
469.29691	2.0
470.29584	0.4
471.31033	1.2
473.23550	0.8
481.29697	0.9
485.29443	0.6
499.30804	12.1
500.31100	1.4
517.31659	100.0
518.31982	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	516.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.8
59.97426	0.3
61.98831	100.0
71.01424	0.4
71.53021	0.4
103.69444	0.4
111.57027	0.3
172.69498	0.3
208.32603	0.3
463.17810	0.4
463.24817	0.4
512.92188	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90850	1.0
55.01862	1.8
56.27724	1.1
57.03429	4.1
58.00575	2.7
59.01379	90.5
61.98830	52.2
62.39542	1.0
63.80850	1.1
63.96228	1.9
71.01381	69.9
71.54435	1.7
71.58023	1.1
71.99025	1.0
72.21870	1.1
72.99300	5.9
72.99904	3.6
73.02948	11.6
74.00692	4.4
75.00851	3.3
79.34523	1.0
82.16776	0.9
83.01373	4.3
83.05015	1.1
83.26798	1.1
83.89970	1.0
85.02948	17.3
87.00870	5.4
87.04532	1.6
89.02444	63.6
93.03449	1.0
95.01368	5.8
96.95966	1.6
96.96927	1.1
97.06567	4.7
97.14481	1.0
97.44180	1.1
99.00854	3.3
101.02444	42.2
102.02711	1.9
109.06557	1.6
111.00864	4.1
113.01725	1.8
113.02452	27.4
119.03506	29.4
123.08150	1.3
125.02462	1.3
125.09736	1.2
128.03505	1.5
131.03456	3.8
134.99954	7.7
143.03487	4.5
149.04526	3.9
153.09143	3.3
159.02905	1.8
161.04547	8.5
171.10225	1.1
179.05634	11.0
180.64891	1.1
191.05585	2.1
267.07095	2.2
281.17581	1.8
355.24792	6.2
399.23904	1.3
401.21619	2.4
441.30066	2.1
457.23190	1.8
471.31119	14.2
473.32626	4.7
499.29398	6.7
517.22693	8.7
517.30518	100.0
518.23450	3.3
518.30804	11.2
525.36987	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	516.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43147	0.1
56.46390	0.2
59.01375	0.4
61.98829	100.0
66.93707	0.1
69.33530	0.8
69.33940	0.4
71.01385	0.2
76.23232	0.1
83.36570	0.1
85.02980	0.2
93.64159	0.1
101.02436	0.2
115.32796	0.1
121.00665	0.1
175.31323	0.1
316.75897	0.1
324.99799	0.1
393.40515	0.2
402.51828	0.2
516.28815	0.2
517.30414	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56527	0.2
59.01369	1.1
61.46847	0.2
61.98832	100.0
69.25909	1.5
71.01383	0.6
73.02951	0.2
89.02467	0.4
98.19952	0.4
101.02480	0.5
113.02459	0.3
122.63136	0.2
315.71075	0.2
366.21487	0.2
457.24509	0.3
516.28772	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98806	0.5
69.21443	1.7
69.21870	1.4
78.95883	0.5
79.71246	0.3
106.04228	0.8
107.05025	1.0
113.41138	0.4
119.05007	0.4
152.99556	0.5
163.11292	34.1
164.11649	1.6
175.11307	1.9
176.12070	1.0
177.09215	0.6
177.12862	3.8
190.10043	0.9
201.12877	0.5
207.10249	0.5
208.11052	3.6
267.13937	0.6
279.23279	4.2
281.15436	1.9
282.16232	4.1
283.17007	6.2
284.17441	0.6
293.15488	1.3
294.15933	0.5
295.17105	0.6
314.14948	0.4
336.20865	0.4
339.23257	100.0
340.19589	0.7
340.23630	9.6
351.23242	6.8
352.23511	0.5
425.36353	0.4
515.35303	75.1
516.35657	11.3
516.41565	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80653	0.3
58.13414	0.3
59.01377	5.5
64.55122	0.3
71.01380	4.1
71.54243	0.5
73.02961	0.6
78.95904	4.6
83.01404	0.3
85.02944	0.8
87.00877	0.6
89.02440	3.6
96.36326	0.3
96.96935	0.6
101.02451	3.7
101.14655	0.4
113.02454	1.6
119.03503	1.1
135.46870	0.3
136.80898	0.3
143.03477	0.5
152.99586	8.1
161.04507	1.0
161.22018	0.3
169.80429	0.3
171.00659	0.5
179.05550	0.3
233.43195	0.3
235.08278	1.2
253.09280	14.0
254.09625	0.7
279.23279	100.0
280.23642	7.8
295.87143	0.3
340.86804	0.3
369.78244	0.3
433.23657	1.4
527.15186	0.4
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
55.01873	0.2
57.03453	0.2
57.19525	0.1
59.01380	4.7
62.26154	0.1
69.03440	0.1
71.01382	3.4
73.02952	0.8
75.00871	0.8
78.95914	0.5
83.01398	0.5
85.02966	0.9
87.00890	0.6
89.02443	3.2
92.05672	0.1
95.01389	0.4
97.02943	0.2
98.20678	0.3
99.00893	0.2
101.02445	3.7
113.02452	1.4
119.03489	0.8
128.64604	0.1
133.05013	0.2
143.03470	0.3
152.99576	1.1
161.04533	1.3
179.05612	0.6
235.08247	0.9
253.09283	13.7
254.09587	0.6
261.22122	0.3
277.21695	0.3
279.23279	100.0
280.23630	7.2
308.63452	0.2
433.23840	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.2
61.98833	1.6
67.01889	2.2
71.01394	2.6
72.46290	0.6
73.02966	0.7
75.22804	0.5
81.03469	1.0
83.05048	1.1
84.17645	0.7
85.02950	6.0
87.00871	4.2
88.04031	1.0
89.02470	0.9
89.97517	0.6
91.62363	0.6
93.03454	16.3
96.00945	1.1
96.96030	1.3
101.02462	0.6
101.54291	0.6
106.65628	0.6
111.04544	2.4
127.04046	1.4
127.05053	0.8
128.03499	1.0
129.02029	0.9
133.02917	1.5
135.04530	17.1
155.03474	1.1
160.01717	0.8
161.02435	8.7
172.52068	0.6
173.04544	5.6
179.03497	13.7
191.05606	100.0
192.05995	3.0
199.82805	0.6
323.07745	1.5
353.08749	11.3
354.09036	1.3
370.91232	0.6
395.09735	2.5
471.25952	1.0
497.22507	0.9
515.13953	49.9
516.14478	3.6
516.26605	1.4
530.92059	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55661	1.9
55.01875	2.8
57.03436	2.5
59.01380	35.3
61.98831	27.8
71.01383	18.4
71.05032	3.8
71.52343	1.9
73.02949	5.2
78.46859	1.7
83.01412	1.6
85.02962	8.5
89.02441	12.1
95.05038	6.7
96.92703	1.9
97.02957	6.3
97.06593	16.6
99.00883	79.6
99.04533	4.4
101.02451	10.4
101.88652	1.9
110.03767	2.2
113.02454	5.4
116.59747	1.7
117.07117	2.6
119.03540	3.3
123.04498	2.8
125.09741	7.7
135.08168	12.6
138.06227	1.6
142.02751	2.7
153.08064	3.2
153.09218	34.0
163.11266	7.0
168.46312	1.7
171.10243	9.5
179.07170	8.0
179.10728	2.0
181.08675	2.0
181.12364	19.4
197.08194	29.9
197.11839	6.4
199.13396	13.2
207.10277	33.1
212.01663	1.7
215.09235	47.2
225.11307	56.1
226.11658	2.0
243.12367	51.7
271.11938	2.5
289.12943	22.2
317.16028	31.6
318.16388	2.1
353.23615	2.1
497.23645	7.7
515.24158	100.0
516.24451	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	515.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	1.3
58.53761	0.8
59.01381	89.0
60.01704	1.3
61.98825	2.3
70.65265	0.8
71.52683	1.5
72.44336	0.9
73.82417	0.9
78.91867	2.1
78.95899	15.7
80.91690	1.7
85.09217	0.8
96.96973	1.0
105.86554	0.9
151.44434	1.0
152.99590	19.3
171.00647	4.3
197.19089	18.4
197.22052	0.8
201.96176	2.0
203.95952	2.0
223.20705	1.6
225.18671	1.1
225.22208	6.3
227.03214	1.5
227.20166	20.2
241.21794	1.3
245.04283	23.6
249.18695	2.1
269.21222	5.7
287.22275	100.0
288.22672	5.5
303.10208	0.9
355.44513	0.9
509.46466	0.8
515.26288	34.4
516.26544	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	514.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03074	2.8
59.01146	1.0
59.01477	3.4
61.98932	28.3
67.01957	0.6
69.72298	0.5
70.34746	0.4
71.01493	1.8
71.53953	0.4
71.54430	0.8
73.03812	0.7
73.04194	1.4
74.02125	2.3
74.02590	15.5
75.00961	0.4
78.95995	0.7
85.03042	0.9
87.01012	1.6
87.05770	1.4
88.04147	0.5
88.98943	1.2
89.02574	1.6
93.03589	3.9
96.96131	0.6
97.04171	0.8
98.02627	1.8
98.30804	0.4
101.02581	1.4
111.04576	0.6
111.08305	2.3
112.02933	1.8
112.70976	0.5
113.02612	1.2
115.04518	0.7
115.05289	2.1
125.03710	0.5
126.09397	0.5
128.03658	0.9
129.10342	12.0
130.08757	3.5
139.08923	0.4
140.07344	1.7
141.10469	0.8
141.74960	0.4
143.11896	10.3
151.08960	1.4
152.07256	0.4
153.04495	0.5
153.05630	1.8
153.10356	4.3
155.07274	1.0
155.08395	0.7
155.12064	1.2
157.13606	0.8
166.08856	0.5
167.12094	0.6
168.11421	9.3
169.07759	0.6
169.09848	2.5
171.10356	0.5
173.04517	3.2
179.12096	1.8
183.11336	3.5
186.12474	6.9
187.10812	2.9
191.05618	5.2
196.14589	0.6
197.13139	0.6
200.14238	1.6
210.12474	26.4
211.11049	0.6
211.12901	1.0
214.15605	15.0
215.16127	1.0
223.10944	1.0
225.11467	0.5
228.13516	14.9
229.14090	0.7
239.09540	0.7
240.10483	1.9
240.13704	0.8
242.18814	0.7
257.16287	0.6
258.14774	1.9
266.09601	0.9
267.09259	0.8
268.13669	1.5
278.12137	0.6
281.16330	0.5
284.09329	1.9
296.09872	0.5
296.13022	1.7
299.17337	1.1
309.23001	1.0
313.67215	0.5
322.10913	1.1
327.23996	8.2
340.11871	4.5
371.23141	1.7
384.26123	2.2
426.27289	1.7
428.25009	0.5
470.26160	100.0
471.26547	9.6
477.31262	0.5
479.24713	0.8
496.16168	0.7
496.27905	1.4
514.10406	0.9
514.17279	9.7
514.28723	15.7
515.18140	1.4
515.29248	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	514.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28840	0.1
53.74849	0.1
61.98827	100.0
65.28975	0.1
69.36260	0.3
69.36679	0.6
83.05303	0.1
451.19241	0.2
514.32819	0.2
542.63141	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	515.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.7
57.70885	2.1
59.01383	44.8
61.98834	4.1
64.36793	1.9
71.01384	39.1
71.52823	3.3
72.99303	8.0
73.02953	6.8
75.00879	4.1
78.95901	2.9
83.05016	3.6
85.02960	6.9
87.00872	4.8
89.02449	53.1
90.22074	1.9
93.03468	19.3
95.01422	2.6
99.00850	3.9
99.04498	3.8
101.02436	16.6
111.04542	8.7
112.98824	2.3
113.02440	20.5
119.03506	17.3
129.01997	3.6
130.05090	4.0
131.08263	48.8
133.01450	7.8
137.02457	7.3
139.10980	2.2
142.99878	12.5
143.03482	6.7
145.01451	2.7
154.95816	2.2
155.03496	4.5
161.04543	5.8
172.06221	2.6
172.96811	2.1
173.00941	5.2
173.04506	34.8
173.05632	3.0
173.09227	4.3
173.10471	5.4
174.08812	16.8
179.05621	27.9
341.10870	100.0
342.11169	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	515.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.2
61.98833	1.6
67.01889	2.2
71.01394	2.6
72.46290	0.6
73.02966	0.7
75.22804	0.5
81.03469	1.0
83.05048	1.1
84.17645	0.7
85.02950	6.0
87.00871	4.2
88.04031	1.0
89.02470	0.9
89.97517	0.6
91.62363	0.6
93.03454	16.3
96.00945	1.1
96.96030	1.3
101.02462	0.6
101.54291	0.6
106.65628	0.6
111.04544	2.4
127.04046	1.4
127.05053	0.8
128.03499	1.0
129.02029	0.9
133.02917	1.5
135.04530	17.1
155.03474	1.1
160.01717	0.8
161.02435	8.7
172.52068	0.6
173.04544	5.6
179.03497	13.7
191.05606	100.0
192.05995	3.0
199.82805	0.6
323.07745	1.5
353.08749	11.3
354.09036	1.3
370.91232	0.6
395.09735	2.5
471.25952	1.0
497.22507	0.9
515.13953	49.9
516.14478	3.6
516.26605	1.4
530.92059	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61171	0.7
59.01361	2.7
61.98822	5.2
69.81287	3.9
70.02966	2.2
70.23119	0.8
71.01375	1.6
78.95889	1.5
81.02185	3.9
82.02971	3.3
82.06642	1.0
85.02970	1.1
87.05617	3.4
93.03438	1.4
96.00906	8.5
96.96012	1.7
96.96925	1.2
98.02474	17.9
108.08186	1.0
109.01689	11.3
114.01962	3.6
115.08760	4.6
125.07208	5.2
126.05620	2.6
128.03474	1.0
129.10362	0.8
130.08733	53.2
133.06566	0.8
138.05588	1.3
138.09244	18.3
139.08719	1.1
140.07188	1.4
141.06671	1.0
141.10326	2.0
142.05052	1.0
143.06952	1.7
151.08710	2.5
152.07170	20.8
152.08418	1.2
154.08717	1.7
161.03546	1.1
163.08771	1.3
164.09567	1.7
166.08719	3.1
168.09036	0.9
168.11450	6.8
168.88963	0.9
169.09773	2.4
171.00656	0.9
173.04517	1.8
181.13618	0.8
183.15016	1.4
185.16556	2.3
186.12462	54.9
187.12784	1.8
191.05557	3.5
195.07777	2.3
196.06212	5.9
204.09013	2.2
211.14534	10.4
219.14999	4.3
221.16560	11.4
222.10063	3.0
222.15070	1.0
223.10689	0.8
225.89729	0.8
229.15524	3.5
239.17630	2.1
242.57764	0.9
247.14493	11.4
265.15613	9.4
273.23651	0.8
283.16599	1.2
309.14532	100.0
310.14828	5.4
327.15555	7.1
383.19415	2.6
496.27740	82.4
497.28049	9.1
514.28790	41.1
515.28815	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	514.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	9.7
61.98832	100.0
69.66619	4.3
69.67022	2.7
71.01382	4.2
73.02948	1.8
75.25893	1.0
80.91669	9.6
87.00922	1.3
89.02460	2.5
98.20626	2.4
101.02461	1.9
127.49265	1.2
130.06305	1.1
131.37697	1.2
155.53085	1.2
161.04448	1.8
199.94662	1.8
201.94456	10.4
215.72072	1.2
221.42320	1.3
244.25842	1.2
319.39456	1.2
337.72253	1.2
342.25333	1.3
383.24167	1.6
453.95850	1.2
515.28668	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	514.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73932	1.1
58.02968	5.1
58.51205	1.3
59.01377	9.4
60.99294	1.5
61.98831	28.4
67.01876	1.4
69.03452	1.5
71.01374	6.0
71.54668	1.4
72.00907	2.0
73.02936	1.7
74.02473	13.7
82.02990	1.6
85.02953	3.2
86.02479	4.6
86.99126	1.9
87.00870	3.7
87.05634	3.5
89.02457	2.9
90.00177	1.6
93.03466	10.3
96.00912	6.5
97.04059	1.6
98.02481	2.4
99.04523	3.1
99.05635	14.0
101.02451	3.4
101.07204	2.1
102.05603	2.1
109.01670	2.0
109.04052	2.6
111.04523	2.6
111.05594	1.4
112.04048	1.8
113.02439	1.4
113.03587	1.5
114.72760	1.2
116.01806	1.4
116.92881	1.4
118.06638	2.5
119.03497	1.9
122.46052	1.2
123.05611	1.6
127.05156	3.7
128.03539	36.9
129.03773	1.5
130.08743	1.7
135.05647	3.6
141.06699	4.8
143.04620	54.7
146.04596	4.3
147.04564	1.6
153.06685	4.2
160.00728	15.1
164.07201	3.6
166.09845	1.6
167.04631	3.8
167.08266	1.1
173.04553	16.5
177.03406	4.5
179.04616	9.0
189.06995	3.7
191.05612	12.9
197.05782	1.8
198.09146	1.2
210.08907	10.3
235.06192	1.5
239.09486	1.6
240.10208	5.1
242.07930	1.4
254.07829	17.7
266.09387	3.8
267.09125	2.1
268.09885	1.1
268.13315	2.6
268.54593	1.1
272.08850	27.5
273.09210	1.4
278.11829	3.0
284.09225	4.6
286.08673	6.3
288.06644	7.7
296.12900	4.8
306.07657	100.0
307.08011	5.3
322.11060	1.9
340.11905	13.8
353.10385	1.8
451.16342	9.9
496.16299	2.6
514.17261	24.3
514.27271	4.0
515.17181	2.1
515.28424	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	513.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81219	0.7
56.61733	0.8
61.98827	1.3
65.89908	0.9
70.24230	0.8
71.53584	1.0
78.95901	1.7
90.51102	0.8
114.09908	0.7
117.03473	53.7
118.03799	0.9
119.05034	52.9
120.05339	1.2
121.02971	11.4
123.04488	3.8
133.02933	1.8
145.02962	97.7
146.03287	3.4
152.99614	1.6
162.03221	2.3
163.04016	16.9
245.11913	1.9
263.28256	0.9
267.19690	1.2
277.21732	7.7
285.20703	2.4
342.10056	0.8
413.23260	6.7
431.24347	7.4
513.32227	100.0
514.32544	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	513.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42040	0.3
51.74998	0.3
59.01379	0.6
61.98833	0.9
66.74673	0.4
69.81361	1.9
74.79455	0.3
78.95892	0.6
85.00271	0.4
93.03474	0.8
98.20644	0.6
104.24265	0.3
111.15463	0.3
117.03465	45.4
118.03735	0.8
119.05028	42.3
120.05360	0.8
121.02959	11.3
123.04525	4.3
133.02959	3.2
134.03705	1.3
145.02956	84.2
146.03294	2.1
152.99547	0.6
162.03250	4.6
163.04024	15.7
163.05415	0.8
164.04430	0.5
188.02316	0.4
201.12875	0.7
227.10757	1.4
245.11771	1.7
254.50330	0.4
259.80283	0.4
267.19769	1.8
277.21838	3.8
285.20657	2.5
304.57352	0.4
339.50067	0.4
413.23309	6.3
414.23898	0.8
431.24405	7.4
432.24945	0.8
513.32190	100.0
514.32495	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	513.3218
Annotation	(+)-Methyl ganolucidate A
Peak:m/z	Relative Intensity
54.01936	0.4
59.01396	0.5
61.98824	0.7
66.17965	0.4
66.66837	0.4
69.17994	3.8
78.95908	1.2
93.03465	0.8
110.20708	0.4
117.03468	51.0
118.03752	0.8
119.05026	54.6
120.05360	1.3
121.02961	11.1
123.04521	3.2
133.02968	2.7
134.03761	0.8
145.02951	97.9
146.03305	3.1
162.03247	2.1
163.04007	20.4
164.04347	0.5
165.77753	0.4
245.11800	1.7
267.19611	1.5
277.21667	3.0
285.20584	3.1
313.05133	0.4
338.98590	0.4
348.02844	0.4
413.23331	7.6
414.23584	0.5
431.24384	6.7
432.24554	0.8
462.63223	0.5
513.32178	100.0
514.32532	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	513.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01723	1.4
61.98836	1.1
65.60540	0.6
69.88701	2.6
71.01373	5.7
71.60274	0.6
72.03162	0.5
73.02976	1.9
83.01408	0.7
85.02972	2.2
89.02457	0.9
95.01442	0.6
99.00907	1.0
101.02452	3.5
113.02475	2.5
143.03503	0.6
159.03027	1.2
161.04535	5.0
209.87793	0.6
396.43762	0.7
453.28363	1.2
475.14056	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.4
56.37882	0.1
57.03444	0.2
57.86804	0.1
58.00603	0.3
59.01378	7.4
60.24872	0.1
65.00887	0.1
65.76951	0.1
71.01382	5.0
72.99313	0.4
73.02941	0.9
78.95903	0.4
83.01379	0.7
83.05042	0.2
85.02944	1.2
87.00869	0.6
87.34589	0.1
89.02444	4.5
91.04025	0.3
92.64435	0.1
95.01399	0.5
97.02945	0.2
98.20726	0.3
99.00900	0.3
101.02443	4.9
101.13058	0.1
102.02781	0.1
103.64407	0.1
113.02455	2.2
119.03477	1.2
125.02452	0.2
131.03487	0.2
132.99522	0.1
133.05066	0.2
143.03528	0.5
152.99593	0.5
157.05103	0.2
161.04567	1.8
175.24194	0.1
179.05573	0.8
233.22751	0.3
235.08176	0.9
253.09279	17.7
254.09663	0.7
259.20679	0.5
275.20209	0.4
277.21710	100.0
278.22058	7.3
431.22433	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.4
57.03460	0.2
58.00615	0.2
59.01378	6.5
68.13334	0.1
70.12843	0.1
70.13168	0.4
71.01382	4.4
72.99310	0.2
73.02948	0.9
81.03458	0.1
83.01411	0.6
83.05045	0.1
85.02958	1.1
87.00867	0.6
89.02444	3.6
91.04050	0.2
95.01418	0.3
97.02948	0.2
97.06581	0.1
98.20563	0.1
99.00916	0.3
101.02442	4.6
112.23412	0.1
113.02445	2.1
115.04044	0.1
117.29530	0.1
119.03495	1.2
125.02446	0.2
127.07693	0.3
131.03488	0.2
133.05098	0.3
143.03491	0.5
157.05020	0.2
161.04555	1.6
171.95052	0.1
174.92606	0.1
179.05603	0.7
183.25832	0.1
205.19513	0.1
217.95795	0.1
233.22743	0.2
235.08151	0.8
246.77568	0.1
253.09276	15.4
254.09641	0.6
259.20654	0.3
275.20206	0.3
277.21704	100.0
278.22055	7.2
301.31168	0.1
503.41101	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20267	0.8
58.63653	0.9
59.01381	100.0
60.31400	0.9
61.98823	2.1
67.00866	0.8
70.55994	0.8
78.91891	2.7
89.02453	1.0
106.24600	0.8
118.05573	0.8
144.94073	1.6
201.96201	3.2
211.19264	1.0
379.15018	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98833	1.6
70.84006	2.0
76.29058	0.9
80.53251	1.0
87.96309	0.8
89.02419	1.0
96.96031	1.0
105.86163	0.9
113.01582	0.7
113.02416	0.9
146.63832	0.8
212.94769	0.9
225.56200	1.0
292.76431	0.9
495.08801	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	513.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	64.7
61.98821	3.6
71.01381	5.4
71.51971	2.2
71.62328	1.2
71.83135	1.2
72.99293	1.3
85.02947	3.8
89.02427	3.1
101.02422	3.9
113.02464	8.7
119.03541	1.7
120.67452	1.4
161.04492	1.9
165.12848	15.0
247.20612	7.2
249.91051	1.4
273.18582	3.5
291.19647	100.0
292.19925	9.0
296.34509	1.4
333.20627	5.3
456.36234	1.4
513.27576	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2701
Annotation	Tricalysioside J
Peak:m/z	Relative Intensity
59.01379	35.8
59.98512	3.9
61.98821	10.7
71.01383	36.7
72.99286	2.8
73.02937	6.6
74.52350	2.1
83.01418	2.5
85.02950	15.0
87.00901	3.5
89.02451	14.9
95.01404	2.9
99.00874	5.3
101.02448	28.1
111.04511	15.3
113.02445	13.0
113.06110	12.3
119.03481	6.1
122.97885	2.4
127.03920	2.6
139.47128	2.5
144.04268	5.0
155.07104	4.0
180.78633	2.5
181.08629	3.2
191.05643	3.9
256.37589	3.2
301.18036	3.2
317.21136	3.2
333.20831	3.3
335.22244	4.3
351.21729	3.8
481.24469	4.6
495.25815	4.2
513.26990	100.0
514.27380	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	513.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.7
59.01380	3.8
61.98822	2.5
64.89075	0.5
69.03117	0.7
69.03457	5.4
69.43921	1.3
69.44326	3.2
71.01366	2.3
71.05013	2.1
73.02971	0.7
77.58517	0.8
83.04988	0.6
95.05022	3.2
97.02940	2.2
97.06586	11.9
99.00879	36.3
104.35947	0.7
110.03713	1.3
116.75774	0.6
117.07093	1.3
123.04499	1.7
123.08149	1.9
125.09711	2.2
127.11296	0.7
135.08160	6.0
137.09669	0.9
142.02737	1.1
151.11266	2.3
153.09215	18.8
161.09729	4.4
169.08664	1.1
171.10286	4.1
179.07117	2.7
179.10789	9.7
181.30417	0.6
197.08188	16.3
197.11827	41.6
198.08528	0.9
198.12170	2.0
215.09222	15.2
223.09766	1.1
241.10815	10.5
253.33719	0.6
271.11710	1.1
289.12872	8.1
297.13385	1.8
315.14474	12.8
403.03113	0.6
469.24408	2.6
495.22159	1.2
513.23346	100.0
514.23608	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	512.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	63.8
61.98831	100.0
62.76240	5.0
66.11638	4.5
69.03468	6.3
71.01376	23.9
71.53596	8.2
72.18317	5.4
75.64110	5.1
78.95916	6.0
85.02960	14.3
89.02437	9.1
93.03404	7.8
97.06581	8.0
101.02422	15.6
113.02479	4.8
114.76896	5.0
115.75064	5.1
123.08138	9.1
169.08672	12.8
172.89748	4.8
173.04495	6.3
182.48972	5.8
185.71019	5.2
191.05649	6.5
197.11839	15.2
198.12123	10.3
217.67676	5.3
229.91174	5.9
280.86536	5.1
316.14648	5.8
431.26520	5.1
446.14389	5.3
449.27557	91.0
450.27783	7.0
495.22452	7.0
512.21948	58.1
513.27386	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	513.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19372	1.0
59.01377	17.0
61.98829	28.1
63.74472	1.0
66.99891	0.9
71.01382	20.5
71.05577	1.6
71.05922	1.6
72.99309	56.3
78.95905	8.8
82.70432	1.0
83.51178	1.1
85.02954	3.5
87.00873	1.9
89.02445	20.2
92.20960	1.1
96.96018	2.5
96.96960	16.1
101.02452	8.0
109.02938	2.1
113.02444	6.5
115.00372	31.2
119.03516	4.6
127.04021	2.5
128.95943	1.3
129.02052	1.3
133.01430	100.0
134.01743	1.7
143.03482	1.6
146.96597	4.3
152.95958	54.3
162.93983	4.8
170.90251	8.1
170.97011	92.9
171.02971	2.8
171.97322	2.9
172.06165	5.6
179.05591	7.2
184.00356	1.2
191.05615	2.2
218.16457	1.2
250.96593	1.6
310.98593	4.9
341.10886	41.5
342.11136	2.9
378.37408	1.2
385.50037	1.2
430.53650	1.2
513.08569	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	511.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	16.2
59.94556	1.5
61.98825	2.0
65.65730	1.1
65.96218	1.1
71.52901	1.7
78.60789	1.1
82.02981	1.7
83.06179	1.5
83.76143	1.2
109.04062	2.9
127.05143	20.3
128.03497	1.9
144.11406	4.4
145.06223	6.0
147.19754	1.2
158.13026	1.2
180.50159	1.2
194.12918	2.9
208.57430	1.4
211.15631	16.6
254.24879	5.5
335.30615	1.9
337.32471	1.9
449.38647	16.4
450.39423	1.7
493.37405	7.3
494.37051	2.8
511.38669	100.0
512.38733	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	512.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
61.98830	100.0
71.01390	0.3
74.48239	0.3
93.03531	0.2
96.96003	0.8
98.20677	0.5
110.88952	0.2
129.67882	0.3
159.81334	0.3
191.05623	0.5
193.94701	0.3
207.46629	0.3
244.06085	0.6
287.05777	0.5
339.05298	0.4
512.27686	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33126	0.2
53.46438	0.2
55.29272	0.2
56.85102	0.2
59.01389	1.3
61.98832	3.3
65.22635	0.3
71.01385	0.7
93.03460	0.5
98.19866	0.7
113.06122	0.4
117.03444	1.5
119.05029	83.5
120.05371	3.1
145.02948	8.3
146.03297	0.4
163.04010	100.0
164.04358	3.6
203.03998	0.3
325.09277	4.6
326.09583	0.3
349.16620	3.4
511.21869	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53555	0.3
51.84612	0.3
58.65999	0.4
59.01381	1.9
61.98830	100.0
63.73024	0.4
63.88337	0.4
69.33286	3.1
71.01381	0.6
78.95924	0.5
87.04528	1.1
101.02480	0.6
102.45830	0.4
156.47501	0.3
184.07996	0.4
227.09323	0.4
373.92203	0.4
509.35788	0.4
510.18860	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.3
61.98829	31.1
63.49688	0.6
63.66094	0.7
70.34082	2.4
71.01374	3.6
73.02928	1.1
79.05920	0.6
79.63934	0.8
83.01373	1.9
85.02937	2.0
89.02436	1.1
91.01901	1.0
93.03473	0.8
95.68185	0.8
101.02428	2.2
107.01373	2.6
109.02946	2.5
113.02482	0.8
121.02949	2.5
135.00887	1.4
151.00371	10.8
163.00362	3.2
178.99847	5.3
187.03900	0.8
227.03459	3.9
229.04985	1.2
243.02921	7.5
245.04590	1.7
248.57971	0.7
254.02119	1.6
255.02950	17.8
256.03357	1.1
271.02448	33.4
272.03003	3.5
273.04004	1.2
283.02408	1.4
284.03107	1.1
286.23819	0.9
299.01901	1.0
300.02725	65.4
301.03473	48.4
302.03900	2.8
329.23123	1.1
447.09286	100.0
448.09464	9.8
491.28442	2.6
492.28876	1.7
509.29575	10.9
510.23022	1.3
510.29868	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	510.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83564	0.7
59.01381	8.7
60.19712	0.8
61.98830	35.6
65.00307	0.8
69.75520	3.2
70.19757	0.8
71.01378	2.9
73.02947	1.2
83.01395	1.4
85.02947	1.8
101.02420	3.2
107.01380	3.6
109.02936	1.0
111.00874	1.2
117.69342	0.8
119.05116	0.8
121.02962	3.2
129.05711	1.0
148.01663	1.4
151.00360	13.2
152.00764	1.3
153.15582	0.9
159.04538	0.8
163.00385	2.6
178.99875	7.0
180.06270	0.8
191.05621	0.9
211.04102	1.9
226.02628	0.8
227.03467	3.4
229.05086	0.9
243.02930	6.9
245.04585	2.1
254.02145	1.5
255.02995	21.3
256.03265	1.5
271.02475	36.0
271.05411	1.9
272.02905	3.1
273.04016	1.6
283.02545	1.1
284.03418	0.9
286.32709	0.8
286.51294	0.9
300.02750	75.8
301.03488	54.8
302.03735	2.0
302.38763	0.9
332.77936	1.0
447.09311	100.0
448.09674	10.2
451.29041	1.7
491.28571	3.1
492.28622	1.1
509.29666	17.8
510.23349	1.2
510.29935	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	509.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51975	0.3
59.01381	100.0
60.01702	0.9
61.98841	0.9
66.75224	0.3
67.54536	0.3
69.22633	2.4
69.23050	1.1
71.01378	6.9
73.02950	2.1
83.01398	1.1
85.02948	4.3
89.02487	1.1
91.51445	0.4
93.79803	0.3
95.01394	1.0
97.97179	0.3
99.00902	0.9
101.02452	3.7
113.02444	3.6
113.03036	0.3
119.03520	0.4
161.04585	3.1
253.99710	0.4
449.29141	0.5
454.68460	0.4
467.30228	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	509.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50060	0.2
55.01878	0.5
57.03457	0.6
59.01379	100.0
60.01712	0.8
67.54073	0.2
69.03433	0.2
69.21127	0.9
69.21555	1.0
71.01380	7.4
73.02948	1.8
75.71301	0.2
83.01392	1.0
85.02950	3.7
87.00877	0.3
89.02460	0.9
95.01415	0.8
97.02954	0.4
99.00897	0.9
101.02438	3.6
102.70828	0.2
106.66277	0.2
113.02454	3.5
119.03506	0.4
125.02538	0.2
132.66609	0.2
135.64240	0.2
143.03471	0.2
159.03049	0.4
161.04553	3.3
337.48251	0.2
449.29138	0.5
467.30130	2.6
468.30756	0.3
492.11487	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.1
56.56714	0.7
57.03443	1.0
59.01382	41.1
61.98828	5.4
63.86421	0.6
64.98397	0.7
65.83459	0.8
70.60829	1.6
71.01382	7.6
73.02955	5.3
83.01380	2.3
85.02963	6.7
87.00851	0.8
89.02425	1.3
95.01388	1.6
99.00884	2.3
101.02438	11.2
101.55925	0.7
111.00887	2.4
113.02453	2.9
119.90322	0.7
161.04553	1.2
191.05571	1.0
259.90775	0.9
267.19617	1.0
287.22177	3.8
438.16248	0.9
449.27579	8.0
491.28470	2.8
509.29660	100.0
510.30060	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	509.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.5
57.03441	1.0
59.01378	47.7
61.98827	5.5
69.46880	3.0
71.01383	9.8
72.99303	0.7
73.02950	4.6
75.00869	1.0
83.01379	3.3
85.02948	6.2
86.00087	0.6
87.00878	1.3
89.02428	1.9
95.01389	0.6
99.00857	1.7
101.02438	10.1
111.00895	2.4
113.02442	4.8
121.02929	2.1
125.09744	0.5
137.27498	0.4
146.66689	0.4
157.12323	0.8
159.02982	1.3
161.04547	1.0
184.24452	0.5
191.05620	0.5
267.19769	0.6
283.22711	0.6
287.22260	2.1
300.02734	0.8
348.17734	0.6
357.23349	0.4
447.09119	1.5
449.27542	8.0
450.27692	0.6
491.28741	3.2
509.29642	100.0
510.30011	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	509.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60048	0.4
57.26344	0.4
59.01366	0.7
69.86692	1.9
74.41381	0.4
74.44880	0.3
78.95901	11.7
91.89044	0.4
93.34926	0.3
96.96952	0.8
98.20587	0.4
148.72267	0.4
152.99580	17.5
171.00591	1.8
178.88425	0.5
196.89494	2.3
197.33813	0.3
227.03261	3.1
230.89508	0.4
245.04201	1.8
281.24832	100.0
282.25198	8.4
283.26263	0.5
284.26718	0.8
474.06659	0.4
509.28787	32.8
510.29031	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	509.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58284	0.5
59.01371	2.2
63.79469	0.6
65.53001	0.4
71.02011	1.0
78.95907	22.3
91.43681	0.4
96.96972	1.8
152.99593	32.8
171.00655	1.1
196.89510	0.6
227.03265	5.3
245.04341	2.7
281.24850	100.0
282.25220	7.5
417.24100	1.1
509.28830	56.0
510.29135	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	509.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.7
61.01796	0.2
61.98831	100.0
69.37244	1.7
71.01402	0.2
86.30872	0.2
98.20404	0.9
101.02484	0.3
135.46097	0.2
152.09410	0.2
224.84566	0.2
347.23608	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93531	0.3
59.01379	6.0
61.98829	100.0
68.47816	0.3
69.22590	1.2
69.23016	1.8
71.01398	0.4
72.58437	0.3
88.26257	0.3
91.72932	0.3
98.19933	0.6
98.20591	0.7
110.86095	0.3
240.49854	0.3
443.81165	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.3
57.03448	3.9
58.00579	0.9
59.01382	22.5
59.05786	0.4
59.16169	0.4
61.43420	0.4
61.98535	0.4
61.98814	2.6
67.76151	0.4
69.03439	1.0
69.34952	3.9
71.01382	52.4
72.01719	0.7
72.99304	1.9
73.02948	15.5
75.00860	1.1
83.01391	7.2
83.77206	0.4
85.02951	26.5
86.00072	0.6
86.03259	0.5
87.00871	2.1
89.02446	9.3
95.01390	4.9
97.02943	1.6
98.20673	0.7
99.00886	6.3
101.02446	31.3
102.02780	0.7
111.00888	3.0
113.02451	21.5
119.03519	3.4
119.05025	0.6
123.08276	0.5
125.02457	1.2
129.01956	1.2
131.03522	0.6
143.03523	2.4
144.87184	0.4
159.02968	4.3
161.04550	16.7
162.04875	0.6
163.04005	0.6
173.04524	0.5
179.05531	0.6
185.15477	0.6
190.39186	0.4
191.05641	0.6
205.03503	1.0
249.77672	0.4
268.14240	0.4
299.25806	1.5
345.30066	8.5
346.30627	0.5
441.51428	0.4
507.35361	100.0
508.35596	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	507.296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.6
57.03447	0.8
58.65500	0.5
59.01381	100.0
60.01705	0.8
61.98849	1.1
64.71574	0.5
71.01385	7.9
71.41786	1.1
72.42366	0.6
73.02960	1.8
77.08387	0.5
83.01398	1.4
85.02949	3.8
89.02461	1.3
94.05619	0.5
95.01393	0.6
99.00914	1.1
101.01879	0.6
101.02417	3.0
102.14941	0.7
113.02461	3.1
161.04626	1.4
220.13707	0.6
220.95253	0.6
297.18878	0.5
303.23386	0.8
447.27676	1.8
465.28384	5.0
507.29007	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55182	0.5
55.01862	1.2
57.03448	1.3
58.00589	0.8
59.01379	43.0
59.32054	0.6
61.98826	14.3
64.57074	0.5
69.98069	1.3
69.98477	1.8
71.01382	11.2
72.99319	0.8
73.02942	6.0
75.00854	1.0
78.95863	0.6
83.01385	3.4
85.02960	6.6
86.00121	0.7
87.00890	1.2
89.02425	3.7
93.03414	0.7
95.01394	1.0
99.00874	1.8
101.02444	12.3
109.06570	1.5
111.00858	1.1
111.08144	0.6
113.02447	5.8
119.03465	1.0
125.02404	0.8
128.03578	0.9
129.02002	0.8
130.08704	0.6
139.07649	1.9
143.04594	0.6
145.02957	0.6
155.10789	1.0
159.02921	0.8
161.04587	2.2
191.05675	1.6
198.90141	0.5
241.01424	1.3
242.02168	3.2
243.02744	0.6
258.01700	3.3
270.01620	1.0
273.04022	2.8
286.23911	2.4
289.16489	0.8
301.03571	2.6
316.05771	1.0
329.02975	1.3
344.05356	3.8
345.05988	1.2
354.64395	0.7
361.16705	1.5
411.24042	0.9
429.24612	0.7
447.25992	4.8
465.53644	0.7
477.19257	1.4
489.27176	4.1
507.11871	12.1
507.28137	100.0
508.12061	1.3
508.28482	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	507.2812
Annotation	Foliasalacioside H
Peak:m/z	Relative Intensity
55.01876	1.4
57.03448	1.3
59.01381	52.7
61.98840	4.0
69.07476	0.5
70.17664	1.5
71.01380	12.6
72.99309	1.1
73.02947	4.6
78.00938	0.4
83.01387	2.7
83.12962	0.4
85.02944	6.0
87.00877	1.7
89.02449	3.6
95.01399	1.2
97.02943	0.6
99.00880	1.7
101.02444	12.9
107.83064	0.5
109.06641	0.5
111.00854	0.8
113.02453	5.5
119.03498	1.4
129.01994	0.6
145.08745	2.4
159.03009	0.8
161.04568	1.8
181.12381	0.4
223.07532	0.4
225.11227	0.6
225.14932	0.4
227.12906	1.9
237.09836	0.8
254.50735	0.4
265.06827	0.5
277.13037	0.6
283.10608	0.5
307.14011	1.0
345.22937	0.6
359.22403	0.5
385.95587	0.5
429.24759	0.5
447.16354	1.2
447.25992	3.9
448.26697	0.6
489.27396	4.5
490.28049	0.6
507.28204	100.0
508.28510	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	507.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
71.30975	0.7
78.95908	7.4
87.81384	0.4
96.96950	0.6
101.49259	0.5
119.92376	0.5
152.99594	11.9
171.00615	1.1
172.48175	0.5
195.16743	0.5
200.75999	0.4
227.03204	2.1
245.04286	2.3
256.24109	0.4
259.72903	0.5
261.22049	0.7
279.23279	100.0
280.23624	6.9
335.77737	0.4
436.99628	0.5
507.27234	23.5
508.27493	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55182	0.5
55.01862	1.2
57.03448	1.3
58.00589	0.8
59.01379	43.0
59.32054	0.6
61.98826	14.3
64.57074	0.5
69.98069	1.3
69.98477	1.8
71.01382	11.2
72.99319	0.8
73.02942	6.0
75.00854	1.0
78.95863	0.6
83.01385	3.4
85.02960	6.6
86.00121	0.7
87.00890	1.2
89.02425	3.7
93.03414	0.7
95.01394	1.0
99.00874	1.8
101.02444	12.3
109.06570	1.5
111.00858	1.1
111.08144	0.6
113.02447	5.8
119.03465	1.0
125.02404	0.8
128.03578	0.9
129.02002	0.8
130.08704	0.6
139.07649	1.9
143.04594	0.6
145.02957	0.6
155.10789	1.0
159.02921	0.8
161.04587	2.2
191.05675	1.6
198.90141	0.5
241.01424	1.3
242.02168	3.2
243.02744	0.6
258.01700	3.3
270.01620	1.0
273.04022	2.8
286.23911	2.4
289.16489	0.8
301.03571	2.6
316.05771	1.0
329.02975	1.3
344.05356	3.8
345.05988	1.2
354.64395	0.7
361.16705	1.5
411.24042	0.9
429.24612	0.7
447.25992	4.8
465.53644	0.7
477.19257	1.4
489.27176	4.1
507.11871	12.1
507.28137	100.0
508.12061	1.3
508.28482	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	507.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12711	0.4
58.14588	0.3
59.01382	0.5
71.21743	0.8
71.22092	0.4
78.95904	8.8
89.13488	0.4
96.96986	0.7
103.17295	0.3
103.80805	0.4
152.99579	14.9
171.00655	1.5
227.03276	2.8
245.04300	1.7
258.97009	0.4
261.22028	0.4
279.23270	100.0
280.23611	8.4
281.24850	2.0
282.25214	4.7
295.73682	0.4
315.66629	0.4
507.27219	28.6
508.27570	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	507.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.6
59.01377	100.0
60.01710	1.3
61.98822	10.7
70.14956	4.1
71.01378	34.6
72.99323	1.4
73.02943	8.0
75.00885	2.6
78.16498	1.0
83.01385	3.0
83.95168	1.4
85.02947	17.1
87.00893	2.2
88.04063	2.2
89.02438	11.3
89.51099	0.9
95.01397	3.0
96.00920	2.7
97.35873	1.1
99.00886	4.3
101.02435	18.6
109.01672	1.4
113.02440	15.6
114.08309	1.0
115.00359	2.8
119.02734	1.4
119.03528	4.5
119.05020	5.0
121.02969	3.1
125.02396	1.7
128.03557	3.1
130.08788	1.8
131.03456	1.2
132.02986	3.1
143.03554	1.3
143.04637	1.3
159.02963	2.8
161.04549	28.5
161.59113	1.1
163.03889	1.1
179.05754	1.5
179.08282	1.3
186.95004	1.0
191.05571	1.5
193.13474	2.9
194.44759	1.0
210.16164	1.4
239.06837	1.2
306.07669	1.9
331.17596	97.2
332.17831	8.2
345.10986	3.2
345.15561	3.7
361.18661	2.8
375.16708	2.1
391.23178	3.1
392.22211	2.5
400.22598	1.3
403.13177	1.1
447.22409	8.9
489.19254	1.4
507.25012	8.6
508.25363	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61081	0.3
55.71123	0.4
59.01378	24.9
60.01701	0.4
61.98819	1.8
69.30812	0.8
69.31215	2.1
71.01379	4.1
72.78977	0.4
73.02940	1.6
78.61843	0.4
78.95896	1.0
80.02674	1.1
83.01390	0.7
85.02951	1.9
89.02427	0.7
93.03432	0.4
95.01358	0.6
98.19872	0.8
99.00904	0.5
101.02453	2.7
107.01385	4.4
108.01486	0.5
108.02173	7.0
113.02449	1.4
119.05019	9.7
123.00869	2.9
123.04537	0.6
135.00862	0.7
136.00586	0.6
136.01648	11.2
151.04059	0.4
161.04524	0.9
173.04451	0.5
177.05548	0.7
191.05579	0.6
217.31773	0.4
237.05548	1.0
252.08064	0.5
269.08060	2.4
270.08890	1.5
285.11298	100.0
286.11691	7.0
345.29907	0.5
506.34164	0.4
507.35464	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	507.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.4
61.98829	100.0
64.61756	0.3
69.61771	2.1
71.01366	2.1
73.02946	0.7
75.00905	0.5
85.02959	0.7
89.02441	0.9
91.36902	0.3
95.01367	0.4
97.15022	0.3
101.02451	1.1
113.02460	1.5
119.05018	3.3
122.02425	0.5
145.02965	0.7
151.07643	0.4
161.04622	0.8
162.05661	0.7
191.05653	0.4
213.25978	0.3
282.11325	15.2
283.11713	1.3
331.17630	1.0
387.20660	0.5
392.47672	0.3
405.22513	0.3
444.16550	3.2
445.17065	0.4
447.22232	1.4
472.21210	0.5
507.21146	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10321	0.3
59.01382	4.0
61.98832	100.0
62.91290	0.3
71.01392	2.1
71.54558	0.4
73.02942	0.6
74.02488	0.5
75.00878	0.3
77.80173	0.3
85.02955	0.4
87.90263	0.3
88.04055	0.3
89.02440	0.9
96.00932	0.8
98.02508	0.3
101.02470	1.6
113.02484	0.8
113.03584	0.6
115.71765	0.3
119.05034	2.4
121.02999	0.4
128.03563	1.1
145.02966	0.4
148.67020	0.3
152.75903	0.3
161.04604	1.0
162.05605	0.7
169.74947	0.3
188.20663	0.3
191.05730	0.9
235.59785	0.3
282.11356	13.3
282.70996	0.4
283.11658	0.8
331.17627	0.6
444.16434	2.7
445.17468	0.4
447.22510	0.8
489.22586	0.3
507.20697	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60663	46.2
61.98820	100.0
81.43822	52.0
85.94115	47.3
96.96025	59.5
137.42122	54.4
150.98741	54.6
282.63339	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.6
58.02290	0.5
59.01381	23.1
60.00645	0.4
61.98832	6.5
70.89673	0.4
71.01020	0.5
71.01384	7.0
71.54757	0.7
72.99297	0.4
73.02947	2.1
75.00853	0.6
83.01387	1.4
85.02948	4.7
87.00883	1.1
89.02454	3.7
93.03447	0.8
95.03820	0.5
95.57903	0.5
96.04554	0.5
96.96005	2.9
99.00853	0.6
101.02445	5.7
103.04017	0.7
104.05081	0.6
106.06628	1.7
113.02467	2.3
115.04046	0.6
117.03516	0.6
119.03501	1.4
119.04986	1.1
122.06111	1.4
124.07671	3.7
125.02445	0.5
128.03557	0.7
131.03436	0.5
132.04556	20.8
133.05354	10.5
134.06114	3.0
143.03487	1.1
145.02937	3.2
145.05084	0.7
146.02406	0.5
148.04063	0.8
150.05588	1.3
161.04570	4.2
163.04012	1.8
163.06100	2.3
165.04306	12.1
165.05678	0.9
166.04652	0.6
176.03500	1.1
177.04282	2.8
178.05077	1.4
185.08420	0.6
186.09247	1.9
205.07188	1.7
209.03302	3.6
212.10652	0.5
213.06715	0.8
214.12428	2.7
215.11862	4.9
226.07399	0.7
229.09744	2.1
235.69150	0.5
240.10359	1.2
241.09853	2.0
257.12952	17.0
258.13275	1.1
283.10840	7.9
301.11908	9.1
302.12326	0.7
309.09644	2.4
327.09232	1.0
327.12488	1.9
331.17609	11.0
332.18039	0.9
345.10901	100.0
346.11224	7.3
351.10800	1.9
361.18649	0.6
381.11493	0.7
411.13135	1.3
442.14191	0.5
447.16647	0.6
447.22452	1.4
507.15549	8.6
507.21808	1.4
508.15967	0.9
524.53857	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82974	0.7
55.01888	1.0
58.00579	1.8
59.01381	41.9
60.01720	0.9
60.78723	0.6
61.98838	5.0
66.17972	0.7
70.88367	1.8
71.01382	25.9
72.99298	2.7
73.02937	3.3
75.00907	0.9
83.01377	2.3
85.02954	8.9
86.02480	12.9
87.00881	1.5
89.01933	1.3
89.02444	20.0
93.03487	0.9
95.01387	2.4
99.00874	1.5
101.02450	17.9
111.00875	1.2
113.02456	9.7
119.03513	6.8
127.05067	0.7
130.08719	0.9
136.01653	2.3
151.04021	1.9
159.03041	0.8
172.25499	0.8
191.05598	1.8
239.14699	1.6
243.89661	0.9
257.15756	8.6
258.16006	1.0
344.11993	1.5
419.21072	24.6
420.21429	2.5
488.17093	1.2
506.24252	100.0
507.24219	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	506.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84875	2.4
56.64547	2.7
57.89524	2.4
59.01379	38.4
61.98824	23.5
64.05777	2.3
70.06059	2.4
70.06390	11.4
71.01018	2.8
71.01384	37.9
72.00908	18.4
72.19529	2.2
73.02918	3.0
85.02964	3.6
87.00893	4.1
89.02442	44.9
96.95980	7.3
101.02448	18.0
113.02475	11.7
119.03476	17.8
131.03563	4.4
143.03502	4.2
147.03378	3.2
147.04518	58.1
148.04776	2.7
161.04555	8.5
164.07166	100.0
165.07484	4.5
179.05623	29.1
229.96605	2.5
341.10849	92.1
342.11154	7.0
443.18683	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	506.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.8
59.01382	55.4
61.98831	100.0
69.50205	12.2
71.01383	24.7
72.99310	2.7
73.02943	5.3
83.01379	2.7
83.66699	1.9
85.02957	9.1
86.99635	1.5
89.02454	21.7
95.16970	1.6
97.61594	1.5
98.20631	2.5
99.00843	2.6
101.02438	21.1
105.69724	1.7
111.00893	2.1
113.02473	11.8
119.03491	7.5
128.03557	2.3
143.03506	3.6
143.04533	2.2
161.04536	9.8
179.05644	5.1
191.05598	2.0
192.89526	1.7
196.04002	1.7
268.28427	1.7
284.11490	2.5
328.73169	1.9
343.45544	1.6
414.14185	4.6
431.72079	2.0
443.19211	10.1
446.16699	21.3
447.16891	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98827	63.8
71.01359	15.7
78.95898	32.8
85.08748	14.7
86.01146	17.8
98.20001	68.4
98.20679	33.2
137.51909	13.3
166.82639	15.6
239.43661	17.0
248.02170	15.0
253.09221	14.6
267.19870	14.7
269.21030	27.6
505.33743	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32684	0.6
51.83511	0.5
57.99591	0.6
59.01385	1.5
69.86079	3.5
78.95905	26.8
96.96967	2.3
129.07883	0.6
152.99582	42.5
171.00621	1.8
227.03255	5.4
245.04280	2.2
259.20743	0.8
277.21707	100.0
278.22049	7.2
306.27448	0.6
431.22031	0.8
472.97000	0.8
505.25708	62.8
506.25983	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	505.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75352	0.6
59.01372	1.3
70.85538	1.1
70.85904	0.8
78.95902	10.5
96.96977	0.8
152.99591	16.5
171.00650	1.3
184.76732	0.6
204.86368	0.6
208.91685	0.6
227.03279	2.2
245.04250	2.0
246.58878	0.7
277.21716	100.0
278.21985	7.3
279.23166	1.2
280.23642	2.2
285.21390	0.6
358.69818	0.7
378.20630	0.7
505.25693	26.1
506.26511	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	505.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37217	4.1
57.90990	4.5
59.01377	74.1
61.58610	4.1
61.98827	28.2
69.03451	5.6
71.01387	100.0
71.10536	9.2
72.99336	4.2
74.02490	4.4
74.96845	4.7
75.00871	5.9
81.92247	3.9
85.02949	15.4
85.51183	4.1
87.00853	6.2
88.04037	5.3
89.02438	81.0
91.01890	7.7
93.03455	25.1
96.95980	4.7
97.02978	8.7
99.00809	5.7
101.02438	23.9
113.02450	15.8
115.00383	15.3
115.05995	3.9
119.01366	4.8
119.03457	5.0
121.02954	16.9
125.02454	26.4
128.03549	10.6
131.03499	26.4
133.02951	4.4
134.03778	9.7
137.02469	15.6
149.02460	7.2
149.04544	27.7
149.06055	5.2
150.03279	28.0
151.04027	97.4
152.04247	6.4
165.05521	14.6
166.05896	6.5
173.04607	7.4
177.04243	7.0
178.04634	4.4
191.05574	17.3
233.06625	4.6
272.11508	4.8
293.08740	43.0
390.12256	4.5
423.16284	5.6
505.15530	43.6
505.20740	8.8
506.16333	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	505.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70387	0.6
59.01374	1.2
61.98818	1.1
69.73923	0.5
70.94962	1.3
78.95895	3.3
103.23354	0.6
106.21535	0.7
110.26333	0.6
121.02958	100.0
122.03307	2.9
137.13567	0.6
152.99634	3.0
174.80074	0.7
181.06564	2.7
197.06075	1.8
207.04434	0.9
225.05563	2.8
226.57722	0.8
247.66771	0.6
257.09778	1.0
278.22043	2.3
279.22385	1.4
282.77148	0.6
286.74084	0.7
313.07101	5.0
357.06192	0.9
373.10995	1.0
383.07715	1.0
417.09744	10.1
418.10141	1.0
450.12161	0.7
505.11441	8.2
506.11496	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67738	1.0
61.98833	100.0
65.21651	1.1
71.11028	2.7
75.94527	1.2
78.95915	3.6
85.11375	1.0
88.23661	1.0
92.93143	1.1
98.20522	1.2
125.40811	1.1
152.99690	1.4
166.72292	1.1
279.23309	4.6
329.12228	1.2
420.82462	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	504.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.9
61.98830	100.0
62.02375	1.2
66.01044	1.1
69.26308	1.2
69.26628	12.0
71.01378	7.2
72.99302	1.8
75.00897	6.2
78.95916	5.1
85.02949	6.8
87.00886	1.6
89.02426	1.6
91.47324	1.1
95.01385	2.9
99.00871	3.6
106.74803	1.2
111.69627	1.3
113.02468	13.2
152.99599	3.1
167.41457	1.2
196.03770	1.7
249.06113	4.4
255.23274	30.7
259.83820	1.3
267.07343	2.5
279.23221	7.2
291.91754	1.3
307.26376	14.3
315.82285	1.4
422.16251	1.3
504.30817	3.8
505.30130	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69462	0.5
52.03815	0.4
59.01383	3.1
61.98826	0.9
62.17866	0.3
69.36807	1.1
69.37223	2.5
71.01382	0.8
98.19954	1.0
101.02464	0.8
113.39581	0.4
120.01253	100.0
121.01610	0.7
128.03551	1.0
148.05307	1.5
149.06120	0.5
178.05067	1.4
191.05577	0.8
283.15652	0.8
286.91043	0.5
317.79330	0.6
327.00067	0.5
327.11230	0.6
342.13501	5.0
343.13736	0.5
504.23685	0.8
505.26608	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	503.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22398	1.2
61.98839	10.9
66.03486	15.7
68.01434	3.0
71.01389	2.2
79.83696	1.3
82.02988	35.7
82.03485	1.7
83.01385	2.7
94.02988	4.9
110.02478	100.0
111.02013	7.9
111.02747	2.6
120.04567	3.4
122.02466	8.8
124.04115	1.4
136.04045	1.6
140.03545	8.6
153.03078	12.2
164.03545	4.8
182.04588	8.7
191.81482	1.3
192.31314	1.3
192.40570	1.2
200.05579	1.8
218.99701	1.3
264.47464	1.4
273.15741	1.4
277.21704	11.8
279.23254	2.0
460.27109	10.0
503.27631	15.7
504.27954	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	504.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.1
60.14153	0.3
61.98843	1.2
69.25630	1.0
69.26061	1.3
71.01379	1.2
74.02452	0.3
75.00903	0.3
79.95741	2.7
82.95386	0.3
89.02448	1.1
93.03461	0.5
96.96011	100.0
98.19913	0.5
101.02423	0.4
113.02486	0.3
114.05614	0.3
115.00338	0.3
119.03484	0.3
119.05010	0.3
128.03511	0.4
130.08690	0.3
134.03770	0.3
135.04530	0.3
143.04727	0.3
143.17838	0.2
150.03227	0.8
154.86819	0.3
165.05571	0.6
173.04590	1.1
179.05559	0.4
183.99210	0.4
188.80833	0.3
191.00450	0.4
192.01288	1.3
195.06476	0.3
214.08626	0.3
241.01430	0.5
242.08336	0.5
248.03819	3.1
249.04152	0.4
250.03645	0.5
286.07220	0.8
292.02802	1.8
310.03479	1.3
358.93585	0.3
385.09509	0.4
406.16602	0.4
415.10318	0.3
466.08142	0.4
504.15375	1.3
504.21201	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2499
Annotation	Foliasalacioside D
Peak:m/z	Relative Intensity
54.63771	0.4
55.01881	3.9
57.03450	5.3
58.00595	1.8
59.01382	41.3
59.26067	0.4
61.98832	2.0
69.03453	1.6
70.88255	0.4
71.01382	55.8
72.01717	0.5
72.99313	2.0
73.02946	24.7
75.00872	1.6
81.03459	0.7
83.01391	9.0
85.02956	24.7
86.00102	0.5
87.00885	3.3
89.02447	24.0
95.01389	3.7
97.02939	3.3
98.20693	0.8
99.00890	13.7
99.04496	0.6
101.02448	47.1
102.02792	0.9
111.00912	1.0
113.02454	19.8
114.02820	0.6
115.04016	2.2
119.03513	3.4
125.02452	5.3
127.04034	0.7
129.01973	1.2
130.08760	0.6
131.03529	3.9
137.09764	0.9
143.03539	2.3
143.04475	0.5
149.04544	5.2
150.82242	0.5
159.03014	3.7
161.04567	19.0
175.33530	0.4
179.05571	0.6
182.65703	0.4
191.05582	2.6
201.37318	0.4
205.71927	0.4
209.15469	7.0
232.37366	0.4
233.06618	4.6
275.07806	0.4
293.08853	1.8
371.20734	54.2
372.21097	4.7
391.93951	0.4
503.25031	100.0
504.25217	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	502.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34790	0.1
58.00602	0.0
58.19779	0.1
59.01377	1.0
59.98511	0.1
61.98810	0.1
62.96426	0.1
71.01380	0.2
78.95900	7.3
80.42049	0.0
83.05035	0.2
96.96983	0.1
98.19865	0.2
105.78093	0.1
127.07653	0.2
141.09216	0.1
149.06895	0.0
152.99553	0.7
168.04297	1.9
171.00583	0.1
182.13110	0.0
205.19617	0.2
224.06909	1.2
233.15190	0.1
233.22714	0.4
234.09555	0.1
242.07980	3.2
243.08311	0.1
259.20633	0.5
275.20038	0.4
277.21698	100.0
278.22040	7.1
278.28433	0.1
502.29382	6.6
503.29657	0.6
507.64825	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	503.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.94487	0.6
78.95901	46.4
81.93106	0.7
86.11967	0.8
90.73287	0.8
92.40383	0.7
96.96976	3.6
98.19891	2.1
150.98044	0.9
152.99582	59.5
153.99861	0.7
171.00644	17.5
187.94720	0.7
188.09901	0.7
227.03226	2.7
229.15643	1.1
231.21161	39.9
232.21474	2.8
245.04301	100.0
246.04572	2.3
275.20132	44.9
276.20526	2.2
281.88797	0.9
340.89130	0.8
406.39893	0.8
503.24112	21.9
504.24493	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
69.25714	5.3
89.28226	0.6
168.08038	0.5
210.15439	0.5
281.75107	0.5
448.25864	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.0
61.98822	0.2
62.96378	0.1
71.01382	0.4
78.95902	25.6
83.05019	0.2
96.96951	0.4
98.19817	0.1
122.98534	0.2
127.07641	0.3
127.29007	0.1
134.98518	0.3
148.89206	0.1
152.99579	4.2
168.04300	4.0
171.00655	0.4
194.05885	0.3
205.19420	0.1
224.06923	11.2
225.07243	0.3
231.21182	0.8
233.22705	0.4
242.07979	2.8
242.87025	0.1
245.04297	2.3
259.20688	0.5
275.20123	1.6
277.21701	100.0
278.22046	7.6
333.12921	0.1
413.20877	0.1
502.29379	24.0
503.23761	0.4
503.29959	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	502.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65976	0.4
61.98828	100.0
93.04527	0.5
133.13237	0.4
133.84811	0.5
175.31026	0.5
299.19733	0.5
499.93015	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75470	0.7
56.05136	0.8
61.98831	100.0
63.58221	0.8
69.47756	5.5
76.24236	0.8
80.71256	0.7
108.84399	0.9
281.11288	0.9
305.24829	2.5
375.39148	0.8
417.58115	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59182	0.9
88.09457	0.8
96.69932	1.0
98.62351	0.9
100.49502	1.0
108.41412	1.1
112.94196	0.8
123.70947	1.1
133.06744	1.0
149.09714	25.3
150.10002	1.3
163.11281	100.0
164.11604	4.1
172.68161	0.9
217.64265	1.1
325.21698	22.0
326.22037	2.3
337.21735	14.3
338.22116	1.7
414.85315	1.0
501.33725	90.3
502.34061	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	502.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45228	0.5
59.01376	10.2
60.01720	0.7
61.98830	100.0
70.94293	1.3
71.01382	5.0
73.02951	1.4
77.24162	0.5
85.02976	1.4
89.02438	3.5
101.02448	4.0
102.02833	0.8
107.54216	0.5
111.00871	2.2
113.02481	1.7
119.03502	1.4
121.02905	0.7
128.35202	0.6
133.53996	0.6
144.02249	0.6
181.06390	0.5
242.20030	0.6
357.06573	0.7
412.39734	0.6
433.38602	0.6
446.33035	0.6
501.30981	1.9
502.31012	7.8
503.31696	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	501.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.8
57.03441	2.6
58.00584	2.7
58.56776	0.6
59.01379	70.9
59.41051	0.6
61.98820	2.5
67.01899	0.8
71.01381	53.3
72.99319	2.9
73.02943	9.5
75.34962	0.6
83.01385	4.7
85.02950	16.9
87.00869	1.9
88.93895	0.6
89.02444	35.3
89.41398	0.6
95.01398	4.9
97.02963	0.8
98.19843	1.2
99.00887	1.7
99.04501	0.7
101.02443	35.7
103.04012	1.0
111.00878	2.3
113.02449	18.7
119.03506	19.5
131.03525	0.9
131.93556	0.7
143.03488	2.2
147.08235	0.6
149.04494	1.1
159.02965	1.7
161.04604	3.9
179.05640	3.2
186.33978	0.6
204.30397	0.7
228.33736	0.6
245.50789	0.6
254.68930	0.7
291.48596	0.6
298.25201	0.6
326.16721	0.6
339.25345	9.3
340.25751	1.4
481.28027	0.7
501.30685	100.0
501.93613	0.7
502.30899	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	501.307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.8
57.03449	8.2
58.00571	1.5
59.01381	33.3
67.01883	1.3
68.91338	0.7
69.03445	1.4
69.43720	5.3
71.01382	67.4
72.01710	0.9
72.77872	0.6
72.99312	1.1
73.02949	26.9
75.00873	1.2
80.56767	0.6
83.01390	8.0
84.02183	0.8
85.02951	32.8
87.00866	4.2
89.02445	11.4
95.01392	6.4
97.02956	1.7
99.00881	9.2
101.02441	39.1
102.02747	0.6
111.00887	13.9
113.02454	24.1
119.03496	3.9
125.02456	1.7
129.01910	2.5
143.03513	1.7
159.03020	4.7
161.03256	1.2
161.04558	18.8
162.04845	0.7
173.00888	0.9
179.05579	1.0
191.05597	2.8
195.86653	0.8
221.18985	1.2
242.83917	0.7
248.43314	0.7
291.23288	2.3
303.23407	1.4
327.21796	1.0
339.25357	23.7
340.25592	2.2
401.14990	0.7
483.30389	1.0
501.30695	100.0
502.31085	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	501.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.8
57.03441	2.6
58.00584	2.7
58.56776	0.6
59.01379	70.9
59.41051	0.6
61.98820	2.5
67.01899	0.8
71.01381	53.3
72.99319	2.9
73.02943	9.5
75.34962	0.6
83.01385	4.7
85.02950	16.9
87.00869	1.9
88.93895	0.6
89.02444	35.3
89.41398	0.6
95.01398	4.9
97.02963	0.8
98.19843	1.2
99.00887	1.7
99.04501	0.7
101.02443	35.7
103.04012	1.0
111.00878	2.3
113.02449	18.7
119.03506	19.5
131.03525	0.9
131.93556	0.7
143.03488	2.2
147.08235	0.6
149.04494	1.1
159.02965	1.7
161.04604	3.9
179.05640	3.2
186.33978	0.6
204.30397	0.7
228.33736	0.6
245.50789	0.6
254.68930	0.7
291.48596	0.6
298.25201	0.6
326.16721	0.6
339.25345	9.3
340.25751	1.4
481.28027	0.7
501.30685	100.0
501.93613	0.7
502.30899	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	501.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.4
57.03453	5.6
58.00581	2.5
59.01378	64.0
60.01709	0.9
61.98825	10.2
67.87013	0.7
69.03464	1.0
70.80643	1.9
71.01381	100.0
72.99298	4.2
73.02945	21.1
75.00892	2.2
78.14998	0.8
81.03468	1.2
83.01389	10.0
84.02218	1.0
85.02949	39.5
87.00889	4.1
87.04509	11.4
89.02442	36.1
89.03009	1.2
95.01394	6.9
97.02960	1.6
97.06589	4.6
99.00882	9.8
99.04496	1.7
101.02442	58.2
102.02763	1.1
111.00858	1.7
113.02451	37.6
114.02805	1.1
118.09740	0.8
119.03494	16.4
119.04890	0.9
125.02457	2.5
129.01941	2.5
131.03481	2.3
132.17006	1.0
143.03499	5.5
145.02956	1.9
149.04552	1.6
159.02960	6.7
159.10219	1.0
161.04552	38.1
179.05592	5.0
181.12344	2.7
185.11842	1.7
191.05655	1.1
204.52464	0.9
321.15436	1.5
339.25269	6.1
343.17612	5.1
473.89740	0.9
501.30698	63.5
502.25082	1.1
502.31387	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	501.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80886	0.9
54.15608	0.8
55.01868	3.0
57.03447	3.3
58.00587	2.5
59.01378	80.4
61.98817	4.1
71.01381	55.3
71.30779	1.9
72.99310	4.8
73.02940	5.2
83.01388	4.4
85.02943	16.6
87.00860	3.4
89.02442	44.8
90.11633	0.8
94.95269	0.9
95.01383	4.3
99.00879	2.3
99.04517	5.8
101.02446	40.4
108.87974	0.8
109.06600	1.3
111.00870	2.7
113.02444	22.7
119.03498	24.5
131.03514	1.5
143.03494	3.1
149.04549	1.1
153.09195	1.6
161.04568	4.6
163.96298	0.8
179.05576	4.2
184.72940	0.9
339.25323	8.8
471.82037	1.0
499.29114	1.4
501.30676	100.0
502.31024	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	499.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00626	1.4
59.01379	100.0
69.00884	1.3
69.51296	1.4
78.95901	1.7
79.63569	1.3
91.04009	1.5
120.30240	1.4
138.16826	1.7
271.22659	2.4
278.96500	1.4
314.42514	1.7
357.36710	1.5
365.26984	10.4
378.88370	1.7
496.89291	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73870	0.7
55.01886	4.2
57.03450	5.2
58.00589	2.3
59.01382	66.6
60.01711	1.0
61.98831	10.6
69.03456	1.6
71.01384	100.0
72.01727	1.0
72.99319	3.5
73.02948	23.1
75.00868	1.4
78.91889	1.0
81.03479	0.8
83.01383	10.1
83.05048	1.0
85.02951	40.9
87.00871	4.5
87.04511	6.6
89.02444	38.9
90.02757	0.9
93.03480	0.8
95.01380	7.7
97.02944	1.8
97.06602	4.3
99.00889	10.6
99.04526	1.7
101.02448	57.3
102.02800	1.5
111.00857	1.0
113.02452	41.8
114.02797	1.0
119.03500	17.3
119.04927	1.1
125.02415	2.2
129.01884	2.1
131.03510	2.0
134.06114	2.2
143.03502	4.5
149.04570	1.9
149.09697	0.9
159.02983	8.2
161.04561	37.1
161.09691	1.1
161.13361	0.8
164.07162	1.2
173.04488	1.3
178.05045	2.1
179.05589	5.6
181.12280	1.9
187.11279	1.4
189.09213	0.9
191.05664	0.9
205.03549	1.6
239.16504	1.3
308.63791	0.9
312.15909	0.8
339.25476	5.9
340.10309	1.8
343.17627	2.3
401.21872	5.9
501.24133	2.6
501.30707	60.5
502.24756	1.0
502.31219	6.9
528.61713	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2914
Annotation	Tricalysioside T
Peak:m/z	Relative Intensity
55.01870	2.0
57.03447	1.9
58.00580	0.9
59.01381	22.1
59.29075	0.6
61.98828	1.0
69.62274	0.9
69.62688	2.4
71.01382	27.0
71.01781	1.3
72.99292	1.5
73.02949	6.9
80.91668	1.3
83.01391	5.1
85.02947	12.2
86.03232	0.6
87.00864	1.6
87.04525	3.3
89.02445	8.4
95.01380	2.5
97.02962	0.7
97.06603	1.3
98.20535	1.1
99.00882	2.6
101.02444	17.9
102.44129	0.6
113.02436	9.5
119.03516	3.1
119.04223	0.6
125.09741	0.8
129.01927	0.8
134.93639	0.6
143.03482	0.8
154.99847	0.7
159.03026	0.9
161.04593	3.4
166.04974	0.6
199.13419	2.1
225.11304	2.2
253.09193	1.5
263.16489	7.7
294.98782	0.9
304.68353	0.6
319.22708	0.7
426.29892	0.7
455.30090	1.2
467.74686	0.5
499.29132	100.0
500.29520	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	499.2911
Annotation	Tricalysioside T
Peak:m/z	Relative Intensity
55.01880	3.3
57.03447	6.2
58.00594	3.4
59.01379	65.5
61.98831	4.6
64.69541	2.9
70.94009	6.4
71.01378	86.4
73.02946	21.6
83.01393	9.3
83.08150	2.5
85.02957	35.0
87.00896	3.3
89.02450	28.6
95.01381	6.6
96.46364	2.9
99.00889	8.7
99.01468	2.7
101.02438	47.4
113.02469	31.2
119.03484	7.8
159.03024	6.7
161.04553	32.4
200.27463	3.0
241.17468	2.5
286.51950	3.4
307.22806	8.5
308.99142	2.5
319.85916	2.6
322.60291	3.1
460.10214	3.1
469.28055	100.0
470.28430	14.9
499.28891	56.4
500.29138	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2674
Annotation	Kadcoccilactone E
Peak:m/z	Relative Intensity
58.71169	1.0
59.01378	86.8
59.14754	0.8
60.01722	1.7
61.98824	1.5
78.95903	30.1
85.69091	0.9
96.96946	2.8
128.03525	1.1
132.28593	1.0
132.75296	1.0
152.99579	51.3
171.00629	4.5
173.10826	1.0
214.86050	0.9
216.80328	0.9
225.22235	1.9
227.03265	10.8
245.04317	6.8
263.08914	1.2
271.22763	100.0
272.23068	6.5
303.50787	1.0
455.17249	1.4
499.26776	81.3
500.26999	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	499.2913
Annotation	Tricalysioside T
Peak:m/z	Relative Intensity
59.01380	54.2
61.98818	7.6
69.79517	10.1
71.01390	28.9
73.02949	23.3
78.62627	2.7
83.01368	7.1
85.02949	8.6
87.00883	4.8
89.02461	11.9
98.20325	7.3
101.02436	20.7
113.02415	10.0
123.11333	2.9
152.51788	2.7
154.99898	3.6
171.99931	2.8
214.72684	3.1
223.17010	6.4
269.90884	2.5
277.21774	16.4
295.22659	9.6
349.82874	2.9
439.27045	15.0
440.27283	3.3
457.28043	36.3
472.72485	2.8
499.23334	5.1
499.29138	100.0
500.29120	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46637	0.7
59.01379	100.0
60.01704	1.2
61.98853	0.6
62.35173	0.7
69.32293	4.3
71.01379	5.2
73.02970	1.0
83.01442	0.8
85.02973	2.0
89.02453	3.7
98.19871	1.2
98.20522	1.4
99.04526	1.4
101.02422	3.8
113.02449	2.6
119.03504	1.0
124.60738	0.7
181.81754	0.7
216.20784	0.8
439.23355	20.3
440.23557	1.6
499.28860	8.1
500.29520	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	499.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	64.3
70.97239	0.8
74.65533	0.5
77.21712	0.5
78.95901	11.5
79.55299	0.5
96.96941	0.8
109.38371	0.6
111.84669	0.5
119.65311	0.5
122.29119	0.6
152.99580	11.3
171.00584	2.5
188.71982	0.5
227.03230	1.5
245.04326	6.4
271.22772	100.0
272.23129	7.3
303.80423	0.6
310.91507	0.5
338.31018	0.5
462.65643	0.6
499.26776	29.0
500.27356	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	499.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33219	0.4
59.01377	41.7
61.98841	3.1
66.47568	0.4
69.03448	0.8
69.57096	1.0
69.57507	2.5
71.01387	0.7
72.92897	0.5
72.99290	0.4
78.95911	1.4
81.05878	0.4
85.02959	1.0
87.00826	0.6
89.02482	0.5
93.03448	1.6
96.96010	4.0
96.96986	1.4
98.20645	0.7
110.40380	0.4
111.07109	0.5
113.02455	3.8
114.05595	0.5
119.05014	0.7
128.03525	2.9
130.08746	0.5
131.07138	100.0
132.07428	2.3
144.07739	1.2
166.08769	0.7
173.04562	1.8
176.01088	0.5
178.94366	0.6
191.05608	3.4
193.28189	0.6
194.55727	0.5
235.11964	0.6
281.04648	1.0
303.33636	0.4
335.03238	0.5
353.10843	0.6
367.16043	1.1
499.14578	1.4
499.29514	1.4
500.23709	1.1
517.63989	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1453
Annotation	kn-93
Peak:m/z	Relative Intensity
57.03441	1.0
59.01367	2.2
60.78389	0.8
60.99299	4.0
61.98831	1.4
67.01885	10.7
69.03447	2.5
70.79642	1.1
70.79975	0.8
71.01382	4.6
81.03453	2.3
83.05027	1.6
85.02946	4.2
87.00882	14.2
87.05640	0.7
88.04038	0.8
93.03457	75.9
94.03789	2.4
96.96007	6.0
96.96970	1.0
99.00887	1.3
101.02433	0.8
110.07238	0.7
111.04514	8.8
113.02458	1.0
119.05025	30.9
120.05360	1.1
127.04002	1.5
127.05090	1.2
128.03543	2.0
129.01924	2.4
130.08752	1.0
141.06499	0.7
145.02965	2.1
154.06230	0.9
155.03487	2.6
163.04012	21.9
164.04353	1.2
173.04547	20.7
191.05608	89.1
192.06003	3.3
240.61220	0.6
262.33890	0.8
278.79160	0.7
293.23547	0.6
307.07886	0.7
337.09286	14.2
338.09543	0.9
379.10205	2.5
499.14560	100.0
499.26849	2.4
500.14948	11.1
500.26834	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02964	0.9
69.77544	3.7
72.00899	1.5
73.04070	19.9
74.02473	40.2
78.95908	1.4
82.06615	1.5
82.38714	0.6
83.02524	1.0
83.67211	0.6
84.00910	1.0
86.17408	0.7
87.05643	3.5
98.19919	1.4
101.39706	0.6
108.08186	1.2
112.02802	2.2
112.76807	0.7
118.05115	5.1
126.09252	2.1
128.09966	0.6
130.08743	3.2
135.01060	0.7
139.08745	2.2
140.07121	1.0
141.10342	4.1
143.11897	24.5
152.07149	5.2
152.99570	2.3
153.10310	2.8
165.10309	1.4
169.09793	5.9
169.13480	4.0
178.38994	0.7
187.10863	7.0
200.14037	44.1
201.14319	2.3
209.19289	0.7
226.15569	2.4
226.21759	40.0
227.22095	2.5
240.23250	0.8
264.22229	0.7
266.21320	1.4
268.31693	0.8
270.20734	2.8
278.22104	1.4
283.23914	19.8
284.24411	1.0
308.29861	1.0
379.29672	2.4
397.30746	6.3
398.31161	1.2
410.33826	3.1
436.35538	1.5
454.32843	100.0
455.33221	10.4
497.91196	0.7
498.35483	45.9
499.35907	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	497.2757
Annotation	Virescenoside N
Peak:m/z	Relative Intensity
52.57014	0.7
55.01883	1.4
57.03450	1.5
59.01379	11.4
70.84560	1.5
71.01383	14.8
72.99306	0.8
73.02945	3.3
73.12501	0.7
78.95905	2.0
83.01392	1.6
85.02954	7.0
87.00886	1.0
89.02467	5.7
98.20441	1.0
99.00890	1.1
99.04522	100.0
100.04858	2.0
101.02439	8.3
107.73717	0.7
113.02448	4.8
119.03544	3.9
152.99588	2.6
161.04568	2.8
165.84029	0.6
233.64639	0.8
319.22784	2.4
332.35434	0.7
360.57974	0.7
397.22165	5.7
479.26779	1.6
496.62839	0.7
497.27576	52.6
498.27893	5.8
499.38184	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52402	0.6
59.01378	12.4
61.98828	100.0
69.03477	1.0
69.33978	2.7
69.34377	2.0
71.01377	9.1
73.02965	1.8
75.00887	0.7
83.01394	0.7
83.05021	0.8
85.02975	4.8
89.02454	5.2
93.03463	1.7
99.00896	0.7
99.04518	2.1
101.02434	5.0
113.02459	3.9
114.02746	0.6
115.32337	0.6
119.03541	3.1
132.82025	0.7
138.22076	0.6
143.03548	0.6
161.04572	1.9
173.04579	1.8
179.05690	0.6
191.05640	2.8
216.29582	0.6
306.47617	0.7
320.23221	1.1
498.27850	20.3
499.29373	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	497.2755
Annotation	Ephemeranthoside
Peak:m/z	Relative Intensity
51.06229	2.4
55.01862	6.1
57.03437	7.7
59.01380	39.4
61.98835	2.9
67.77215	2.0
68.99837	2.2
69.03451	4.2
71.01382	80.0
71.05012	3.8
71.19423	2.3
71.45363	2.2
72.99295	5.9
73.02937	30.3
78.91888	25.3
78.95918	2.3
80.91677	24.8
81.88319	2.1
83.01398	10.7
85.02959	40.3
87.00863	3.1
89.02460	17.5
91.81938	2.0
95.01375	7.6
99.00899	12.9
99.92561	4.6
101.02450	55.4
101.82471	2.3
111.00787	2.3
113.02448	35.2
116.14698	2.3
119.03504	7.4
123.89187	2.1
133.26225	2.0
135.08105	2.8
137.01306	2.2
137.09712	5.4
155.10783	19.1
159.03001	6.6
161.04514	22.2
161.51741	2.2
179.10811	6.2
191.01216	2.1
191.99652	6.5
197.11844	20.0
236.24345	2.0
241.10754	2.3
247.29985	2.4
292.59396	1.9
296.75613	2.2
317.21298	2.4
319.22717	7.6
361.20105	5.1
453.24588	3.0
461.97952	8.1
497.28223	100.0
498.28183	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	497.2753
Annotation	Virescenoside N
Peak:m/z	Relative Intensity
55.01878	1.5
57.03439	1.2
58.00589	0.8
59.01382	19.2
61.98828	0.4
69.03445	0.9
71.01385	18.4
71.05032	0.5
71.53765	0.3
71.54169	0.5
72.99305	1.2
73.02937	3.9
74.34312	0.3
83.01376	2.7
85.02451	0.5
85.02953	8.4
85.06555	0.3
87.00883	0.8
89.02450	6.0
93.03458	0.3
94.62776	0.3
95.01401	1.8
96.43447	0.3
96.52942	0.3
99.00886	2.2
99.04520	7.8
100.04861	0.4
101.01796	0.5
101.02444	9.0
111.00903	0.5
111.08199	0.7
113.02454	5.8
119.03516	2.2
129.01935	0.4
161.04546	1.3
191.05638	0.4
191.14267	0.5
235.13412	0.6
246.78163	0.4
279.28146	0.4
317.21176	0.6
319.22809	5.4
329.23386	0.3
335.22198	1.5
374.75836	0.4
404.54785	0.3
479.26465	0.5
497.27551	100.0
498.27921	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	497.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81906	0.3
55.01888	1.5
57.03449	2.1
58.00576	1.0
59.01381	17.7
61.98822	1.1
63.21166	0.3
63.48445	0.3
67.01884	0.3
69.37216	1.0
69.37642	1.3
71.01383	19.7
71.05023	0.3
72.01714	0.5
72.99300	1.4
73.02947	5.7
74.72648	0.3
75.00864	0.5
83.01398	3.3
83.05016	0.5
84.02129	0.3
85.02952	9.1
86.00079	0.5
87.00856	1.0
89.02447	6.9
95.01395	2.0
97.02937	0.4
97.06573	0.9
99.00854	2.1
99.04518	6.4
101.02444	11.5
113.02453	6.9
114.86217	0.3
119.03490	2.0
123.08268	0.3
129.01945	1.1
133.21297	0.3
146.31235	0.3
151.11195	0.4
159.02988	0.4
161.04565	1.1
167.10760	2.8
176.27312	0.3
190.81923	0.3
191.05508	0.6
252.75691	0.3
317.21231	0.4
319.22775	4.0
335.22021	1.5
497.27554	100.0
498.27911	13.6
498.35284	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2756
Annotation	Virescenoside N
Peak:m/z	Relative Intensity
55.01877	2.3
57.03443	1.4
58.00599	1.1
59.01379	20.6
61.98828	5.7
68.99840	0.5
69.03436	0.7
69.86051	2.9
71.01379	22.9
71.05027	0.6
72.99306	1.3
73.02951	5.5
75.00858	0.6
83.01390	2.8
83.05032	1.9
84.47785	0.6
85.02950	11.2
87.00880	1.3
89.02449	6.6
93.03454	1.8
95.01412	1.7
97.02915	0.7
99.00877	4.3
99.04507	3.8
101.02442	12.7
111.00933	0.6
113.02449	8.0
119.03520	1.8
119.08632	2.8
129.01935	0.7
135.04524	0.9
137.09715	6.0
153.09138	0.6
161.04570	2.3
163.11148	0.6
171.10260	0.5
173.04553	1.0
181.08702	2.2
191.05673	1.3
197.08202	0.8
201.76755	0.6
225.11362	0.7
266.96719	0.6
299.20657	0.7
301.21869	0.8
303.21732	0.6
319.22757	6.2
335.22092	1.3
372.38800	0.6
479.26602	4.6
497.27570	100.0
498.27972	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	496.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39573	0.7
59.01380	1.2
61.98829	100.0
62.89627	0.6
63.96009	0.7
69.42363	3.8
69.42775	1.6
86.71599	0.6
98.19875	1.2
126.05600	1.1
271.22876	1.3
433.27994	11.0
434.28339	1.1
453.26761	1.6
497.25983	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64542	1.9
55.01863	2.0
57.03444	2.1
58.00570	1.8
59.01379	57.3
59.49117	1.8
61.98544	1.8
61.98836	23.8
70.26399	4.6
71.01379	65.1
72.99271	2.4
73.02936	13.9
83.01366	6.8
85.02947	20.7
85.06589	1.9
85.32635	1.7
86.48209	1.7
87.00874	5.0
89.02442	46.8
93.03436	3.5
95.01353	3.0
96.96056	2.1
99.00877	5.8
101.02434	36.3
109.85719	1.8
111.00867	7.8
111.04511	2.2
113.02460	20.8
114.05569	2.6
117.52119	1.7
119.03471	4.1
125.02418	8.6
131.03510	18.9
135.04506	30.4
143.10744	6.5
143.46477	2.5
149.04573	16.9
159.02966	3.4
161.02443	4.2
161.04556	11.8
173.04469	3.0
179.03476	31.0
191.05566	8.0
201.11316	13.9
223.06090	4.4
293.08743	8.7
305.16019	24.9
306.16098	2.8
335.07779	16.6
368.44357	2.1
437.20251	100.0
438.20529	8.1
449.04434	1.9
463.73807	2.3
497.12997	5.5
497.22195	19.4
498.23007	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	496.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51334	0.3
59.01376	1.3
60.81375	0.3
61.98829	100.0
68.86934	0.3
69.48412	2.2
69.97486	0.3
71.01379	0.8
79.14697	0.4
85.02995	0.5
93.03491	0.7
101.02472	0.7
104.52753	0.4
109.36214	0.3
111.00896	0.9
111.28946	0.4
120.01267	0.7
173.04538	0.5
191.05640	1.1
192.05745	0.3
282.96631	0.3
297.92508	0.4
299.18790	1.0
351.02176	0.3
375.20416	0.7
381.25824	0.3
387.89453	0.3
389.02939	0.3
477.44885	0.3
496.31656	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33940	2.6
61.98817	4.9
71.54171	2.8
74.82212	2.2
78.95907	60.6
94.28322	2.4
96.96947	6.7
100.47910	2.1
119.80864	2.4
152.99582	100.0
225.72099	2.1
242.91245	2.6
336.33261	2.1
433.23633	30.8
434.23767	5.3
438.67160	2.3
455.16315	2.7
501.26480	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	496.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53745	0.2
59.01378	1.4
61.98830	100.0
71.01388	0.9
71.54342	0.3
78.95902	0.6
83.05019	0.3
85.02963	0.5
86.12788	0.3
89.02448	0.5
90.03223	0.2
93.03427	0.3
101.02460	0.8
113.02495	0.4
114.05614	0.5
120.01242	1.4
123.04510	0.3
129.26636	0.3
152.01196	0.3
167.03496	0.4
173.04604	0.3
191.05624	0.6
210.06746	0.3
245.25024	0.3
259.15524	0.4
283.03375	0.2
299.18835	0.4
375.20340	0.9
452.68692	0.3
495.32077	0.5
496.31702	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
60.20628	1.5
61.98833	100.0
71.54479	2.9
78.95903	2.8
86.10680	1.5
93.97127	1.5
116.71605	1.6
145.02928	5.3
152.99628	2.3
225.81105	1.6
353.96036	1.9
431.24377	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2601
Annotation	Melissoidesin D
Peak:m/z	Relative Intensity
54.16349	0.9
55.01883	1.0
57.03444	1.7
58.00600	0.8
59.01379	100.0
59.11355	0.9
61.98830	4.7
69.17363	6.6
69.17766	2.2
71.01380	37.2
72.99332	1.2
73.02953	7.8
78.95914	1.5
83.01395	3.5
85.02940	11.2
87.00880	2.1
89.02451	14.6
95.01385	4.4
97.02971	1.3
99.00852	1.7
101.02444	13.7
113.02453	24.0
119.03537	4.5
125.06087	1.8
131.03511	0.9
131.04469	0.9
136.05235	2.0
143.03455	1.8
149.06108	2.0
151.07640	12.7
152.08426	12.2
152.99561	3.4
161.04547	4.3
165.09242	1.0
178.09985	0.9
179.05614	2.1
182.10629	0.8
193.15076	1.0
203.10765	5.1
215.10844	0.9
217.12370	2.9
218.13141	1.1
259.16837	0.9
273.18704	4.8
291.19595	4.5
333.20779	1.7
387.21350	0.9
417.23016	3.4
420.21600	1.1
435.23868	54.9
436.24304	5.2
453.24930	21.4
453.31274	1.0
454.25110	1.9
477.25082	0.9
478.46945	0.9
495.25977	24.6
496.26245	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	494.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	6.8
62.29450	1.7
65.57581	1.8
71.54256	1.9
75.12350	1.8
78.95908	46.0
96.96961	3.9
102.90176	1.7
137.41707	1.7
152.99590	100.0
153.75142	1.9
171.00655	5.2
215.09138	1.8
431.22025	18.3
432.22235	2.3
519.02234	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	494.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67947	0.3
59.01379	3.4
60.01698	0.5
61.98830	100.0
64.46597	0.4
69.62298	1.6
69.62710	0.9
71.01385	1.0
74.70061	0.4
88.04060	0.5
88.98781	0.6
89.02450	1.2
101.02485	0.8
107.73807	0.4
123.38176	0.4
131.07162	1.6
133.60983	0.4
143.04671	1.8
144.45883	0.4
161.04529	0.4
164.67999	0.4
190.15646	0.4
192.01443	0.4
210.33461	0.4
270.09863	0.6
306.09351	0.7
310.72409	0.4
340.00189	0.4
434.24692	1.4
490.49728	0.5
494.19992	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.2
57.03436	0.8
59.01379	23.8
59.43412	0.4
61.98824	6.1
69.03468	0.5
69.38769	2.7
71.01383	7.9
72.99302	0.8
73.02938	2.8
74.52597	0.4
83.01377	2.1
85.02956	3.8
86.00105	0.5
87.00858	0.8
89.02448	1.5
90.15768	0.4
94.81916	0.4
95.01389	0.9
97.02936	0.6
99.00894	0.9
101.02459	5.9
111.00896	1.3
111.07544	0.4
111.82399	0.4
112.88471	0.3
113.02445	2.7
119.03476	0.4
125.02457	0.6
127.11288	1.3
129.01938	0.4
139.36984	0.4
157.12375	0.6
161.04564	0.4
171.10260	0.5
191.05573	1.1
271.22662	0.5
277.20737	0.4
295.22690	0.6
313.23801	2.2
329.23331	1.0
331.24872	14.2
332.25278	1.0
349.44458	0.5
433.27859	1.6
475.29144	4.6
493.30182	100.0
494.30606	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	493.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.1
57.03458	0.7
58.00605	0.6
59.01379	25.4
61.98529	0.5
61.98830	4.3
69.03463	0.4
71.01379	7.5
72.99287	0.5
73.02944	3.4
83.01372	2.1
85.02950	4.6
86.00109	0.5
87.00866	0.8
89.02465	1.0
95.01384	1.2
99.00874	1.3
101.02448	6.7
111.00911	0.8
113.02453	2.7
125.02451	0.8
127.11265	1.1
143.10727	0.5
157.12349	0.7
161.04556	0.7
172.99219	0.3
187.13344	0.4
191.05614	0.8
265.63693	0.3
294.17493	0.4
295.22815	0.6
313.23727	2.0
329.23346	1.0
331.24878	14.1
332.25259	1.2
433.28098	1.3
475.29340	3.8
476.29498	0.4
493.30185	100.0
494.30505	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	493.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.0
58.00610	1.0
59.01379	97.1
60.01703	1.2
61.98830	82.1
68.95358	1.0
69.03440	1.1
71.01384	34.0
71.51905	1.4
72.99294	1.3
73.02940	8.6
74.02475	1.3
75.00877	7.7
78.95892	1.9
82.41563	1.0
83.01405	4.2
85.02957	15.0
87.00877	4.1
88.98807	2.8
89.02450	11.6
93.03459	1.1
95.01376	2.4
96.95983	2.0
97.60979	0.9
99.00884	3.9
101.02447	25.7
111.00835	1.1
113.02437	14.5
115.00358	1.2
119.03494	4.5
120.01242	2.0
120.69071	1.3
127.05116	1.4
128.03514	4.8
129.01961	1.4
130.08794	1.2
131.03519	1.0
143.03487	2.5
153.09181	1.4
159.03017	2.9
159.50127	1.2
161.04547	17.2
173.04620	1.5
179.05614	2.4
191.05603	2.0
205.03555	1.2
216.92105	1.0
271.19159	3.6
433.24377	100.0
434.24744	10.0
493.12103	1.3
493.19016	4.1
493.26477	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	493.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.1
58.48705	0.7
59.01380	100.0
61.98813	3.7
71.01376	18.8
71.11022	1.5
73.02950	4.8
74.20906	0.7
78.91882	1.3
78.95890	2.1
83.01378	2.7
85.02957	8.2
89.02444	3.7
95.01371	1.5
99.00868	2.2
101.02444	7.6
103.21173	0.9
105.84962	0.8
113.02457	7.0
119.03471	1.8
123.08123	0.7
132.52814	0.9
137.23068	0.7
143.03510	0.9
161.04527	3.2
163.30750	0.8
192.09752	0.8
201.96153	1.3
214.32663	0.8
236.95747	0.9
238.66553	0.8
258.86020	1.0
268.47186	0.8
289.21683	1.6
348.13528	2.3
407.15112	1.2
433.25916	6.0
444.86639	0.9
451.27045	15.1
493.27240	2.2
493.33603	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18177	1.8
57.03430	1.9
59.01381	75.1
61.14579	2.0
61.98832	84.1
64.91940	1.7
69.19267	19.0
69.28963	1.6
71.01382	33.5
72.99293	3.1
73.02930	7.7
73.37569	1.7
74.02479	2.2
75.00882	2.2
77.96425	1.9
83.01379	2.3
85.02941	13.9
87.00881	5.4
88.04038	2.4
88.98802	3.7
89.02438	31.5
95.01356	3.2
96.00950	2.2
99.00868	3.0
101.02444	26.9
106.76501	1.8
113.02460	20.6
113.03590	2.5
119.03522	10.5
127.05097	2.0
128.03526	6.6
131.07143	6.1
143.03502	3.6
159.03108	2.1
161.04564	16.5
165.99829	1.6
179.05632	8.6
191.05573	3.0
200.36978	2.0
202.79378	1.7
243.11388	2.9
263.64935	2.2
267.07236	5.0
269.09363	6.0
271.19107	8.6
287.10236	2.9
291.09689	2.3
331.60876	1.7
338.81253	1.8
347.32040	1.8
433.24396	100.0
434.24704	8.7
493.18921	6.9
493.24451	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	493.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43330	0.5
55.01873	0.6
57.03422	0.5
59.01381	100.0
60.01715	0.8
61.98830	23.0
69.82898	2.4
70.67583	0.5
71.01384	8.1
72.99307	0.8
73.02956	1.7
75.00865	0.8
78.62121	0.5
83.01382	1.1
85.02943	2.8
87.00889	1.0
87.48941	0.6
88.04055	0.4
88.98833	0.8
89.02466	3.6
90.42553	0.5
93.03489	0.6
95.01405	0.9
96.96046	0.6
99.00875	0.8
101.02451	5.9
108.59438	0.5
113.02441	4.3
119.03500	1.5
124.27695	0.5
128.03586	2.0
130.08815	0.5
143.03502	0.9
149.61957	0.6
159.03049	0.6
161.04546	5.1
177.38687	0.5
179.05751	1.2
181.81770	0.5
191.05495	0.5
243.11475	1.3
267.07150	0.7
269.09433	1.5
271.19241	1.9
331.09653	0.7
433.24402	27.8
434.25034	2.6
477.23596	1.1
482.25595	0.6
493.19696	1.8
493.26929	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79370	0.5
59.01376	0.9
71.10096	1.1
78.95904	15.6
82.06193	0.5
120.96979	2.9
138.98006	4.4
144.75792	0.6
152.99576	13.3
166.13005	0.5
195.00667	5.2
213.01694	7.2
231.02251	0.5
279.23273	100.0
280.23660	8.6
282.08499	0.7
288.74188	0.7
318.68683	0.6
349.01581	0.6
433.23978	0.6
471.72485	0.6
475.24612	28.6
476.25034	3.4
493.25595	6.7
494.25836	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75686	1.0
57.03444	1.3
59.01378	34.1
61.98830	100.0
69.64788	6.9
71.01385	24.4
72.99304	2.8
73.02946	4.7
75.00877	2.0
83.01405	4.0
85.02960	9.5
87.00871	2.0
87.98386	1.1
88.04077	1.2
89.02442	18.2
93.03456	2.0
95.01389	1.8
96.95997	3.4
101.02444	18.2
113.02434	9.1
119.03494	6.8
121.02954	5.1
125.02438	1.2
129.10365	1.3
131.03481	1.4
133.25621	1.1
134.06143	1.7
142.29190	1.1
143.03487	2.7
149.04480	1.1
161.04556	7.4
179.05620	4.3
186.12358	1.8
191.05571	2.4
253.18071	1.2
268.03766	3.8
269.04599	1.5
271.19092	1.8
318.43167	1.1
331.17676	3.2
421.24118	1.4
431.09842	3.2
433.24432	17.3
434.24838	1.6
493.16617	6.9
493.23611	10.0
493.29224	1.7
494.23312	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	493.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
57.03440	2.3
59.01379	32.4
61.98531	1.1
61.98833	15.0
70.24155	0.7
70.37803	2.4
71.01384	11.3
72.99316	3.9
73.02941	2.4
74.02460	0.7
75.00869	7.5
78.95904	1.1
80.91161	0.6
83.01372	1.0
85.02953	10.7
87.00881	4.7
88.98808	1.5
89.02447	4.3
90.31231	0.6
93.03435	0.7
95.01389	2.9
97.02914	0.9
99.00880	8.9
101.02436	1.9
107.05079	0.6
113.02451	10.9
115.00372	2.0
117.01986	0.8
128.03532	1.3
129.01909	1.6
134.95763	0.7
137.09760	0.8
139.11287	12.8
152.99608	1.1
163.11246	1.2
175.02527	1.6
181.12396	5.4
183.10231	10.2
183.11743	0.6
191.05551	1.1
199.13359	1.3
207.10228	1.7
225.11351	4.9
231.05162	0.7
242.21265	0.7
243.12303	4.9
249.06104	3.9
267.07333	0.9
317.16028	4.8
431.19250	3.0
433.16962	3.9
433.24765	0.7
475.18250	4.2
493.19223	100.0
494.19632	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	493.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85579	0.9
57.03442	2.5
59.01379	32.6
61.98828	31.2
71.01005	1.3
71.01380	14.5
71.54950	1.4
72.99321	4.2
73.02928	2.9
75.00867	7.7
75.15958	0.9
83.01380	1.3
85.02957	12.6
87.00869	4.1
89.02432	3.8
93.03442	0.9
95.01383	3.3
96.00898	1.2
99.00888	6.9
99.08366	0.9
101.02422	1.6
113.02446	10.1
115.00335	1.4
117.01936	2.1
123.04514	1.4
139.11285	14.3
139.43022	0.9
152.01199	1.0
155.10745	1.6
161.04544	1.4
164.07159	1.8
167.03462	2.8
175.02449	1.5
181.12364	6.7
183.10274	12.9
199.13321	0.9
210.29372	1.0
225.11302	3.9
231.04997	1.2
243.12309	3.7
249.06143	9.0
267.07169	1.2
279.64462	1.1
297.89154	0.9
299.14993	1.1
317.16013	5.6
359.26459	1.1
414.16522	3.1
431.19089	2.8
433.17014	3.9
433.23801	1.2
434.17276	1.4
475.17984	5.1
493.19193	100.0
494.19565	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	492.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	1.0
59.01367	3.4
61.98830	5.0
68.19937	0.8
69.52379	4.0
71.01379	2.1
78.95905	28.8
84.11080	0.9
89.66577	1.0
98.19867	1.1
113.09741	1.9
115.67993	0.9
122.00128	1.1
128.12836	1.0
129.42603	0.9
140.01202	7.7
152.99579	2.7
171.00648	1.0
171.10242	9.0
179.14273	1.2
195.13879	14.2
196.03772	12.7
214.04816	4.3
233.22696	1.1
277.21701	25.1
278.22131	1.6
293.21265	1.2
294.21460	1.0
295.22763	100.0
296.23120	10.0
492.27295	55.7
493.27814	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	493.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85579	0.9
57.03442	2.5
59.01379	32.6
61.98828	31.2
71.01005	1.3
71.01380	14.5
71.54950	1.4
72.99321	4.2
73.02928	2.9
75.00867	7.7
75.15958	0.9
83.01380	1.3
85.02957	12.6
87.00869	4.1
89.02432	3.8
93.03442	0.9
95.01383	3.3
96.00898	1.2
99.00888	6.9
99.08366	0.9
101.02422	1.6
113.02446	10.1
115.00335	1.4
117.01936	2.1
123.04514	1.4
139.11285	14.3
139.43022	0.9
152.01199	1.0
155.10745	1.6
161.04544	1.4
164.07159	1.8
167.03462	2.8
175.02449	1.5
181.12364	6.7
183.10274	12.9
199.13321	0.9
210.29372	1.0
225.11302	3.9
231.04997	1.2
243.12309	3.7
249.06143	9.0
267.07169	1.2
279.64462	1.1
297.89154	0.9
299.14993	1.1
317.16013	5.6
359.26459	1.1
414.16522	3.1
431.19089	2.8
433.17014	3.9
433.23801	1.2
434.17276	1.4
475.17984	5.1
493.19193	100.0
494.19565	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	491.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
57.16430	0.1
58.00596	0.3
59.01379	3.9
61.98821	0.2
71.01000	0.3
71.01380	3.4
72.99284	0.1
73.02934	0.8
78.95913	0.8
83.01381	0.6
84.90419	0.1
85.02942	0.8
86.00085	0.2
87.00879	0.5
89.02444	2.9
95.01370	0.2
97.02965	0.2
98.19943	0.4
99.00873	0.2
101.02443	3.6
103.04048	0.2
113.02446	1.4
119.03503	0.8
125.02496	0.3
133.05061	0.6
143.03557	0.3
147.34460	0.1
152.99623	0.8
161.04564	1.5
162.26379	0.1
179.05583	0.3
179.85478	0.1
235.08223	1.5
253.09286	11.7
254.09616	0.4
255.23280	100.0
256.23630	7.4
256.26373	0.3
279.23358	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79966	0.3
52.33884	0.3
53.31707	0.4
59.01382	2.5
59.91839	0.3
60.01718	0.6
61.98829	100.0
69.79785	1.7
71.01399	0.7
85.02959	0.7
86.54129	0.4
89.02402	0.5
93.03477	0.4
95.46565	0.4
96.79079	0.3
98.20736	0.4
99.00858	0.5
161.04457	0.4
300.02512	0.6
301.03140	0.6
315.05170	1.0
316.05435	1.7
338.32416	0.4
388.26596	0.4
493.23209	0.5
499.96262	0.4
504.90921	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30939	0.5
59.01367	1.5
61.98817	2.0
68.44730	0.5
69.91557	1.7
78.95902	18.4
92.96408	0.5
96.96963	1.0
98.19899	0.8
98.20499	1.0
113.09712	2.0
114.33549	0.5
115.74987	0.4
119.64801	0.6
140.01195	2.7
152.99556	3.1
171.00632	2.0
179.14400	0.5
181.12213	0.6
195.13901	14.2
196.03790	1.7
196.14279	0.5
202.30513	0.5
214.04852	4.1
226.32964	0.5
277.21710	15.3
278.22003	1.0
284.10181	0.5
291.49576	0.5
295.22772	100.0
296.23090	8.2
344.19910	0.5
344.27856	0.5
410.89294	0.5
429.21704	0.7
465.19644	0.5
492.27328	28.1
493.27765	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.3
58.00579	0.2
59.01376	4.7
61.98824	0.3
71.01376	3.9
72.99297	0.2
73.02942	1.2
78.95932	0.3
83.01378	0.4
85.02955	1.2
87.00883	0.6
89.02435	2.9
91.04000	0.2
95.01370	0.4
99.00888	0.3
101.02435	4.1
113.02443	1.7
115.04006	0.1
119.03465	1.0
125.02408	0.3
131.03458	0.2
133.05060	0.4
143.03508	0.4
149.04489	0.2
149.87222	0.1
152.99609	0.2
156.75613	0.2
161.04559	1.5
179.05615	0.6
185.34131	0.1
186.24623	0.1
235.08209	1.2
237.22148	0.2
237.69643	0.1
253.09280	13.3
254.09471	0.7
255.23268	100.0
256.23621	7.5
256.26343	0.3
269.24762	0.2
279.23212	0.4
358.57803	0.2
432.49139	0.2
495.03867	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	491.2862
Annotation	Bu 2867TF
Peak:m/z	Relative Intensity
53.71252	0.3
55.01864	0.8
57.03446	1.1
59.01382	11.4
61.98816	1.1
69.03471	0.5
69.32233	3.7
71.01379	10.0
72.99316	0.5
73.02947	3.0
83.01391	1.7
85.02948	4.1
85.06557	0.5
85.47800	0.4
87.00874	1.2
88.64365	0.4
89.02441	2.7
95.01369	1.2
99.00889	0.9
101.02438	6.8
111.00852	0.9
113.02441	3.0
115.07601	0.5
119.03474	0.8
122.59794	0.4
125.02331	0.4
125.06074	0.7
145.08701	2.4
159.02979	0.4
171.10338	0.8
182.81673	0.4
183.13896	15.0
184.14236	0.7
195.13899	1.9
293.21182	0.7
298.87387	0.4
311.22226	3.2
329.23346	6.9
330.23553	0.6
453.24695	0.5
455.26361	0.6
473.27509	3.7
491.28574	100.0
492.28879	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	491.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
57.03441	0.4
59.01379	100.0
60.01726	0.9
61.98833	7.7
63.89031	0.3
64.60322	0.3
69.03477	0.5
69.21013	0.3
69.44078	1.8
69.44504	1.0
71.01381	11.1
72.02857	0.3
73.02943	2.8
75.00876	0.7
75.94347	0.3
83.01396	1.1
85.02946	4.3
87.00888	0.4
89.02438	2.5
95.01393	0.9
97.02965	0.4
99.00910	1.4
101.02437	6.9
113.02452	5.3
119.03524	0.8
124.66640	0.4
132.89368	0.3
143.03528	0.7
158.25060	0.3
159.03029	1.1
161.04556	15.3
162.04912	0.4
168.77322	0.3
169.12357	0.4
173.04623	0.3
179.05652	0.4
192.06975	0.4
267.07306	1.2
269.17618	3.8
271.13928	0.4
273.03470	0.5
287.15106	0.3
368.11029	0.4
431.22864	6.0
432.23462	0.6
475.22037	0.5
483.42020	0.4
491.26022	1.9
492.25974	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.9
57.03457	2.0
58.00578	2.9
58.02974	3.1
59.01381	92.7
61.98828	34.3
71.01382	50.9
71.54037	2.0
72.99315	5.0
73.02959	10.3
74.02470	4.5
75.00877	3.7
75.13355	1.9
78.95869	1.9
82.03024	2.1
83.01385	5.0
83.05035	1.9
85.02940	14.7
86.02481	3.4
87.00871	4.0
89.02448	44.7
93.03484	2.6
95.01369	2.6
96.95992	2.7
99.00880	3.6
99.05638	4.0
101.02438	41.2
102.11637	1.8
113.02460	20.1
119.03522	22.1
128.03548	10.7
131.03502	3.2
143.03465	5.0
143.04628	9.9
144.05000	1.9
149.04544	2.1
161.04550	17.7
171.10300	3.3
173.04561	3.2
179.05656	14.3
191.05571	4.4
195.10248	2.5
211.13416	6.8
257.65833	1.9
269.17557	25.0
272.08850	2.8
306.07693	11.2
307.07956	16.7
308.07413	2.8
314.76019	2.1
323.66757	2.0
329.23303	4.7
423.37613	2.1
431.22809	100.0
432.23065	8.3
447.26077	2.7
491.14273	2.9
491.21277	12.5
491.28424	22.1
492.21326	2.5
492.28311	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	491.25
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50911	0.7
52.57338	0.8
55.01876	1.6
59.01381	100.0
61.98828	4.6
69.42233	5.2
69.42645	1.7
70.03000	0.7
71.01382	27.6
73.02952	7.2
83.01383	2.9
85.02954	11.4
87.00886	0.9
89.02449	9.8
95.01389	2.3
96.00909	2.0
98.19964	1.6
99.00890	3.4
100.91259	0.9
101.02450	19.3
104.91956	0.7
113.02451	12.7
113.03564	2.8
119.03486	5.3
143.03500	2.6
159.03018	2.9
161.04552	24.5
169.10078	0.9
179.05553	5.2
188.07536	0.9
225.39017	0.9
251.16547	2.5
263.63208	0.8
269.17520	1.8
311.18933	0.9
370.53555	0.9
380.95581	0.8
405.05533	0.8
431.22849	52.6
432.23410	4.3
440.24463	1.0
457.17218	2.3
491.24646	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2496
Annotation	Lurasidone
Peak:m/z	Relative Intensity
55.01888	1.6
57.03445	0.8
59.01377	100.0
60.01706	1.0
61.98823	2.5
69.03441	0.6
69.26298	1.4
69.26701	4.7
70.63731	0.7
71.01376	26.8
72.99299	1.5
73.02948	5.7
83.01373	3.0
85.02945	11.3
85.03401	1.0
89.02435	9.1
92.52157	0.6
95.01419	1.7
96.29366	0.6
96.80999	0.6
97.02869	0.6
98.20602	1.4
99.00870	4.0
99.04523	1.6
101.02439	15.8
113.02439	11.2
119.03527	2.3
128.03497	1.1
143.03539	1.6
145.06259	0.8
159.02988	3.0
161.04547	24.8
162.04898	0.7
164.07205	0.8
179.05757	1.2
205.03491	0.8
245.24251	0.7
247.53052	0.6
251.16682	1.5
269.17584	3.1
293.94290	0.6
296.76068	0.8
353.19669	0.8
431.22803	65.0
432.23077	7.5
490.30801	0.9
491.25067	3.9
491.31226	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	491.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.2
57.03436	1.5
59.01380	49.2
61.98831	13.6
67.01869	2.0
69.03445	1.7
70.17574	4.2
70.66448	1.0
71.01376	15.5
72.99332	1.5
73.02948	5.5
78.22970	1.1
83.00916	2.3
83.01388	29.3
83.05016	2.7
83.50585	1.2
85.02954	3.2
89.02444	9.2
97.06610	1.7
101.02424	12.7
106.53838	1.0
110.14581	1.2
113.02443	7.5
119.03490	3.8
125.02401	1.2
125.09711	3.5
130.08708	1.5
151.11317	1.1
161.04587	3.6
165.12825	2.2
167.10738	1.6
167.14447	2.2
171.10277	36.7
172.10579	1.2
175.11203	1.6
179.05612	2.5
183.13921	1.6
191.05630	1.2
193.12334	15.2
195.10260	4.1
209.11787	1.4
211.13387	75.2
212.13745	5.0
225.14880	2.4
227.12910	7.1
237.11353	4.5
253.09305	13.9
255.12352	12.2
269.13965	4.8
285.03708	1.5
287.14981	22.4
313.03400	1.9
431.19153	3.5
491.21378	100.0
491.28336	10.7
492.21716	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	491.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05473	1.6
55.01881	2.1
57.03431	2.4
58.00600	1.3
59.01381	100.0
61.98830	53.4
62.12185	1.5
64.35980	1.4
71.01381	42.3
72.99290	2.0
73.02944	12.1
74.02486	2.7
75.00881	3.4
78.95921	1.3
83.01397	6.2
85.02943	18.7
85.76446	1.3
87.00890	2.0
88.98820	4.2
89.02448	21.6
95.01383	3.0
99.00876	6.0
101.02444	32.5
113.02457	15.6
113.03604	1.4
115.00323	2.3
119.03485	5.8
128.03487	2.8
131.03532	18.0
131.04572	1.8
143.03497	2.1
147.82281	1.2
161.04553	26.5
164.03580	1.6
173.04546	3.0
179.05624	4.4
191.05595	3.3
269.17569	3.0
299.11337	49.4
299.14630	3.0
300.11652	2.2
431.15720	5.2
431.22800	39.0
431.28696	1.9
432.23209	3.1
435.52603	1.8
473.37503	1.6
491.17023	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1556
Annotation	Myrciacitrin II
Peak:m/z	Relative Intensity
51.15530	0.6
59.01376	5.4
61.98830	3.4
62.99473	0.5
70.89690	1.1
71.01388	3.0
80.02682	1.3
83.41621	0.5
84.57045	0.6
85.02961	0.7
89.02447	1.8
101.02439	1.7
107.01405	0.7
108.02172	27.0
109.02421	0.6
113.02419	0.8
122.03800	0.9
123.04527	62.6
124.04865	1.7
134.03712	0.7
136.01663	0.7
145.02966	3.9
146.03738	37.5
147.04105	1.9
148.01686	2.0
150.03224	5.8
161.02425	0.6
161.06059	4.7
165.05574	12.5
166.05893	1.2
167.03523	0.6
177.05615	1.2
178.02719	1.6
179.07080	1.0
190.02640	1.4
205.05049	5.0
211.13416	1.2
222.76064	0.7
253.05119	0.6
281.04486	2.1
293.21048	0.8
296.06891	5.1
311.09216	4.4
329.10287	100.0
329.23248	1.8
330.10620	8.7
428.16068	1.0
491.28729	12.4
492.29169	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	491.152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59175	0.8
55.01855	0.8
57.03446	1.2
58.00592	1.0
59.01379	87.5
60.01704	1.2
61.98830	100.0
69.29794	2.4
69.30207	5.0
71.01379	16.0
73.02951	3.5
74.02479	1.1
75.00874	2.7
78.95888	0.8
82.68105	0.8
83.01384	1.3
85.02952	5.1
87.00871	1.8
88.98847	1.3
89.02439	14.9
93.03477	1.0
95.01392	1.3
98.20621	1.6
101.02438	12.4
102.05566	0.9
113.02447	7.5
119.03484	7.1
124.05821	0.9
125.02449	1.7
128.03529	2.8
131.03517	1.0
135.74060	0.9
143.03505	2.4
143.04614	1.6
149.02446	1.5
161.04561	7.5
165.05544	1.2
179.05650	6.3
216.72748	0.8
230.61064	0.9
238.40346	0.9
241.15289	0.9
254.07877	1.4
259.05975	0.9
269.17651	2.0
311.10242	1.1
431.22858	15.3
491.18521	1.6
492.19293	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	491.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52227	0.7
59.01381	58.1
61.98832	100.0
66.79083	0.6
69.66985	4.3
71.01386	8.7
71.63406	0.8
72.16145	0.7
73.02947	2.2
75.00874	0.8
83.01388	1.5
85.02953	2.6
88.98818	1.2
89.02442	7.5
93.03432	0.8
98.20589	1.4
98.44658	0.9
101.02447	5.8
113.02426	3.6
119.03499	3.0
128.03613	1.2
143.03558	1.1
149.02414	0.8
161.04597	5.8
165.05597	0.9
173.04642	0.8
179.05679	1.2
191.05574	1.5
269.17575	2.0
272.09012	0.8
311.10422	1.6
329.11221	1.2
431.22833	7.2
502.88989	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0833
Annotation	6-Methoxykaempferol 3-glucuronide
Peak:m/z	Relative Intensity
55.01875	0.4
56.37843	0.4
57.03455	0.4
58.00587	0.4
59.01382	14.2
60.01719	0.4
61.98537	0.5
61.98833	6.5
64.71871	0.4
65.00327	3.9
69.44536	2.4
70.39789	0.4
71.01008	0.7
71.01385	11.0
72.99300	1.1
73.02939	1.3
75.00867	1.0
82.37667	0.4
83.01374	1.4
85.02946	4.4
87.00870	1.3
89.00339	1.0
89.02453	3.0
91.01897	0.9
93.02934	0.4
93.03462	2.3
95.01368	1.0
97.02958	3.2
99.00888	1.4
101.02432	3.5
103.00373	0.7
107.05021	1.1
108.49589	0.4
109.02949	4.2
113.02447	4.9
115.00359	0.6
119.03522	0.9
121.02959	14.6
122.03230	0.5
139.03964	0.9
149.02425	1.2
149.04539	0.5
149.99586	1.3
151.00359	1.1
153.12863	0.5
161.04539	0.6
163.00368	1.7
165.01933	34.9
166.02307	1.0
167.10785	0.4
173.04439	0.4
175.02457	1.7
190.99881	0.5
191.05621	0.5
193.01419	4.2
199.03914	0.4
200.04805	0.5
201.11383	0.5
206.02165	0.4
207.02985	0.5
226.02718	2.7
227.03380	0.9
228.04179	1.1
243.02968	6.0
244.03531	0.6
254.02252	3.3
255.03009	3.6
256.03568	1.1
259.06216	1.1
269.04568	1.0
271.02478	20.3
272.03137	3.6
287.05606	2.2
297.04068	1.2
299.02002	0.9
300.02747	15.1
301.03113	1.4
311.22403	0.5
315.05103	100.0
316.05435	8.8
329.23117	0.9
359.99536	0.4
375.76508	0.4
384.93924	0.4
427.55826	0.4
473.27380	0.9
490.27530	3.0
491.08401	13.6
491.28497	19.7
492.08563	1.2
492.29004	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	490.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25364	1.3
54.21470	1.2
57.03444	3.2
57.04821	1.1
59.01372	5.3
61.98831	4.6
69.52970	1.1
71.01369	1.5
71.53847	1.9
78.89170	1.3
78.95905	24.1
93.03467	1.3
101.03381	1.3
113.09742	16.0
139.11316	1.5
140.01187	8.4
152.99542	2.3
153.96465	1.5
155.10905	1.5
171.10229	3.0
173.04501	2.0
179.10831	1.7
195.13846	5.0
196.03796	13.1
214.04884	3.6
223.13264	1.6
275.20190	6.2
293.21222	100.0
294.21536	7.6
331.64639	1.4
424.87177	1.3
490.25735	41.7
491.25909	3.7
491.32446	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	490.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13871	0.2
59.01372	0.6
68.01460	0.2
70.58697	0.2
71.54663	0.2
73.15229	0.2
78.95905	6.2
81.47933	0.2
92.10108	0.2
106.86765	0.2
127.10233	0.2
134.87572	0.2
152.99626	1.0
154.02739	1.5
210.05312	1.1
228.06398	2.8
261.22092	0.3
277.21738	1.1
279.23273	100.0
280.23627	8.9
295.73563	0.2
473.23178	0.4
490.29361	7.6
491.29657	0.5
509.76077	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01353	1.0
59.46647	0.3
61.98824	0.6
70.27657	0.3
71.54429	0.4
78.90565	0.3
78.95902	23.6
89.03819	0.3
97.72221	0.3
122.98547	0.3
130.18973	0.3
139.81111	0.3
145.74687	0.2
152.99609	2.9
154.02734	4.1
162.28163	0.3
205.36420	0.3
210.03380	0.6
210.05348	9.9
213.01700	0.3
225.80807	0.3
228.06432	2.6
273.54739	0.3
277.21716	3.3
279.23276	100.0
280.23618	8.1
328.83801	0.3
473.23114	1.2
490.29385	25.6
491.29797	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	489.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.3
59.01376	4.7
61.98823	1.0
71.01376	4.0
71.53023	0.2
72.99300	0.3
73.02936	0.8
78.95908	1.4
83.01389	0.5
83.01957	0.1
85.02943	0.8
86.00079	0.2
87.00849	0.7
87.34834	0.2
89.02438	2.9
95.01373	0.2
99.00890	0.2
101.02438	3.5
113.02453	1.6
117.49814	0.2
119.03510	1.0
119.54399	0.2
119.86962	0.2
125.02396	0.3
133.05019	0.3
143.03450	0.3
151.67731	0.2
152.99562	1.6
157.04942	0.2
161.04506	1.3
164.99103	0.2
179.05568	0.4
219.79164	0.2
235.08238	0.9
235.20456	0.2
253.09293	11.8
253.21704	100.0
254.09616	0.6
254.22050	7.5
279.23291	1.2
409.81250	0.2
431.21912	0.3
490.29245	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.2
57.03455	4.1
58.00584	1.0
59.01382	28.1
61.98838	1.8
69.03439	1.1
69.37665	4.2
71.01382	68.5
72.01718	0.7
72.99304	2.8
73.02944	21.5
75.00882	1.1
83.01383	8.9
85.02949	33.5
86.00113	1.0
86.03297	0.7
87.00877	2.5
89.02446	13.6
95.01384	6.3
97.02952	2.1
99.00887	8.4
101.02441	43.8
102.02758	0.7
111.00893	4.4
113.02454	28.1
115.04052	0.8
119.03508	5.9
125.02431	1.5
129.01950	1.7
134.16251	0.6
141.01909	0.9
143.03476	2.8
159.03011	5.7
161.04538	25.7
179.05583	1.3
193.82745	0.6
205.03549	0.8
216.01134	0.6
257.14859	0.7
276.05530	0.6
293.21259	1.9
297.27878	0.8
309.28149	0.9
327.29010	4.7
440.94766	0.7
459.33405	1.2
471.33429	0.8
486.94797	0.6
487.32730	0.7
489.34329	100.0
490.27112	1.1
490.34598	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	489.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.3
57.03453	2.3
58.00604	1.7
59.01379	46.7
60.01752	1.6
61.98836	8.7
68.69065	1.3
70.97608	3.4
71.01378	21.7
72.99306	2.2
73.02948	2.5
74.02484	1.7
78.03470	1.3
80.23198	1.3
85.02945	9.7
87.00880	2.2
89.02441	18.5
95.01389	2.1
101.02438	11.5
101.23011	1.4
113.02470	7.7
115.38316	1.4
116.02773	1.5
119.03493	5.2
125.09724	1.9
127.11279	2.2
137.09709	5.2
171.10254	18.2
180.46609	1.7
181.12567	1.6
191.05722	1.4
201.11349	6.3
211.13382	4.8
229.14459	3.3
267.19568	1.8
291.19733	2.6
309.20624	4.0
327.21768	36.1
328.22226	2.6
489.27164	100.0
490.27701	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	489.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.0
57.03428	1.2
59.01377	58.7
61.98820	1.6
71.01380	11.9
72.99313	0.8
73.02950	3.8
83.01376	3.0
85.02950	5.5
87.00849	0.8
87.95309	0.6
89.02435	5.8
95.01382	1.1
98.19753	1.0
99.00889	0.7
101.02430	11.4
112.68177	0.5
113.02444	4.1
119.03503	2.5
127.09652	0.6
138.51465	0.7
140.84937	0.6
141.99298	0.5
142.94931	0.5
145.66554	0.6
146.44685	0.6
161.04515	1.6
171.10243	0.6
195.13712	0.7
247.20700	0.8
277.12921	1.6
291.19662	2.3
309.20688	1.5
327.21649	1.6
354.63309	0.6
393.22919	0.8
429.24768	2.2
471.25891	4.9
472.26343	1.1
489.26996	100.0
490.27377	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
57.03428	0.6
59.01380	100.0
60.01699	0.9
61.37336	0.6
61.98836	1.2
65.75375	0.5
66.40429	0.5
71.01382	13.7
71.22912	0.5
71.23252	0.8
73.02946	2.9
78.63113	0.5
83.01397	1.1
85.02948	4.7
89.02445	6.7
95.01382	0.9
99.00908	1.0
100.50366	0.5
101.02432	8.4
106.93848	0.5
111.24580	0.5
113.02438	5.9
119.03515	2.3
143.03508	1.2
159.03023	1.6
161.04549	16.3
162.04970	0.6
165.39044	0.6
179.05656	1.2
219.13930	0.9
249.14830	3.3
267.16031	1.3
399.20175	1.5
429.21240	25.9
430.21484	2.7
489.23624	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	489.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02961	1.6
59.01380	29.7
61.98832	26.5
69.26352	6.9
70.02980	1.8
70.64071	0.7
70.72824	0.6
71.01387	4.1
75.00851	1.2
81.02197	2.2
82.02988	2.0
85.02947	1.2
87.05649	0.8
89.02451	2.7
93.03476	1.0
95.01342	0.8
96.00921	12.4
96.04556	2.2
97.04063	6.2
98.02477	23.1
99.05637	11.7
101.02427	2.1
104.03596	0.6
109.01682	3.2
112.49913	0.6
112.64985	0.6
113.02434	1.3
113.03551	0.9
119.03483	0.8
123.05670	1.7
124.04049	9.5
126.05573	1.3
130.08739	26.7
138.08232	1.4
138.09241	18.2
139.09610	0.9
140.07181	1.8
141.06705	10.3
147.05986	4.2
155.11926	0.7
156.06734	1.3
157.13388	1.4
161.04556	1.0
163.00267	1.0
164.09544	1.0
166.08754	2.5
167.04628	1.4
168.02998	4.8
173.04636	0.8
183.11404	7.4
185.05930	0.8
189.07030	23.2
191.05617	1.6
191.11948	3.2
193.13425	6.8
194.06911	1.4
201.12474	2.4
211.14365	1.4
219.11348	6.3
227.03477	5.7
227.06703	1.7
229.05045	1.6
233.22791	0.7
237.12500	5.0
255.02968	12.9
261.05533	2.9
267.15976	1.6
281.11420	100.0
282.11829	7.2
284.03259	14.6
285.04022	19.0
286.04306	1.0
299.12460	4.3
373.18640	1.8
429.21106	1.0
471.19208	45.2
472.19370	5.0
489.10330	5.7
489.19971	7.1
489.26569	1.1
490.10861	1.2
490.20135	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45249	0.2
59.01355	0.9
61.98820	0.4
69.92021	0.2
71.01376	0.5
78.95901	7.3
124.30083	0.3
127.07570	0.4
130.79210	0.3
152.99547	0.4
154.02730	2.4
205.49332	0.3
209.14926	0.3
210.05370	1.0
228.06403	2.9
233.22751	0.4
277.21710	100.0
278.22046	7.6
488.27817	6.4
488.34650	0.5
489.28333	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73948	0.6
54.67070	0.4
54.95280	0.4
55.97700	0.4
57.03448	0.5
59.01385	7.5
59.36727	0.4
60.01711	0.7
61.93768	0.4
61.98820	0.5
66.04248	0.5
71.01379	4.1
71.09674	1.1
72.01727	0.7
73.02937	1.0
73.15747	0.5
75.00847	0.6
75.25957	0.4
78.95905	27.4
83.05061	0.5
85.02956	1.3
87.00867	0.9
89.02444	3.4
90.02816	0.5
101.02457	3.2
102.02789	0.6
113.02448	1.7
114.02812	0.7
119.03486	0.5
136.01704	0.7
140.87201	0.6
152.99617	2.3
154.02774	3.9
154.90688	0.5
161.04582	1.1
210.05365	11.8
228.06448	3.3
228.61758	0.5
235.08194	0.7
251.20169	35.5
252.20506	60.9
253.09294	7.6
253.20868	2.9
254.09581	5.0
277.21716	100.0
278.22046	8.3
355.99533	0.5
468.40164	0.5
488.27783	26.6
488.33347	1.4
489.27927	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	488.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69171	0.8
54.74368	0.9
58.02955	0.9
59.01383	19.6
60.83050	0.9
61.98830	23.3
64.78388	0.8
71.01376	5.0
71.51369	1.0
73.02949	1.1
73.04063	16.2
74.02472	30.1
84.00928	1.9
85.02960	1.5
85.04080	1.0
87.00885	2.0
87.05659	2.7
88.04043	2.3
88.65614	0.9
89.02454	3.3
93.03474	1.4
96.00915	1.7
96.96029	1.4
98.02502	1.0
101.02464	3.0
102.05655	1.3
104.03546	1.6
112.02770	5.6
112.07687	1.7
113.02477	1.5
113.03620	2.0
114.05665	1.3
115.00386	1.0
115.08781	17.6
118.05120	4.1
119.03522	1.7
119.05041	4.0
120.05367	2.4
121.62878	0.9
125.07191	2.7
125.10878	1.0
127.05183	0.9
127.08797	3.5
128.03569	4.8
128.04445	1.0
129.10370	4.2
130.08752	5.8
132.03065	1.0
138.05586	1.0
138.49045	1.0
139.08795	2.5
140.07162	1.0
141.10399	2.8
143.11890	14.4
145.03012	1.1
151.08798	2.9
153.10364	2.1
154.08736	1.8
154.09898	6.5
155.08263	8.0
161.04549	2.0
163.04047	4.2
164.04326	1.7
165.10371	4.1
168.11464	2.0
169.09837	9.8
169.13496	3.3
172.10916	71.0
173.04527	1.4
173.09346	1.8
173.11313	1.8
179.05627	2.3
183.11345	2.2
184.10896	2.1
186.12489	4.8
187.10875	10.4
191.05621	2.2
192.01262	2.0
198.12552	1.7
200.14026	19.2
201.14444	1.1
209.09326	2.2
211.12093	3.2
216.13622	3.5
225.53598	1.1
226.15656	2.0
229.13037	5.7
230.11499	1.9
236.00317	1.6
242.18753	1.2
244.13005	1.9
267.18469	1.4
281.19931	2.8
299.20883	7.5
342.21698	1.1
343.20035	2.8
356.23169	3.2
373.21072	2.7
377.62280	1.1
380.68506	0.9
382.20782	1.3
382.25058	1.8
387.22574	3.3
400.21957	22.2
401.22391	1.2
426.23898	1.3
429.21332	2.0
429.69861	1.1
432.03970	3.7
444.24609	72.0
445.24771	6.0
453.20032	3.5
470.08551	2.8
470.22546	1.7
488.27472	100.0
489.16299	2.1
489.27997	9.3
498.73285	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53572	2.0
58.00584	2.6
59.01377	100.0
60.01721	2.2
61.98831	21.2
64.98280	2.1
69.69424	13.7
71.01382	57.5
72.99319	4.3
73.02943	10.7
81.81359	2.1
83.01413	2.6
85.02961	11.8
89.02446	75.0
98.20624	4.0
101.02444	37.5
102.93159	2.1
104.65535	2.0
113.02434	11.3
119.03481	7.4
119.17727	2.5
119.40394	2.2
130.08699	6.9
131.03506	23.1
141.06763	2.4
143.03549	2.2
145.06062	2.3
149.04556	47.3
161.04617	3.1
173.04590	4.0
185.68158	2.5
191.05583	13.9
219.31918	2.1
324.16400	3.0
326.10318	3.0
355.20404	3.4
429.21085	5.8
470.22986	4.2
489.23343	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	488.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.1
61.98833	100.0
71.01395	1.1
71.54472	0.4
74.02489	0.5
75.00880	0.9
85.02963	0.8
86.37292	0.3
87.00916	0.3
89.02455	0.8
93.03475	0.6
101.02467	0.9
113.02472	0.5
114.05656	0.5
120.03319	0.3
123.25359	0.3
128.03569	0.6
130.08739	0.4
153.25102	0.3
158.95981	0.3
171.07779	1.0
173.04599	1.0
180.51335	0.3
186.12415	0.4
191.05650	0.8
238.05499	0.5
263.13104	0.7
266.15076	0.4
270.05182	0.4
325.24863	0.3
327.12561	0.4
353.47836	0.3
488.24954	2.2
489.20001	0.7
506.73950	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
55.16868	0.1
57.03443	0.3
58.00599	0.2
59.01381	6.6
69.35761	1.1
71.01382	4.3
72.01702	0.2
73.02945	1.1
75.00867	0.2
78.95924	0.7
81.03484	0.1
83.01382	0.5
83.05015	0.3
85.02950	1.2
87.00864	0.6
89.02443	3.3
95.01375	0.2
99.00881	0.3
101.02440	4.1
101.03103	0.2
113.02438	1.9
119.03494	1.1
133.05052	0.4
143.03493	0.4
152.99594	0.1
161.04535	1.5
166.81729	0.2
171.42299	0.2
179.05626	0.5
210.05330	0.3
233.19093	1.3
233.21216	0.2
235.08171	1.1
246.01321	0.1
251.20146	100.0
252.20479	8.0
253.09273	13.0
254.09630	0.7
277.21689	3.8
363.00076	0.1
487.32669	0.5
488.27899	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.3
58.00587	0.3
59.01381	6.0
61.28128	0.1
61.98834	2.0
69.86869	0.6
71.01003	0.3
71.01381	3.9
72.99316	0.3
73.02940	1.0
83.01376	0.6
83.05020	0.3
85.02952	0.9
87.00874	0.6
89.02444	3.4
91.03993	0.2
95.01382	0.3
99.00861	0.3
101.02445	3.6
113.02460	1.9
119.03507	1.2
129.01979	0.1
131.03491	0.1
133.05070	0.3
143.03488	0.4
161.04565	2.0
179.05621	0.3
190.14362	0.1
224.61510	0.1
233.19080	0.9
235.08212	1.0
251.20151	100.0
252.20482	7.6
253.09279	13.5
254.09613	0.4
284.53357	0.2
487.34436	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.6
57.03447	2.2
58.00593	1.9
59.01380	50.3
61.98830	11.3
65.03966	3.1
66.38486	0.7
67.01879	1.0
71.01384	31.3
72.03777	0.8
72.99316	3.7
73.02962	3.6
74.97702	0.9
83.01408	2.7
83.05024	2.2
85.02951	7.5
87.00890	2.8
89.02441	21.4
93.03494	1.8
95.01399	2.3
95.05055	0.9
95.06524	0.8
96.00879	1.0
98.19775	1.3
99.00886	1.3
101.02444	20.8
107.05033	1.1
109.06655	0.9
111.08176	3.2
113.02458	11.4
114.05687	1.1
117.96291	0.9
119.03490	9.5
119.05012	1.4
127.05068	1.1
130.08760	1.4
133.02989	1.3
135.04547	2.3
137.09764	0.9
141.04225	0.9
143.03496	0.8
145.06181	0.9
149.09746	1.8
157.08713	9.4
161.02518	1.0
161.04590	2.8
161.09781	3.1
161.13431	1.3
163.04057	1.4
163.11250	1.0
173.04645	1.0
179.03571	1.9
179.05634	1.4
181.12373	3.5
183.02934	1.1
187.11345	3.7
189.09264	2.4
191.05667	1.3
195.10234	4.6
199.13370	4.2
205.12422	2.1
219.33960	1.0
221.11887	3.2
222.12668	0.8
237.09843	1.9
249.11348	1.0
265.14536	3.3
289.18256	3.4
290.61960	0.9
307.19070	9.3
308.19492	1.0
325.20264	0.9
341.25070	0.8
374.06335	1.7
469.24670	1.1
487.25705	100.0
488.25925	11.8
488.31363	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2548
Annotation	MR 387B
Peak:m/z	Relative Intensity
57.03427	0.7
58.00587	1.5
59.01381	84.9
60.01706	1.2
61.98832	3.8
71.01382	19.4
72.99325	1.5
73.02940	1.0
76.61956	0.6
83.01379	1.7
85.02964	4.3
85.43906	0.7
87.00893	0.9
89.02449	17.7
93.03478	1.1
95.01382	1.3
101.02451	13.5
103.49255	0.6
105.17387	0.6
105.68896	0.8
113.02459	7.2
119.03509	7.8
131.03531	0.7
143.04601	2.2
173.04547	1.3
177.03354	1.5
179.05594	1.2
193.68532	0.6
307.19193	2.2
311.50943	0.7
469.24295	7.1
470.24490	0.9
487.25467	100.0
488.25845	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	487.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	4.7
59.01381	27.0
59.63453	1.6
61.98816	8.2
69.03464	2.5
69.45451	15.5
70.02981	5.5
71.01383	23.2
73.02930	5.4
74.02456	3.6
78.95905	5.6
80.96521	21.7
82.02979	4.5
83.01381	2.6
84.04568	4.5
85.02959	5.5
87.00887	3.9
87.05648	3.0
89.02450	11.6
93.03454	4.8
94.98064	5.2
95.86842	2.1
96.00919	16.1
96.95997	3.3
96.96980	2.9
97.02959	3.0
98.02467	10.7
98.19927	4.1
101.02441	51.5
102.05606	37.5
109.01682	4.0
111.00910	2.4
113.02456	8.7
113.03581	8.1
114.01973	5.2
114.05587	2.4
115.00368	2.8
115.92103	4.0
119.03508	5.0
122.03687	3.7
125.09734	2.4
127.05141	4.5
128.03539	100.0
129.03850	3.3
129.10336	7.2
130.08740	20.0
131.04605	12.5
132.03064	2.2
138.05745	2.1
138.06866	8.0
138.09247	4.7
139.07701	1.9
139.08762	3.5
140.07182	2.8
146.04585	23.0
151.07655	4.1
152.99580	5.4
153.09213	15.5
153.10266	3.0
155.08311	12.1
159.04526	1.7
161.04489	3.0
163.11273	3.5
164.98550	4.1
166.08704	11.1
171.10318	5.4
171.15051	3.4
173.04544	7.1
179.05609	3.2
180.10284	3.1
186.12457	2.4
191.05583	9.1
197.12952	11.6
205.12329	5.8
206.99654	2.2
207.04094	2.3
207.15112	4.5
215.13948	6.2
225.00755	7.5
225.16039	3.7
235.18094	2.4
241.11957	25.7
242.18710	2.4
243.01472	1.9
243.16948	2.9
259.12970	3.5
263.11389	6.1
299.04456	2.9
323.16083	15.4
339.11743	3.1
340.18747	11.3
354.20447	2.8
357.21335	2.3
358.19623	4.5
372.21359	6.6
408.21103	2.2
427.19730	4.0
443.25839	3.2
452.20361	56.5
453.20709	6.0
469.22989	43.2
470.22107	7.7
487.14981	33.6
487.24460	66.7
488.15189	3.3
488.25177	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00759	0.4
59.42539	0.4
61.98818	0.5
70.93398	1.1
70.93740	0.5
88.04038	53.7
96.96010	0.7
104.11449	0.5
147.08141	2.8
149.09735	1.3
161.09688	1.0
163.11288	3.5
187.11263	2.7
192.08020	0.5
216.75462	0.4
236.52214	0.5
265.12039	0.4
279.13809	1.0
280.14639	1.6
307.17160	1.2
309.22247	2.4
337.21710	100.0
338.22037	11.0
382.27457	0.5
486.26834	10.6
487.27158	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75022	0.7
53.75732	0.7
57.03471	1.3
57.36710	0.7
59.01381	100.0
60.59036	0.8
61.98824	6.5
70.12408	2.5
71.01385	10.5
71.18690	0.7
72.99313	0.8
73.02957	3.0
78.95907	9.9
80.02696	0.9
81.03455	0.9
83.05022	3.5
85.02956	4.0
89.02467	1.6
91.05563	1.3
91.70979	0.9
93.03436	1.1
94.35621	0.8
95.01437	1.0
95.05045	1.0
99.00871	1.1
101.02438	5.7
105.07106	2.1
113.02444	3.8
119.03504	0.7
119.05035	1.0
121.06591	2.2
129.10370	0.7
132.03044	2.1
133.06624	2.3
134.73309	0.7
149.06114	0.8
151.07652	42.7
152.99599	16.2
159.03003	1.0
161.04544	8.9
163.11331	2.7
165.12849	2.0
171.00723	0.8
181.12476	0.9
191.05637	2.2
209.11826	41.2
210.12187	2.5
227.03209	2.0
227.12833	5.5
245.04349	1.0
247.13286	1.8
265.14438	8.0
274.29333	0.8
427.19873	0.8
455.16931	6.9
456.17227	1.0
457.13556	1.1
487.19556	32.4
488.19861	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	486.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01444	1.5
57.01721	1.3
59.01382	13.4
61.98836	13.3
64.00372	1.2
69.95720	6.0
71.01389	26.3
78.95911	2.0
84.04567	1.3
85.02957	2.8
88.04046	4.9
89.02461	4.6
93.03435	3.0
95.34509	1.4
96.99354	1.3
98.19915	1.8
101.02470	3.6
113.02464	1.6
114.01978	12.7
114.05616	3.4
115.00372	35.4
116.07188	4.4
119.04999	1.6
121.02959	3.4
123.04543	1.6
128.03554	3.4
129.10291	1.7
130.08752	5.8
132.03040	32.8
135.04530	3.8
143.11906	2.0
145.02992	2.3
147.04524	3.3
148.05295	5.0
158.01004	4.4
169.12325	1.5
170.65817	1.5
173.04578	4.8
174.03281	2.6
174.04797	1.3
180.04295	1.3
191.05577	12.5
191.07161	10.7
194.05811	1.6
200.14058	2.6
205.24480	1.3
211.04015	1.7
221.05966	1.7
221.15544	1.9
223.07484	2.1
225.05408	1.4
237.05534	1.7
239.07019	7.2
249.05650	3.1
250.06339	2.5
251.07129	11.8
263.07117	3.8
264.07828	2.4
265.05099	2.8
265.14484	5.3
266.05640	1.5
267.06622	40.4
267.09497	2.5
268.07114	6.6
277.08661	2.0
278.09464	2.3
279.06628	29.7
280.07092	3.6
282.09015	30.5
283.09631	5.7
293.08170	4.6
294.08981	22.9
295.09494	3.4
297.11356	35.4
298.11716	1.9
304.06915	1.5
306.08014	4.0
307.08817	1.6
309.07800	1.9
309.11240	9.4
310.07245	15.5
310.10721	2.0
311.07562	2.6
320.09579	2.2
322.07199	13.3
323.08292	5.1
325.09579	7.8
327.12360	5.9
336.08936	2.3
337.09601	8.0
338.10709	7.3
340.12094	8.7
340.15744	1.7
341.10132	14.9
342.10751	1.6
350.14023	3.3
352.11884	10.2
353.10260	35.4
354.10645	3.1
355.76547	1.5
371.11331	4.1
394.12708	2.5
406.13086	5.2
409.11710	5.7
412.13956	10.3
424.14038	28.0
425.14355	2.2
456.12970	7.9
456.24463	4.1
468.13226	4.8
486.14081	100.0
486.25720	7.2
487.14365	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	486.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	15.0
61.98826	19.6
69.74592	1.2
69.74938	6.7
71.01380	24.1
72.01737	1.3
72.99271	1.3
73.02954	1.0
78.95853	1.6
88.04040	27.9
89.02423	2.7
93.03463	2.7
96.00893	1.1
101.02410	3.0
113.02461	1.6
114.01972	13.2
115.00365	30.6
119.03506	1.2
119.04999	1.0
121.02941	1.8
123.04517	1.0
128.03545	3.5
130.08730	1.9
132.03027	100.0
133.03400	1.8
147.04546	5.5
148.05322	6.8
150.03271	1.3
151.07625	4.6
158.00970	5.7
161.04547	2.1
162.03191	1.5
173.04541	2.5
174.03215	2.3
176.04799	3.3
180.04401	1.3
191.05560	3.0
191.07140	12.3
194.05765	2.2
209.11873	3.1
221.06110	2.1
223.07690	2.0
237.05655	1.8
239.07088	5.0
249.05655	2.5
250.06204	1.6
251.07187	5.4
264.07928	1.0
265.04941	2.0
265.14618	1.4
266.06024	1.3
267.06607	34.3
268.07092	4.3
279.06586	12.8
280.07233	1.6
282.08957	22.0
283.09549	4.1
292.06195	1.2
293.04523	1.5
294.05392	1.6
294.08810	9.8
297.11313	23.2
298.11639	2.1
305.33011	1.1
308.06821	2.8
309.07867	1.9
309.11310	2.5
310.07245	4.7
310.10876	1.2
320.09479	1.4
322.07303	5.1
322.10663	1.5
323.09250	5.5
325.09732	3.5
327.12408	3.3
337.09540	2.9
338.10239	4.2
340.11926	3.9
341.10199	9.4
352.11859	7.5
353.10190	15.5
354.10266	1.6
371.11264	8.7
372.11618	1.3
406.13123	1.8
412.14072	4.1
424.14285	7.9
425.14291	1.3
456.12946	24.7
456.27603	1.3
457.13284	3.2
468.12994	4.0
486.14029	63.9
487.13998	8.4
487.20139	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3122
Annotation	Discarine F
Peak:m/z	Relative Intensity
51.61954	0.6
51.79198	0.7
53.27098	0.6
55.01883	6.0
57.03199	0.7
57.03441	4.8
58.00583	1.0
59.01379	28.0
61.98823	1.2
69.03446	0.8
69.66553	4.4
71.01381	100.0
72.01706	1.5
72.99306	2.7
73.02946	28.7
75.00876	2.4
77.59057	0.8
78.91904	3.6
80.91678	24.8
83.01395	11.6
84.02134	1.3
85.02953	45.4
86.03265	0.7
87.00866	4.1
87.04533	3.6
89.02444	14.4
95.01389	8.3
97.02937	1.9
99.00874	14.7
100.01263	0.7
101.02442	55.5
102.02769	0.7
111.00880	3.2
113.02450	41.9
114.02848	0.7
119.03483	4.8
125.02455	1.7
129.01920	2.4
143.03448	4.5
144.94017	1.2
146.93875	11.1
147.94313	0.8
159.02995	10.0
161.04553	45.1
168.00424	0.7
201.96222	1.9
202.96349	0.8
203.96001	21.1
204.96288	3.6
205.03525	1.1
224.03008	1.0
225.02536	1.4
235.20518	0.9
238.76022	0.7
318.02292	0.7
323.25961	2.7
485.31198	56.3
486.31433	9.2
487.68350	0.8
488.72913	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3119
Annotation	Discarine F
Peak:m/z	Relative Intensity
50.50845	0.5
55.01883	3.2
55.88941	0.4
57.03439	2.6
58.00576	1.3
59.01380	27.4
61.98813	1.4
67.43961	0.4
71.01382	32.1
72.99304	1.6
73.02943	7.2
75.00846	0.4
80.91673	0.5
83.00900	0.7
83.01380	5.7
85.02950	14.1
86.00092	1.0
87.00875	1.6
89.02449	10.8
95.01379	3.1
97.02934	0.5
99.00879	2.8
101.02438	20.6
113.02456	12.1
113.72733	0.5
114.02760	0.6
119.03511	4.3
119.24169	0.4
123.87525	0.4
125.02388	0.9
129.01979	0.9
143.03505	0.7
159.02975	1.0
161.04553	3.8
211.96010	0.5
294.37689	0.5
307.26404	2.9
429.17868	0.7
438.10605	0.4
467.30170	0.6
474.29385	0.5
479.71353	0.5
485.31180	100.0
486.31503	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	485.3122
Annotation	Discarine F
Peak:m/z	Relative Intensity
50.07251	0.5
53.69831	0.5
55.01873	3.4
55.25309	0.5
57.03451	3.2
58.00576	0.7
59.01379	18.1
60.01670	0.5
61.98812	1.0
71.01383	31.4
72.01734	0.7
72.99307	1.6
73.02946	13.0
74.71477	0.5
75.00880	0.7
78.95895	0.6
83.01385	7.2
84.74123	0.6
85.02953	19.1
86.00091	1.6
87.00867	2.1
89.02450	3.0
95.01382	3.6
97.02956	1.3
98.19962	2.5
98.20664	1.6
99.00876	5.1
101.02444	24.2
101.03114	1.3
111.00855	1.0
113.02452	11.3
119.03516	1.1
125.02441	0.7
131.22124	0.5
141.01988	0.6
143.03583	0.7
149.99628	0.6
152.99625	1.1
159.02980	1.6
161.04572	6.3
179.05540	0.7
180.03076	0.7
205.35567	0.6
229.04716	0.7
237.22238	0.8
249.18581	45.8
250.18864	3.6
253.09309	7.1
279.26962	1.4
295.22842	1.9
307.26334	0.7
353.15720	0.6
467.29999	1.0
485.31177	100.0
486.31564	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	485.312
Annotation	Discarine F
Peak:m/z	Relative Intensity
55.01880	2.5
57.03444	2.6
58.00576	1.3
59.01379	25.5
70.96605	0.8
70.96963	1.2
71.01382	28.3
72.99301	1.5
73.02946	7.4
83.01395	4.3
85.02947	13.1
86.00110	1.1
87.00869	1.3
89.02448	10.7
95.01394	2.5
99.00877	3.4
101.02445	18.4
111.00884	4.7
113.01618	0.5
113.02451	9.9
113.03252	0.6
119.03503	3.8
125.02476	0.6
129.01932	0.6
133.13309	0.5
159.02957	1.1
161.04514	2.3
239.84869	0.4
300.62531	0.5
305.24661	0.7
307.26450	2.9
323.25952	0.5
439.32144	2.9
475.58887	0.5
485.31219	100.0
486.31555	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3112
Annotation	Discarine F
Peak:m/z	Relative Intensity
55.01868	4.8
57.03439	5.5
58.00594	1.4
59.01382	30.3
60.26299	1.1
60.42535	1.3
65.64806	1.4
69.03436	1.9
71.01383	100.0
71.54082	2.1
72.99314	4.0
73.02945	27.7
73.22871	1.1
75.00872	1.9
83.01387	10.4
85.02954	44.5
87.00873	5.1
87.04520	2.2
89.02449	13.6
91.29839	1.2
95.01381	8.7
97.02946	2.5
98.59371	1.2
99.00892	12.1
101.02446	56.2
111.00881	3.0
113.02457	35.6
119.03529	5.9
125.02424	2.0
129.02072	1.8
143.03513	3.0
159.03020	10.3
161.04558	47.5
205.03552	2.0
220.22667	1.4
323.25980	3.2
362.69272	1.3
481.80713	1.5
485.31207	60.5
486.31525	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	485.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57811	0.6
59.01387	4.0
61.98830	3.1
67.05503	0.6
68.99572	0.6
71.01377	2.9
71.54313	0.8
71.54716	0.8
73.02943	0.8
85.02953	0.7
88.85135	0.6
89.02430	1.1
93.22142	0.7
101.02464	1.6
113.02478	1.3
113.06087	100.0
114.05653	1.5
114.06415	2.1
128.03549	0.6
132.85594	0.7
137.59009	0.7
161.04536	0.8
209.20735	0.6
269.49994	0.6
371.20712	1.4
485.16144	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87368	0.1
55.01870	0.3
57.03447	0.2
58.00595	0.3
59.01379	8.0
69.03436	0.2
70.39364	0.4
71.01382	5.5
72.99284	0.3
73.02943	1.2
75.00893	0.2
78.95900	0.1
80.97048	0.1
81.03451	0.2
83.01399	0.6
83.05009	0.4
85.02953	1.5
87.00870	0.8
89.02448	4.5
89.03008	0.2
91.04031	0.1
95.01379	0.3
97.02964	0.4
97.06605	0.1
99.00885	0.4
101.02449	5.3
103.03995	0.2
113.02448	2.4
119.03515	1.1
125.02454	0.1
133.05112	0.3
141.14989	0.1
143.03485	0.5
152.99583	0.4
157.05054	0.2
161.04529	1.8
171.10262	0.1
177.16557	0.3
179.05573	0.7
205.19571	0.9
231.17517	0.8
235.08257	1.0
247.16997	0.3
249.18585	100.0
250.18929	7.4
253.09279	16.6
254.09583	0.8
295.22800	0.8
305.82651	0.1
485.31641	0.2
509.15897	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	485.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
58.00582	0.2
59.01380	8.2
64.30331	0.1
69.03459	0.2
70.31592	0.3
70.31995	0.3
71.01383	4.9
72.99301	0.3
73.02943	1.0
74.20341	0.1
81.03452	0.1
83.01376	0.5
83.05013	0.4
83.74818	0.1
85.02944	1.2
87.00870	0.5
89.02442	4.3
90.03745	0.1
91.04018	0.2
95.01370	0.4
97.02957	0.1
97.06618	0.1
98.25117	0.1
99.00896	0.2
101.02441	4.7
112.01664	0.1
113.02451	2.2
115.03945	0.2
119.03516	1.2
125.02405	0.3
127.85792	0.1
131.03546	0.2
133.05060	0.4
143.03493	0.5
157.05080	0.2
161.04546	1.9
172.64586	0.1
177.16527	0.2
179.05597	0.7
205.19557	0.8
213.16585	0.1
231.17537	0.7
235.08232	1.0
247.16983	0.3
249.18581	100.0
250.18922	7.7
253.09280	16.3
254.09650	0.5
264.75143	0.1
345.36600	0.1
458.66415	0.1
485.30945	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	485.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99699	0.4
57.03440	1.6
59.01372	1.3
61.98844	0.5
67.01893	3.0
69.94143	1.3
69.94540	1.1
71.01366	0.5
71.57973	0.4
75.00896	0.7
85.02950	1.3
87.00879	6.1
101.02364	0.4
111.00880	100.0
112.01207	2.2
113.02444	0.7
135.02997	0.9
173.00906	6.4
203.95955	0.7
212.24539	0.5
215.19170	0.5
295.22830	2.2
311.22162	1.1
485.24203	0.8
485.31378	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	485.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	0.5
59.01379	33.9
61.98830	3.4
69.17182	6.7
71.01390	4.0
72.99324	1.1
78.95917	1.1
83.01431	0.6
83.05021	0.9
85.02940	2.6
87.00864	1.2
89.02441	3.7
93.03452	2.4
93.27142	0.6
95.01349	1.0
96.96935	1.0
97.33306	0.6
101.02431	3.2
107.05047	0.7
109.02935	1.3
109.06556	0.6
111.04486	1.4
112.93701	0.6
113.02457	3.4
114.05601	0.8
119.03526	0.9
125.06117	3.0
128.03564	4.2
129.10320	1.1
130.08731	1.0
135.04471	0.8
136.05309	1.5
137.02483	0.7
151.00352	1.4
151.07631	2.0
152.08394	1.9
153.09151	0.7
161.04611	1.1
163.07600	1.0
173.04521	2.8
185.09720	1.6
189.09219	1.8
191.05605	3.4
201.12852	8.3
203.10738	5.4
204.11549	15.5
205.11864	1.0
219.13893	19.9
220.14215	0.8
243.13966	1.2
245.11832	3.6
263.12863	100.0
264.13174	7.1
277.14481	1.0
282.11368	2.6
287.12888	3.8
305.13995	5.0
311.11218	0.8
467.15509	2.3
485.17365	1.0
485.25165	1.9
485.30435	2.5
486.29657	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99157	0.2
52.42117	0.2
59.01388	2.2
60.73804	0.3
61.98830	100.0
71.01389	1.0
71.54433	0.3
73.02969	0.3
85.02951	0.6
89.02470	0.7
93.03452	0.4
101.02448	1.0
113.02456	0.6
113.06101	3.3
119.03532	0.3
131.03517	0.2
131.08281	0.3
161.04536	0.3
250.06508	0.3
291.18155	0.4
292.18488	0.8
327.21707	0.3
484.18793	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.6
61.98829	100.0
71.01386	1.4
71.53169	0.4
85.02942	0.5
89.02438	0.6
99.60406	0.3
101.02422	0.8
113.02438	0.5
113.06112	2.3
191.05658	0.4
212.56229	0.4
272.45709	0.4
287.83713	0.4
291.18250	0.5
292.18619	0.8
431.57202	0.4
447.87225	0.4
467.41281	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92770	0.7
59.01361	0.8
59.13490	0.7
61.98831	4.1
67.01864	0.9
69.51843	4.4
71.01387	1.3
71.49356	0.8
75.42204	0.7
87.00887	3.8
93.03475	7.0
98.20655	1.1
108.37086	0.7
110.39613	0.7
111.04554	1.6
113.02451	1.4
137.00656	0.8
146.02545	1.0
150.00136	1.4
163.99397	3.9
164.01736	2.8
165.00183	7.1
167.88016	0.8
173.04538	3.3
177.99690	8.1
190.00842	1.3
191.00473	8.2
191.05611	13.1
192.01251	43.8
193.01575	1.8
204.01227	3.7
205.02016	2.2
229.67290	0.9
248.03860	100.0
249.04195	6.5
260.65244	0.9
274.01846	2.5
292.02863	30.0
293.03168	2.0
343.96405	0.9
448.07004	2.9
449.06937	0.9
466.08109	67.0
467.08508	8.7
485.19006	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	483.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49613	0.4
55.01876	3.2
57.03455	2.1
58.00600	4.7
59.01379	100.0
59.84733	0.4
60.01717	1.0
61.98824	0.8
71.01382	81.0
72.01749	1.0
72.99316	5.2
73.02947	7.5
78.95947	0.5
83.01381	5.2
83.05018	0.5
83.81567	0.5
85.02951	20.4
86.03276	0.6
87.00866	3.3
89.02444	81.8
90.02779	1.0
90.46951	0.5
95.01395	5.7
97.02934	1.0
97.06583	2.8
99.00883	3.3
101.02444	52.9
102.02814	0.7
111.00838	0.7
113.02451	33.2
119.03503	35.9
125.02457	1.3
129.01857	0.5
131.03490	3.8
131.53859	0.4
143.03496	6.1
149.04527	2.1
149.09596	0.6
159.02959	1.8
161.04559	11.2
167.10751	0.8
179.05617	5.4
241.51730	0.5
261.10962	0.4
349.82721	0.5
391.19650	0.5
483.29688	11.4
484.29465	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	483.2963
Annotation	Pubeside B
Peak:m/z	Relative Intensity
55.01878	4.7
57.03448	6.1
58.00597	3.5
59.01380	61.0
60.01714	0.8
61.98822	1.3
68.99036	0.5
69.03452	1.7
71.01382	100.0
71.53458	0.9
72.01717	1.6
72.99308	3.8
73.02950	21.8
73.03360	1.2
74.03287	0.5
74.69626	0.5
75.00876	1.5
78.95947	0.5
81.03454	1.2
83.01387	8.4
83.05023	1.5
84.02196	0.7
85.02950	38.4
86.03305	1.0
87.00875	4.5
89.02444	45.9
90.02796	0.7
95.01389	7.9
96.35359	0.5
97.02945	1.9
98.26020	0.6
99.00889	9.9
99.04525	1.4
101.02445	60.5
102.02789	1.1
111.00886	0.7
113.02448	42.7
114.02782	0.8
119.03502	22.6
125.02465	2.0
129.01942	1.4
131.03526	2.3
136.59975	0.5
143.03488	6.1
149.04570	1.4
159.03003	7.6
161.04549	29.6
162.04916	0.9
166.91483	0.5
168.56308	0.5
179.05614	4.5
182.74127	0.5
205.03540	1.3
235.17120	0.8
270.89816	0.6
321.24271	1.6
382.07169	0.6
397.22266	6.2
398.22592	1.0
424.24295	0.6
465.28558	1.6
483.23169	0.7
483.29626	18.4
484.29889	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
70.04462	1.0
78.95905	7.7
96.96954	0.8
98.20650	0.4
117.31152	0.4
152.99579	15.6
153.00824	0.8
165.93071	0.4
171.00636	1.2
227.03271	3.0
245.04276	1.7
255.23274	100.0
256.23608	7.8
483.27249	30.4
484.27679	3.5
486.92850	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2962
Annotation	Mucronine J
Peak:m/z	Relative Intensity
55.01875	4.5
57.03435	2.9
57.35595	0.8
58.00580	3.3
59.01377	100.0
69.24130	8.1
71.01379	73.0
72.99292	3.2
73.02946	6.2
83.01386	4.6
85.02943	17.6
87.00878	3.7
89.02441	77.1
95.01382	4.3
97.02978	0.9
99.00876	1.9
99.92569	1.3
101.02436	50.3
102.02769	1.1
111.00799	1.4
113.02448	30.9
119.03496	39.2
131.03522	3.4
143.03500	4.7
149.04570	3.1
159.03003	1.6
161.04507	8.5
163.09981	1.0
179.05566	6.9
233.18871	0.8
241.90022	1.1
260.83688	0.8
279.42856	0.9
295.95026	0.9
318.63638	0.9
329.66992	0.8
339.71448	0.9
483.29587	40.2
484.30054	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	482.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51052	17.0
55.01880	23.4
58.02980	20.9
59.01365	87.4
61.98835	43.1
70.99910	32.9
71.00243	22.7
71.01382	51.7
71.83492	18.0
72.87585	18.2
73.02924	52.1
78.91882	53.6
80.91683	93.9
83.01384	64.2
100.04022	28.6
100.18719	22.4
101.02430	72.7
113.02438	21.2
119.03530	29.7
140.03554	47.9
142.05064	100.0
146.93857	45.5
167.11801	20.5
169.01474	21.9
173.11540	18.4
176.62021	22.9
200.05899	19.0
201.96223	50.7
202.07152	22.9
203.95917	95.4
243.19650	84.8
482.25934	35.0
483.29568	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.0
61.98827	8.7
69.86964	1.3
69.87359	2.2
71.01379	1.8
78.95905	57.5
79.95736	2.9
85.02966	1.0
89.02448	1.0
92.85167	0.7
93.03462	2.0
94.98093	0.8
96.96008	100.0
96.96960	97.7
101.02414	0.9
114.05592	1.0
119.05009	2.4
120.05365	1.4
128.03540	1.0
137.02457	1.3
138.02782	0.8
163.03989	2.4
164.04338	2.0
165.04507	1.2
173.04555	1.8
188.39986	0.8
191.05658	5.7
192.01195	1.1
248.03816	1.8
292.03033	0.9
320.08841	0.8
321.08844	1.3
483.14456	1.5
483.20407	1.9
484.27695	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60007	1.4
59.01364	4.4
61.98833	21.7
71.01371	3.9
71.54671	1.9
73.02943	1.3
78.95907	57.1
85.02945	2.1
90.16177	1.1
93.03462	1.5
96.95966	1.4
96.96939	2.5
97.02961	8.3
97.06551	2.7
99.00891	10.4
101.02455	1.8
104.64399	1.2
109.06588	2.2
110.03741	2.9
119.05018	10.8
122.03618	1.2
122.97662	2.6
122.98534	39.5
123.08229	1.6
125.09727	23.3
130.08759	1.3
132.05725	1.5
133.02951	1.3
134.98511	1.4
135.08060	1.5
142.02675	2.8
145.03003	2.1
152.03604	1.6
152.99594	14.4
158.01019	1.2
162.05591	1.7
163.11273	10.0
168.04288	8.1
173.04675	2.1
179.10732	2.2
181.12344	24.3
182.05774	2.3
191.05647	5.5
207.10249	58.2
208.10571	2.7
224.06888	15.1
225.11311	100.0
226.11659	6.1
242.07970	4.4
243.12361	4.5
257.13950	25.7
258.14154	2.6
282.08405	2.3
282.11337	31.7
283.11621	4.2
284.11929	2.2
287.14780	1.5
321.08810	1.3
344.28506	1.4
379.11877	1.7
403.48349	1.3
423.14346	11.2
435.01508	1.4
444.16595	3.6
482.21533	73.0
482.27078	3.3
483.22116	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2806
Annotation	Virescenoside O
Peak:m/z	Relative Intensity
53.48961	0.3
55.01878	1.7
55.16780	0.3
57.03436	1.5
58.00589	0.8
59.01380	19.5
59.33298	0.3
59.98515	0.7
61.98826	1.3
69.03450	0.7
71.01382	21.6
71.54025	0.4
72.99301	1.3
73.02947	5.3
75.00875	0.6
78.95905	0.7
83.01376	2.8
84.02155	0.4
85.02950	12.3
87.00882	1.4
89.02445	8.1
95.01392	1.8
97.02946	0.5
99.00877	3.0
99.04514	1.0
101.02446	12.0
111.00857	0.6
113.02448	8.1
119.03493	3.2
125.02460	0.4
129.01912	1.8
136.68396	0.4
159.02972	0.8
161.04544	1.5
301.21729	0.9
303.23294	10.0
304.23685	1.1
313.62070	0.4
319.22742	4.4
320.23297	0.4
481.28052	100.0
482.28409	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	481.2806
Annotation	CHEBI:68085
Peak:m/z	Relative Intensity
51.12305	0.3
55.01887	2.3
57.03463	2.0
58.00594	0.6
59.01381	14.2
69.03420	0.8
71.01385	18.4
71.22423	0.6
72.99303	1.1
73.02945	5.6
83.01391	3.8
85.02457	0.7
85.02953	11.0
85.09801	0.4
86.00102	0.6
86.95766	0.4
87.00867	0.7
89.02448	4.9
95.01382	2.1
97.05959	0.4
99.00883	2.6
101.01794	0.7
101.02442	10.8
102.02785	0.5
113.02450	7.6
119.03508	1.3
120.52174	0.4
124.12209	0.4
125.02473	0.4
129.01923	1.0
159.02962	0.5
161.04570	1.1
294.96658	0.4
303.23297	9.0
304.23544	1.1
319.22690	1.6
344.59354	0.4
417.73019	0.4
481.28036	100.0
482.28363	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	481.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04541	0.7
55.01873	2.2
57.03423	2.6
59.01114	1.2
59.01384	17.8
69.03452	0.9
71.01382	21.2
71.22326	0.7
71.22661	1.3
72.99311	1.0
73.02950	5.3
81.43735	0.6
83.01370	3.5
85.02939	9.3
85.18531	0.6
87.00851	1.0
89.02457	2.2
95.01376	2.9
98.09332	0.6
99.00874	2.3
101.02448	8.5
113.02452	5.5
161.04510	1.3
228.51546	0.7
303.23248	8.5
304.23575	0.8
319.22763	1.7
481.28040	100.0
482.28442	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	481.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.6
57.03449	1.9
58.00581	0.8
59.01379	17.6
59.98545	0.3
60.12447	0.2
67.09877	0.2
69.03458	0.8
69.25285	1.2
69.25713	0.9
71.01382	18.5
72.99300	0.9
73.02942	5.1
75.00882	0.5
80.91682	0.3
83.01378	3.5
85.02950	9.7
86.00095	0.5
87.00863	0.7
89.01927	0.4
89.02442	5.2
95.01388	2.1
97.02952	0.4
98.20115	1.1
99.00884	2.3
99.04491	0.4
101.02441	10.1
101.03111	0.5
111.00875	0.5
113.02450	6.1
113.66660	0.2
118.23378	0.2
119.03518	1.8
126.72533	0.2
129.01927	1.6
159.03009	0.6
161.04527	0.7
166.69044	0.3
256.10849	0.2
301.21646	0.7
303.23285	10.1
304.23666	0.9
319.22745	3.3
320.23434	0.4
463.26743	0.5
481.28040	100.0
482.28378	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11906	0.4
55.01870	2.7
57.03436	1.9
58.00591	0.9
59.01382	15.7
69.03455	0.8
69.23277	4.0
71.01380	19.7
72.99320	0.8
73.02947	6.1
78.77275	0.5
83.01392	3.3
83.01868	0.5
85.02951	11.2
87.00884	0.8
89.02444	4.6
95.01382	2.6
98.20576	1.3
99.00867	2.6
101.02445	10.7
104.74772	0.4
109.81744	0.4
111.00848	0.4
113.02447	6.7
119.03513	1.1
129.01955	1.3
161.04588	1.0
301.21732	0.7
303.23282	9.6
304.23654	0.7
319.22723	2.3
321.05743	0.4
403.45166	0.5
481.28052	100.0
482.28406	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	481.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
60.89754	1.0
68.39201	1.1
69.51041	8.0
78.95901	47.4
84.41438	1.1
96.96986	2.7
100.68708	1.3
115.55785	1.2
152.99583	49.6
153.00830	2.5
156.89752	1.4
171.00647	13.1
227.03239	4.5
245.04303	100.0
246.04608	3.3
253.21721	67.7
254.22041	4.9
274.17941	1.2
357.72745	1.3
481.25690	33.8
482.25980	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	481.2803
Annotation	Virescenoside O
Peak:m/z	Relative Intensity
55.01871	2.0
57.03439	1.4
58.00583	0.7
59.01379	14.6
59.40715	0.4
71.01381	16.7
72.99299	0.8
73.02939	5.0
73.84631	0.4
73.87372	0.4
78.05110	0.4
80.56309	0.4
82.17766	0.5
83.01392	2.8
83.53141	0.4
85.02950	9.9
87.00886	1.0
89.02448	4.2
95.01382	2.6
98.19967	1.8
98.20660	1.1
99.00873	2.7
101.02444	10.9
113.02442	7.1
119.03457	1.0
129.01900	0.9
159.03062	0.6
161.04599	0.8
301.21713	1.0
303.23279	10.9
304.23709	1.3
319.22836	2.1
328.80252	0.4
441.12793	0.5
454.20773	0.4
481.28049	100.0
482.28381	17.1
487.60840	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.8
55.98298	2.8
57.03429	7.9
59.01382	45.3
60.99298	3.6
61.98832	34.3
67.01883	9.3
69.23380	16.6
69.23804	12.6
71.01380	79.8
72.99285	4.4
73.02947	26.1
78.95892	10.8
80.91687	6.6
81.03463	2.9
83.01400	15.2
83.34199	2.8
85.02938	36.4
87.00863	9.9
89.02423	15.2
93.03461	43.1
95.01389	8.6
97.02956	2.9
98.20650	7.4
99.00879	14.4
101.02442	51.8
111.04485	7.1
113.02467	32.6
125.02451	3.1
127.83997	3.0
129.01953	3.7
134.03729	8.6
152.99565	9.3
159.02858	5.1
161.04539	33.0
173.04547	51.8
192.12308	3.0
216.39595	3.4
233.98225	3.6
289.16547	100.0
290.16748	8.2
421.20752	75.5
422.20834	6.0
449.14221	6.0
481.17065	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	481.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.9
59.01373	2.6
60.99299	4.3
61.98816	0.6
65.03956	0.5
65.07009	0.3
65.19045	0.3
67.01889	10.6
67.15209	0.3
69.03442	3.2
69.40254	0.3
69.80087	1.5
71.01379	4.6
71.97120	0.3
72.29895	0.3
72.51687	0.3
81.03454	2.1
83.05025	2.1
85.02950	1.1
87.00873	13.1
93.03454	79.9
94.03789	2.0
97.06598	1.7
98.20670	0.3
99.00858	1.6
99.04511	0.8
101.02493	0.3
109.02950	1.3
111.00890	0.6
111.04518	12.2
113.02477	1.6
115.04025	0.6
129.01915	1.6
133.02940	1.0
134.03732	19.0
135.04556	2.3
137.02435	4.3
143.03485	0.5
155.03491	5.4
155.10834	0.3
173.04535	100.0
174.04878	3.1
177.01929	0.8
178.02718	3.8
179.03409	0.4
182.82552	0.3
191.05612	0.4
229.51558	0.3
231.10281	0.7
263.07260	0.3
271.48685	0.4
275.09238	1.2
289.16537	0.6
305.46725	0.3
307.11841	7.7
308.12195	0.7
334.97308	0.3
449.14450	7.4
450.14813	0.9
481.17111	27.2
482.17499	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	481.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.6
57.03447	2.9
59.01382	53.3
60.99294	3.0
61.98829	18.1
67.01898	11.2
69.03443	4.2
69.54351	11.3
71.01382	38.5
73.02937	11.5
78.95911	2.0
81.03446	2.3
83.01374	6.0
83.05026	2.6
85.02947	16.2
87.00874	13.2
88.71466	1.7
89.02460	7.3
93.03460	100.0
94.03773	3.1
95.01373	2.7
98.19942	2.0
99.00876	6.1
101.02438	24.0
102.97221	1.6
111.04516	11.4
113.02439	15.8
129.01959	2.6
131.03503	20.1
134.03734	21.1
135.04507	2.1
137.02444	25.2
155.03433	4.3
155.10777	5.9
159.02927	2.2
161.04565	18.0
172.08150	1.8
173.04539	94.2
174.04904	2.4
177.01950	2.3
178.02670	7.2
191.05614	2.6
191.61162	1.5
192.74208	1.8
199.09749	6.7
283.11874	3.2
289.16568	57.9
290.16885	4.4
307.11874	5.1
344.39340	1.7
421.20740	12.7
431.64035	2.0
449.14474	5.0
471.55746	2.2
481.16922	25.5
482.17615	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	481.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.4
58.10727	0.5
59.01388	2.9
60.99307	5.6
61.98819	1.9
63.07551	0.4
63.90686	0.4
65.03966	0.6
67.01891	14.5
68.02226	0.7
69.03461	4.6
71.01378	6.5
71.05020	0.6
73.02955	0.5
81.03461	2.5
83.01376	0.7
83.05018	2.5
85.02946	1.5
87.00876	20.4
89.02439	1.2
93.03458	100.0
94.03800	2.2
96.76630	0.5
99.00887	2.0
99.04519	1.9
101.02422	1.1
106.27302	0.4
106.37565	0.4
109.02959	1.2
111.04523	13.7
112.04861	0.8
113.02433	2.2
119.03484	0.4
121.02930	0.5
123.81461	0.6
129.01936	1.9
133.02963	2.8
134.03748	9.6
135.04564	2.2
137.02431	2.4
139.04037	0.5
143.03485	1.0
152.99696	0.5
155.03493	3.4
156.89671	0.5
173.04550	58.7
174.04910	2.0
177.01872	1.4
178.02710	8.1
179.03378	1.1
191.05602	1.2
275.09210	1.6
308.08972	1.0
350.35587	0.5
351.07144	0.9
352.07965	1.1
449.14499	43.2
450.14886	4.7
481.17093	16.7
481.27652	0.8
482.17474	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	481.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80391	0.6
54.60821	0.6
57.03439	1.6
59.01373	6.1
60.99310	3.4
61.98826	5.0
67.01888	14.3
69.03462	4.5
69.30469	5.6
71.01384	9.4
73.02936	1.1
78.95929	1.4
81.03451	2.9
83.01415	0.8
83.05033	2.5
85.02944	2.2
87.00873	15.4
88.28934	0.6
89.02444	2.3
93.03455	93.8
94.03801	2.5
97.02946	0.9
97.06571	0.8
98.19807	1.3
99.00878	2.4
99.04533	1.7
101.02432	2.1
109.02946	1.7
110.94624	0.7
111.00883	1.2
111.04511	12.6
113.02468	3.8
129.01964	2.1
133.02950	3.4
134.03748	10.6
135.04552	4.9
137.02458	4.6
143.03398	0.7
155.03482	5.2
173.04536	100.0
174.04889	2.9
177.01909	3.6
178.02696	12.1
179.03473	3.1
186.51694	0.6
191.05629	1.8
275.09155	2.8
307.12021	1.2
351.06900	1.0
352.08032	1.1
368.91757	0.7
431.98849	0.8
449.14523	29.7
450.14740	1.8
481.17050	21.3
481.27927	1.7
481.88901	0.8
482.17572	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1352
Annotation	Catalposide
Peak:m/z	Relative Intensity
51.26997	0.5
59.01378	3.3
61.98832	3.7
64.90249	0.5
64.90602	0.4
65.03957	1.1
69.45286	2.8
71.01382	2.4
79.95734	0.6
81.03452	2.1
83.05013	4.5
85.02952	1.2
87.00883	0.5
89.02437	1.4
91.32478	0.5
93.03460	34.8
94.03785	0.7
94.98091	6.5
94.99034	0.5
95.01412	0.7
101.02438	1.3
109.02992	0.7
111.04518	10.7
113.02446	0.7
117.03468	1.6
119.05029	100.0
120.05392	3.3
125.06141	0.5
129.06786	0.5
137.02444	24.0
138.02789	0.7
145.02950	8.0
146.03278	0.7
153.01982	1.0
155.03506	17.2
163.04010	89.2
164.04344	3.6
173.04530	1.5
191.05632	2.5
201.11342	0.9
209.11809	1.9
225.11324	0.8
253.09383	1.0
319.08209	62.8
320.08493	4.4
325.09225	1.6
340.55167	0.5
361.09286	2.3
481.06436	1.1
481.13586	20.4
481.20328	1.7
481.26645	3.6
482.13953	2.9
482.20477	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3092
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
61.98828	22.9
68.10150	0.5
70.18000	0.7
70.18363	1.5
78.95905	19.0
108.05800	0.4
122.00128	0.7
140.01181	5.3
142.54201	0.4
152.99577	1.9
174.11978	0.5
196.03809	11.3
214.04884	2.1
222.66180	0.4
253.21443	0.6
255.23236	0.5
283.26407	100.0
284.26770	9.7
309.08344	0.6
317.13947	0.5
358.81235	0.5
446.18115	0.4
480.30917	27.9
481.31406	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	481.1005
Annotation	Ampelopsin 3'-glucoside
Peak:m/z	Relative Intensity
59.01376	2.7
61.98826	8.2
68.99818	1.4
71.01377	3.8
71.53072	1.5
72.99305	2.3
73.02912	1.0
74.29275	0.9
75.00468	1.7
75.00874	27.3
75.02578	2.6
78.95918	1.4
81.45007	0.9
82.25267	0.9
83.01386	2.5
85.01054	1.3
89.02457	1.3
96.96967	1.4
99.00873	7.2
100.98793	3.1
101.02440	1.0
101.10963	1.0
103.00380	19.7
111.00887	1.7
112.98780	4.6
115.00389	1.8
117.01942	1.9
122.06131	1.0
128.03487	1.8
129.01961	1.9
133.01453	1.5
142.99857	2.3
145.01428	2.6
157.00095	0.9
157.01430	2.8
163.03943	1.3
171.01161	2.0
175.02489	4.0
187.02568	1.4
197.94655	0.9
199.00928	3.1
201.02180	2.5
203.96104	1.1
257.01392	2.1
261.04276	1.3
263.05780	4.2
303.04822	1.1
306.07816	1.5
333.02698	1.9
333.06339	10.4
345.06241	1.7
389.05374	1.5
421.06448	1.7
449.07355	1.9
481.10052	100.0
482.10519	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	480.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.9
61.98827	100.0
64.87904	0.5
69.53644	1.7
69.54070	1.3
70.51265	0.4
71.01394	1.4
83.46422	0.5
85.02963	1.1
89.02439	0.8
96.96023	0.6
100.48076	0.5
101.02473	0.9
101.40682	0.5
106.72593	0.5
191.05547	0.8
289.16541	1.5
335.33847	0.5
350.78827	0.5
421.21152	0.8
480.20126	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69221	0.4
59.01379	2.0
61.98831	100.0
68.33958	0.4
69.44407	1.7
69.44836	1.8
71.01396	2.0
82.99032	0.5
83.01476	0.4
85.02991	0.6
86.83386	0.5
89.02469	1.2
93.03487	1.3
98.36774	0.5
99.00929	0.6
101.02435	0.8
102.33022	0.4
116.92843	0.7
119.05052	1.4
120.01309	0.9
127.00130	0.5
137.02477	1.0
163.04016	1.4
173.04602	1.5
174.00232	1.7
191.05653	1.8
201.96214	0.6
201.99759	0.9
229.02133	0.8
230.02814	4.1
262.05402	11.0
263.05820	1.0
288.09589	1.2
290.07590	0.6
306.04456	4.3
317.10208	0.6
318.10745	1.2
319.08353	0.6
392.20422	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	479.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
64.88098	0.8
69.17813	8.8
78.91915	0.9
78.95898	47.4
79.49097	0.8
96.96957	3.7
127.11263	0.9
149.13306	0.8
152.99582	58.1
153.99893	1.1
170.99278	1.1
171.00642	17.5
204.20027	0.9
227.03215	2.5
245.04300	100.0
246.04533	3.1
251.20145	56.7
252.20471	5.3
279.23209	0.8
280.86530	0.9
287.16946	0.8
316.53262	0.8
450.15845	0.8
479.23987	28.0
479.30334	1.5
480.24551	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	479.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
57.03439	1.5
59.01383	5.4
69.45808	2.8
70.61829	0.4
71.01382	4.4
71.05008	2.1
73.02954	0.6
83.01380	0.6
85.02925	1.1
87.00880	0.6
89.02460	3.7
95.05009	0.5
97.02946	3.5
97.06582	1.4
98.20667	0.8
99.00872	15.1
101.02441	4.5
108.49814	0.5
109.06592	1.1
110.03722	0.7
113.02438	1.8
119.03481	0.7
123.08160	1.5
125.09727	5.3
127.86402	0.6
136.05319	0.8
142.02641	0.6
153.12923	0.5
155.14404	1.0
161.04498	0.9
163.11296	8.9
167.99356	0.5
181.12328	19.3
182.12654	1.2
189.09207	0.6
197.11847	0.8
199.13388	13.8
207.10248	27.1
208.10614	1.8
225.11304	40.8
226.11662	2.7
227.12740	0.6
243.12347	30.5
244.12671	2.5
253.09367	2.9
303.03860	0.7
317.16006	0.9
376.58801	0.6
397.83200	0.4
429.07358	0.5
461.20007	0.9
470.46564	0.5
479.21289	100.0
480.21625	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	478.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
71.54090	0.6
73.88704	0.4
77.42840	0.3
78.95906	9.1
88.37197	0.3
96.98788	0.4
111.72353	0.4
125.09708	0.4
140.01227	2.0
152.99571	1.6
157.81247	0.4
171.00638	1.1
184.81534	0.3
187.09737	0.8
193.82593	0.4
196.03847	0.8
214.04839	3.1
281.24847	100.0
282.25186	9.2
309.20630	0.5
356.81723	0.4
446.27780	0.4
468.87830	0.5
478.29431	10.3
479.29755	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	478.294
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17354	0.4
70.29030	1.0
78.95904	26.6
96.96953	0.6
101.56109	0.4
104.65237	0.4
122.00098	0.8
140.01186	5.4
152.99596	3.6
156.66490	0.5
166.21344	0.4
171.00630	1.6
173.43976	0.4
196.03792	11.6
214.04866	1.9
263.59326	0.5
281.24850	100.0
282.25204	9.4
470.02402	0.4
478.29385	26.7
479.29788	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	479.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
56.34116	0.5
59.01378	3.7
62.64259	0.5
69.88936	1.9
71.01379	4.0
71.05009	2.5
73.04031	0.7
74.95056	0.5
87.00904	0.6
88.04058	1.2
89.02430	2.1
97.02937	3.1
97.06572	1.5
99.00269	1.0
99.00877	14.9
99.06136	0.5
101.02443	2.2
110.03719	0.8
110.55065	0.6
113.02444	1.3
115.00359	2.2
123.08151	1.1
125.09695	5.4
129.10312	0.8
132.03011	1.7
135.08136	0.7
142.02711	0.8
145.10255	0.7
161.04544	0.8
163.11281	7.3
181.12328	16.5
182.12666	1.1
186.12436	2.1
199.13402	12.4
200.13644	1.0
207.10242	28.5
208.10606	1.3
225.11314	41.7
226.11610	2.4
243.12343	32.3
244.12691	2.4
253.09212	1.8
297.58771	0.6
315.18164	1.2
317.16049	1.4
333.19156	1.5
363.20279	2.1
364.18616	3.3
461.20090	1.2
479.21298	100.0
480.21616	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	478.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.7
59.55630	0.5
61.98831	100.0
63.13623	0.5
64.95240	0.6
66.52419	0.5
71.01377	1.4
74.48428	0.5
78.91891	1.7
82.95678	0.5
85.02950	0.8
87.62591	0.5
89.02451	0.9
93.03457	0.5
98.20684	1.3
101.02444	1.2
161.04561	0.8
272.37540	0.6
350.96603	0.9
418.25302	1.0
422.07126	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14523	0.2
55.01879	0.3
59.01377	3.4
60.01726	0.3
60.32154	0.3
61.98830	100.0
62.98558	0.3
70.86903	0.8
71.01382	2.3
71.02501	0.3
72.99315	0.5
73.02940	2.4
75.00874	0.7
85.02947	1.3
87.00880	0.5
88.04035	0.7
88.98809	0.7
89.02448	0.9
98.19676	0.2
99.00881	0.6
101.02437	0.5
106.19785	0.3
113.02421	1.4
115.00398	0.9
128.03548	0.8
130.45776	0.3
132.03004	0.7
151.08858	0.3
163.08795	0.4
168.11447	0.6
173.04568	0.3
174.41876	0.3
185.65228	0.3
191.05780	0.4
197.11929	0.3
198.12227	0.8
199.09789	0.3
199.13626	0.4
204.88989	0.3
207.10373	0.4
225.11346	0.7
249.06133	0.4
266.36597	0.3
267.07266	0.3
306.08008	0.3
315.18182	1.3
323.09897	0.6
333.19330	0.8
334.17941	0.4
338.63083	0.2
342.17685	0.4
349.75385	0.3
363.20398	0.5
461.20428	0.4
473.07764	0.2
478.19925	1.5
479.21039	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	478.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.8
60.33940	0.3
61.98830	100.0
69.47099	1.9
71.01387	1.8
72.99306	0.3
73.02942	2.1
75.00887	0.4
85.02969	1.1
87.00868	0.4
88.04095	0.4
89.02459	1.0
97.02976	0.4
99.00871	0.7
107.01312	0.4
113.02493	1.2
115.00394	0.6
151.08687	0.4
163.37474	0.3
183.77432	0.3
197.11710	0.4
199.13512	0.4
225.11227	0.5
249.06262	0.6
315.18213	0.3
323.09915	0.7
333.19437	0.8
364.18951	0.6
461.20657	0.5
478.20123	0.7
479.21118	5.1
491.78870	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48103	0.3
59.01378	0.3
61.98830	100.0
62.28911	0.3
62.96820	0.2
69.27579	1.9
69.27993	0.6
98.19853	0.5
109.56091	0.2
121.01808	0.3
135.02980	0.7
135.92099	7.2
136.03304	0.4
142.44176	0.3
143.62468	0.3
146.96570	0.3
148.95047	0.3
162.93988	0.3
174.67146	0.3
175.96872	0.3
196.33456	0.3
252.39923	0.3
341.10968	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	75.2
60.25202	4.6
61.98835	8.0
65.84836	5.0
71.01364	9.0
71.53649	6.8
72.77917	4.6
78.95882	4.5
85.02892	4.3
94.34845	4.2
101.02430	5.6
103.34052	4.7
106.59145	4.8
113.02473	5.8
116.04488	4.3
148.85890	5.7
161.53578	4.2
179.37030	4.9
190.08640	4.3
248.31316	4.9
255.23305	100.0
256.23691	5.4
269.24893	34.2
337.15076	4.5
347.31305	5.1
367.48691	5.0
379.82233	4.8
394.87704	5.0
418.46814	5.1
504.58597	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	477.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	2.6
61.98832	1.2
62.96862	0.4
66.37195	0.4
69.02682	0.4
70.92776	0.6
70.93111	0.8
78.95901	11.3
78.96331	0.9
96.96996	1.3
152.99585	17.7
162.54347	0.5
169.21207	0.5
171.00661	1.5
205.19580	1.0
227.03281	2.9
231.17604	1.4
241.92191	0.4
245.04277	2.3
247.16911	0.5
249.18575	100.0
250.18913	8.4
251.20004	2.3
252.20502	4.2
291.90314	0.4
477.22546	24.6
478.22842	2.7
491.57874	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66219	28.6
59.01353	42.4
61.98814	34.1
68.39004	32.0
71.53771	30.3
71.54173	49.6
78.95908	36.4
89.78865	28.1
183.79701	31.2
196.12956	30.6
209.22217	31.0
255.23259	43.4
269.24838	100.0
328.13913	34.1
331.75934	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47257	0.6
57.03388	0.7
59.01375	3.3
61.98822	1.9
63.42559	0.6
65.60696	0.7
65.68769	0.7
67.37531	0.7
70.78859	0.7
71.54567	1.3
78.95908	31.0
79.74666	0.8
96.96957	2.7
110.60420	0.6
113.03403	0.8
134.98643	0.8
140.50696	0.7
152.99582	41.3
171.00664	2.9
205.19608	1.6
219.14383	0.7
219.38385	0.8
227.03253	6.4
245.04204	3.4
249.18593	100.0
250.17079	0.7
250.19031	6.9
251.20135	1.9
251.41966	0.7
252.20462	3.2
301.03571	0.9
373.63654	0.8
385.17780	1.4
446.76389	0.8
477.22552	56.5
477.27975	2.5
478.22845	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	477.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
57.03441	0.8
59.01382	11.8
59.88988	0.5
61.98837	1.9
69.03454	3.4
69.53571	4.2
71.01385	7.2
71.05019	2.0
73.02956	1.3
76.54445	0.5
83.01376	1.2
85.02953	1.6
87.00849	0.8
89.02444	5.6
93.16039	0.6
95.01407	1.0
97.06582	0.7
101.02435	7.4
113.02450	3.5
117.49471	0.5
117.60831	0.5
119.03477	1.4
121.91772	0.6
123.08143	0.7
125.09721	1.4
151.00398	0.8
151.11279	2.5
153.12857	1.7
161.04565	2.4
161.09706	3.4
167.51735	0.5
179.09306	1.0
179.10757	7.5
197.11827	91.3
198.12141	5.2
202.87857	0.6
223.09775	1.2
241.10793	7.0
253.09317	5.0
301.03503	2.6
332.22830	0.6
459.18558	0.7
477.19745	100.0
478.20084	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	477.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38314	0.5
57.03438	0.9
59.01379	5.3
59.13496	0.4
61.98825	1.3
69.03458	2.9
71.01374	3.3
71.03160	0.9
71.05009	1.9
73.02948	0.8
73.04978	0.5
83.05008	0.7
85.02951	0.9
87.00892	0.6
87.04471	0.5
89.02457	2.3
95.01386	0.6
97.02917	0.7
97.06593	0.6
101.02442	3.0
113.02442	1.8
119.03487	0.7
125.09735	1.9
151.11261	1.5
153.12845	1.6
161.04442	0.5
161.09708	2.0
167.45580	0.4
179.10765	6.4
197.11818	94.8
198.12120	4.9
223.09712	1.8
241.10800	10.6
242.11057	0.6
253.09299	3.2
271.10822	1.2
301.03738	0.7
400.92786	0.5
459.18808	1.3
477.19739	100.0
478.20102	11.4
503.67480	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43731	0.6
59.01377	8.6
61.98829	17.1
69.80650	3.7
71.01391	5.5
71.02876	0.6
75.00871	0.7
85.02953	3.4
89.02435	5.0
95.93504	0.6
96.76460	0.6
96.96000	2.1
96.96959	0.8
101.02432	4.1
108.02154	1.1
108.44269	0.6
109.02952	40.1
110.03277	1.0
113.02431	2.5
119.03503	1.9
123.04504	0.7
128.03531	0.8
129.01929	1.3
135.00888	1.0
137.46252	0.6
151.00336	1.1
151.03891	1.0
152.01175	4.7
153.01932	88.9
154.02257	3.1
162.99190	0.7
164.07152	2.7
165.01892	0.8
167.03412	1.2
191.05615	1.2
195.02991	22.7
196.03262	1.1
203.99777	0.7
209.54169	0.7
224.78203	0.8
255.05077	6.1
310.68121	0.7
315.07205	100.0
316.07535	6.5
335.97662	0.9
357.08057	0.8
374.34991	0.6
477.12567	22.2
478.13635	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58905	0.5
54.35389	0.5
59.01382	10.0
61.98829	9.2
69.03459	0.8
69.22411	1.0
69.22816	3.9
71.01382	6.0
71.41759	0.5
72.99275	0.5
73.02964	1.1
83.01392	1.7
85.02953	2.0
87.00868	1.0
88.04063	0.9
89.02437	4.2
95.01414	0.7
97.87799	0.5
101.02455	5.4
107.01393	0.9
109.61015	0.6
113.02473	2.7
115.86432	0.5
119.03485	1.2
125.02395	0.6
125.09712	1.6
125.12225	0.5
130.08681	0.6
130.09601	0.5
142.07094	0.6
151.00375	4.1
151.11246	0.7
161.04539	2.2
161.09711	1.3
171.22766	0.5
175.03992	0.6
178.99835	0.9
179.10762	2.6
183.18996	0.6
197.11841	19.5
198.12143	1.0
199.03999	4.9
201.01936	0.8
203.03403	1.0
206.14578	0.6
212.09578	0.6
215.03493	4.0
225.02072	0.7
226.02716	0.8
227.03574	3.9
227.11935	3.3
229.01419	0.7
241.10747	2.0
242.02159	8.7
243.02975	41.4
244.03337	2.9
253.09349	3.2
255.02931	0.9
257.04538	9.6
258.04785	0.7
270.01682	9.4
271.02457	43.5
271.10815	2.2
272.02957	2.5
285.04056	22.8
285.06714	0.4
286.04745	8.1
299.01971	10.3
300.02725	4.6
301.03467	3.0
314.04318	46.4
315.05002	13.0
316.05649	0.7
351.76215	0.6
357.06192	1.3
417.24707	1.6
433.20526	0.9
477.10364	100.0
477.19702	34.1
478.10727	13.7
478.19943	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	477.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58905	0.5
54.35389	0.5
59.01382	10.0
61.98829	9.2
69.03459	0.8
69.22411	1.0
69.22816	3.9
71.01382	6.0
71.41759	0.5
72.99275	0.5
73.02964	1.1
83.01392	1.7
85.02953	2.0
87.00868	1.0
88.04063	0.9
89.02437	4.2
95.01414	0.7
97.87799	0.5
101.02455	5.4
107.01393	0.9
109.61015	0.6
113.02473	2.7
115.86432	0.5
119.03485	1.2
125.02395	0.6
125.09712	1.6
125.12225	0.5
130.08681	0.6
130.09601	0.5
142.07094	0.6
151.00375	4.1
151.11246	0.7
161.04539	2.2
161.09711	1.3
171.22766	0.5
175.03992	0.6
178.99835	0.9
179.10762	2.6
183.18996	0.6
197.11841	19.5
198.12143	1.0
199.03999	4.9
201.01936	0.8
203.03403	1.0
206.14578	0.6
212.09578	0.6
215.03493	4.0
225.02072	0.7
226.02716	0.8
227.03574	3.9
227.11935	3.3
229.01419	0.7
241.10747	2.0
242.02159	8.7
243.02975	41.4
244.03337	2.9
253.09349	3.2
255.02931	0.9
257.04538	9.6
258.04785	0.7
270.01682	9.4
271.02457	43.5
271.10815	2.2
272.02957	2.5
285.04056	22.8
285.06714	0.4
286.04745	8.1
299.01971	10.3
300.02725	4.6
301.03467	3.0
314.04318	46.4
315.05002	13.0
316.05649	0.7
351.76215	0.6
357.06192	1.3
417.24707	1.6
433.20526	0.9
477.10364	100.0
477.19702	34.1
478.10727	13.7
478.19943	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	477.1035
Annotation	6-Hydroxykaempferol 4'-methyl ether 7-glucoside
Peak:m/z	Relative Intensity
59.01382	4.0
61.98535	0.7
61.98824	8.0
65.00317	1.1
71.01346	1.6
73.02912	0.7
73.68793	0.5
83.01402	0.6
85.02938	0.7
87.00864	0.7
88.09919	0.5
89.02390	0.9
90.88046	0.5
93.03436	0.9
95.95203	1.1
97.02927	1.0
98.19861	1.2
101.02428	1.3
109.02940	2.7
113.02385	0.7
121.02932	3.9
139.03990	0.7
149.02403	0.8
149.99597	0.6
151.00340	2.0
163.00444	1.0
165.01933	12.5
177.12796	1.1
183.13890	0.7
193.01424	2.9
199.03983	2.7
201.01820	0.7
203.03445	0.7
203.10712	1.0
215.03445	1.7
221.11778	0.8
226.02675	2.2
227.03506	4.2
243.03012	7.5
248.11569	0.5
254.02243	2.1
255.03076	2.6
256.03607	1.0
259.06158	0.8
269.04520	2.3
270.01678	1.2
271.02454	70.5
272.02914	6.6
285.04056	2.8
286.04657	1.0
287.05588	0.9
297.04074	0.9
297.11655	1.8
299.01938	100.0
300.02509	14.9
301.03241	1.6
310.36127	0.6
314.04300	96.3
315.05042	66.8
315.12656	0.7
316.05362	4.9
417.24841	1.6
477.10416	82.4
477.17981	8.4
478.10806	10.3
478.17401	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.0673
Annotation	Quercetin-3-Glucuronide
Peak:m/z	Relative Intensity
50.01677	0.3
51.07323	0.3
59.01373	1.6
63.02395	1.8
65.00320	3.1
70.23693	1.2
70.24037	0.4
71.01390	3.5
75.00871	0.4
83.01389	3.2
85.02959	1.7
87.00859	0.3
91.01894	0.5
93.03443	1.2
95.01396	0.6
99.00903	0.6
103.00349	0.9
107.01390	7.3
109.02955	3.5
110.41477	0.3
113.02431	2.0
113.41019	0.3
114.26772	0.3
119.01399	0.3
121.02145	0.6
121.02957	6.1
122.03307	0.4
125.02463	0.3
132.38084	0.3
135.00914	0.5
136.11685	0.3
139.03960	0.7
141.98938	0.3
147.00908	0.4
149.02403	1.1
151.00366	28.0
152.00710	0.7
159.04468	0.4
161.02541	0.4
161.06026	0.5
163.00374	5.0
164.01041	0.6
169.01416	0.6
171.04460	0.4
173.05995	0.5
175.02498	0.7
175.03989	0.6
178.99849	13.3
183.04469	0.7
185.06056	0.5
187.04008	1.0
190.99953	0.4
192.00717	0.4
193.01427	0.5
197.11882	0.7
199.03949	0.4
201.05534	1.1
203.03517	0.8
211.04027	2.0
213.01944	0.4
217.05127	0.4
227.03561	1.7
228.04272	0.5
229.05042	1.8
239.03445	0.7
243.02925	0.6
245.04474	3.1
255.02960	4.7
256.03659	0.8
257.04492	0.4
266.02173	0.5
271.02454	0.9
273.03998	2.9
283.02417	2.7
284.03049	0.4
300.02780	0.6
301.03522	100.0
302.03873	7.2
477.06729	11.8
477.19458	0.8
478.07248	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	476.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26531	0.1
55.72132	0.2
59.01373	0.4
67.26013	0.1
71.53376	0.2
78.95906	8.3
96.96962	0.3
100.41112	0.1
122.00126	0.3
140.01198	2.4
152.99593	1.3
171.00610	0.6
183.43631	0.1
196.03813	1.3
214.04858	2.8
252.49846	0.2
261.22293	0.4
274.56250	0.2
279.23279	100.0
280.23630	9.1
476.27789	8.5
477.28006	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	476.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05846	0.3
59.01374	0.7
61.98814	0.5
62.96407	0.4
69.36793	0.7
69.37198	1.6
78.95905	52.1
96.96959	2.6
99.11303	0.3
110.02492	0.5
122.00121	0.7
122.98540	0.4
140.01199	5.5
149.74887	0.3
152.99588	7.6
166.02647	0.3
171.00627	6.0
196.03799	11.1
197.04143	0.4
214.04825	2.8
215.95972	0.3
226.34558	0.3
261.22281	0.5
279.23279	100.0
280.23642	8.9
402.24185	0.4
464.63211	0.3
476.27811	43.0
477.28058	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	475.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01739	1.0
60.99266	0.7
61.98830	16.8
66.03534	0.8
69.33096	3.1
69.33521	3.3
71.01382	9.1
73.02954	2.4
73.20071	0.8
85.02944	4.4
87.00887	2.2
88.04071	1.6
88.98823	3.1
89.02454	5.5
93.03453	0.8
96.00919	0.9
98.19904	1.1
99.00880	1.1
101.02433	5.6
113.02451	2.1
114.02063	0.7
131.03513	1.0
139.60834	0.7
159.03191	0.8
161.04550	5.3
173.04553	1.1
179.05663	1.4
184.35388	0.6
191.05731	1.5
198.07808	0.8
200.14914	0.7
311.05588	0.8
415.23459	7.2
475.25125	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	475.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35268	0.5
55.01873	1.0
57.03437	1.0
59.01381	26.0
61.98834	3.2
68.99792	0.5
69.03450	1.0
71.01384	14.9
71.53778	0.9
72.99305	1.9
73.02948	3.6
81.16510	0.5
83.01387	3.2
85.02950	5.7
86.00087	0.7
87.00865	4.4
89.02418	1.6
95.01366	1.2
96.85727	0.5
97.02910	1.0
99.00845	2.0
99.01476	0.4
99.08205	0.5
101.02443	5.6
101.95029	0.5
111.00876	0.7
112.01665	0.5
113.02448	3.4
113.51170	0.5
119.03487	0.6
124.01664	1.0
125.02419	1.2
210.70448	0.4
225.22218	0.7
253.21773	2.8
271.22772	33.7
272.23083	2.5
283.22876	1.0
285.24176	1.0
313.23907	1.0
415.26981	15.3
416.27362	1.4
433.28036	45.5
434.28311	5.3
475.29092	100.0
476.29523	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	475.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01728	0.9
61.98830	11.6
62.42654	0.6
71.01382	9.4
73.02956	2.2
73.72316	0.5
81.34380	0.6
83.01420	1.0
85.02946	4.3
87.00895	0.7
88.70947	0.5
89.02435	3.2
95.01431	0.9
95.51666	0.5
97.02981	0.5
98.19839	1.3
99.00907	1.3
101.02444	6.0
113.02441	4.7
115.00392	0.7
119.03534	1.6
143.03534	0.6
145.02939	1.3
159.03033	1.0
161.04570	6.4
201.07953	0.5
240.04327	1.9
255.06660	0.7
298.08652	1.8
313.10876	3.6
324.55563	0.6
415.23465	12.3
416.23816	1.9
457.24539	1.2
459.22818	1.2
475.18878	0.7
475.25317	7.4
476.25702	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04801	0.7
55.01886	0.7
57.03429	0.8
59.01380	100.0
60.01703	1.1
61.01842	0.6
61.98829	14.5
65.57639	0.7
71.01384	13.6
71.02732	1.5
72.99309	1.0
73.02955	3.7
75.00882	0.6
77.55437	0.7
83.01371	1.1
85.02951	6.4
87.00888	1.3
88.04040	1.7
89.02430	4.4
92.11998	0.8
93.03442	1.6
95.01426	1.0
97.02958	0.6
99.00913	2.6
101.02447	10.7
113.02452	6.2
114.05603	0.7
115.00355	0.7
119.03524	2.1
157.13451	0.8
159.03026	2.3
161.04559	14.3
173.04626	1.9
191.05673	1.0
301.08490	1.3
322.11145	0.7
356.21832	0.8
397.22256	12.6
398.22778	1.2
415.23456	10.7
416.23587	0.9
427.86224	0.7
465.70071	0.7
475.14069	2.2
475.25723	2.3
476.26135	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99824	1.6
59.01371	32.6
59.95950	1.6
60.98757	1.8
60.99304	17.7
61.98810	5.5
65.91609	1.7
70.07415	6.5
71.01373	7.5
73.02942	2.9
85.02945	3.0
86.62819	1.7
87.00854	7.4
88.00376	5.7
88.04018	5.1
88.98803	100.0
89.02440	57.4
89.65189	1.9
89.99135	2.0
98.20615	2.9
101.02431	3.4
107.92589	1.8
112.77891	1.8
113.02415	2.9
128.03519	1.8
138.87466	1.6
161.04475	3.0
165.37601	1.7
169.01759	1.8
169.73941	1.7
179.05629	2.5
270.78964	1.7
433.24362	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	475.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66560	0.6
59.01382	100.0
59.80500	0.5
61.98833	3.8
69.42271	3.8
71.01388	5.2
71.08599	0.5
73.02953	1.5
83.01400	0.9
85.02961	2.1
87.00898	1.0
88.98802	1.2
89.02464	2.6
91.10710	0.5
99.00925	0.5
101.02457	2.9
102.63435	0.6
113.02499	2.1
120.80357	0.5
130.08725	0.5
152.03561	0.6
161.04550	4.5
173.04597	1.2
175.80049	0.5
179.05583	0.7
190.05107	0.5
191.05766	0.9
201.71574	0.5
209.11858	0.6
212.43793	0.6
238.88553	0.5
253.14494	0.7
260.45557	0.6
274.32150	0.5
327.19232	0.8
415.23419	6.1
421.27515	0.6
443.20688	0.9
459.22592	1.2
475.25815	2.8
476.26108	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79976	1.0
52.94923	1.0
55.01893	1.2
59.01381	100.0
60.01726	1.3
61.98839	10.1
64.19205	1.0
70.81812	2.5
71.01382	33.8
71.97193	1.1
72.99314	1.2
73.02948	8.1
74.96690	1.1
81.03477	1.1
83.01392	3.7
85.02950	11.4
87.00885	3.9
89.02448	29.8
95.01384	2.1
99.00870	5.3
101.02448	25.5
111.00881	1.8
113.02451	12.1
113.07155	1.0
115.08790	1.5
119.03492	5.0
121.84364	1.0
125.02436	1.8
131.03502	18.0
143.03494	2.9
149.04561	15.4
159.03029	1.7
161.04584	9.6
162.52466	1.1
179.05592	4.2
191.05638	7.1
233.06610	1.5
283.11893	10.1
293.08896	1.5
341.11710	2.7
415.16052	37.2
415.23315	14.8
416.16293	5.4
457.21072	3.0
458.32080	1.3
476.24698	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	474.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46248	0.3
59.01371	1.3
61.98824	1.2
70.05318	1.6
71.01392	0.4
78.95902	31.3
91.35570	0.3
96.96957	0.6
122.00128	1.2
140.01187	7.1
152.99550	3.6
171.00636	0.9
196.03796	12.7
214.04845	3.0
259.20807	0.7
277.21710	100.0
278.22046	9.6
292.55463	0.4
308.15796	0.3
406.97336	0.5
431.67151	0.3
474.26224	28.5
475.26526	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	475.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79653	0.7
53.82759	0.5
59.01379	41.7
61.65575	0.6
61.98825	4.4
69.18373	6.5
71.01382	4.3
73.02945	1.3
85.02945	1.6
89.02450	2.1
93.03465	0.9
98.19814	1.3
101.02429	1.7
105.85365	0.6
113.02449	1.9
119.03539	1.0
119.04998	0.6
122.24786	0.5
128.03534	1.2
131.07091	1.4
134.03712	0.9
135.04607	1.2
145.02965	1.2
146.03738	32.0
147.04124	1.8
149.06078	1.4
151.03989	1.6
151.09293	0.7
161.04659	1.5
161.06078	12.8
162.06340	0.8
163.04010	1.0
164.04784	22.0
165.05092	1.4
179.07132	100.0
180.07484	4.3
191.05597	1.6
192.06628	1.0
202.05345	0.7
224.10506	0.6
248.03876	0.9
290.11633	0.9
355.08203	1.2
385.09247	1.0
397.96606	0.7
427.88785	0.6
475.26080	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98763	1.0
55.07236	0.8
55.76231	0.9
59.01369	2.1
61.98830	100.0
68.82453	0.9
69.17313	0.9
70.15784	0.9
70.92984	1.0
70.93304	1.7
71.01357	0.9
78.95901	60.1
96.96970	5.0
140.01181	1.1
152.99577	9.8
154.43793	0.9
171.00630	11.1
188.92390	0.8
218.09755	0.9
245.02367	0.9
277.21713	27.0
278.21954	1.8
395.96179	1.0
400.22351	1.0
474.26196	30.4
475.26718	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.6
61.98829	99.9
63.51991	0.9
63.62592	0.9
69.37188	7.6
76.44359	0.9
78.95904	29.6
111.82040	1.2
116.08657	1.0
140.01193	5.9
152.99582	3.2
156.77443	1.0
166.00455	0.9
169.29140	1.1
171.00668	1.0
196.03802	13.9
214.04877	3.5
277.21704	100.0
278.22083	8.6
457.26462	1.2
474.26291	30.9
475.26526	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	474.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.9
61.05507	0.1
62.02827	0.2
65.29286	0.2
71.53775	0.3
78.95901	8.5
96.96999	0.2
122.00122	0.2
122.45179	0.2
140.01195	2.5
152.99548	1.0
171.00618	0.2
196.03835	1.7
205.19635	0.2
214.04845	3.9
214.48415	0.2
233.22879	0.2
259.20648	0.5
275.20038	0.2
277.21707	100.0
278.18948	0.4
278.22034	8.7
284.72400	0.2
474.26227	8.4
475.26651	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	19.4
60.01701	1.3
61.01790	1.0
61.98829	100.0
69.20544	4.8
71.01389	3.1
73.02952	0.8
85.02965	1.0
87.00887	0.9
88.98811	0.6
89.02447	3.6
101.02455	1.6
102.02093	0.5
102.02753	0.6
109.16599	0.7
113.02461	1.5
119.03467	1.3
150.55960	0.6
161.04543	1.4
179.05591	1.1
184.58479	0.5
191.05678	0.7
191.51421	0.6
303.56207	0.5
407.22995	0.6
414.21698	1.3
474.24350	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.5
64.77543	0.9
65.43123	1.0
71.54448	1.8
79.27591	1.0
94.64721	0.9
96.01169	1.0
103.99320	1.0
121.06616	2.8
133.06592	2.0
133.72867	0.9
149.09723	99.3
150.10088	4.8
189.12753	1.2
198.94998	1.0
205.15994	5.8
242.62411	1.1
252.82861	1.0
297.18848	2.3
311.20184	27.1
312.20694	2.1
323.20151	22.5
323.23682	1.6
324.20480	2.4
457.25400	2.2
473.30676	100.0
474.30841	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	474.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66918	0.4
59.01381	8.2
61.98832	100.0
63.46529	0.4
64.60223	0.4
69.74049	2.6
71.01389	2.8
73.02956	0.8
74.73858	0.4
79.85503	0.4
81.36025	0.5
83.01395	0.5
89.02449	1.2
90.79436	0.4
95.03352	0.5
97.80764	0.5
101.02467	1.4
113.02467	1.2
117.25340	0.4
122.87159	0.5
128.03584	0.6
147.10547	0.5
153.73970	0.5
161.04633	0.7
179.05617	0.7
255.49460	0.5
267.07489	0.7
304.66324	0.5
306.22632	0.5
315.05182	0.7
346.69638	0.5
474.24527	0.9
475.22647	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	473.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	1.0
57.03448	0.6
57.37402	0.5
58.00603	1.2
58.98588	0.5
59.01379	79.6
60.01724	0.8
61.89732	0.6
69.71178	3.4
71.01380	17.1
72.99316	1.3
73.02948	1.9
83.01405	1.6
84.28854	0.5
85.02943	4.6
87.00871	0.7
89.02441	10.8
89.02941	0.8
95.01396	1.1
99.00918	0.6
101.02441	12.0
104.75188	0.5
112.81614	0.6
113.02440	6.3
119.03497	4.8
126.83620	0.5
143.03491	0.6
161.04550	1.0
171.10239	0.6
179.05594	0.9
182.72028	0.5
206.06071	0.5
253.32689	0.6
293.21252	1.3
311.22330	1.0
455.26480	7.4
456.27054	1.0
473.27533	100.0
474.27869	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	473.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63935	0.9
53.17302	0.8
57.03447	1.3
57.85385	0.8
58.00591	1.7
59.01382	37.5
61.98812	3.0
71.01012	1.5
71.01383	22.5
71.51916	1.0
72.99310	2.5
73.02946	2.1
83.01384	2.2
85.02955	7.3
89.01929	1.4
89.02445	15.0
95.01376	1.4
101.02435	14.9
113.01685	1.2
113.02441	7.9
119.03521	7.1
139.08121	0.8
179.05588	1.2
293.21136	5.8
311.18649	1.6
311.22162	2.0
358.04437	1.0
386.88446	0.8
455.26416	3.3
456.26843	1.0
473.27551	100.0
474.27795	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	473.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15815	0.3
55.01875	1.5
56.01844	0.4
57.03434	1.0
58.00586	0.6
58.13016	0.3
59.01381	16.6
61.69888	0.3
61.98844	0.4
68.99846	0.4
69.03430	0.5
69.91911	0.3
69.95041	0.7
69.95439	0.8
71.01381	11.0
72.01675	0.4
72.67172	0.4
72.99300	1.1
73.02944	2.7
83.01382	2.5
83.05017	0.4
85.02953	5.8
87.00871	1.4
89.02435	2.9
95.01358	0.9
98.19907	0.4
99.00861	0.8
101.02442	7.4
107.69160	0.4
111.00910	0.9
111.08232	0.4
113.02452	2.7
119.03481	1.0
125.02476	0.6
141.01938	0.3
141.59683	0.4
146.51601	0.4
152.56625	0.3
183.13913	2.6
195.13895	6.5
208.82622	0.4
275.20068	0.8
293.21207	4.5
311.22284	8.1
312.22736	0.8
451.27408	0.4
455.26361	3.0
473.27545	100.0
474.27887	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	473.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49167	0.6
54.80161	0.5
56.50455	0.5
57.03455	1.4
59.01381	100.0
59.07116	0.5
59.57869	0.6
60.01713	0.8
60.12152	0.6
61.98834	11.9
69.50491	4.3
71.01383	11.9
71.05018	0.7
73.02972	1.6
83.01408	1.1
84.98275	0.5
85.02968	3.4
87.00879	0.8
87.04564	0.6
89.02447	13.5
98.20741	0.6
99.00948	0.7
101.02460	5.9
101.06099	2.4
109.06576	0.7
111.27363	0.7
113.02463	4.7
113.06071	2.8
115.07669	2.0
119.03502	5.2
121.52567	0.6
141.01503	0.6
143.03517	1.6
150.76611	0.6
161.04578	3.6
179.05635	3.4
191.05669	1.0
215.94905	0.5
251.16502	7.5
273.07813	1.5
275.95444	0.6
351.33838	0.6
386.99091	0.6
413.22144	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01688	0.9
61.98830	16.1
62.26914	0.7
70.76120	1.0
70.76451	1.7
71.01376	11.4
71.05006	1.1
73.02956	1.0
78.91904	2.1
78.95906	13.9
78.96336	1.4
80.96335	2.7
85.02957	3.4
87.00903	1.5
89.02448	11.9
95.01424	0.7
96.00920	0.9
96.96983	1.7
97.02953	1.1
98.02494	1.1
99.00886	4.0
100.01184	0.8
101.02444	8.8
107.76400	0.9
109.01689	1.6
113.02441	5.2
113.03593	1.9
119.03504	6.1
119.05029	2.7
123.04531	1.2
125.09727	1.4
127.05135	1.9
128.03552	2.2
129.10347	1.5
130.08725	3.5
132.05840	1.6
143.03508	1.7
148.05315	1.5
152.84889	0.7
152.99597	11.7
153.99944	2.8
155.00015	4.9
161.04539	3.2
162.05591	1.2
163.11278	1.2
165.10323	2.1
165.11670	1.0
166.08733	1.6
166.09985	0.7
171.00673	2.2
173.01131	1.1
179.05646	3.5
180.10455	0.8
181.12320	3.5
182.12712	1.4
183.12840	1.5
199.13371	2.3
200.13951	1.3
207.10249	5.8
208.10631	4.5
209.10867	2.8
225.11334	6.6
225.13399	1.2
226.11769	4.7
227.11821	4.7
236.03511	0.9
243.12325	5.5
244.12813	5.3
245.12866	5.8
290.08542	0.7
297.10144	1.1
312.12399	12.2
323.16104	1.6
336.37201	0.9
413.22079	4.3
429.18060	0.8
455.21484	1.7
473.16934	42.1
473.23962	2.2
474.17331	3.1
474.23218	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	473.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23335	1.1
55.01874	1.4
56.90298	1.1
57.03429	1.5
59.01381	100.0
60.01692	1.2
60.08944	1.0
61.98827	7.5
62.34732	1.0
69.25288	7.8
69.25691	2.8
71.01382	13.4
73.02962	5.5
74.02447	1.7
78.95910	26.3
79.95731	1.7
81.62168	1.1
83.01378	2.1
83.05018	2.4
85.02953	5.7
87.00856	2.5
87.18810	1.1
89.02446	4.0
89.41936	1.1
96.06625	1.1
96.95379	2.7
96.96002	43.7
96.96958	21.3
99.00861	2.5
101.02444	10.2
108.02180	10.3
109.01677	1.7
111.00900	1.6
113.02435	4.8
114.05595	2.8
119.03474	1.2
123.04517	3.8
125.09744	1.8
127.11263	3.6
128.03531	4.8
129.10306	1.9
130.08760	6.0
152.01149	15.1
152.99600	18.1
161.04524	11.5
162.03224	47.4
163.03604	2.2
163.11194	1.6
165.10391	1.7
166.08763	1.8
167.03499	34.6
171.00601	2.7
171.10240	1.3
173.04517	1.3
177.05576	62.2
185.08966	1.1
187.10887	1.8
191.05658	1.6
201.11331	37.1
202.11734	2.8
209.11829	29.8
210.12033	1.9
226.11942	2.0
227.03290	1.6
227.12910	5.9
241.12032	1.4
244.13000	4.1
245.13931	2.0
252.83122	1.4
255.09042	1.3
262.80643	1.3
309.14578	2.4
312.12045	1.3
356.07880	1.2
411.22168	1.6
413.21985	5.6
429.23953	2.0
431.22836	2.7
455.16431	9.1
455.22235	1.8
473.17856	46.1
473.24405	2.0
474.18115	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	473.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01712	0.8
61.98826	2.2
70.65343	1.2
71.01376	4.2
73.02946	0.7
84.05721	0.5
85.02962	1.7
88.04050	1.0
89.01988	0.5
89.02448	3.1
93.93044	0.6
96.00936	1.7
99.00922	0.7
101.02466	2.3
102.63116	0.6
104.02241	0.6
104.67973	0.5
108.64440	0.6
113.02438	1.6
119.03497	0.7
128.03535	2.7
129.10358	0.6
130.08749	0.6
132.03096	0.5
161.04546	4.1
166.08792	1.2
207.25648	0.7
225.16113	1.1
231.78609	0.6
304.16644	0.7
310.43304	0.6
323.15982	0.9
339.20050	1.0
358.20023	0.7
395.20743	2.7
413.21866	3.7
438.19263	1.1
455.21487	1.1
473.16528	1.2
473.22977	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	72.7
61.27467	2.3
61.98835	39.2
67.30901	2.5
70.02988	9.9
71.01390	16.1
78.95924	8.5
82.03001	3.1
85.02963	5.8
87.00883	5.9
87.05640	4.8
88.04056	4.9
89.02435	10.0
96.00914	73.9
96.08250	2.8
96.96970	2.8
98.02473	7.2
98.19872	6.3
101.02470	4.8
109.01689	4.4
111.01988	5.2
112.00412	15.9
113.02438	7.8
113.03574	25.2
114.01962	16.7
115.08763	8.1
118.22245	2.8
119.03545	3.5
124.07689	4.4
125.07193	2.7
128.03552	10.4
129.10320	13.1
129.16270	2.5
130.08755	7.2
131.04613	7.2
139.08765	8.1
139.61200	2.4
140.07152	2.4
141.06715	3.6
145.02942	7.1
145.91924	2.9
146.03268	3.3
151.08731	13.4
152.07181	25.0
152.08281	4.6
152.99588	8.4
153.06645	4.5
155.08286	17.9
161.04564	3.1
164.04680	2.4
166.08699	18.0
168.08957	4.2
169.09833	4.2
177.06767	4.7
179.05643	4.8
181.13461	5.0
183.11415	3.5
191.05620	3.5
193.13460	20.0
194.09352	5.8
195.06087	2.4
195.07816	9.8
201.11346	11.5
209.11783	15.8
210.16132	4.5
211.14510	62.7
212.10356	3.9
227.10448	4.7
228.17168	26.0
229.06680	2.8
243.46109	2.8
246.16119	8.1
247.14415	4.2
254.15131	3.6
264.17114	25.3
265.15390	4.6
290.15146	28.3
307.17865	7.2
308.16150	53.4
309.16324	6.3
325.18793	100.0
326.19339	5.3
343.19922	30.4
362.17245	10.8
380.18213	3.0
406.16321	16.2
407.16721	3.0
423.18793	10.7
429.24078	3.7
438.18903	26.2
441.19849	30.0
442.20422	3.4
455.21631	6.1
456.20267	8.1
473.16196	17.2
473.22952	38.4
473.28445	5.0
474.23334	4.3
475.70425	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	473.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93345	0.9
59.01381	100.0
61.98832	7.8
71.54527	1.9
150.27068	1.1
171.10184	1.5
177.99620	1.0
187.06883	1.2
207.37715	1.1
272.04507	1.4
327.07413	1.1
391.20239	1.4
410.14777	1.5
473.14307	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	473.1794
Annotation	5alpha,6beta,8alpha-Trihydroxy-28-norisotoonafolin
Peak:m/z	Relative Intensity
55.01883	1.1
58.00584	1.1
59.01379	100.0
61.98825	7.4
67.52454	0.9
71.01378	13.0
71.53407	1.2
73.02945	4.6
74.02432	1.2
78.95900	26.8
79.95749	1.9
82.02989	1.5
83.01363	1.8
83.05019	1.4
85.02957	4.8
87.00874	1.4
89.02442	4.5
96.95992	45.1
96.96951	22.6
99.00849	1.9
99.05682	1.0
101.02456	10.0
108.02203	4.6
113.02464	5.1
114.05608	2.6
116.07182	1.0
119.03443	1.6
123.04520	1.9
125.09677	1.8
127.05125	1.9
127.11263	2.1
128.03517	6.2
129.10312	1.7
130.08705	3.9
145.06194	1.7
152.01135	9.1
152.99573	18.3
159.02888	1.2
161.04562	12.9
162.01968	1.9
162.03232	30.1
163.11328	2.1
165.10318	2.0
166.01300	1.0
167.02165	1.4
167.03496	16.6
171.00597	1.9
177.05565	39.4
178.05791	2.3
185.05907	0.9
191.05620	1.3
194.72803	1.0
197.13045	1.0
199.09747	1.1
201.11305	32.5
209.11829	26.1
210.12045	1.4
226.11992	1.7
227.12779	4.2
241.11885	1.7
244.12982	1.6
245.04295	1.1
245.13797	1.5
254.74150	1.0
255.08807	1.5
269.17603	1.1
298.14319	1.1
309.14362	2.1
340.18704	1.9
413.21902	7.1
429.15106	1.5
429.23517	2.7
431.22900	3.2
438.20065	1.0
455.16403	9.3
455.21686	3.2
457.20819	1.4
473.17755	42.1
474.18076	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22761	1.0
57.76594	1.1
58.00586	1.7
59.01379	49.3
61.98830	9.5
67.27753	1.1
69.88174	1.9
69.88551	5.7
71.01383	38.0
72.99316	2.1
83.01392	2.4
85.02956	9.9
87.00885	2.4
89.02448	54.1
95.01381	1.7
99.00861	1.9
101.02440	20.2
113.02448	14.9
119.03500	16.2
129.01932	8.4
129.29024	1.2
130.02260	2.2
130.08743	47.8
131.03506	2.0
143.03520	5.8
143.04541	1.2
149.04543	1.7
150.04173	1.9
160.98576	1.6
161.04570	6.0
169.01581	1.4
179.04112	2.4
179.05594	26.2
187.60318	1.2
341.10873	100.0
342.02707	1.6
342.11258	7.2
444.10901	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30798	4.1
50.48151	4.3
59.01108	6.8
59.01387	100.0
61.98822	14.5
64.34097	4.6
71.01387	11.6
80.91676	9.1
89.02451	7.8
113.02473	8.4
128.92035	3.9
132.92429	4.1
203.70052	4.1
203.96036	6.5
246.33446	4.2
246.85341	5.4
249.18597	71.5
250.19031	7.6
291.19547	6.9
471.34711	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	471.3478
Annotation	Odoratone
Peak:m/z	Relative Intensity
59.01374	0.4
69.29987	1.0
69.30412	1.1
78.68930	0.2
113.27819	0.2
147.53020	0.2
196.39949	0.3
352.71545	0.3
353.67261	0.3
375.72736	0.2
377.28656	0.2
393.31625	0.6
423.32632	1.0
441.75122	0.3
471.34781	100.0
472.35132	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.348
Annotation	Odoratone
Peak:m/z	Relative Intensity
59.01377	1.4
61.98830	0.5
64.09476	0.3
69.18784	2.7
71.01383	0.3
89.02419	0.3
98.19836	0.7
103.61205	0.3
122.47101	0.3
135.48643	0.3
140.44022	0.3
163.18117	0.4
245.44640	0.3
267.25784	0.3
282.64978	0.3
365.83817	0.4
471.34793	100.0
472.35110	16.2
479.93317	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.9
55.54780	1.0
57.03439	1.7
58.00592	2.6
59.01384	55.3
71.01382	33.0
72.01727	1.2
72.99301	2.4
73.02934	1.4
83.01375	1.6
83.24858	1.0
85.02960	7.6
89.02450	24.0
95.01366	1.8
101.02448	18.4
113.02457	9.8
117.24252	1.0
119.03530	9.5
149.04488	1.1
177.03499	1.2
181.81369	1.2
183.13876	1.1
207.66292	1.1
211.13336	1.8
223.13397	1.2
235.81743	1.1
273.18448	1.4
291.19672	15.8
292.19995	1.2
309.20776	5.1
446.32831	1.4
471.26025	100.0
472.26266	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	471.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64539	0.8
55.01876	1.3
56.27534	0.8
56.49175	0.8
57.03437	2.3
59.01379	24.4
61.98819	5.7
70.96688	0.8
70.97043	1.4
71.01008	1.4
71.01379	19.0
71.05016	9.8
72.99293	2.0
73.02935	3.0
78.68595	0.8
83.01356	1.9
85.02950	7.5
87.00880	1.6
89.02448	9.1
93.03467	2.3
95.01372	1.1
97.06601	4.3
98.20512	1.0
99.00855	2.3
99.05637	1.2
101.02440	11.1
111.08137	1.0
113.02448	7.6
119.03476	4.1
119.08664	0.9
126.26328	0.9
129.01822	0.9
135.04553	1.8
137.09700	10.5
138.51659	0.9
143.03619	1.3
143.04596	7.2
161.04512	1.8
171.10274	28.7
173.04582	2.2
200.01030	1.2
207.13840	1.1
209.11818	1.0
219.13858	2.1
225.11330	1.2
233.73250	0.8
235.17001	1.6
237.14772	1.3
239.37762	0.9
243.12593	0.9
247.20383	0.9
273.18671	1.3
291.19641	23.9
292.20117	1.5
293.21082	1.1
309.20663	18.6
310.21039	0.9
327.19983	1.9
374.06412	1.5
453.24887	1.1
471.25931	100.0
472.26367	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	471.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22761	1.2
52.93372	1.0
53.08627	1.2
58.00613	1.4
59.01381	93.0
60.01705	1.3
61.98837	2.1
66.77641	1.0
71.01381	31.9
71.53471	1.8
72.99306	2.6
73.02940	2.7
83.01389	3.8
85.00297	1.2
85.02945	8.4
87.00885	1.6
89.02439	23.3
90.85937	1.1
95.01385	2.6
101.02446	19.6
113.02439	7.9
119.03484	8.5
131.03548	1.3
143.03477	1.5
161.04553	1.5
169.93083	1.1
244.57008	1.1
259.21542	1.1
291.19638	35.0
292.20047	3.8
293.21286	1.9
433.22144	1.1
453.25131	4.6
471.25977	100.0
472.26346	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	471.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.9
58.00583	1.5
58.02969	12.1
59.01377	30.3
61.98832	7.7
69.03436	1.2
69.34141	6.8
71.01383	17.7
71.05003	2.3
72.99270	1.6
73.02940	2.4
74.02463	2.2
75.00864	1.5
83.01396	1.8
85.02946	5.1
87.00888	2.0
89.02452	9.0
95.01395	0.9
99.05628	15.4
99.06220	1.5
101.02451	9.0
113.02441	6.8
119.03488	3.7
125.03561	1.0
130.08740	1.3
137.09726	2.8
143.04617	86.8
144.04926	1.6
161.04553	3.6
171.10298	4.7
207.13908	1.1
249.14812	1.0
249.42500	0.8
255.80704	0.9
265.21518	0.9
273.18289	1.2
275.20203	2.8
291.19662	9.6
293.21243	11.9
309.20944	5.6
327.19949	22.0
328.20438	2.1
397.48563	1.1
414.96619	0.9
442.13077	2.1
457.14960	1.3
471.25519	100.0
472.17761	3.2
472.25839	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	471.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01711	1.6
61.98826	12.5
71.01384	12.8
71.54658	1.1
72.99303	0.9
73.02947	4.8
73.04085	0.9
74.02505	0.9
76.99368	1.0
78.95905	12.0
79.95741	1.0
80.96525	12.0
85.02956	7.6
87.00846	1.2
87.54591	0.8
89.02454	4.4
93.03473	1.4
94.98099	2.5
96.96024	1.4
97.02959	2.1
99.00881	7.5
101.02460	8.8
102.05604	1.6
109.78302	0.9
111.06549	0.9
113.02462	5.3
114.05595	2.5
115.05135	1.1
117.03482	1.5
119.05051	2.1
125.09743	1.4
128.03574	7.0
129.10364	2.6
130.08736	3.9
135.08148	3.9
143.03526	0.9
143.11842	1.2
145.02957	5.6
146.04555	1.0
151.08675	0.9
152.98532	1.3
152.99599	10.9
159.02972	1.5
161.04541	14.2
163.03960	2.3
163.11301	1.8
164.98608	2.2
171.00601	2.3
171.10266	1.1
171.66449	0.9
173.04498	1.2
181.12306	4.5
186.12476	1.8
191.05620	3.1
199.13329	2.7
206.77258	0.9
207.10286	10.6
225.00793	2.7
225.11307	16.4
225.15904	0.9
231.13983	5.3
243.12370	15.2
243.14680	1.9
244.12848	1.2
245.04498	1.7
279.14606	1.3
299.01715	1.3
309.09799	2.7
342.23877	2.1
351.10968	1.1
356.23187	1.3
357.21332	1.6
411.20212	9.5
453.15283	1.1
471.16025	47.5
471.22549	1.9
471.28036	4.0
472.16406	4.5
472.24127	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	471.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41320	0.4
58.00575	0.6
59.01378	100.0
59.98807	0.3
60.01712	1.3
61.84818	0.3
61.98845	0.6
63.91442	0.3
69.50626	1.5
69.51049	1.0
69.85583	0.3
71.01383	9.8
72.99321	0.5
73.02946	0.5
78.95918	0.9
83.01379	0.5
85.02952	1.8
87.00908	0.6
89.02444	13.6
95.01421	0.6
98.19914	0.5
99.00937	0.4
101.02443	5.5
113.02443	4.3
119.03503	5.7
127.05139	0.4
130.08838	0.8
131.03584	0.7
143.03548	1.6
149.04552	0.5
152.99649	0.5
161.04556	3.0
161.14545	0.4
179.05606	8.3
179.06999	0.7
180.31744	0.5
184.10310	0.4
221.07997	1.8
335.15048	2.1
344.23572	0.4
375.18106	0.4
393.19104	3.3
394.19501	0.4
411.20197	9.0
411.84360	0.4
412.20905	0.8
453.15677	0.5
471.14969	2.6
471.28812	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	471.164
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.2
58.99150	0.8
59.01380	25.0
59.81933	0.9
61.98829	14.2
62.91468	0.8
69.86053	4.6
70.44423	1.0
71.01388	6.8
71.04986	2.0
73.02928	2.7
73.04078	5.4
78.95903	16.9
80.96506	2.0
83.01370	1.6
83.04994	1.7
85.02955	2.4
85.04065	0.9
88.04034	4.1
89.02439	1.8
96.00938	0.9
96.96940	1.4
97.02940	5.7
97.06579	2.1
98.02469	1.3
98.12171	0.9
99.00877	15.6
101.02449	5.1
104.47168	0.7
109.06570	1.2
110.03716	1.6
113.02477	2.0
113.03546	3.0
114.05595	1.6
114.18459	0.9
115.00376	3.4
115.05013	1.2
115.18709	0.9
116.07154	2.4
117.03462	0.9
119.04991	3.5
125.09708	5.0
128.03534	11.3
129.10355	8.2
130.06209	2.1
130.08743	9.8
132.02991	1.2
135.08128	1.1
139.08696	1.0
140.05452	0.8
142.02748	1.6
143.11906	6.1
145.02963	10.5
151.08748	1.7
152.98383	1.2
152.99586	21.3
155.14441	1.2
157.13408	0.9
161.04555	2.6
161.05919	0.8
163.04033	3.7
163.11279	7.7
165.10278	1.3
168.11357	2.1
169.09828	3.7
171.00635	3.1
181.12347	20.8
182.12859	0.9
183.11346	2.7
187.10907	2.1
199.13393	14.5
200.14009	5.4
207.10246	45.0
207.14989	2.1
208.10605	3.4
222.70645	0.9
224.17618	1.2
225.11359	54.3
225.13518	8.5
225.15906	2.0
226.11664	3.1
227.03171	1.0
227.10309	4.5
242.18816	1.9
243.12364	74.6
243.14558	4.4
244.12648	5.5
245.04283	4.0
256.20178	1.2
283.99274	0.9
309.09735	5.5
313.22540	2.2
337.26022	2.9
351.10791	2.9
355.27103	3.4
356.25836	2.0
407.82401	1.0
411.22440	2.4
427.29095	1.6
437.20190	3.2
453.15140	1.3
454.22714	1.0
471.16217	100.0
471.26147	35.4
472.16541	11.2
472.25339	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.8
61.98816	1.1
66.95952	0.5
71.05014	1.2
71.21652	1.0
78.95902	35.4
80.76221	0.5
81.64602	0.5
82.35663	0.4
83.05042	0.8
96.96980	2.6
97.02933	3.0
97.06611	1.2
98.15030	0.6
99.00867	9.6
109.06555	1.0
110.03709	1.1
111.55772	0.5
114.84211	0.5
125.09724	3.9
142.02728	1.1
150.97969	0.5
152.99580	36.4
153.99965	0.7
158.59137	0.5
163.11287	5.7
168.66829	0.5
171.00652	5.9
181.12337	13.3
182.12657	0.7
191.38817	0.5
197.11746	0.6
199.13387	9.1
207.10245	26.5
208.10562	1.7
225.11310	29.5
226.11633	1.8
227.03362	2.5
243.12361	34.0
244.12724	2.1
245.04324	0.9
337.04547	0.5
379.11771	2.5
397.12537	1.6
471.16333	100.0
472.16705	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	471.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17540	0.8
59.01379	9.5
61.98830	3.5
69.53661	5.4
71.01369	6.2
73.02946	2.4
78.95898	4.0
80.96510	1.3
81.51350	0.7
85.02962	1.8
87.00867	1.2
89.31963	0.8
93.03454	2.1
94.06239	0.8
96.96955	1.0
97.02968	1.3
99.00899	1.3
101.02453	3.5
102.05592	1.9
114.05656	0.9
115.08714	1.1
117.03470	17.1
119.05025	41.1
120.05343	1.5
121.02933	1.1
125.02435	2.9
128.03535	4.5
129.10316	1.1
130.08716	3.4
131.04607	0.8
133.06589	1.9
145.02951	100.0
146.03302	4.7
146.04367	0.8
147.04448	0.9
152.99614	4.7
159.04536	2.1
161.06105	6.3
163.04010	45.3
163.11308	1.0
164.04327	1.9
172.10895	1.2
173.04552	2.0
173.05981	1.0
177.05544	2.7
181.12332	1.5
185.16624	0.8
187.03995	13.6
199.13477	0.8
205.05098	7.7
207.10263	2.9
225.11288	3.2
243.12383	2.6
249.07666	6.1
291.08902	3.1
309.09781	54.1
310.10175	3.9
342.23840	1.6
351.10837	32.2
352.11130	2.9
360.61713	1.0
381.11832	5.3
411.12964	5.4
412.13501	1.0
415.87411	0.8
471.16312	10.7
471.28488	4.3
472.16650	1.8
472.28320	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.20794	1.6
69.25489	1.8
70.85490	5.3
72.68629	1.5
73.40870	1.6
85.02950	66.2
100.63182	1.7
101.11872	1.8
104.75825	1.8
116.36029	1.9
129.01942	100.0
130.02295	3.0
368.92892	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	471.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43612	1.0
58.02978	0.9
59.01375	3.3
61.98825	1.9
67.50097	0.6
71.01369	4.3
71.40577	1.2
74.02470	2.2
85.02936	0.8
86.02483	1.0
88.04044	1.3
89.02450	4.8
96.00904	2.0
96.96014	3.1
99.05647	1.2
101.02437	2.2
105.52379	0.6
113.02450	1.6
113.03566	0.9
115.00368	2.0
119.03495	2.7
119.05013	1.6
120.01253	100.0
121.01630	1.7
127.05104	1.1
128.03552	7.1
129.03859	1.0
129.05571	0.9
129.10359	0.7
132.03029	1.7
142.06671	2.4
143.03563	1.1
143.04626	7.2
144.04979	2.1
155.08234	0.7
160.00793	1.6
161.04489	0.9
165.89522	0.7
168.04916	0.7
170.06090	4.8
179.05637	1.9
200.36440	0.7
210.08765	1.1
242.18810	1.7
250.38382	0.8
254.07782	1.0
255.08113	0.8
272.08951	0.9
273.09250	1.2
280.71362	0.6
306.07712	7.3
307.07999	10.1
308.07587	1.3
350.12491	0.8
356.23056	0.9
472.24265	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	470.2393
Annotation	Glucolanomycin
Peak:m/z	Relative Intensity
50.34079	0.7
55.01873	1.3
57.03441	0.9
57.49059	0.7
58.00594	1.6
59.01380	29.3
61.41175	0.6
61.98835	4.5
69.03429	0.9
69.51671	4.9
71.01379	18.6
72.01726	1.0
72.99308	1.8
73.02930	2.6
78.95891	0.7
83.01388	2.3
85.02455	0.8
85.02953	8.9
87.00876	1.5
88.19067	0.7
89.02443	13.2
93.03458	1.0
95.01399	2.1
96.00917	1.2
96.95993	0.6
97.02943	0.8
98.02473	1.5
99.00853	1.5
101.02438	12.6
111.02003	3.1
111.95491	0.6
113.02457	5.9
113.03571	0.7
119.03506	4.6
122.41759	0.9
130.08733	3.7
135.93628	0.6
143.03505	0.6
161.04570	1.0
163.04041	0.8
165.12883	0.8
173.04539	1.3
191.05550	0.8
191.14392	2.1
204.13939	0.9
218.11818	0.9
246.18634	0.8
290.17734	2.4
308.18677	2.8
436.24252	3.4
453.27234	1.3
455.21622	5.7
470.23923	100.0
471.24097	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	470.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	5.8
61.98826	1.2
70.71827	2.5
72.00938	0.9
74.02474	15.4
75.90202	1.0
75.95536	0.8
82.03005	1.3
86.02470	5.7
86.99081	0.9
87.05651	3.0
90.00211	2.4
96.95984	0.9
97.04070	1.7
99.05644	11.5
101.07217	2.3
109.04091	1.6
112.04039	1.6
116.01762	1.9
119.05015	8.9
123.05651	1.6
127.05157	2.7
128.03540	38.2
131.04588	1.5
135.05676	3.6
137.07190	1.1
141.06715	3.7
143.04623	51.5
145.06221	1.5
146.04593	4.3
153.06703	3.7
160.00748	12.6
166.09863	2.9
167.04654	4.0
167.08208	1.2
177.03394	5.0
179.04604	8.1
181.06181	1.3
185.05676	1.7
197.05693	1.9
210.08846	10.9
246.69151	1.1
254.07765	13.2
255.07959	1.2
272.08850	21.8
279.84915	0.9
288.06607	7.5
306.07657	100.0
307.07831	5.8
446.16214	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	469.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.4
57.03447	4.4
58.00586	6.9
59.01383	100.0
61.98829	8.2
67.01868	2.0
71.01384	74.7
72.63578	1.7
72.99306	4.8
73.02947	7.6
83.01388	7.9
85.02955	18.8
87.00874	8.2
89.02449	78.7
93.03451	10.2
94.03822	2.8
95.01387	6.7
98.70386	2.0
99.00903	4.7
101.02440	55.8
113.02449	24.9
119.03494	38.1
131.03545	3.9
133.63075	2.2
135.04507	4.2
136.05286	2.5
143.03506	5.1
149.04561	2.4
153.44243	2.1
161.04544	7.4
166.78802	1.6
168.07933	23.9
173.04498	6.3
174.04919	3.2
175.04961	2.7
177.09175	1.9
179.05611	9.3
191.05611	2.4
229.90381	2.5
234.34523	2.1
253.16002	5.2
271.17062	19.4
289.18140	16.2
300.57971	1.8
424.21164	3.3
433.22296	3.3
439.23383	3.8
451.16306	3.7
451.23331	68.4
452.23871	8.4
469.15945	3.4
469.24289	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	469.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.6
57.03437	7.7
59.01072	3.4
59.01379	71.1
61.98829	31.0
63.76110	2.8
64.74090	2.4
67.01885	5.4
69.03420	2.7
69.63541	3.0
71.01385	100.0
71.54015	3.3
71.54373	4.9
72.99302	6.6
73.02947	25.4
78.95895	3.0
79.64043	2.3
83.01389	7.1
83.05030	7.4
85.02951	35.7
86.00096	5.4
87.00874	27.4
87.04523	5.9
89.02446	42.7
89.02957	4.7
93.03451	29.8
94.03788	8.1
95.01392	4.9
96.96974	3.2
97.02939	2.5
99.00874	10.9
101.02447	52.0
113.02453	42.5
119.03513	15.1
131.74947	2.4
134.03668	2.8
135.04482	2.8
136.04132	2.9
137.02478	3.2
137.09752	8.9
143.03519	5.8
145.03026	2.4
145.05055	36.1
149.10776	2.7
151.07640	5.8
152.08429	17.3
153.09209	7.9
159.02972	8.2
161.04552	68.5
162.04929	3.8
171.95229	2.4
173.04562	27.9
174.04857	13.1
175.04987	8.9
178.02698	3.5
179.05608	6.4
191.05708	4.3
200.12039	38.0
201.12556	3.6
203.10762	3.6
205.33879	2.5
215.14380	54.0
216.14693	4.6
217.12250	7.3
233.15382	4.6
235.08188	40.6
271.17081	21.1
289.18152	37.0
290.18607	3.3
293.10117	3.0
326.10010	2.7
451.15723	14.1
451.22525	11.9
469.16592	9.0
469.24292	23.3
470.24081	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	469.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.0
57.03462	1.6
58.00591	3.4
59.01380	100.0
61.98842	7.4
66.10001	1.3
67.61625	1.3
71.01382	70.2
71.05020	4.2
72.99304	5.3
73.02941	4.3
77.87212	1.5
78.95908	1.7
83.01386	4.4
85.02968	14.3
87.00867	5.3
87.04521	15.7
89.02445	71.4
90.01440	1.5
93.03454	7.4
94.03803	2.9
95.01369	3.4
98.19826	2.9
99.00884	1.9
99.04527	3.1
101.02441	51.4
102.02795	1.5
107.04991	2.2
110.74780	1.4
113.02455	27.7
119.03501	39.3
125.02446	1.8
127.04025	4.4
131.03535	2.2
134.03780	2.6
135.04521	6.6
137.02452	1.5
140.03058	1.4
143.03503	5.9
149.04518	3.9
151.00459	1.8
161.04590	4.5
167.07143	1.6
168.07875	10.9
173.04549	6.6
174.04866	2.8
175.05000	2.6
179.03473	3.4
179.05644	10.0
179.06960	1.7
190.78149	1.5
201.09232	4.5
229.12358	2.0
229.59784	1.8
271.17020	5.1
289.18048	4.5
307.19388	2.2
368.24274	1.6
423.71130	1.6
425.25583	2.6
436.20758	1.5
451.16080	2.8
451.23398	34.2
451.29663	1.7
452.23578	5.8
469.16757	2.8
469.24438	19.9
470.25104	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	469.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50444	1.3
55.01864	1.8
55.39701	1.3
57.03442	2.1
58.00589	4.1
59.01377	100.0
61.98828	12.8
64.88240	1.6
67.01882	1.9
69.28039	12.7
71.01379	67.0
72.99294	6.5
73.02927	5.0
75.00864	2.7
78.95884	2.3
83.01394	3.0
85.02944	18.8
87.00877	7.6
89.02441	77.3
93.03452	15.4
94.03801	4.7
95.01398	2.7
96.96915	1.5
97.02941	3.4
99.00845	1.7
99.04501	2.0
101.01798	2.9
101.02441	48.4
108.05859	1.6
109.02972	2.1
111.04519	3.3
113.02441	25.8
116.15157	1.6
119.03493	34.3
119.04972	4.5
122.03722	4.9
123.04463	1.8
123.08160	4.2
125.02423	1.8
125.06078	3.2
130.08748	3.2
131.03528	2.7
135.04456	2.9
137.06038	2.3
137.09727	3.4
138.06870	12.2
139.07614	4.5
143.03452	4.8
145.02963	2.8
149.04579	1.9
149.05980	1.8
150.06876	9.1
151.07639	11.4
152.04732	1.7
152.08423	19.2
153.09215	15.2
161.04523	4.8
161.06035	3.8
163.03949	5.1
165.09187	12.8
173.04582	8.7
174.04892	5.5
175.04999	3.8
177.05481	2.5
177.08998	1.6
179.05623	8.7
180.35410	1.5
191.05559	4.2
196.55989	1.5
205.05101	2.9
247.13280	3.8
271.17056	1.6
315.14453	8.9
316.15033	2.0
323.13458	11.7
324.13831	1.6
365.46906	1.8
446.69952	1.6
451.15247	5.7
451.23447	4.7
469.16745	7.1
469.24133	10.0
469.33838	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	469.1483
Annotation	2-(1,3-Benzodioxol-5-yl)-3,5,6,8-tetramethoxy-7-[(3-methyl-2-butenyl)oxy]-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
56.20855	0.7
59.01380	5.0
61.98829	8.7
69.03453	2.2
71.01382	3.6
71.05016	2.9
71.54079	1.5
78.95904	57.6
85.02968	2.0
85.22495	0.8
87.00856	0.9
89.02438	2.0
93.03461	3.3
96.96962	5.2
100.06763	0.8
101.02429	1.3
109.02951	1.4
111.00883	1.2
114.05634	0.8
118.53026	0.8
119.05022	10.1
123.08170	1.0
125.02465	1.2
129.10391	1.1
130.08743	2.6
150.08632	0.7
151.11276	0.9
152.99580	42.3
153.12834	3.1
161.04625	0.9
161.09747	1.2
163.04015	7.8
169.01358	1.4
171.00630	11.2
173.04524	7.8
179.10814	4.1
180.10257	0.9
191.05644	3.5
197.11816	66.7
198.12172	4.1
200.14098	0.8
200.40961	0.8
223.09737	1.6
227.03259	1.7
241.08313	1.9
241.10811	36.1
242.11115	2.6
242.18690	1.6
245.04225	2.0
251.07497	2.9
315.14478	1.8
354.20319	1.7
377.10031	3.6
382.19601	1.1
395.11215	1.8
468.68842	0.8
469.14771	100.0
470.15115	10.7
470.21509	1.3
470.23901	0.9
470.29822	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	468.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14979	0.9
59.01377	6.6
61.98832	4.7
68.01411	3.2
70.02984	1.9
71.01376	7.8
72.99297	1.0
73.02956	1.5
84.00924	1.0
85.02944	2.0
86.02468	3.1
88.04011	1.4
89.02448	1.2
97.06577	1.0
99.00880	9.3
101.02437	3.7
113.01229	1.0
113.02437	1.9
114.01972	74.3
124.00420	1.7
124.04060	5.3
125.16432	1.1
126.01950	4.0
139.99910	2.0
156.02940	1.9
161.04449	1.2
174.04044	10.7
207.05307	2.9
207.34692	1.1
229.66747	1.2
235.49518	1.0
237.15051	1.2
288.19806	1.2
292.19144	2.1
293.17508	1.6
297.66632	1.0
306.20715	2.4
372.18008	2.0
390.14423	2.0
390.19202	30.5
391.19455	3.3
408.20541	9.2
450.15103	2.1
450.21341	28.6
451.21625	4.0
468.22327	100.0
469.22772	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	468.2239
Annotation	Acetyllasiocarpine N-oxide
Peak:m/z	Relative Intensity
53.20114	0.7
55.68464	0.7
57.03446	1.2
59.01382	8.2
60.99319	0.8
61.98833	6.1
67.01912	0.8
68.01416	1.7
69.03430	0.7
70.02960	2.8
70.80458	1.4
71.01382	10.3
72.01713	1.0
73.02949	1.9
85.02946	2.1
86.02489	3.5
87.00868	1.5
88.04067	0.8
89.02434	2.8
93.03463	5.9
94.03790	1.9
96.00921	1.0
96.99310	0.9
99.00885	7.6
99.88577	0.7
101.02441	3.9
112.04044	1.0
113.01188	1.5
113.02443	2.7
114.01974	71.3
115.00356	1.0
115.02316	1.4
119.03474	1.3
124.00391	1.5
124.04064	4.8
126.01980	3.6
127.00374	1.0
139.99884	2.2
152.31628	0.7
156.03035	1.2
161.04553	0.7
169.01358	0.8
173.04532	4.9
174.03981	10.2
179.03285	0.8
207.05452	1.7
219.05200	0.8
233.06946	1.1
275.16605	1.1
288.19604	2.3
292.19138	2.2
293.17599	1.6
306.20718	2.3
309.13443	0.8
323.64774	0.8
338.88004	1.0
346.20013	0.8
352.72342	0.7
372.18060	1.9
390.19193	32.7
391.19751	4.1
408.20291	8.5
436.29111	0.8
450.14996	4.1
450.21152	25.3
451.21274	3.5
468.22351	100.0
469.22772	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	468.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50233	0.8
59.01379	3.4
61.98831	100.0
65.23457	0.8
70.88493	2.0
71.01376	3.5
71.05016	3.0
72.33205	0.8
78.95897	8.0
82.03014	0.8
85.02982	1.4
87.00865	1.6
89.02451	0.9
93.03463	7.8
94.03784	1.5
96.96017	0.9
101.02431	1.6
108.02166	2.4
111.04537	1.6
113.02493	0.8
114.05605	2.4
121.02958	0.9
123.04518	1.8
123.14072	0.8
125.09746	1.0
127.05103	1.8
128.03542	1.7
129.10356	1.1
130.08717	1.9
137.02341	1.0
149.43402	0.9
152.01154	3.4
152.99600	9.3
164.03508	2.3
167.03508	5.3
171.00647	3.5
173.04544	11.5
174.04942	1.4
179.10817	2.6
183.14972	1.4
191.05620	14.9
192.05977	5.2
197.11819	3.4
223.09781	1.2
227.14008	3.5
241.10820	9.0
245.04309	11.0
251.07524	1.5
255.03032	1.5
258.08609	0.9
276.09744	1.2
283.02481	1.1
285.03937	1.0
312.61230	0.7
339.61157	0.9
450.14752	2.9
451.13873	1.1
468.15625	1.1
468.22440	1.5
468.28149	6.0
469.14731	12.8
469.20572	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.5
59.02903	0.4
60.00978	0.5
60.56709	0.4
61.98829	100.0
69.56396	2.7
71.01381	1.4
76.76155	0.4
78.95931	1.0
85.02961	0.9
88.04051	3.6
89.02457	1.2
93.03449	2.9
94.03813	0.7
101.02459	0.8
111.04578	0.5
113.02474	0.5
114.05597	0.6
128.03537	0.6
152.99577	1.2
167.03542	0.6
173.04515	2.8
174.04897	1.1
186.12498	0.9
191.05629	5.7
192.05911	3.3
193.05997	0.6
197.11868	1.1
209.12961	0.6
232.10434	0.4
241.10744	0.4
254.18805	0.6
258.08328	0.6
261.38214	0.4
276.09769	0.6
354.20462	0.5
369.50186	0.4
379.23566	0.6
416.53296	0.4
427.29779	0.4
450.14981	0.9
468.28235	4.0
469.14786	1.8
469.29477	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88967	0.4
57.74967	0.4
59.01379	3.3
61.01807	0.5
61.98829	100.0
67.01881	0.7
68.04475	0.4
68.93072	0.4
69.34755	1.7
69.35185	1.8
71.01376	1.5
82.55178	0.4
85.02947	1.1
87.00884	3.5
89.02460	0.5
93.03456	4.0
94.03805	1.1
96.96040	1.2
97.78265	0.4
101.02436	0.8
111.00771	0.6
111.04501	1.0
119.03443	0.5
131.03816	0.6
138.01820	0.6
139.00269	0.6
145.02919	0.7
146.02475	1.1
150.01816	0.5
155.03491	0.5
163.04053	0.5
163.99385	0.7
164.01755	0.7
165.00105	1.9
165.02074	0.6
165.98961	1.9
166.01299	1.5
166.99727	2.8
173.04587	4.9
174.04915	0.8
175.05052	0.6
177.99606	2.1
178.99979	1.4
179.99136	3.8
185.09055	0.5
187.11143	0.5
191.00520	1.8
191.05594	8.9
192.01247	9.5
192.05986	1.7
192.99788	3.0
193.01637	4.9
193.06082	1.4
194.00699	17.7
195.01189	1.0
204.01202	0.5
205.01918	0.7
206.00755	0.8
207.01501	1.1
226.41318	0.5
232.02515	0.5
248.03859	16.8
249.04164	12.9
250.03386	41.2
251.03792	2.7
251.07465	0.9
275.02246	0.5
276.01431	2.5
292.02875	7.9
293.03162	6.6
294.02509	21.8
295.02835	1.5
295.06256	0.5
306.07394	0.5
341.72296	0.4
351.24451	0.5
450.07104	2.0
468.08197	24.8
468.26331	1.6
469.08542	2.1
469.14526	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	6.4
56.77823	0.6
57.03447	4.9
58.00600	4.0
59.01378	86.5
61.98844	0.7
71.01381	100.0
71.03680	0.7
72.01710	1.3
72.99294	5.0
73.02948	19.9
75.00862	0.9
81.03476	0.8
83.01392	8.7
84.02171	0.8
84.17558	0.7
85.02952	36.2
87.00861	4.7
89.02442	63.7
90.02782	1.7
95.01393	6.9
97.02956	1.7
98.20790	1.4
99.00885	10.1
101.02441	62.6
102.02775	1.1
111.00891	0.8
113.02451	42.3
114.02768	1.1
119.03497	28.2
125.02427	2.0
131.03508	2.8
143.03499	4.2
149.04567	1.6
159.02948	5.7
161.04544	25.5
179.05557	4.4
216.97522	0.7
227.74794	0.7
318.06335	0.8
373.21652	1.0
467.30045	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	467.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70897	0.4
55.01882	3.3
57.03439	2.9
58.00600	4.3
59.01379	100.0
60.01733	0.8
71.01381	68.3
71.22069	0.5
72.01732	0.9
72.99305	4.1
73.02949	6.0
76.44136	0.5
79.31356	0.5
83.01382	4.7
84.70346	0.4
85.02950	18.4
85.03467	1.0
87.00867	2.9
87.98489	0.4
89.02444	68.6
90.02790	0.6
92.18752	0.4
94.68913	0.4
95.01389	4.8
97.02923	0.5
99.00866	2.3
101.02443	44.5
102.02770	0.8
113.02452	28.0
114.02756	0.5
119.03504	30.8
122.83057	0.4
125.02405	0.7
131.03506	3.2
143.03494	3.1
149.04506	1.9
159.02968	1.3
161.04561	7.9
179.05614	4.1
179.07076	0.8
243.19061	0.4
294.71213	0.4
305.24994	0.5
467.30096	5.9
468.30121	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.5
57.03444	4.4
58.00588	1.3
58.22947	0.6
59.01377	34.0
61.98826	0.8
64.30747	0.7
69.03452	0.9
71.01380	100.0
72.01702	1.5
72.99316	2.7
73.02945	30.4
75.00869	2.0
78.95922	0.8
83.01391	10.4
85.02950	44.9
86.03345	0.8
87.00883	3.7
89.02444	16.5
95.01395	7.0
97.02953	2.5
99.00883	13.5
101.02440	56.5
109.02180	0.7
111.00898	1.1
113.02450	42.7
114.02852	1.0
119.03484	5.3
121.02967	0.9
125.02459	1.5
129.01974	2.1
135.92757	0.6
143.03539	4.7
152.99570	0.8
159.02977	8.9
161.04552	37.6
179.05699	1.1
198.17400	0.6
203.81149	0.7
205.03503	1.2
245.11913	2.5
271.22803	1.6
337.72662	0.8
467.30170	7.1
468.31174	1.4
479.20450	0.7
493.65985	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00330	0.9
57.03433	2.1
59.01375	10.7
60.58238	0.9
60.99314	5.4
61.98837	10.6
67.01896	15.6
69.03443	4.2
69.33123	8.8
70.15306	1.1
71.01381	9.8
72.99297	1.5
73.02952	1.5
78.95917	1.1
81.03442	2.8
83.05015	1.6
85.02934	4.4
87.00870	20.1
89.02434	4.2
93.03459	100.0
94.03789	3.9
98.20653	2.6
99.00857	2.9
99.04499	2.3
101.02434	2.3
109.02920	2.9
111.04520	14.3
112.02737	1.0
113.02404	3.2
119.03438	1.3
129.01917	3.4
134.03752	16.2
135.04593	5.8
137.02406	3.0
143.03447	1.3
155.03477	3.9
171.10246	3.6
173.04544	75.8
174.04839	3.1
178.02705	3.0
191.05606	32.5
192.05920	2.2
231.10226	1.6
245.97273	1.1
254.91553	1.1
257.08151	3.2
271.26102	1.1
275.09323	1.3
293.10345	7.7
362.59448	1.0
449.14514	18.3
450.14264	1.3
467.15359	40.6
467.20874	4.0
467.28561	1.9
468.15787	5.2
468.24493	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	467.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.7
57.03448	5.6
58.00585	1.4
59.01378	30.8
60.01716	0.4
61.65199	0.2
61.82320	0.2
61.98804	0.5
67.01871	0.3
68.99830	0.5
69.03448	1.3
71.01379	100.0
71.41473	0.2
72.01720	1.3
72.99309	2.8
73.02943	28.5
73.97055	0.3
74.03279	0.4
75.00882	2.0
76.63327	0.2
81.03439	0.6
83.01383	10.9
84.02168	0.9
85.02948	43.9
86.00086	0.3
86.03293	0.7
87.00881	3.7
87.04518	0.4
88.82884	0.3
89.02445	15.7
90.02775	0.3
91.54115	0.3
95.01385	6.6
97.02960	2.2
99.00881	13.6
99.04495	0.3
100.01205	0.4
101.02440	56.3
102.02799	1.0
104.42359	0.3
111.00884	1.1
113.02450	39.9
114.02801	1.2
115.03967	0.4
119.03496	5.2
125.02451	2.1
129.01936	2.3
131.03508	0.7
131.07486	0.2
131.42599	0.2
141.01877	0.3
143.03502	4.5
149.04503	0.4
150.95268	0.2
159.02988	10.4
161.04550	39.7
162.04869	1.1
164.95267	0.2
170.29065	0.2
178.04808	0.5
179.05606	0.5
205.03516	0.9
223.71736	0.3
341.43658	0.2
358.12595	0.3
361.27686	0.4
389.26877	0.4
391.89630	0.3
435.13254	0.3
467.30164	7.5
468.30338	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
69.98613	1.7
78.95904	19.8
98.20576	0.5
136.01646	0.4
152.99602	2.5
154.02750	3.7
210.05365	7.9
213.01663	0.5
228.06439	1.9
255.23293	100.0
256.23651	9.4
277.22006	0.4
466.29373	23.4
467.29578	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	467.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64680	1.5
56.72386	1.4
57.03452	46.3
59.01383	33.1
61.98836	20.1
64.63915	1.4
67.01898	4.6
67.14584	1.4
69.85323	3.5
69.85725	5.2
71.01385	13.1
72.99322	1.8
73.02940	2.9
73.07743	1.4
79.44928	1.5
80.82300	1.7
83.01415	1.8
83.05038	1.9
84.63166	1.5
85.02952	5.5
87.00877	5.8
89.02444	5.6
93.03459	24.0
97.03008	1.8
99.04521	18.2
101.02441	14.5
111.04511	4.7
125.02470	8.9
127.04057	1.8
130.11249	1.5
131.48468	1.5
134.03748	4.0
137.02458	2.0
145.07703	4.2
153.94977	1.4
155.03526	1.8
160.06430	19.3
161.04559	14.9
161.07211	49.5
162.07549	1.9
168.62137	1.6
171.10265	4.3
173.04561	41.5
173.06989	2.0
175.08765	37.5
185.10617	2.0
187.07384	2.3
187.08745	6.7
189.06697	88.7
190.07042	5.3
191.05614	58.0
192.05928	2.2
201.10326	8.2
203.08255	42.1
203.11885	8.8
204.08618	1.9
229.09822	22.2
237.52614	1.4
243.12267	2.2
257.08224	5.1
275.09219	6.4
277.11838	1.9
305.11414	69.3
306.12021	7.3
323.12457	100.0
324.12872	8.8
365.13483	13.0
405.16910	2.4
449.14587	9.4
464.42526	1.7
467.09631	2.0
467.15939	5.7
467.27988	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	465.2854
Annotation	Virescenoside Q
Peak:m/z	Relative Intensity
54.18177	0.5
55.01873	5.7
57.03455	5.9
58.00597	1.6
59.01380	31.8
61.98824	1.1
64.06139	0.5
69.03461	0.9
71.01380	100.0
71.53677	0.8
72.01717	1.2
72.99300	3.3
73.02946	26.3
74.03287	0.8
75.00870	2.0
78.95918	0.9
81.03468	0.8
83.01384	11.2
83.05029	1.1
84.02168	0.7
85.02948	41.9
86.00102	0.8
86.03275	0.7
87.00883	3.7
89.02443	23.4
95.01390	7.9
97.02951	1.6
99.00877	13.0
101.02442	57.3
102.02799	1.1
111.00877	1.2
113.02450	39.9
114.02784	0.6
116.14281	0.5
119.03503	9.4
125.02528	1.1
129.01949	2.1
143.03505	2.9
149.04567	0.6
152.99622	0.6
154.15089	0.5
159.02994	8.1
161.04553	25.9
162.04848	0.7
179.05603	1.5
184.26848	0.5
188.14502	0.6
205.03584	1.1
297.24261	1.2
303.23141	4.0
447.27640	1.1
465.28549	27.2
466.29062	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	466.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.9
59.86186	0.3
61.98828	13.7
67.01862	0.6
69.03460	0.4
69.86674	1.5
71.01373	1.9
73.04055	0.4
85.02930	0.5
87.00864	0.7
88.26530	0.4
89.02433	0.9
93.03436	2.9
101.02380	0.5
109.01108	0.4
111.04514	0.6
118.03019	0.4
119.03487	0.7
119.04958	0.3
127.13580	0.3
136.02272	0.4
137.00613	0.9
137.02478	0.5
145.02919	0.9
146.02489	1.3
148.02264	0.4
150.00154	1.2
150.02913	0.4
155.03494	0.8
163.04015	0.5
163.99399	4.1
164.01714	2.8
165.00133	4.5
173.04539	14.3
174.03745	0.5
177.00172	1.1
177.99669	7.2
179.05536	0.4
190.01048	0.6
191.00444	7.6
191.05624	2.4
192.01241	34.4
193.01549	1.3
201.99638	0.5
204.01228	1.8
205.01955	1.1
228.25690	0.3
230.02742	1.6
248.03835	100.0
249.04178	8.0
256.67267	0.4
265.07043	0.3
265.55310	0.4
274.01761	0.5
292.02829	27.7
293.03168	2.4
325.09457	0.4
405.21289	1.0
406.21793	0.8
448.07196	0.4
466.08093	6.6
467.08292	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23413	0.3
55.01877	1.3
57.03469	0.8
58.00607	0.3
59.01378	55.4
60.01718	0.4
61.98835	0.6
62.77561	0.3
65.95855	0.3
70.48045	0.6
70.48420	1.0
70.83862	0.4
71.01373	10.0
71.84757	0.3
72.99325	0.6
73.02943	4.3
75.00892	0.4
83.01379	4.0
85.02949	7.3
86.00101	0.4
87.00882	0.5
89.02454	1.1
92.92208	0.4
93.03451	0.3
95.01376	0.8
99.00883	2.3
101.02439	11.0
109.53226	0.3
111.00896	1.4
113.02437	4.0
119.04992	0.5
129.01958	0.5
136.19069	0.3
141.01915	0.3
147.73438	0.4
159.02960	0.6
160.01154	0.4
161.04562	1.0
171.59618	0.3
177.01906	1.3
179.02242	0.3
191.05589	0.4
222.59923	0.3
243.19563	1.2
248.03815	0.4
285.20767	0.5
303.21838	0.9
405.24823	3.7
406.25128	0.6
447.25980	5.6
448.26309	0.6
465.26981	100.0
466.27359	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	465.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.1
57.03450	1.8
58.00587	0.7
59.01377	15.8
61.98830	3.1
63.62596	0.3
69.03455	0.5
70.71571	0.9
71.01381	13.0
72.99307	0.7
73.02945	5.3
75.00871	0.5
78.02955	0.3
83.01387	3.9
85.02453	0.6
85.02943	7.7
86.00088	1.3
87.00887	1.6
89.02424	2.0
93.03461	0.3
95.01378	1.2
97.02917	0.6
99.00880	1.7
99.08167	0.7
101.02441	12.7
111.00877	1.9
113.02442	4.6
116.12535	0.4
125.02333	0.4
129.01985	0.6
129.09215	1.7
134.04741	0.3
135.04420	0.3
137.02472	0.3
143.10745	1.4
157.12256	0.3
159.02931	0.8
161.04507	1.0
173.04523	0.7
191.05569	0.7
192.34122	0.3
209.11838	0.5
231.39201	0.3
248.03816	0.5
257.21164	0.7
265.14297	0.5
267.12277	0.5
285.20685	4.6
286.21036	0.4
291.79907	0.3
303.21768	3.5
304.21933	0.4
327.22021	0.4
333.19238	0.4
429.25046	1.0
447.25943	16.7
448.26218	2.4
463.25494	0.6
465.27011	100.0
466.27335	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	465.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35715	0.7
56.19034	0.9
57.03445	2.9
58.00588	1.4
59.01379	100.0
61.06056	0.8
61.48295	0.7
61.98831	15.4
67.01897	1.2
71.01379	19.0
71.53256	0.9
73.02937	2.1
75.00874	0.9
78.95899	2.5
79.18864	0.8
84.10948	0.8
85.02950	5.1
87.00879	3.6
89.02442	24.6
93.03445	4.8
95.01381	1.6
96.95992	0.9
96.96970	3.7
98.19869	2.0
99.00905	1.1
101.02448	9.4
102.02753	0.8
111.04517	1.7
113.02460	9.3
118.03023	0.8
119.03509	11.4
131.03528	1.4
134.07364	1.1
137.00647	1.3
137.09706	1.2
141.67992	0.9
143.03477	1.7
145.02943	1.4
146.02504	1.5
149.04495	0.9
149.09712	13.5
153.09250	6.6
159.03194	1.1
161.04572	5.7
163.99385	5.1
164.01784	3.2
165.00145	6.6
167.10776	29.7
173.04590	7.1
177.99684	10.4
179.05614	10.0
180.05688	0.9
190.00972	1.2
191.00449	7.4
191.05605	10.0
192.01247	38.9
202.94160	0.8
204.01234	2.4
205.02052	1.1
207.14006	1.0
225.14998	6.1
243.15970	4.0
247.02403	1.0
248.03850	93.6
274.01614	3.4
292.02841	29.5
405.21301	19.0
406.21677	1.3
448.06744	1.9
466.08099	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	465.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98824	28.3
67.34451	2.1
69.20055	25.6
70.66291	2.1
71.01381	49.8
72.99303	5.3
75.00861	3.1
78.91914	2.9
83.83115	2.2
85.02953	15.8
87.00868	4.1
89.02441	65.2
93.03448	8.2
95.01392	3.1
98.20610	5.1
99.00817	2.6
101.02438	30.2
111.02827	2.3
113.02445	22.4
119.03497	31.8
125.02447	4.7
131.03416	3.5
137.02443	3.0
143.03471	8.1
147.04544	14.7
149.04579	3.5
161.04527	6.7
161.05988	5.4
173.04559	7.3
179.05641	12.3
180.09023	2.1
186.68181	2.6
191.05574	17.5
192.01154	4.2
197.89380	2.3
209.11830	4.1
211.12343	2.4
247.09630	4.0
248.03792	14.2
292.02902	2.9
303.05099	3.3
321.15738	3.5
405.21332	19.8
465.19418	10.4
492.59393	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	465.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.7
55.43993	2.3
59.01375	29.6
61.98825	16.8
69.50466	16.8
71.01373	20.2
71.95272	2.1
73.02945	5.1
83.01382	5.3
85.02929	11.8
87.00859	2.3
89.02441	7.5
93.03452	5.9
95.01395	3.2
99.00880	3.5
101.02448	13.3
113.02448	4.6
129.01886	3.1
135.04562	3.1
143.10789	2.8
152.99541	2.6
173.04512	11.0
189.51038	3.0
191.05598	29.5
209.11810	4.8
210.12061	2.4
211.12418	2.8
229.14420	8.0
248.03767	5.0
253.09297	3.2
267.12421	5.2
285.20718	5.9
303.21753	14.0
447.25964	7.4
465.13214	4.4
465.19229	27.1
465.26981	100.0
466.27185	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	464.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.4
59.95729	0.9
61.98831	100.0
70.16227	3.5
71.01387	3.0
78.95898	6.0
85.02964	0.9
89.02438	1.6
94.10574	0.8
98.20022	1.2
99.54069	0.8
101.02444	2.0
113.02448	1.5
119.03466	1.0
142.53174	0.9
191.05614	1.1
193.85748	0.9
219.55959	0.9
401.21741	8.6
402.22348	1.5
465.14142	1.5
481.34024	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70362	0.7
55.34820	0.7
59.01381	3.1
61.98831	100.0
71.01375	1.5
71.08929	1.5
71.09273	1.0
71.37395	0.6
81.80186	0.7
88.98796	1.7
89.02471	1.9
93.03433	0.7
96.00907	0.9
119.03489	0.9
121.77502	0.7
147.04613	0.9
151.08879	0.9
164.07242	0.9
173.04555	0.7
191.05647	2.5
263.14001	1.0
333.18442	0.7
360.15897	0.9
464.21857	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	463.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.0
56.88395	0.5
57.03436	1.2
58.00560	0.5
59.01381	22.5
61.98832	7.0
63.51606	0.5
67.88595	0.5
69.75382	1.3
69.75816	1.7
70.44580	0.5
71.01385	10.9
71.82851	0.5
72.99308	3.2
73.02955	3.6
75.00858	0.9
78.95904	1.2
83.01386	3.7
83.05032	3.4
85.02962	5.3
87.00884	0.7
89.02460	2.6
93.03462	0.9
95.01398	0.9
96.60860	0.5
97.02946	0.6
99.00882	1.1
101.02438	9.8
106.06649	1.8
108.04544	0.7
111.00899	0.9
111.04526	2.4
113.02455	3.9
114.05593	0.8
119.03503	0.6
121.73376	0.6
124.04060	0.7
124.07674	1.2
136.07695	3.3
147.90485	0.5
150.05582	0.8
152.99582	0.6
153.82826	0.5
154.05092	0.6
161.04601	1.3
162.94249	0.5
163.11333	2.6
165.01968	1.4
173.04550	1.9
189.09158	1.2
191.05551	1.9
207.10255	1.7
209.11818	1.2
225.11330	0.6
227.12848	0.7
228.09062	0.6
237.18538	1.4
241.09831	2.0
256.12216	1.2
257.09070	0.8
257.10190	0.8
257.12949	9.8
271.02536	1.8
283.19031	0.7
300.02704	2.1
301.03452	1.4
301.06982	0.6
301.11957	4.1
301.20221	3.1
315.13535	2.2
343.12976	2.2
385.22223	0.9
401.66895	0.6
403.24066	0.7
419.18152	2.0
445.24289	2.6
463.25491	100.0
464.19830	0.5
464.25879	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	463.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84574	0.4
55.01876	1.4
57.03444	0.8
58.00605	0.7
59.01379	23.2
61.98836	7.7
69.53333	3.6
71.01012	0.7
71.01385	10.7
72.01720	0.5
72.99308	3.3
73.02953	3.8
75.00879	0.9
78.95915	1.3
83.01384	3.3
83.05032	3.5
85.02947	6.2
86.00072	0.8
87.00868	1.5
89.02466	2.7
93.03444	1.8
95.01394	1.0
99.00874	2.2
99.10909	0.5
101.02438	11.7
106.06609	1.7
108.04549	1.4
111.00891	1.1
111.04508	2.2
111.98264	0.5
113.02464	3.8
119.03470	0.7
122.98582	0.8
124.04090	0.6
124.07662	1.3
136.07658	3.2
150.05666	0.6
151.00352	0.6
152.99545	1.0
154.81276	0.5
159.02983	1.1
161.04570	1.2
163.11270	2.3
165.01924	1.2
173.04555	1.9
189.09196	1.4
191.05605	2.0
207.10268	1.8
209.11757	1.3
224.07016	0.5
225.11328	0.6
227.12920	1.0
237.18774	0.6
241.09889	1.9
256.12289	0.9
257.09787	0.6
257.12939	11.4
258.13254	1.0
271.02472	1.8
300.02826	2.2
301.03622	1.2
301.07251	0.7
301.08249	0.8
301.11792	4.5
301.20123	2.8
315.13504	2.0
340.67035	0.6
343.12878	1.6
385.22235	0.9
417.25436	0.5
419.18295	1.8
445.18802	0.6
445.24408	2.9
463.25510	100.0
464.20169	0.9
464.25922	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	463.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.6
59.01377	2.2
59.09112	0.4
61.98832	0.8
71.01381	0.9
71.52308	0.5
77.15098	0.5
78.95904	6.9
98.20289	0.6
100.29407	0.5
101.02453	0.5
110.98532	5.4
113.09750	1.9
139.90485	0.4
152.99553	0.6
167.01103	2.4
171.10249	0.8
179.14374	1.0
181.12355	1.0
183.10222	0.5
185.02217	5.4
195.13889	14.1
196.14320	0.9
196.94682	0.4
197.48552	0.4
208.61226	0.5
277.21725	14.0
278.22079	1.6
282.85245	0.5
295.22775	100.0
296.23129	9.9
300.02792	1.0
301.03412	0.6
399.45657	0.5
463.09769	0.9
463.24643	16.3
464.24966	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	463.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
56.56094	0.4
57.03452	0.7
59.01381	12.9
61.98833	7.4
69.31787	1.4
69.32212	2.0
71.01379	7.2
72.99280	0.6
73.02933	2.0
75.00868	1.2
80.02671	1.4
81.03458	0.9
83.01370	1.0
83.05029	4.6
84.02153	1.3
84.04546	0.5
85.02946	2.8
87.00878	1.1
87.94261	0.5
89.02444	5.9
93.03464	0.5
95.01388	0.7
95.05015	0.4
98.02468	0.5
98.19946	0.9
99.00887	1.5
101.02443	6.6
104.53038	0.4
106.52404	0.5
113.02455	4.0
119.03506	1.4
125.02399	0.7
125.06091	0.7
149.04559	0.5
151.00369	1.0
151.11316	0.9
153.67238	0.5
161.04596	2.6
163.11328	3.4
165.12843	1.8
172.07715	1.1
173.04572	0.6
179.05629	0.8
181.12421	0.5
191.05663	1.7
191.10808	1.3
198.68518	0.4
209.11823	100.0
210.12175	6.5
225.06609	0.5
227.12886	16.5
228.13188	1.3
253.09280	12.5
254.09633	0.7
255.02831	0.9
268.02625	0.5
271.02548	2.1
300.02777	4.6
301.03549	2.6
301.11948	1.9
331.14020	0.5
331.17654	1.3
439.81497	0.5
463.08594	2.5
463.21338	3.0
463.25815	4.4
464.28195	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29214	1.7
57.03456	3.9
57.64362	1.3
58.00599	2.0
59.01380	100.0
60.01704	1.6
61.98833	16.8
69.03447	2.2
69.86150	7.0
71.01384	55.1
72.01727	2.9
72.99297	1.6
73.01798	1.6
73.02940	12.4
75.00889	1.9
77.97273	1.3
82.71730	1.6
83.01385	4.9
84.02174	6.4
85.02964	12.1
87.00859	2.8
89.02441	11.8
93.03475	2.4
95.01389	3.0
98.20587	1.9
99.00875	4.7
99.04530	4.0
99.86767	1.5
101.02453	21.6
111.00874	2.0
113.02460	15.5
119.03517	6.4
125.02414	3.1
128.03526	2.0
129.35570	1.6
137.09743	1.8
139.07675	4.5
143.03490	2.9
151.00385	8.4
157.05075	3.3
158.05360	1.8
159.02954	4.2
161.04558	26.6
171.08133	2.0
175.11334	1.5
177.12904	7.2
178.99860	2.7
179.05597	4.0
179.10727	6.8
187.11304	2.4
188.08391	3.0
191.05591	2.1
191.10785	1.6
195.13739	1.8
205.12326	43.7
206.12608	2.9
206.99306	1.8
223.13390	71.5
224.13808	4.3
241.14447	60.5
242.14799	4.2
245.04517	1.6
246.02295	4.4
273.03958	4.5
276.43188	1.6
300.10895	2.5
301.03513	5.7
301.11130	9.0
341.05280	2.7
403.19727	10.6
452.74124	1.7
463.09589	1.7
463.16125	7.3
464.16336	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	463.2184
Annotation	Rosiridoside B
Peak:m/z	Relative Intensity
55.01864	2.5
57.03446	3.8
58.00589	2.0
59.01377	81.0
60.01707	1.1
61.98829	35.7
69.03458	2.0
71.01379	55.8
71.52558	1.2
72.99306	2.7
73.02941	19.4
75.00865	2.8
83.01394	7.3
83.05022	3.2
85.02946	22.7
86.00053	1.4
87.00873	3.1
89.02444	26.4
93.03499	1.2
95.01392	4.3
96.96006	3.5
97.02954	2.1
99.00882	9.2
101.02444	40.8
102.02781	1.6
113.02450	24.8
113.95825	1.1
119.03476	6.5
125.02438	3.3
125.06059	1.6
128.03574	1.2
131.03487	4.6
133.34111	1.1
143.03510	1.8
149.04520	7.6
159.02959	4.8
161.04549	26.7
163.11302	2.0
165.09338	1.2
165.12857	1.6
173.04469	1.4
183.10280	2.5
191.05649	3.3
205.12289	1.3
209.11819	63.6
210.12148	5.1
223.13455	1.0
227.12885	14.7
232.71715	1.1
233.06624	1.4
253.09265	10.9
254.09496	1.5
283.11014	1.3
300.02832	2.1
301.03632	1.3
331.17612	39.8
332.17926	2.0
365.18427	1.6
403.19708	4.7
463.21887	100.0
464.22198	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	463.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.5
56.26239	0.6
59.01384	7.9
59.23551	0.6
61.98849	3.1
69.03487	0.5
70.43696	0.4
71.01385	4.8
71.52415	0.5
71.52810	0.9
73.02966	1.4
75.25591	0.4
83.01421	1.0
83.05042	0.6
85.02973	2.4
87.00912	1.3
89.02465	3.8
93.03529	0.5
95.01412	0.5
99.00951	0.6
101.02441	5.0
105.99289	0.5
111.00950	0.5
111.08171	0.7
113.02500	1.8
117.64235	0.5
119.03531	1.2
133.05035	0.6
161.04570	1.3
165.12852	7.8
183.13899	100.0
184.14223	5.7
209.11845	1.7
227.07129	7.7
227.10724	0.9
227.12868	12.2
228.07410	0.8
228.13213	0.9
235.08195	0.9
253.09320	5.7
255.02853	0.5
257.11758	6.0
263.49512	0.5
271.02432	1.2
283.44931	0.5
300.02713	1.4
301.03442	0.6
301.10800	5.8
301.20105	1.0
463.21637	53.9
464.22049	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	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23069	0.6
57.03436	1.2
59.01380	21.8
61.98830	9.2
69.82838	2.1
71.01378	6.7
73.02940	2.0
75.00888	1.0
80.02679	1.0
81.03455	0.7
83.01392	1.1
83.05013	5.2
84.02156	1.1
85.02944	2.4
85.65749	0.6
87.00895	0.8
89.02441	4.7
93.03460	0.8
95.01308	0.7
98.19959	0.9
99.00881	0.8
101.02449	6.6
113.02473	3.1
113.03210	0.5
119.03520	1.3
119.05054	1.3
125.02431	0.6
127.05104	1.0
130.08751	0.8
135.08150	0.8
140.97368	0.5
147.04561	0.8
151.00304	0.8
155.10782	2.0
161.04546	2.7
163.03928	0.8
163.11275	3.7
164.07205	1.1
165.12862	3.1
191.05589	1.8
191.10767	0.9
199.09796	0.9
199.13339	1.3
201.17682	0.6
207.13887	1.0
209.11821	100.0
210.12117	6.0
221.00359	0.6
225.15038	1.0
227.12889	22.9
227.15147	1.2
228.13275	1.5
243.02998	1.6
243.23686	0.7
251.12851	0.7
253.09267	13.7
254.09592	0.7
255.03032	3.4
269.13898	2.2
271.02396	6.0
287.15021	13.2
288.15262	1.2
300.02725	11.5
301.03485	5.4
301.13004	0.8
325.16565	0.8
343.17682	1.3
389.18317	2.9
432.77487	0.8
445.20932	2.3
463.08792	7.6
463.20642	2.9
463.26035	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	18.4
59.45727	0.8
61.98832	6.4
71.01385	6.3
73.02953	2.1
80.05054	1.7
83.01394	1.5
85.02950	5.0
87.00853	0.7
89.02438	2.6
93.03448	1.4
94.06564	0.7
99.00847	1.2
101.02449	5.7
106.06625	7.8
108.04559	16.0
108.33657	0.8
111.04507	0.8
113.02457	3.1
121.05315	1.2
122.06052	1.0
124.04070	3.2
124.07677	8.9
136.07681	35.7
137.08044	1.0
146.15987	0.7
150.05576	3.3
158.40833	0.7
160.61224	0.7
166.05055	1.0
167.72296	0.7
173.04512	1.7
179.46207	0.7
187.33553	0.7
191.05609	5.1
197.13361	0.6
199.13322	1.6
209.11845	1.1
213.06648	1.0
214.12415	1.7
216.13976	1.6
227.08333	0.8
227.12823	5.5
228.08995	2.0
239.11862	3.3
241.09737	5.5
242.10580	1.7
243.02907	0.8
244.13399	2.9
245.07796	0.8
253.09326	1.2
255.11386	1.3
256.12115	4.2
257.12943	100.0
258.13284	7.6
269.13004	1.5
270.13260	0.9
271.02521	1.9
289.88968	0.8
300.02670	4.6
301.03503	2.0
301.11920	49.7
302.12241	4.9
315.13519	21.7
315.16547	0.5
316.13861	2.5
343.12955	20.5
344.13232	1.6
373.13959	2.5
385.22235	1.0
403.15198	1.1
419.18311	6.2
420.18250	1.1
445.24518	1.5
457.61032	0.8
463.08502	1.8
463.10138	1.6
463.17337	13.0
463.25430	39.1
464.17255	1.2
464.26062	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.2
58.00596	0.9
59.01379	100.0
60.01722	1.3
61.98829	31.6
70.00302	2.7
71.01385	18.2
72.99309	1.1
73.02959	1.6
74.02463	0.8
77.28136	0.5
78.10100	0.6
78.70844	0.5
79.66864	0.5
83.01389	1.1
85.02944	4.7
87.00855	1.5
88.98782	0.8
89.02451	27.0
91.35715	0.5
93.03487	1.4
95.01377	0.7
96.96002	0.7
99.00923	0.8
101.02446	9.9
109.02948	0.6
111.00834	0.6
113.02441	8.9
115.91395	0.6
119.03515	11.2
119.04971	0.5
128.03539	1.2
130.08786	1.2
131.03542	1.6
131.07191	1.4
143.03529	2.4
143.04553	0.7
149.04561	1.9
161.04578	4.6
165.09195	3.1
173.04572	2.2
179.05608	7.2
191.05635	3.3
205.12364	1.4
209.11697	1.0
246.02399	2.4
267.09967	0.9
271.17902	0.6
317.72754	0.7
328.00537	0.7
388.38669	0.6
403.19879	2.0
463.22220	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	463.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86906	0.5
59.01380	0.9
61.97351	0.5
61.98829	0.7
62.96427	0.9
68.55213	0.4
78.95898	8.1
110.98520	0.5
112.89487	0.6
148.26373	0.5
149.00089	32.1
150.00349	0.8
171.10278	1.0
194.98854	100.0
195.13878	0.6
195.99265	2.3
209.11816	2.0
277.21698	0.6
295.22797	6.4
300.02432	0.7
308.32169	0.5
389.55130	0.4
463.11157	60.3
463.24948	1.5
464.11462	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	463.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01006	0.4
59.01344	0.6
63.02421	0.5
65.00318	0.9
69.72437	2.7
91.01872	0.6
91.38969	0.5
91.46517	0.5
107.01397	2.8
108.02191	1.1
109.02958	1.4
109.96754	0.4
117.63043	0.5
118.37617	0.5
121.02944	1.3
135.00862	0.9
148.01649	1.5
151.00377	10.3
151.01569	0.8
152.00781	0.7
163.00417	2.5
164.01161	0.7
169.01520	0.7
178.99834	5.7
187.03978	0.9
189.37923	0.5
199.04068	1.2
202.05334	0.5
211.04004	1.4
216.04115	0.5
226.02736	1.8
227.03452	2.9
243.02974	11.7
243.08235	0.5
244.03404	1.0
245.04495	1.3
254.02278	2.5
255.02982	26.0
256.03348	2.0
271.02475	57.4
272.02985	5.7
273.04150	0.6
281.88248	0.5
283.02505	0.5
299.01944	1.5
300.02750	100.0
301.03467	53.5
302.03870	3.2
343.04550	0.8
463.08807	72.1
464.09070	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	463.0883
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
50.75377	0.4
59.01373	1.9
61.98820	0.8
63.02391	0.8
65.00320	1.6
69.24551	0.9
69.24966	2.6
71.01379	1.0
83.01382	0.6
89.02431	0.9
91.01942	0.4
91.68884	0.4
93.03435	0.5
107.01389	2.7
108.02158	1.3
109.02956	1.9
113.01243	0.4
121.02979	1.8
124.01644	0.7
132.35771	0.4
135.00858	0.7
147.04491	0.5
148.01666	1.6
151.00368	11.8
152.00755	0.7
161.02492	0.4
163.00327	2.6
164.01147	0.5
169.01387	0.6
178.99867	5.5
199.03938	0.9
211.03966	1.5
215.03485	0.9
226.02705	2.0
227.03455	3.8
227.12903	0.5
229.04860	0.6
239.03497	0.6
243.02982	12.8
244.03461	1.2
245.04526	1.5
254.02165	2.6
255.02983	27.2
256.03400	2.3
271.02472	66.3
272.02917	6.5
273.04230	0.9
283.02454	0.9
299.02045	1.0
300.02744	100.0
301.03455	46.8
302.03952	3.4
316.02194	3.6
463.08807	69.4
464.09177	8.0
489.42337	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.8
57.03422	1.6
59.01378	30.7
61.98826	19.2
65.00311	2.3
67.01887	3.2
69.03442	2.2
70.63512	2.0
70.63842	3.0
71.01379	72.2
73.02946	19.5
75.00887	8.0
81.03458	4.5
81.98540	1.7
82.03001	3.8
83.01377	5.8
83.05010	1.8
85.02950	20.5
87.00871	3.0
89.02434	14.4
93.03452	5.3
95.01379	2.9
95.05046	2.8
96.00941	2.0
97.02978	7.7
98.02507	3.4
99.00895	7.8
99.04546	7.3
101.02444	30.0
107.01400	4.6
108.04589	2.1
109.02934	4.1
110.02470	5.1
110.06140	3.7
111.00890	23.7
111.04518	7.5
112.04050	3.1
113.02425	16.8
119.03493	6.2
121.02935	4.1
123.04509	2.9
124.03999	1.6
125.02460	1.6
126.05600	4.9
127.04116	1.8
128.03548	16.8
131.03543	1.5
136.04102	2.3
137.02400	2.6
138.05600	11.1
139.04004	19.8
143.03470	5.4
151.00362	23.0
154.05128	12.3
157.05063	46.9
159.02989	2.3
160.06128	4.1
161.04526	11.4
162.09235	2.8
163.00336	1.4
169.05003	2.2
175.00325	4.1
178.08627	1.6
178.99820	11.7
191.05608	2.9
194.04552	2.2
205.01309	1.5
206.08177	5.1
206.99275	3.8
214.07234	4.0
245.04591	3.7
250.07178	6.5
255.03143	1.8
264.08694	4.3
268.08279	7.6
269.08920	1.6
273.04062	13.8
282.09991	2.2
300.10876	100.0
301.03577	13.1
301.11240	6.8
341.05151	6.1
435.09406	3.8
462.06985	1.9
462.08679	1.9
462.16043	28.2
463.09268	2.4
463.16846	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	462.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	7.6
57.03429	4.2
58.00571	3.2
59.01379	66.1
60.01680	1.0
61.98829	12.3
64.83479	0.9
67.01863	2.1
68.29839	0.9
69.03433	1.7
70.02957	1.8
70.13264	3.8
71.01381	100.0
72.01727	1.4
72.99296	4.7
73.02560	1.6
73.02945	28.6
73.67358	0.8
75.00878	7.0
76.02020	1.0
81.03456	2.4
82.02940	1.7
83.01392	15.8
83.05000	1.0
84.02180	1.3
85.02951	36.1
86.03288	1.3
87.00876	3.3
89.02444	28.1
91.89557	0.9
93.03432	2.9
95.01385	6.7
95.04987	1.5
96.00901	3.1
97.02936	4.0
99.00888	11.0
99.04482	4.4
101.02445	87.5
102.02800	1.5
107.01371	1.3
108.04506	1.0
109.02919	3.3
110.02485	6.3
110.06164	1.7
111.00881	9.0
111.04512	5.4
112.04045	1.6
113.02451	31.9
114.01943	4.2
119.03496	9.0
120.04570	1.6
121.02895	2.4
122.06154	1.2
123.04499	2.5
124.04094	1.5
125.02458	2.7
128.03543	5.8
129.10295	1.5
130.08702	1.5
131.03557	1.8
131.04558	2.4
136.04033	1.3
137.02402	2.3
138.05627	6.3
139.04002	12.1
140.03516	1.0
142.05031	1.5
143.03503	7.7
149.04518	1.7
151.00323	2.9
152.03479	1.4
154.05058	3.1
157.05064	31.7
159.02969	4.9
160.06133	1.5
161.04550	23.8
164.03484	2.2
169.09737	1.3
176.03456	1.5
178.99812	1.2
179.05588	4.9
180.56285	1.1
186.07011	2.4
191.05553	2.2
204.06583	2.5
205.12259	3.9
206.08133	3.0
214.07092	3.0
223.13382	8.0
232.06195	1.2
241.14389	6.2
250.07181	8.9
251.07463	1.2
264.08746	6.6
268.08170	2.4
271.02484	1.6
282.09750	2.8
299.01843	2.4
299.15427	5.6
300.10870	61.6
301.03513	1.8
301.11072	3.4
317.16351	3.9
344.09756	2.3
347.17453	2.6
403.19525	1.5
432.18942	1.7
462.15948	55.7
463.16071	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	461.312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.8
57.03443	1.8
59.01387	11.3
61.98821	7.0
69.03446	0.8
71.01382	10.5
72.99329	1.1
73.02949	3.3
78.95905	2.9
83.01386	2.6
85.02954	6.3
86.00091	1.1
87.00882	1.6
87.67284	0.8
92.17930	0.7
95.01371	1.0
98.20263	4.4
99.00865	1.9
101.02448	7.3
107.85834	0.8
110.98536	2.3
111.00877	2.0
113.02447	2.1
114.22753	0.8
125.02448	1.1
152.99565	1.7
167.01102	0.8
195.15550	0.8
195.17499	0.8
206.09142	1.1
225.11322	0.9
225.18498	1.0
233.81352	0.8
253.25214	1.0
293.21207	12.6
294.21524	1.5
298.09650	1.2
299.25897	24.6
300.26239	2.1
317.56088	0.8
443.30124	3.5
453.69165	0.8
461.31201	100.0
462.31573	14.4
462.37955	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	461.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73221	0.7
57.03444	2.6
59.01373	3.5
61.98830	2.5
71.01401	0.7
71.53562	0.8
73.14766	0.7
78.95912	10.3
96.96043	0.9
102.69434	0.7
110.98531	5.3
113.00984	0.8
113.09734	13.9
121.10267	1.3
139.11307	1.8
152.99580	1.4
167.01170	2.8
167.10788	2.6
171.10246	4.2
179.10831	2.2
183.13879	1.9
185.02190	7.2
189.64299	0.8
195.13876	2.8
196.51631	0.9
229.91405	0.7
249.22136	1.0
251.20152	2.1
264.20355	1.6
275.20197	6.0
293.21231	100.0
294.21582	8.8
359.45398	0.8
461.23267	12.8
462.23746	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	461.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.1
57.03424	2.2
59.01381	21.8
61.81860	0.6
61.98840	5.6
62.34874	0.5
67.01879	1.0
68.99810	0.6
71.01385	18.5
71.75172	0.5
72.99301	4.7
73.02952	2.9
75.00874	16.9
81.84811	0.5
83.01379	1.7
84.02143	0.7
85.02468	1.2
85.02955	19.9
87.00880	6.1
89.02441	5.7
95.01386	4.7
96.57529	0.5
97.02958	3.4
97.06577	0.7
99.00285	0.8
99.00887	13.5
99.04531	3.3
101.02432	3.8
103.00371	3.1
106.05698	0.6
109.06573	1.3
111.00865	1.3
111.04466	0.6
113.02451	24.6
115.00346	2.3
117.01907	2.2
125.09720	1.1
129.01897	2.2
131.03476	0.7
141.80040	0.6
142.02660	0.8
157.01410	0.9
163.11240	2.2
175.02467	2.9
181.12317	5.9
193.03566	1.0
199.13290	0.6
205.07062	1.0
207.08363	0.9
207.10245	15.3
208.10526	0.7
211.13393	47.0
212.13652	3.1
225.11310	28.0
225.13585	1.2
226.11620	1.8
231.04980	1.0
235.08206	0.8
237.64105	0.6
243.12386	3.6
249.06169	5.9
253.09294	1.5
255.02965	1.2
267.07202	8.1
269.13626	0.6
332.92490	0.6
443.19174	2.0
461.20102	100.0
462.20541	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.2
57.03422	3.2
59.01382	34.2
60.09432	0.8
61.98810	4.1
64.45614	1.1
67.01889	1.6
69.46403	5.0
69.46821	2.2
71.01383	18.1
72.99303	4.8
73.02946	4.3
75.00481	1.1
75.00874	14.4
83.01365	2.1
85.02954	18.6
87.00856	5.5
89.02454	7.2
95.01389	5.2
97.02928	2.2
98.19874	1.1
99.00871	10.3
101.02433	5.7
103.00346	2.0
109.06573	1.8
111.00887	1.1
113.02451	25.5
115.00378	1.1
117.01887	1.4
119.03510	1.6
129.01964	1.6
135.11792	0.9
135.79553	1.0
143.07063	0.9
157.01315	0.9
161.04526	2.5
163.11263	2.6
175.02449	3.6
181.12288	3.3
207.10242	15.4
209.11864	1.1
211.11481	1.6
211.13388	20.0
212.13695	1.4
225.11301	24.6
226.11543	2.7
231.04932	1.2
243.12239	2.8
249.06119	6.0
253.09210	2.9
255.02948	11.0
267.07092	1.0
269.14078	4.4
273.49170	1.0
283.02396	8.0
284.02844	2.0
297.04068	1.3
298.04721	2.5
299.05591	1.6
401.21808	2.0
410.47586	1.1
425.20068	3.4
446.08383	2.2
461.11142	9.8
461.20148	100.0
462.11133	1.2
462.20575	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	461.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80748	0.5
57.03479	0.9
59.01105	0.9
59.01376	21.1
61.98831	5.5
63.40633	0.6
69.03513	0.7
70.81351	1.3
71.01377	10.5
71.22281	0.6
72.99342	1.1
73.02985	2.2
75.00914	2.3
83.01414	1.5
83.05080	1.2
85.02946	5.9
86.66402	0.6
87.00865	3.0
89.02448	6.7
95.01427	1.3
99.00915	2.0
99.92561	0.7
101.02435	7.7
103.52519	0.6
109.06652	1.1
113.02441	7.1
119.03528	1.7
121.30826	0.6
123.33148	0.6
123.56701	0.6
129.01871	0.5
135.08257	0.7
143.03531	1.0
161.04575	3.4
163.11263	3.6
179.05582	0.8
181.12332	100.0
182.12621	5.5
188.26138	0.6
197.11792	0.6
199.09848	0.7
207.10204	2.8
211.13411	5.2
225.11322	9.9
226.11511	1.0
235.08235	1.5
249.06044	3.1
253.06673	1.0
253.09262	14.7
269.13855	2.6
283.02310	0.7
299.18710	1.1
461.19751	32.3
462.20001	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	461.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52197	2.1
54.84869	2.6
55.01867	4.3
57.03439	3.7
57.39429	2.0
58.00573	3.4
59.01377	43.2
60.96476	2.4
61.98822	15.3
66.92245	2.0
71.01008	4.3
71.01381	61.0
71.01777	3.9
73.02940	23.0
75.00885	2.5
83.01388	9.8
85.02941	33.3
87.00900	2.7
89.02425	11.3
95.01350	2.4
96.96013	2.8
97.02951	3.8
99.00869	7.5
101.02435	43.4
112.55447	2.6
113.02454	25.2
125.02415	2.7
128.03568	4.5
159.03024	3.4
161.04550	28.6
173.04555	4.0
225.11261	8.0
257.35712	2.6
269.10284	100.0
270.10663	7.6
401.14532	69.7
402.14789	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	461.1089
Annotation	5,2',6'-Trihydroxy-7-methoxyflavone 2'-O-glucoside
Peak:m/z	Relative Intensity
59.01374	1.1
61.98817	1.1
69.22653	2.0
71.84806	0.2
74.02463	0.5
83.01393	0.2
97.02907	0.3
101.02470	0.2
107.01380	0.4
114.27574	0.3
119.03516	0.3
132.02170	0.3
133.02901	1.3
148.01660	0.2
151.00323	0.8
165.01959	0.3
200.52620	0.2
211.04028	0.3
227.03465	0.5
255.02959	4.1
256.03674	2.1
270.05316	0.3
283.02460	1.5
284.03244	57.4
285.03534	4.6
298.04797	2.8
299.05591	100.0
300.05920	9.8
396.06781	0.3
461.10883	18.3
462.11218	2.5
462.27036	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79621	0.5
59.01380	6.4
61.98810	1.1
69.93090	2.3
71.01368	1.8
73.02949	0.6
74.55892	0.5
75.00826	0.5
85.02953	1.6
87.00865	0.6
89.02431	2.5
99.00867	1.0
101.02412	1.3
104.00066	0.5
107.01371	0.6
109.06562	0.7
113.02472	1.1
139.17754	0.6
163.00423	0.7
183.04546	0.7
207.10312	1.1
211.13322	1.0
213.48775	0.5
225.11273	1.5
255.02969	79.4
256.03360	7.2
268.03668	0.9
269.04507	5.0
269.14078	2.5
283.02469	59.4
284.03107	13.1
285.03995	2.5
297.04022	12.9
298.04800	14.3
299.05536	9.6
300.06036	0.9
313.03555	4.1
327.05054	0.6
371.47369	0.6
418.56433	0.5
446.08530	18.2
447.08871	1.6
461.10892	100.0
461.19577	2.8
461.24414	3.0
462.11191	11.7
462.25143	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65012	2.1
52.43021	2.0
55.01853	2.2
56.90227	1.9
59.01387	19.3
61.98833	100.0
71.01389	18.0
71.54231	2.5
73.02919	6.0
77.19391	1.9
83.01330	2.2
84.62891	1.9
85.02963	10.8
89.02422	7.0
90.39175	2.3
101.02435	14.1
113.02437	6.3
119.03452	2.6
161.04564	5.0
182.95291	2.2
288.78094	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	461.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.5
58.00589	0.3
59.01381	15.8
61.98828	4.0
63.02393	0.8
65.00319	0.5
67.01882	0.6
69.42121	0.7
69.42529	1.5
71.01385	10.7
72.00864	0.3
72.99306	1.2
73.02939	1.2
75.00878	2.5
77.39414	0.3
83.01378	1.1
85.02954	10.0
87.00865	2.2
87.37999	0.3
88.04045	1.3
88.59948	0.3
89.02438	3.3
91.01898	0.4
93.03461	2.7
95.01384	3.3
96.00919	0.4
96.95981	0.5
97.02949	0.6
99.00892	3.8
99.92570	0.4
101.02450	2.2
103.00367	1.2
107.01402	2.4
109.02943	1.6
109.06583	0.6
111.00822	0.5
111.04518	0.5
113.02449	15.3
114.02766	0.4
114.05645	0.3
115.00369	1.4
115.08782	0.3
117.01958	1.0
117.03447	0.4
119.03484	1.0
119.05072	0.3
121.02916	0.6
124.92078	0.3
125.02387	0.5
128.03529	0.3
129.01930	1.1
130.08714	0.4
131.03458	0.5
131.05028	0.7
133.03000	0.4
135.00848	1.5
137.02386	0.6
141.07146	0.4
143.03520	0.4
143.04994	1.3
145.02965	1.0
151.00363	1.3
151.07666	0.8
153.01886	0.4
153.37468	0.3
154.04193	0.4
155.05020	0.3
156.05850	0.4
157.01424	0.4
157.06604	1.1
158.03688	0.5
159.04494	2.1
161.02481	0.4
161.04495	0.7
162.23981	0.3
163.00348	2.3
163.11224	0.8
165.01881	0.5
167.05011	0.9
168.05760	0.4
169.06584	1.1
171.04517	1.0
173.04608	0.6
173.06024	0.5
175.02524	2.4
179.05579	0.5
182.03714	0.4
183.04483	0.6
184.05348	0.5
185.06067	3.2
187.04016	4.4
189.05597	1.2
189.09146	0.4
191.05571	1.8
192.00732	0.4
195.04494	1.0
197.06015	0.9
199.03943	0.9
201.05537	1.2
207.10344	2.4
211.04051	2.1
212.04771	0.5
213.05603	2.5
214.02669	0.4
215.03546	0.5
219.13881	0.7
225.11310	8.3
227.03494	3.5
229.05038	11.8
230.05423	0.9
239.03517	1.5
240.04204	1.2
240.10272	0.6
241.01387	1.3
241.05017	1.6
241.78299	0.3
242.01981	0.5
243.02951	0.6
245.00847	0.7
253.09236	1.4
255.02972	1.4
256.03745	1.1
257.04565	7.4
263.12903	4.2
267.03000	0.9
270.01630	1.2
271.02399	1.3
281.17682	0.4
284.03271	0.4
285.04041	100.0
286.04379	9.0
286.07361	0.6
298.01157	1.2
299.02032	1.6
299.15195	0.3
401.21970	0.8
417.18158	1.7
418.18338	0.3
461.07190	5.3
461.19260	3.0
461.24884	1.1
462.07526	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1616
Annotation	Cephalezomine J
Peak:m/z	Relative Intensity
59.01369	3.5
59.23005	0.5
61.98819	1.5
64.16767	0.5
66.08524	0.6
71.01375	1.6
71.17296	0.7
71.20432	1.1
72.22581	0.6
78.95888	0.6
89.02428	1.1
93.03465	4.5
96.96001	2.5
96.96928	0.8
101.02418	1.2
108.22906	0.8
113.02396	0.7
114.05652	0.6
117.03447	11.8
119.05025	58.0
120.01246	11.5
120.05324	2.0
121.02974	0.8
127.05180	0.7
128.03551	3.8
130.08688	1.0
131.07114	0.6
133.05334	4.4
133.06322	0.7
134.06128	9.8
137.02411	1.8
144.04503	0.6
144.07803	0.8
145.02953	67.7
146.03296	2.7
147.04501	0.7
160.04044	11.2
161.04433	1.0
167.03456	3.0
168.03023	0.9
172.10870	0.6
173.04536	0.9
191.05566	1.8
204.06660	1.2
213.04279	0.9
237.09241	1.0
253.08675	2.5
280.09772	100.0
281.10132	9.3
286.07220	1.1
291.14587	0.6
298.10831	80.0
299.11142	6.6
329.48877	0.6
380.67856	0.7
417.19995	1.1
459.15659	0.6
460.16959	1.0
460.25003	1.4
461.23080	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01712	1.7
61.98826	8.0
71.01386	11.6
71.53721	1.9
75.40495	2.0
85.02974	2.7
89.02457	8.1
97.38435	1.8
101.02413	4.9
113.02391	4.5
119.03511	3.8
132.51569	1.9
179.84763	1.9
279.23328	6.6
291.19641	5.6
325.20105	6.1
456.04333	2.3
459.29660	56.5
460.29929	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	459.2903
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
51.46086	0.2
52.48164	0.2
63.48458	0.3
77.07943	0.2
78.99716	0.2
98.20717	0.4
107.05029	30.6
108.05370	1.0
121.06542	0.3
123.04530	0.2
147.08179	0.6
160.57556	0.2
163.11284	100.0
164.11607	6.0
214.55267	0.2
229.44984	0.3
238.09962	0.6
280.14651	0.4
283.17026	25.1
284.17371	2.6
293.93771	0.2
294.36707	0.2
295.17017	14.6
296.17426	1.7
459.29031	75.7
460.29343	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	459.2602
Annotation	Cosmosporaside B
Peak:m/z	Relative Intensity
55.01853	0.6
57.03444	0.7
59.01378	100.0
60.01714	1.4
61.98819	3.5
71.01382	9.7
73.02954	2.1
77.81021	0.6
78.91888	0.6
79.82526	0.6
80.80487	0.6
83.01376	1.1
85.02937	3.6
89.02438	3.6
90.61253	0.6
92.08698	0.6
99.00880	1.4
101.02440	6.2
101.27252	0.6
103.72218	0.7
109.02890	0.6
113.02445	4.2
115.32607	0.5
119.03516	1.0
119.05090	0.6
134.03738	0.8
148.05299	0.9
159.02831	0.9
161.04536	4.9
190.05157	0.6
211.13438	2.0
223.13431	1.2
247.10936	2.7
248.11646	3.3
281.21219	0.7
327.15973	0.8
345.17017	0.7
388.03326	0.6
399.23761	3.5
410.83844	0.6
441.24445	2.1
443.49173	0.7
459.25943	26.3
460.26190	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	459.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61882	0.6
59.01380	100.0
59.79715	0.6
60.01704	1.7
61.86736	0.7
61.98851	1.7
64.40919	0.5
71.01388	10.8
71.53835	0.9
73.02948	1.7
83.01427	0.7
85.02966	2.3
89.02439	7.6
95.01363	0.7
99.00889	1.4
100.69920	0.6
101.02444	8.3
113.02461	5.4
119.03508	5.1
131.03523	0.9
143.03506	0.9
161.04597	3.5
161.05820	0.7
179.05638	1.4
222.85254	0.7
253.56796	0.8
253.59042	0.8
399.24115	2.7
459.26245	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	459.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.4
59.01379	100.0
60.01719	1.1
61.98828	4.2
63.60735	0.4
69.71427	1.0
69.71828	2.3
71.01383	7.7
72.99335	0.8
73.02934	2.0
75.00897	0.4
83.01423	0.7
83.05032	0.9
85.02963	2.6
87.00899	0.6
89.02441	7.2
95.01367	0.8
96.00897	0.8
96.96021	0.6
98.02492	0.5
99.00917	0.6
101.02445	5.9
113.02459	4.6
116.92908	0.5
119.03514	2.3
123.21228	0.4
130.08760	1.7
131.09145	0.8
143.04614	0.6
145.43500	0.4
159.03064	0.7
161.04562	4.7
166.05177	0.6
173.04727	0.5
179.05659	1.2
205.05077	0.5
223.13416	0.9
233.04611	0.5
239.71425	0.4
249.73940	0.4
267.12302	0.5
399.24023	2.8
424.23853	1.2
459.12906	0.6
459.22168	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	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.5
56.12512	0.3
56.50953	0.3
57.03451	0.6
59.01381	100.0
60.01720	0.9
61.98832	4.3
70.88867	0.7
71.01382	9.4
72.99311	0.5
73.02940	2.6
83.01389	1.0
85.02951	4.1
87.00895	1.2
87.04519	0.5
89.02452	2.6
95.01395	1.0
99.00906	0.8
101.02444	4.2
110.74253	0.3
113.02445	6.9
119.03512	0.6
120.01242	0.5
125.02480	0.6
143.03578	0.5
159.03072	0.6
161.04536	3.7
177.34770	0.4
191.03477	0.5
201.11343	0.5
208.43524	0.3
223.13516	0.3
224.82040	0.4
247.15051	0.3
248.11646	0.5
252.53302	0.4
255.19695	0.4
343.21518	1.0
399.23911	5.7
417.25226	1.9
459.21967	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01170	0.4
59.01371	2.0
61.03579	0.4
70.64760	0.9
71.01384	0.4
72.46706	0.4
78.95481	0.7
78.95905	9.2
80.96482	0.4
89.57941	0.4
116.46880	0.3
125.00084	3.3
152.99568	3.6
159.72688	0.4
163.61060	0.4
181.02673	1.6
199.03758	3.9
207.80518	0.4
218.42355	0.5
223.45213	0.4
277.21704	100.0
278.22064	9.2
278.90448	0.5
458.70868	0.5
459.25150	5.7
460.25153	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94563	1.2
52.09480	1.3
56.05872	1.5
58.02964	6.1
59.01382	22.8
61.98832	12.8
62.74033	1.2
71.01390	10.2
71.02524	2.5
71.54538	2.3
72.00910	5.2
73.04081	6.2
74.02476	27.7
74.02859	2.6
78.95902	1.5
82.06660	1.8
84.00906	1.3
85.02971	2.7
85.14216	1.4
86.02484	3.6
87.05632	2.7
88.04067	1.7
89.02454	5.3
90.20754	1.6
96.00946	2.6
96.96009	2.8
98.02490	1.7
99.05685	2.0
101.02457	2.9
101.07175	1.6
104.03538	20.9
109.01748	2.0
112.07691	3.0
113.02485	5.4
114.01962	3.7
115.08778	46.8
119.03488	1.6
119.05061	4.8
121.02955	1.6
123.04488	1.6
125.46411	1.4
126.09253	4.6
127.05145	3.7
128.03549	5.6
129.10327	8.7
130.08739	24.7
131.09106	1.9
138.05606	4.4
138.09267	2.6
139.08789	6.2
140.07169	5.2
141.06665	1.6
141.10379	2.9
143.11876	12.0
145.02992	4.2
145.06203	3.2
152.07216	5.3
153.10333	4.0
154.09863	1.4
155.08296	5.5
155.11931	16.4
157.09827	54.3
164.97507	1.6
165.10333	1.9
166.08783	2.8
169.09808	12.4
171.11501	2.5
172.10938	9.2
173.04591	3.2
173.12997	2.8
179.05681	1.8
180.10330	2.0
181.09923	1.8
183.11314	2.1
186.12532	5.7
187.10852	8.7
191.05724	3.2
196.11018	2.0
197.09320	2.0
197.12964	2.0
200.14003	13.4
209.09502	1.7
210.07730	2.5
212.14037	10.1
214.12050	4.6
215.10356	2.8
217.12045	2.8
223.09840	2.0
224.17702	4.0
225.16074	3.0
230.15134	2.5
242.18719	7.3
243.17137	1.8
244.12964	1.7
266.18823	1.5
268.20053	1.6
281.19833	6.9
298.10889	9.8
299.20938	16.3
310.17987	2.8
311.20981	5.0
323.16217	6.3
328.18750	7.7
329.22131	9.5
341.22064	1.8
345.22906	2.5
353.21869	9.3
385.20898	42.1
386.21365	3.3
397.20984	4.4
411.22549	3.3
415.21973	100.0
416.22214	10.8
429.23672	3.1
441.23425	8.9
459.24716	61.2
460.25494	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	459.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.5
58.00598	0.5
59.01378	100.0
60.01711	1.1
61.98827	4.8
69.75282	2.5
71.01380	9.0
72.99329	0.7
73.02956	1.1
80.96540	0.6
83.01402	0.9
85.02938	2.7
87.00890	1.2
88.04066	0.6
89.02444	9.3
94.00459	0.4
95.01377	1.0
96.96004	0.9
96.96974	1.2
97.06629	0.7
98.20542	0.9
99.00906	0.7
99.83847	0.5
101.02441	5.9
113.02447	3.8
119.03515	3.6
119.05043	0.7
128.03596	0.6
161.04576	1.5
163.04010	0.6
171.10277	0.6
179.05611	0.8
183.14005	0.6
187.68652	0.4
191.05614	0.5
223.13419	0.5
227.03535	0.8
236.14024	0.5
255.02968	2.1
284.03204	2.0
285.04132	1.0
297.20865	0.4
298.16681	0.5
304.06995	1.6
304.57175	0.8
343.21619	0.5
365.05652	0.4
399.24026	0.7
403.50568	0.5
459.21619	2.1
460.25616	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.7
70.02963	12.5
70.85585	4.1
70.88522	1.8
71.01010	2.1
71.01382	29.8
71.02460	2.2
82.06597	3.2
87.05612	6.6
88.03519	3.2
88.04045	52.0
96.00913	46.8
98.02483	10.7
109.01701	2.3
111.01990	4.8
113.03571	18.0
114.01970	9.1
115.00383	34.8
115.08840	2.6
124.07672	5.1
129.10335	18.1
130.08759	16.5
131.04642	9.0
132.03024	30.3
138.09212	5.2
139.08751	7.9
140.07166	3.6
151.08792	6.9
152.06195	2.3
152.07201	23.3
155.08261	17.0
155.11887	2.5
164.04596	3.5
166.08684	4.2
168.09077	2.2
169.09798	3.1
178.11115	2.1
181.13434	3.4
183.15085	2.5
193.13501	16.6
195.07683	3.9
201.12457	12.4
210.16087	4.6
211.14519	44.4
212.10342	3.5
221.16544	6.9
222.76820	2.1
227.10315	2.4
228.17172	14.6
229.15567	5.1
246.16074	7.0
247.14453	6.0
264.17188	20.9
265.15427	4.6
281.19702	4.1
282.18155	2.7
290.15186	14.3
308.16135	18.6
309.14490	29.3
310.14740	2.7
325.18811	30.6
326.17029	26.3
327.15402	4.2
343.19946	10.6
344.18231	35.9
345.18542	5.1
380.18347	12.6
401.87540	1.8
424.17194	42.7
425.17407	4.2
441.19876	38.7
442.18304	17.3
459.20953	100.0
460.21179	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	459.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	3.3
70.02967	8.6
70.19109	7.7
71.01385	28.8
81.02208	3.0
82.06615	2.9
83.66505	1.8
85.02954	2.0
87.05618	5.8
88.03525	2.5
88.04047	44.0
96.00916	50.5
96.95994	12.8
96.96904	1.9
98.02448	11.2
109.01696	4.5
111.01991	3.4
113.03584	18.4
114.01963	9.2
114.99677	2.9
115.00389	34.5
115.08752	5.3
120.01234	3.4
124.07664	3.4
125.07188	5.0
127.05145	1.7
128.03526	8.8
129.10338	18.9
130.08749	17.7
131.04599	6.4
132.02095	3.2
132.03027	38.2
137.91806	2.0
138.09212	6.2
139.08742	5.9
140.07208	3.2
141.06635	5.1
146.04544	1.9
151.08716	6.5
152.07179	23.2
152.08286	3.1
153.06627	2.5
155.08255	15.2
157.13417	2.2
164.04662	2.2
166.08687	4.7
169.09729	2.3
181.07291	2.5
183.15063	3.3
185.05710	2.0
193.13428	19.2
195.07655	6.2
201.12436	8.0
208.99138	4.9
210.16080	4.5
211.14522	44.9
212.14696	2.2
219.15131	2.6
221.16560	4.4
227.10255	4.7
228.17198	16.6
229.05124	1.9
229.15569	3.8
246.16087	4.3
247.14433	6.5
254.14946	2.3
264.17178	19.1
265.15500	7.1
267.08978	2.3
281.19708	4.0
290.15088	12.4
307.17728	3.0
308.16086	17.0
309.14481	26.6
310.14932	2.5
323.13333	2.4
325.18814	32.3
326.17130	22.8
327.15646	2.3
343.19849	9.2
344.18225	30.0
345.18405	2.9
371.04169	4.7
380.18326	11.2
381.18582	2.3
423.19058	2.3
424.11923	3.7
424.17252	39.6
425.17572	4.6
441.19876	37.7
442.18265	16.4
459.20871	100.0
460.21494	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	459.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	5.1
69.80984	6.8
69.81390	3.7
70.02988	9.7
71.01011	2.7
71.01379	30.0
73.04053	2.3
74.02471	3.3
82.02962	3.1
87.05616	5.5
88.03527	2.6
88.04042	44.5
96.00915	47.3
96.96012	15.8
98.02454	8.0
98.19926	1.9
102.05544	2.6
109.01672	5.0
111.01997	3.1
113.03579	11.9
114.01964	10.3
115.00381	32.1
115.08720	5.2
116.07161	1.9
120.01223	3.2
124.07657	2.9
126.05618	2.3
126.06624	1.7
127.05104	3.3
128.03503	15.9
129.10342	16.9
130.08748	16.0
131.04596	6.8
132.03033	32.9
138.09209	5.5
139.08736	6.1
140.07123	4.6
141.06700	4.9
146.04610	2.6
151.08681	4.3
152.07150	25.8
155.08279	14.2
157.13512	2.4
164.04559	2.5
166.08682	5.1
178.11073	1.8
180.10306	2.1
180.44621	1.9
187.10992	2.1
191.05540	3.2
193.13458	12.2
194.09132	1.9
195.07651	4.9
201.12392	8.1
208.99072	4.8
210.16057	4.3
211.14514	36.4
212.01088	2.0
212.10287	3.4
212.14705	2.7
221.16469	6.1
227.10338	3.3
228.17149	14.3
229.15486	3.3
245.11383	2.4
246.15976	4.1
247.14406	6.1
264.17111	17.6
265.15448	5.5
278.80133	1.8
282.18262	4.5
283.16736	2.3
286.17645	3.2
290.15009	12.8
307.17712	2.2
308.16132	17.8
309.14450	28.6
310.14529	2.4
325.18726	31.3
326.17099	22.1
327.15204	2.4
334.83426	2.3
343.19766	12.0
344.18179	32.9
345.18307	3.6
371.04291	2.8
380.18143	9.9
415.22028	2.6
423.18179	2.6
424.17184	40.5
425.17465	4.2
441.14072	2.2
441.19778	37.5
442.18542	13.5
459.20721	100.0
460.21246	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	459.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06925	0.9
59.01368	2.7
61.19550	0.9
61.98829	4.3
71.01377	2.8
71.36732	1.1
71.37071	1.6
72.52267	0.8
73.02943	50.1
88.04054	1.2
89.02427	2.0
90.52158	0.9
96.96004	0.9
99.00883	5.6
115.00350	1.2
116.92896	1.3
117.01938	100.0
118.02279	1.9
148.98579	1.2
156.99913	1.6
174.96512	2.1
211.01024	1.0
219.05060	1.1
282.19284	1.2
315.21750	1.0
327.99515	1.2
336.99374	1.1
341.10916	2.7
341.98026	1.1
351.00717	1.5
384.37445	1.0
459.12207	1.1
459.21417	1.3
460.24530	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	4.0
61.17260	1.0
61.24018	1.0
61.98823	4.9
71.01366	2.7
73.02945	46.2
89.02442	4.5
98.19845	1.6
99.00874	4.9
101.02442	1.7
113.02448	1.6
117.01939	100.0
118.02269	2.9
191.05499	1.0
256.48184	1.0
294.97986	1.6
341.10654	5.8
387.56665	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	459.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70921	0.5
59.01377	10.9
61.98820	2.7
71.01375	2.0
72.00917	0.9
73.02946	0.9
75.00870	1.5
77.44094	0.5
83.02997	0.5
85.02955	0.8
87.00826	0.6
89.02437	1.1
98.20662	1.3
101.02440	1.3
113.02438	1.1
114.98578	0.6
117.59071	0.6
121.02955	100.0
122.03286	3.3
132.04578	1.2
161.04491	0.6
180.05772	0.8
181.06598	5.0
214.73206	0.5
225.05554	7.4
226.05869	0.8
290.31882	0.6
307.57294	0.5
313.07150	20.0
314.07428	1.8
327.64426	0.6
356.68149	0.6
357.06152	6.3
371.07681	0.6
399.24030	1.1
401.08740	64.5
402.09201	7.5
459.14291	3.2
459.26059	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02962	3.6
59.01363	4.7
59.33216	1.0
59.92901	1.1
60.63847	1.2
61.98825	4.5
62.20329	1.1
63.14332	1.1
65.83583	1.1
70.02975	3.1
71.01379	4.5
71.02508	25.8
74.02473	2.9
81.02188	4.2
82.02984	4.6
88.04062	2.5
89.02443	2.3
95.02498	1.2
96.00913	10.0
98.02476	18.2
101.02425	1.8
102.05620	1.7
108.08195	1.4
109.01713	9.6
109.02922	6.6
109.04057	1.5
111.40108	1.2
112.05164	2.1
113.03577	9.3
114.01942	3.7
114.05626	1.5
115.08741	3.0
115.18254	1.3
116.07166	3.5
124.03992	1.4
124.07701	3.4
125.07186	4.0
126.05602	3.3
126.09258	1.3
126.73962	1.1
127.05125	3.7
128.03496	5.8
129.10323	3.8
130.06219	31.8
130.08736	56.6
130.46825	1.3
131.04620	1.9
131.09129	1.9
132.02982	1.5
138.05618	1.5
138.09229	18.4
140.07188	2.8
141.10352	1.4
143.11899	4.6
145.02965	2.4
145.06143	3.5
151.08694	2.7
152.07156	20.7
153.01910	8.5
154.01472	1.2
154.08714	2.5
155.11818	1.3
161.03552	1.4
162.25667	1.3
163.04028	2.1
163.08792	2.0
164.09538	2.6
165.09125	1.2
166.08730	3.5
168.09059	1.4
169.09833	2.4
183.14990	2.3
185.16618	2.7
186.12482	3.7
187.10847	1.7
192.01140	1.7
195.07765	2.6
196.06122	4.4
200.13968	3.8
204.09000	2.7
211.14470	9.9
219.14990	3.1
221.16533	7.9
222.14944	1.7
228.06340	1.6
229.15567	2.5
239.17639	2.1
242.18741	1.7
247.14510	9.6
248.03964	3.1
256.20300	1.5
265.15451	6.8
281.19824	1.8
299.20929	2.4
300.15887	1.4
309.14548	100.0
310.14847	11.1
326.17191	1.6
327.16000	6.4
414.23572	6.8
428.24805	2.5
440.21481	65.7
441.21701	8.6
449.29840	1.3
449.46964	1.3
458.22299	13.7
458.26929	8.7
459.15417	2.0
459.25119	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	457.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.0
57.03438	1.9
59.01106	0.8
59.01382	12.3
61.98823	3.8
69.03450	0.9
71.01381	13.2
71.05080	0.4
71.53275	0.5
72.99308	1.2
73.02943	3.5
83.01383	3.2
85.02954	6.5
87.00869	1.7
89.02438	2.4
93.98297	0.5
95.01385	1.3
97.02954	0.7
99.00888	1.1
101.02440	6.8
101.29964	0.4
111.00899	1.8
113.02453	2.6
113.68098	0.5
119.03564	0.7
125.02439	0.8
163.01303	0.4
180.94150	2.6
218.80251	0.5
221.84135	0.4
265.21735	0.6
277.21738	1.7
295.22778	21.3
296.23090	1.7
415.01453	0.5
439.26859	2.8
457.28064	100.0
458.28366	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	458.188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.5
61.98830	100.0
62.98521	0.4
65.22736	0.3
70.38332	0.9
71.01369	0.6
89.02470	0.4
93.68613	0.3
98.38866	0.3
121.77777	0.3
167.76076	0.3
259.90179	0.3
402.67084	0.3
403.45398	0.3
459.22382	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.1
57.03445	1.0
58.00598	1.8
58.94784	0.2
59.01381	37.7
60.01720	0.2
61.98833	2.6
69.27173	1.8
69.27593	0.5
69.82306	0.2
71.01383	23.4
72.01714	0.3
72.99305	3.1
73.02945	2.3
73.66946	0.2
75.00877	0.3
83.01392	2.3
85.02952	6.4
87.00877	1.3
89.02445	15.5
95.01373	1.8
97.02977	0.4
99.00888	0.8
101.02450	13.3
111.00887	0.6
113.02451	6.5
119.03509	4.7
124.01711	0.3
125.02508	0.3
126.23001	0.2
131.03529	0.4
139.95218	0.2
149.04617	0.3
179.05600	0.4
196.23840	0.2
223.17032	2.2
224.17409	0.3
237.18576	0.3
277.21713	8.2
278.22144	0.6
295.22769	7.0
296.23135	0.6
338.27258	0.3
385.21790	0.4
394.17343	0.5
439.27036	1.3
440.95874	0.3
457.28052	100.0
458.28406	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	457.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	18.2
61.98817	5.7
68.43082	3.7
71.01400	7.3
71.47121	4.1
71.52605	6.2
82.55129	3.8
88.65107	3.7
89.02438	12.4
90.98640	3.8
91.36474	3.7
94.45388	3.7
100.19776	3.7
109.44446	3.9
136.08856	4.0
161.04620	4.2
176.36559	3.8
179.05612	9.6
277.21695	100.0
278.21982	11.5
457.35956	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
57.03431	2.0
58.00581	1.7
59.01379	37.4
59.07393	0.5
61.98832	0.6
66.59755	0.6
71.01384	24.1
71.54185	0.7
72.99297	1.9
73.02928	1.3
83.01403	3.0
85.02963	6.6
87.00903	0.7
89.02442	17.6
95.01385	1.8
95.79517	0.5
99.00897	0.8
101.02439	12.4
111.00887	0.6
113.02456	7.3
119.03515	5.5
131.03444	0.8
138.88110	0.5
149.04541	0.5
153.09171	0.6
159.10260	1.2
161.75842	0.6
197.11839	1.6
223.17082	3.0
235.10783	0.5
277.21722	6.8
295.22784	5.3
295.68378	0.6
296.23279	0.7
439.27570	1.5
457.28107	100.0
458.28467	15.3
458.34000	0.5
469.35516	0.6
477.17047	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02970	2.0
59.01380	5.4
61.98822	7.8
65.14344	0.8
66.03475	1.5
68.82441	0.8
70.02981	1.3
70.99990	1.9
71.01377	1.6
71.02510	8.2
72.00883	0.8
73.04073	1.9
74.02474	2.5
77.93477	0.9
78.95911	4.6
82.02972	2.7
84.04536	5.5
85.02934	1.2
87.00890	1.4
87.05604	1.1
88.04031	2.8
89.02452	1.7
96.00903	3.3
96.96964	3.9
98.02472	4.6
99.04655	0.8
101.02439	1.1
101.07146	1.2
102.05606	33.0
109.01652	1.9
112.05167	1.1
113.02442	1.2
113.03545	4.1
114.01968	2.1
114.05621	1.6
115.08768	28.0
116.07172	5.3
119.05040	2.8
125.07174	2.3
126.05592	2.1
127.05122	1.5
128.03535	100.0
129.03864	3.0
129.10316	6.3
130.06224	6.9
130.08734	28.2
138.09256	4.7
139.08774	1.0
140.07191	3.5
140.77545	0.9
144.07788	1.3
145.02959	2.2
145.06209	2.0
146.04593	23.5
146.06445	0.9
150.12929	1.4
151.08659	0.9
152.07198	5.2
154.12436	1.1
155.08235	1.2
157.13451	1.3
163.03952	2.1
165.00273	1.3
167.11797	1.9
169.09789	1.2
169.13490	3.2
171.15021	6.6
172.10957	1.1
173.04514	1.3
181.13367	1.0
183.15034	2.2
185.16614	3.2
186.12433	1.4
191.05569	2.9
192.01186	2.0
193.13431	2.8
194.11896	2.5
196.06149	1.7
197.12955	4.5
211.14534	3.1
214.15581	3.3
215.13986	7.1
219.15053	1.0
221.16618	3.4
229.15591	2.9
247.14507	1.9
248.03880	2.9
249.04182	1.6
265.15533	1.9
266.22409	2.4
270.21851	1.8
284.23486	3.3
292.02823	1.9
299.20734	1.4
309.14536	27.4
309.22833	2.3
311.58301	0.9
326.17166	1.6
327.15652	2.0
328.18689	1.0
328.22394	27.7
328.25607	1.1
329.22778	2.7
413.27582	4.4
414.23801	4.8
423.18497	1.6
428.24744	1.1
440.21475	18.3
457.26688	75.6
458.27319	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	457.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23443	0.6
58.25281	0.6
59.01381	100.0
60.01712	1.2
61.98824	3.7
69.46100	5.2
69.92954	0.6
71.01384	11.4
73.02959	2.6
83.01401	1.4
85.02953	4.5
88.02184	0.7
89.02450	3.6
93.03491	0.8
95.01418	1.1
98.19853	1.0
99.00904	1.4
101.02434	7.8
101.57362	0.8
111.08298	0.7
113.02444	4.4
119.03560	1.0
143.03560	0.7
159.03030	1.0
161.04568	9.9
173.04543	0.9
191.05618	2.5
397.22232	5.8
457.24191	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27077	0.9
50.85761	1.0
59.01378	25.2
61.98829	14.4
69.03455	1.6
70.02974	2.3
71.01378	11.9
71.55035	1.4
72.05996	0.8
73.02945	2.0
78.95922	1.9
80.21035	0.8
82.06628	1.8
83.01376	1.3
83.33620	0.9
84.08165	1.3
85.02938	3.1
86.22948	0.8
87.00880	7.4
87.05627	3.1
88.00414	1.2
88.04030	3.4
89.02441	8.4
93.03455	1.2
96.00913	21.9
96.96024	1.1
98.02475	38.5
99.00874	1.7
99.02843	1.4
101.02430	6.8
109.01654	1.7
111.00831	1.3
111.02007	1.6
113.02443	4.5
113.03571	7.0
114.01957	1.5
119.03493	4.1
123.03316	1.0
128.03540	1.1
129.10342	2.8
130.08739	85.4
131.04623	7.1
131.09100	2.2
132.03047	1.9
138.09268	1.1
139.08672	1.0
141.06702	1.8
151.08707	0.9
152.99577	1.1
161.04533	1.2
165.10286	1.8
166.07446	1.9
166.08707	3.9
168.09055	2.1
173.04494	1.8
179.05595	1.2
181.13432	1.6
183.11356	1.3
183.15025	12.3
185.16605	6.7
186.54349	1.0
191.05559	3.2
209.09296	2.9
209.12965	3.3
211.14502	4.2
221.16234	1.1
229.15756	9.9
342.23969	1.1
378.24030	3.7
413.27707	2.9
422.22946	100.0
423.23267	12.7
439.25644	19.7
440.24918	3.9
457.13248	1.4
457.20248	5.7
457.26584	15.6
458.26666	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	457.2443
Annotation	(-)-Tetrazomine
Peak:m/z	Relative Intensity
55.01874	1.5
57.03438	1.4
58.00591	0.8
59.01379	21.6
61.98837	0.6
62.36190	0.4
71.01382	15.1
71.05022	10.2
72.99300	1.3
73.02945	4.1
78.14019	0.4
81.03422	0.4
83.01363	2.2
85.02950	6.1
87.00867	1.1
87.13430	0.4
89.01933	0.7
89.02444	7.4
95.01382	1.7
97.02953	2.2
97.92207	0.3
98.19888	1.0
99.00882	1.5
101.02444	9.3
111.00838	0.4
113.02467	5.7
115.04012	35.0
116.04324	0.8
119.03496	2.4
129.01970	0.6
161.04578	0.5
191.05582	0.5
192.58188	0.4
215.17931	0.5
217.19533	0.6
219.17372	0.4
229.53426	0.4
271.61099	0.3
277.18106	0.9
279.19641	6.9
295.19061	1.6
439.23331	6.3
440.23499	0.8
457.24408	100.0
458.24734	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	457.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
57.03438	0.8
58.00611	0.7
59.01379	100.0
60.01722	1.1
61.98830	9.1
71.01382	18.5
71.52720	0.7
72.99308	1.0
73.02944	4.2
83.01404	2.1
85.02950	8.2
85.03404	0.7
87.00887	1.3
89.02448	13.4
95.01403	1.0
99.00903	1.9
101.02447	14.3
111.08228	0.5
113.02453	7.5
119.03500	4.6
120.03264	0.5
125.02510	0.7
131.03528	0.7
143.03528	1.3
149.04552	0.9
159.03004	1.0
161.04550	9.2
173.04547	0.6
179.05586	3.1
191.05597	2.3
214.91628	0.5
272.97397	0.5
294.71725	0.5
295.19177	1.1
334.70453	0.5
334.74655	0.5
397.22229	2.5
457.18002	1.1
457.24469	17.4
458.24893	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	457.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.4
59.01381	100.0
60.01719	0.8
61.98838	0.9
69.18757	0.3
71.01379	6.0
73.02950	1.9
77.55325	0.3
83.01399	0.5
83.05052	0.5
85.02946	2.6
89.02449	3.1
95.01394	0.6
98.19846	0.5
99.00871	0.9
101.02450	4.4
113.02447	2.4
119.03551	1.4
123.52642	0.3
129.01935	0.3
131.03505	0.3
159.03017	0.5
161.04575	3.1
179.05655	0.3
217.70851	0.3
229.21004	0.4
237.78729	0.3
261.99963	0.3
270.34253	0.3
397.22345	5.8
398.22623	0.6
457.29797	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
55.72519	0.7
57.82486	0.6
59.01381	100.0
60.01707	1.5
61.98831	3.7
71.01382	10.8
71.54102	0.7
73.02950	2.2
83.01376	1.7
85.02942	4.5
89.02460	2.9
99.00887	1.0
101.02426	6.8
113.02444	3.5
119.03514	1.0
133.08678	0.6
135.04555	0.6
143.03580	0.7
147.48448	0.7
150.09106	0.6
155.18167	0.6
159.02968	1.6
161.04570	8.5
167.82433	0.6
173.04651	1.4
191.05647	1.7
201.91985	0.5
217.16046	1.1
397.22330	5.7
441.21103	1.0
457.24249	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	457.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46618	0.1
69.80857	0.5
73.32203	0.1
93.89802	0.1
98.19987	0.3
99.92580	6.0
100.92677	0.3
100.93357	5.8
101.93392	0.3
113.92613	0.3
115.92075	100.0
116.92082	5.1
116.92863	6.5
117.92773	0.2
128.36841	0.1
132.92372	0.8
142.94389	0.4
155.95222	0.2
172.95459	5.2
173.95528	0.4
201.96870	0.1
283.26477	0.7
383.18845	0.6
384.19501	0.2
399.18555	0.2
409.20392	0.9
457.22586	4.1
458.22717	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90834	0.6
58.86194	0.7
59.01378	3.4
61.98830	100.0
66.15321	0.7
68.25939	0.6
68.80111	0.6
69.28228	5.6
71.01411	1.0
78.95918	0.7
85.02956	0.7
87.05650	0.7
89.02463	0.8
96.95981	0.9
96.96965	0.8
101.02463	0.9
106.76162	0.6
108.02192	1.0
113.03619	0.9
114.05603	1.7
116.07166	0.7
130.08748	1.9
131.04657	0.7
152.01207	2.2
153.01434	1.0
166.08720	0.7
167.03503	3.0
168.03816	1.5
178.46638	0.7
193.01346	0.6
205.62358	0.6
209.11797	1.4
228.14342	1.0
396.18997	0.7
456.26102	1.2
456.28342	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	456.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00790	0.4
59.01382	23.5
61.68000	0.5
61.98832	100.0
69.45287	3.2
71.01385	4.9
73.02941	1.2
74.02483	0.6
77.95394	0.5
83.01420	0.9
85.02962	1.7
89.02449	3.1
101.02438	3.7
113.02470	2.3
117.22568	0.5
118.46231	0.5
119.03451	0.8
122.94801	0.5
161.04565	1.3
173.04599	0.4
191.05673	0.8
196.30986	0.5
252.45976	0.6
269.54681	0.5
326.25146	0.5
333.19205	0.9
370.23575	0.7
375.20221	0.7
393.21286	17.4
394.21783	1.4
456.23325	0.6
457.24472	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87984	1.5
58.00581	2.1
59.01376	50.0
61.98829	2.9
62.30484	1.7
69.31343	14.5
71.01011	3.6
71.01380	49.1
72.99318	3.6
83.01383	2.0
85.02945	5.0
87.00838	2.4
89.02444	62.3
90.02807	1.8
93.67987	1.8
95.01397	1.8
98.20636	3.8
101.02443	21.0
107.49677	1.5
112.98773	4.6
113.01700	2.6
113.02436	18.7
113.99107	2.2
114.05598	25.5
115.00368	20.3
119.03495	22.7
119.04939	1.8
131.03479	3.6
131.54579	1.8
133.01482	2.5
143.03494	4.9
149.04572	2.7
161.04547	7.0
179.05606	26.2
179.08206	1.6
196.99362	1.7
246.51620	2.0
341.10873	100.0
342.11209	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	456.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	2.6
59.01380	53.6
61.98836	21.8
69.64198	6.4
69.64612	3.9
71.01011	3.1
71.01384	46.7
72.99310	4.8
73.73317	1.7
78.95883	1.7
80.49446	1.7
85.02950	7.0
87.00880	4.5
89.02440	59.0
89.69850	1.7
95.01402	1.8
100.73822	1.7
101.02444	19.4
112.89622	2.5
113.02480	13.3
114.05615	25.7
114.98843	1.7
115.00359	24.8
119.03493	20.4
120.95699	1.6
126.98940	2.5
127.76491	1.5
131.03500	3.1
133.01418	2.2
143.03520	5.4
146.96448	2.2
161.04504	6.8
165.39546	1.6
179.05606	28.9
210.02507	2.7
217.97824	1.8
284.73080	1.6
341.10858	100.0
342.11176	6.4
354.98987	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	456.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.4
61.98828	100.0
70.81060	0.7
70.81425	0.3
71.01363	0.5
78.95886	0.4
89.02437	0.4
96.96023	0.6
116.07158	0.4
130.08763	0.7
173.72215	0.3
185.11870	1.2
191.05563	0.5
206.71902	0.3
257.44427	0.4
456.28400	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	455.3525
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
59.01392	0.8
61.98851	0.9
71.53667	0.7
71.54093	0.8
255.23366	1.8
306.21619	0.8
407.33081	0.7
455.35312	100.0
456.35620	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	455.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
60.55864	0.6
62.02775	0.7
71.54015	0.9
98.21411	0.6
100.56631	0.7
104.50246	0.6
106.75237	0.7
235.91933	0.7
255.23337	0.7
320.56763	0.7
375.02982	0.7
455.35309	100.0
456.35648	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2651
Annotation	Dendronpholide L
Peak:m/z	Relative Intensity
55.01865	2.6
57.03437	1.8
58.00596	4.6
59.01381	100.0
61.98810	1.3
71.01384	62.9
71.05015	2.4
72.99297	4.5
73.02947	1.8
83.01394	2.5
85.02943	9.8
87.00903	2.9
89.02444	71.3
90.02806	1.2
95.01368	3.7
98.19908	2.3
99.00858	1.7
101.02438	39.0
101.03101	1.9
112.42966	1.2
113.02451	24.1
119.02658	2.1
119.03502	33.1
119.83796	1.1
126.01369	1.0
131.03510	4.2
143.03481	3.2
149.04536	3.4
161.04613	2.0
179.05615	5.1
187.80072	1.1
203.14304	1.3
223.13216	1.1
230.96585	1.1
268.65073	1.3
275.20151	30.4
276.20462	3.0
277.21921	1.5
293.21225	11.0
455.26495	76.4
456.26807	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	455.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.5
56.50954	1.1
57.03439	1.9
57.54831	1.4
59.01381	80.1
61.98540	1.7
61.98832	22.1
69.03452	1.6
69.95128	5.7
71.01012	1.8
71.01383	26.9
73.02946	12.6
73.04065	1.3
75.00871	1.5
78.32040	1.2
78.36311	1.0
78.95894	9.2
81.06445	1.0
83.01401	7.8
85.02955	15.1
87.00871	1.5
89.02445	5.4
90.36009	1.0
93.03479	1.5
95.01366	2.6
96.96972	2.0
98.19945	1.5
99.00885	5.0
101.02444	38.4
111.00859	2.6
113.02451	11.3
113.03609	1.4
114.05611	2.9
130.08752	2.0
131.02551	2.3
131.03508	41.4
131.04466	2.1
143.03464	2.4
146.06078	1.2
152.99614	5.9
159.03003	2.8
160.95676	2.3
161.04602	8.8
166.08745	1.3
191.05563	1.9
209.11803	10.7
235.27885	1.2
263.15002	100.0
264.15353	5.3
357.08640	2.4
392.93539	1.1
395.19147	15.0
396.19345	2.2
411.21896	1.5
425.18149	1.3
455.16391	7.7
455.24667	2.8
456.17041	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	455.0975
Annotation	Flavine mononucleotide (FMN)
Peak:m/z	Relative Intensity
57.17588	0.2
59.01370	1.1
61.98827	1.4
67.85009	0.3
70.66200	0.7
71.01373	1.0
73.02913	0.3
76.57870	0.3
78.38916	0.3
78.95905	86.7
82.64427	0.3
85.02961	0.6
86.34645	0.3
88.12654	0.3
89.02451	0.7
96.96961	100.0
101.02414	0.4
108.02164	0.6
113.02466	0.7
114.05592	0.4
115.61669	0.2
120.47657	0.3
121.42787	0.3
131.07181	0.3
134.03754	0.5
138.98016	3.4
144.08183	0.5
149.06113	0.6
152.01131	1.3
156.79572	0.3
167.03511	2.0
173.04483	0.4
174.15721	0.3
180.99092	0.4
184.08774	0.7
191.05682	0.7
192.01295	0.3
198.06659	1.7
199.00122	11.5
210.28139	0.3
212.08292	5.0
213.01694	11.0
213.08443	0.5
214.02042	0.3
241.07339	4.2
242.07652	0.3
242.18759	0.4
243.08969	0.3
248.03754	1.0
255.08881	6.0
256.09164	0.4
271.01862	0.3
292.03033	0.4
349.47836	0.3
357.12036	0.4
357.40494	0.3
455.09735	21.7
455.16992	0.7
456.09946	2.7
474.18243	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.5
61.98832	7.4
71.01395	1.1
71.52297	0.5
73.02945	0.6
74.02477	1.1
74.24484	0.3
78.95907	2.7
80.02727	0.4
82.02958	0.3
85.02963	1.1
89.02429	0.6
94.70385	0.4
96.00894	0.4
101.02457	0.8
108.02175	28.9
109.02519	1.0
109.04121	0.5
111.00887	2.7
113.02458	0.5
114.05620	1.0
123.04530	12.3
124.04910	0.5
125.02455	0.7
127.05135	2.7
130.08759	1.2
133.03001	0.7
135.04576	0.5
143.03525	0.6
152.01152	59.6
152.99593	0.9
153.01453	2.1
163.04057	0.4
163.11230	0.4
166.02715	0.8
166.08820	0.5
167.03494	100.0
168.03819	4.4
175.04039	0.5
177.01860	0.5
179.03520	0.4
181.05092	0.7
191.05566	0.8
192.04237	0.6
202.02788	0.4
206.10071	0.4
209.04567	0.6
209.11815	3.6
222.12466	0.6
223.26096	0.4
263.14841	0.5
293.72903	0.5
294.11279	0.4
357.08716	0.5
411.22549	2.9
424.17313	0.8
455.17047	1.2
455.25204	1.4
456.19986	1.4
456.25702	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.3
61.98830	100.0
62.67842	0.5
70.28301	0.8
70.28690	1.3
71.01403	0.6
95.66932	0.4
101.02434	0.5
102.44990	0.4
105.48866	0.4
122.55782	0.5
133.25624	0.5
139.08504	0.5
144.64467	0.4
145.99049	0.4
150.60335	0.4
217.42473	0.4
291.19400	0.6
293.27267	0.5
397.12000	0.4
411.51031	0.5
455.26407	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	454.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	5.4
61.98829	100.0
67.43886	0.4
71.00895	0.6
71.01375	2.5
85.02968	0.6
86.83940	0.5
89.02445	3.7
101.02460	2.1
113.02439	1.2
119.00578	0.5
119.03534	1.4
127.87017	0.4
133.85583	0.5
171.85602	0.4
185.31718	0.5
218.50204	0.4
275.20135	1.1
323.70392	0.6
455.26495	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	453.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14520	30.0
50.72177	32.1
51.18667	27.9
56.53592	26.5
59.01364	47.7
61.31422	26.5
69.93115	70.9
69.93516	100.0
113.79491	32.2
113.90308	34.3
119.86096	31.0
167.44826	30.3
255.23228	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49514	2.0
59.01382	10.3
59.94434	1.8
61.98831	4.8
69.82655	2.0
71.01387	27.8
71.06519	4.2
71.06850	1.9
72.77054	1.9
73.02969	5.6
81.07097	4.6
81.79052	2.0
82.48722	2.2
85.02941	9.7
89.02448	4.6
99.00887	3.4
101.02441	9.7
113.02435	10.8
125.06093	7.6
135.04468	3.1
137.06032	2.5
143.04977	4.1
157.06595	3.2
161.04535	9.0
167.79083	2.3
237.12822	10.8
293.15436	3.9
295.17010	39.1
296.17325	5.7
309.18484	5.3
321.17157	5.4
343.20599	3.8
357.22141	5.6
373.25235	5.7
391.26379	8.7
417.24414	4.3
419.22269	3.3
435.25378	100.0
436.25580	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	454.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.7
61.25655	0.7
61.98832	100.0
66.13317	0.6
71.01376	3.2
72.00894	0.7
78.95884	1.3
81.90009	0.6
83.01421	0.7
85.02953	1.0
89.02442	1.1
93.03509	0.9
96.96013	0.6
96.96960	1.1
97.02943	1.0
98.02496	1.1
101.02472	1.8
108.02169	0.9
113.02432	0.8
120.74414	0.6
137.03581	1.3
152.99580	0.7
160.90216	0.6
163.11436	0.6
181.62424	0.6
181.93126	0.6
191.05644	1.0
193.78572	0.7
207.10344	0.8
208.10652	1.2
209.11823	1.0
211.13414	1.5
226.11755	2.2
229.14479	1.1
263.15054	1.3
293.12372	0.8
339.17065	0.7
391.19739	11.7
395.19983	0.8
454.16321	2.2
454.29373	0.7
455.17029	1.5
455.23581	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21185	41.7
59.01379	87.8
62.42553	45.2
66.04439	43.4
67.06362	43.7
70.39986	86.0
70.40386	100.0
142.50456	40.6
255.23190	55.2
353.99600	43.3
369.26343	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2492
Annotation	Epoxycladine B
Peak:m/z	Relative Intensity
55.01877	2.2
57.03445	1.6
58.00593	3.3
59.01379	96.8
60.01721	1.0
61.64514	0.5
71.01380	59.8
72.01728	0.7
72.99314	3.3
73.02948	3.8
83.01392	3.3
85.02948	12.2
87.00884	3.6
89.02444	82.8
90.02797	1.2
90.64573	0.5
95.01392	4.1
95.61429	0.5
99.00892	1.3
101.02442	38.9
102.02818	0.7
113.02444	26.1
113.78423	0.5
114.02818	1.0
115.08148	0.6
119.03499	37.3
120.03827	1.0
121.10242	0.5
125.02492	0.8
125.06099	1.8
131.03514	4.5
136.05321	2.0
139.07596	0.6
143.03485	5.7
149.04517	3.3
149.06049	2.9
151.07642	8.4
152.08427	22.2
153.08775	0.8
161.04538	6.0
165.09233	2.9
165.54831	0.6
166.06380	1.4
177.09303	0.9
178.40858	0.6
179.05606	10.8
179.07185	0.7
188.08405	0.9
189.09198	0.8
192.45634	0.5
196.07428	0.9
203.10759	11.5
204.11334	1.1
215.10783	2.2
217.12325	7.3
218.13054	5.5
219.13223	0.6
224.21391	0.5
271.32562	0.5
273.18582	6.8
274.18848	0.8
291.19638	6.9
292.19934	0.6
301.16635	1.5
435.23862	2.7
438.22574	2.3
453.24921	100.0
454.25269	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	453.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	6.5
57.06568	3.3
57.14782	3.0
58.50731	2.9
59.01382	65.9
61.04208	3.1
61.98828	100.0
62.65091	2.8
62.68108	3.2
63.99255	4.6
64.49094	3.0
69.43365	14.8
69.43790	8.9
71.01387	39.2
73.02959	20.9
83.01377	6.1
84.54404	2.8
85.02947	41.2
87.00896	4.3
89.02458	8.9
98.19840	5.8
99.00899	8.0
101.02439	30.9
111.00855	4.3
113.02439	11.4
132.00320	2.9
135.04543	9.1
155.10797	11.4
157.08731	7.7
159.03011	3.7
161.04529	11.7
161.47830	3.3
171.10277	9.0
175.04076	5.6
178.48192	3.3
179.03493	9.4
191.05559	4.6
217.10789	8.9
261.13516	20.2
349.18579	11.7
357.19556	5.8
379.19839	3.1
390.18954	3.4
393.17545	47.4
434.45761	3.4
446.45706	3.2
453.24167	69.9
454.24200	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	452.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.0
60.01697	0.6
61.01795	0.4
61.98830	100.0
64.01976	0.4
70.56278	0.5
71.01380	1.4
71.54456	0.6
71.55103	0.5
73.02962	0.4
77.71320	0.4
78.95883	0.5
88.98812	1.3
89.02444	0.9
93.03468	0.5
101.02442	0.8
113.02477	0.6
119.05029	1.0
130.08751	0.4
135.04485	0.6
155.10834	0.4
163.04021	0.7
191.05623	0.6
287.51703	0.4
347.15616	0.5
452.20065	0.5
453.19882	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	452.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85315	0.3
69.18887	2.6
78.95902	6.6
100.77470	0.2
136.84550	0.2
140.01170	2.0
143.70923	0.2
152.99551	0.6
171.00542	0.3
177.68755	0.3
196.03816	0.9
214.04872	2.7
255.23273	100.0
256.23618	8.8
361.70999	0.3
393.19608	0.5
452.27762	7.7
453.28424	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
63.77513	0.2
70.84374	0.3
78.95902	20.3
104.97462	0.3
105.23532	0.2
122.00130	0.9
124.60516	0.2
140.01184	4.9
152.99576	2.0
166.02740	0.2
181.97725	0.2
196.03790	9.8
197.04141	0.2
198.30966	0.2
214.04858	2.2
237.22191	0.3
255.23288	100.0
256.23624	8.7
452.27814	22.2
452.34351	0.5
453.28162	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	452.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90704	0.4
59.01374	4.7
60.01706	0.9
61.01798	0.7
61.98828	100.0
62.28215	0.4
69.62006	1.0
69.62415	2.0
71.01372	1.0
75.85818	0.4
77.96935	0.5
88.98805	1.9
89.02461	0.6
91.46986	0.5
119.04998	0.5
138.29866	0.6
161.04581	0.4
163.04001	0.6
212.98314	0.5
217.10583	0.5
291.28754	0.5
331.98831	0.6
453.20367	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47981	0.1
57.03429	0.1
58.02977	0.3
59.01388	0.4
61.98837	0.1
63.37465	0.1
63.37809	0.1
67.03745	0.1
70.02955	0.1
71.01361	0.1
72.04540	0.1
75.00870	0.1
80.05054	0.5
81.03458	9.5
82.03776	0.2
82.06635	0.1
83.05025	25.8
84.05349	0.6
85.02910	0.1
98.20590	0.2
100.07686	0.2
107.06163	0.7
108.04563	0.9
113.12172	0.1
125.07214	3.2
126.05611	0.5
126.07573	0.1
143.08261	1.5
146.61165	0.1
155.10779	0.1
156.11255	0.1
157.13470	0.1
166.12383	0.1
173.04439	0.1
182.15511	0.1
183.14928	0.1
191.05560	0.1
207.15025	3.7
208.13428	0.2
208.15324	0.2
222.16148	0.1
223.78467	0.1
224.17677	4.9
225.16077	13.5
226.16425	1.0
229.13817	0.1
242.18752	1.8
242.21106	0.1
243.18930	0.1
250.15569	0.4
266.18661	0.2
268.16687	0.3
287.15115	0.1
290.22455	0.4
306.22034	0.1
307.23816	0.3
309.21591	0.4
324.22733	0.1
324.26514	1.7
325.26816	0.2
333.22922	4.7
334.23471	0.5
339.27646	0.3
341.29306	0.1
350.24884	0.1
351.24002	1.1
352.24240	0.1
367.27100	1.5
368.27505	0.1
377.28671	0.1
383.30060	0.2
385.28287	0.3
406.30945	0.2
418.95554	0.1
433.31808	5.9
434.32251	0.7
451.32867	100.0
452.33188	15.2
455.58496	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	451.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.0
57.33120	1.0
58.00593	1.0
59.01376	100.0
60.01724	1.2
61.98829	51.4
69.73409	6.2
71.01382	22.7
72.99285	1.4
73.02927	3.4
73.87915	0.9
78.95894	1.6
83.01402	2.8
85.02939	8.9
87.00882	2.4
88.98777	1.6
89.02434	14.1
93.03439	4.0
95.01370	1.8
96.00903	4.4
96.95975	1.3
97.27032	0.9
99.00849	3.3
101.02433	15.7
102.92797	1.0
109.01648	1.3
113.02437	7.8
118.06596	1.1
119.03474	4.8
119.04970	1.7
125.02363	1.3
134.03781	1.3
135.06178	1.0
143.03490	1.8
147.04526	0.9
159.02945	2.1
161.04562	11.7
164.07159	1.3
173.04518	3.5
175.05069	1.2
179.05595	2.7
189.07010	2.5
191.05617	11.2
191.28107	1.1
229.18074	1.9
286.08630	2.5
375.20251	1.1
391.23325	42.4
392.23599	4.3
451.16074	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	451.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	0.4
78.95902	15.7
86.80173	0.4
93.76633	0.4
98.20656	1.1
104.97439	0.8
110.98529	9.7
137.00095	0.4
152.99565	0.4
167.01147	11.6
170.26518	0.4
185.02206	3.1
193.60707	0.4
229.12064	0.6
269.25128	0.5
283.26413	100.0
284.26755	10.1
284.29721	0.8
451.28311	19.2
452.28506	2.8
475.48523	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.8
59.01376	9.1
61.13224	0.7
61.98825	0.8
69.36564	4.5
71.01382	4.5
71.05006	1.4
73.02942	1.4
73.15130	0.8
80.02376	0.7
83.05022	1.1
85.02959	1.0
87.00842	0.7
88.98783	1.0
89.02439	3.6
95.05031	3.1
97.02942	1.5
97.06575	11.6
99.00877	49.1
99.21347	0.8
100.01227	1.0
101.02437	4.9
110.03705	1.3
113.02434	1.5
115.47426	0.8
117.07094	2.7
123.04489	2.8
127.11239	1.1
135.08162	7.5
142.02693	1.0
153.09210	32.1
154.09515	1.7
161.04555	1.2
171.10234	10.2
179.07100	5.2
197.08171	26.4
198.08554	1.6
215.09213	33.1
216.09563	3.0
246.41505	0.7
253.09369	3.4
273.49344	0.9
289.12915	1.4
347.71478	0.8
451.18170	100.0
452.18619	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	451.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	26.3
61.25248	3.2
69.43545	3.0
70.80514	6.1
71.01390	16.0
71.01748	2.6
71.50403	3.0
71.73045	2.6
72.99295	2.6
78.95881	2.8
85.65519	3.1
89.02458	18.3
97.02962	3.3
97.88562	2.9
101.02419	12.1
108.90207	7.0
113.02480	4.6
119.03467	6.0
125.02450	6.1
168.01569	3.3
170.83833	3.9
179.05615	8.2
247.00082	2.7
411.05246	3.4
415.14536	100.0
416.14911	7.6
451.12198	85.4
452.12265	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	451.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24559	0.8
58.02954	3.4
58.44037	0.8
59.01381	22.8
61.98831	28.7
62.32394	0.9
63.99212	0.9
70.02959	3.1
70.46529	1.9
70.46880	2.0
71.01369	4.0
72.00901	5.4
73.02938	2.3
73.04066	1.1
74.07952	0.9
78.95908	2.1
83.01370	1.3
85.02969	2.2
85.34048	0.9
87.00877	1.6
88.84097	0.7
89.02444	1.5
91.05521	1.4
91.92066	0.9
93.03462	1.6
94.03754	0.9
95.02512	6.0
96.00916	100.0
96.95985	0.9
97.01240	1.8
97.04074	1.7
98.02477	28.0
98.19939	0.9
99.00890	1.6
99.05032	1.5
99.05640	21.5
101.02431	3.9
103.05531	1.3
109.01701	14.5
111.04484	0.8
113.02429	2.6
113.03568	9.1
114.05599	2.0
115.05138	1.4
118.06631	22.6
119.03552	1.2
119.06961	1.1
123.05710	1.1
135.04488	1.1
136.04028	1.4
141.03090	1.1
141.06705	16.2
144.04900	1.4
147.03366	1.3
147.04498	20.5
147.05948	8.3
148.52046	0.8
149.45195	0.8
161.04504	2.1
164.07164	44.1
165.07471	3.1
173.04486	1.1
184.04366	12.7
185.04622	1.2
189.07021	64.6
190.07249	2.1
199.08736	3.3
200.07193	1.7
217.09789	6.0
223.40273	0.9
227.04988	1.7
230.90286	0.9
244.06128	14.4
261.08817	13.7
262.09088	1.1
286.08661	46.5
287.08896	2.3
391.23450	7.1
434.13934	3.0
451.16537	31.8
451.25769	1.9
452.16901	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	450.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	9.1
60.01707	1.4
61.98830	100.0
69.24836	0.9
69.25114	8.9
71.01371	2.4
75.00867	1.4
89.90027	0.8
98.19842	1.7
101.02406	1.3
125.02486	1.1
128.03603	1.2
169.99852	1.0
235.21312	1.0
387.16635	4.3
450.11588	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	450.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65834	0.6
57.62465	0.6
58.95898	0.6
59.01376	3.1
61.98830	100.0
69.53111	2.0
69.53539	2.5
72.84727	0.7
75.64816	0.5
78.05110	0.5
100.59663	0.7
153.79591	0.6
160.33556	0.7
191.05603	1.7
337.35580	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.1
61.98824	1.6
72.07051	0.7
78.95909	20.8
83.21568	0.7
113.02374	0.6
122.00098	0.8
140.01170	5.4
152.99599	3.0
168.23329	0.6
171.00697	1.0
196.03796	9.8
214.04929	2.6
253.21719	100.0
254.22067	8.9
391.17966	3.1
450.26218	23.9
451.26541	2.9
464.53192	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70842	0.7
59.01379	11.8
60.01709	1.7
61.01812	0.8
61.98830	100.0
69.52625	1.9
69.53035	3.8
71.01379	1.4
75.86328	0.7
81.27733	0.7
84.14902	0.7
85.02957	0.9
88.24442	0.9
89.02454	1.4
93.82397	0.7
98.20632	1.5
113.02470	1.0
119.32658	0.8
142.52425	0.7
270.48807	0.8
282.54672	0.8
390.22180	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	450.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	11.0
61.98828	100.0
64.04131	1.0
67.01870	1.2
71.01385	5.8
71.29569	2.5
71.52184	1.1
72.99307	1.2
73.02939	1.4
75.00880	2.7
85.02951	4.3
87.00878	2.4
89.02443	2.3
93.03455	3.2
98.08256	1.2
99.00896	1.5
101.02450	1.5
113.02418	2.8
114.08070	1.1
155.10770	9.5
156.11096	7.8
173.04539	5.7
174.04921	1.8
191.05592	10.4
192.05954	4.1
229.14423	8.5
273.13300	1.4
274.13934	2.0
327.66907	1.1
355.88531	1.1
379.94357	1.2
450.17023	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	450.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05240	0.9
59.01379	18.5
60.01701	1.3
61.98828	100.0
66.96153	1.0
71.01385	4.9
71.29160	2.1
85.02919	1.7
89.02441	5.1
95.75892	0.9
101.02439	3.5
113.02461	2.1
119.03484	1.3
128.98645	1.3
207.10265	3.0
226.88083	1.1
270.04611	1.2
387.16586	39.4
388.16855	4.5
451.17551	1.5
463.49493	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	450.198
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68678	1.0
59.01389	5.9
61.98833	100.0
63.85304	0.9
69.30399	2.3
69.30807	6.0
71.01377	3.7
75.00871	3.9
85.02963	4.0
87.00896	1.3
89.02456	2.0
93.03467	2.3
98.20599	1.9
99.00868	2.3
109.74046	1.3
113.02482	1.9
121.48256	1.0
122.74036	0.9
137.09685	1.2
139.11340	1.3
155.10770	9.4
156.11128	9.0
173.04552	1.7
191.05643	6.0
192.05956	2.8
199.09782	1.4
200.10162	1.4
228.03706	1.1
249.06126	2.3
250.06421	1.6
256.03500	1.0
258.03656	1.1
274.13696	2.0
288.15402	1.1
326.20129	1.2
450.10214	3.6
450.16867	26.1
451.17282	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	449.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80376	0.4
55.01876	2.2
57.03445	1.6
58.00594	0.8
59.01382	19.1
61.98842	0.6
69.33073	0.8
69.33463	3.4
71.01382	15.4
72.99306	1.8
73.02950	6.1
74.35357	0.4
75.00815	0.5
83.01389	5.0
83.93327	0.3
85.02951	8.6
86.00089	1.2
87.00851	1.3
89.02453	2.3
89.02940	0.5
93.03448	1.1
95.01364	1.6
99.00878	2.6
99.08152	1.7
101.02444	12.6
105.99184	0.4
111.00874	1.6
113.02448	5.2
119.03524	0.5
125.02416	0.4
135.04515	0.7
141.12787	0.5
153.12791	0.5
159.03043	0.5
161.04539	1.6
173.04524	0.8
174.53227	0.4
175.36490	0.5
190.40617	0.4
205.22987	0.5
206.24367	0.4
223.20517	0.4
239.20049	0.7
241.21611	0.7
269.21295	2.5
275.09091	0.4
287.22272	3.6
311.87637	0.5
382.89346	0.4
413.25800	0.6
431.26450	11.1
432.26907	1.2
433.77744	0.5
449.27548	100.0
450.27914	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	449.2754
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
55.01886	1.7
56.34909	0.4
57.03457	1.0
58.00590	0.5
59.01382	71.0
60.01713	1.0
69.03467	0.5
71.01385	12.8
71.01981	0.6
71.02312	0.7
72.01728	0.6
72.99303	0.7
73.02950	5.6
83.01400	3.6
83.30908	0.4
85.02946	7.7
86.00084	1.1
86.19762	0.4
87.00881	0.6
89.02460	1.6
95.01388	1.1
99.00874	2.0
101.02445	14.3
113.02454	5.0
125.02446	0.5
131.55736	0.4
159.02951	0.6
161.04575	1.9
173.55420	0.4
177.97614	0.5
229.19257	0.5
257.97537	0.4
389.25308	3.8
390.26175	0.5
431.26535	5.5
432.26953	1.0
449.27548	100.0
450.27945	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	449.2752
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
55.01859	1.9
57.03434	2.0
58.00585	0.7
59.01375	13.8
60.99303	2.2
61.98821	5.3
67.01887	5.6
69.03445	1.9
71.01382	12.5
72.99283	0.6
73.02930	3.2
81.03461	1.5
83.01393	2.6
83.05058	0.7
85.02946	5.5
87.00880	11.1
89.02415	2.1
93.03455	40.1
94.03765	1.0
95.01373	1.1
99.00863	1.9
99.08127	0.8
101.02438	7.0
111.00865	1.3
111.04516	5.8
113.02440	3.1
115.04002	1.1
124.01578	0.8
125.02411	0.6
127.21072	0.5
129.01900	0.9
133.02890	0.6
134.03717	6.0
135.04483	2.3
137.02466	0.9
155.03493	2.4
161.02419	1.1
162.03217	6.1
173.04535	45.6
174.04884	1.7
179.03462	0.7
191.05560	4.2
225.85646	0.6
251.46124	0.7
269.21085	1.5
273.69434	0.6
275.09293	4.5
287.22263	27.2
288.22571	3.0
352.07993	1.1
431.26627	4.3
442.38016	0.7
449.14526	14.6
449.27527	100.0
450.14728	1.8
450.21457	0.7
450.27847	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	449.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.9
57.03434	2.0
58.00585	0.7
59.01375	13.8
60.99303	2.2
61.98821	5.3
67.01887	5.6
69.03445	1.9
71.01382	12.5
72.99283	0.6
73.02930	3.2
81.03461	1.5
83.01393	2.6
83.05058	0.7
85.02946	5.5
87.00880	11.1
89.02415	2.1
93.03455	40.1
94.03765	1.0
95.01373	1.1
99.00863	1.9
99.08127	0.8
101.02438	7.0
111.00865	1.3
111.04516	5.8
113.02440	3.1
115.04002	1.1
124.01578	0.8
125.02411	0.6
127.21072	0.5
129.01900	0.9
133.02890	0.6
134.03717	6.0
135.04483	2.3
137.02466	0.9
155.03493	2.4
161.02419	1.1
162.03217	6.1
173.04535	45.6
174.04884	1.7
179.03462	0.7
191.05560	4.2
225.85646	0.6
251.46124	0.7
269.21085	1.5
273.69434	0.6
275.09293	4.5
287.22263	27.2
288.22571	3.0
352.07993	1.1
431.26627	4.3
442.38016	0.7
449.14526	14.6
449.27527	100.0
450.14728	1.8
450.21457	0.7
450.27847	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	449.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99587	0.3
64.46520	0.3
65.60654	0.3
70.46145	0.4
71.30259	0.7
71.30612	0.4
74.17121	0.3
76.02133	0.3
78.95482	0.5
78.95908	6.4
106.63759	0.3
106.86037	0.3
108.20808	0.4
110.98541	4.1
120.48037	0.3
143.83032	0.3
145.42706	0.3
167.01105	3.5
185.02205	3.4
281.24866	100.0
282.25214	10.2
449.26752	7.5
450.27017	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
74.52525	0.3
78.95906	4.7
98.19876	0.8
110.51038	0.3
110.98533	3.1
114.97198	0.3
117.82670	0.3
123.34562	0.3
123.79977	0.4
152.99599	0.4
155.03259	0.3
167.01169	2.5
176.76282	0.3
178.26459	0.3
180.01828	0.3
185.02203	3.4
193.21980	0.3
229.44020	0.4
281.24844	100.0
282.25211	11.4
449.26721	6.0
449.32071	0.2
450.27097	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37131	0.8
53.09832	0.9
57.03447	1.6
59.01381	100.0
60.01716	1.3
60.07654	0.8
60.99297	1.5
61.98831	25.0
65.00315	0.9
67.01894	5.9
69.03452	2.0
71.01376	14.9
71.03176	2.0
72.99308	0.8
73.02940	2.8
81.03454	1.4
83.01391	2.3
83.05038	1.0
85.02969	3.9
86.64280	0.8
87.00871	6.6
89.02439	11.9
93.03458	32.3
94.03785	1.7
95.01387	1.6
96.95997	1.6
97.02958	0.8
99.00885	2.5
101.02453	11.1
105.03498	0.7
107.01394	2.4
111.04504	5.2
113.02464	6.3
115.08811	0.8
119.03497	6.9
129.01875	1.1
133.02948	1.9
134.03764	4.1
135.04532	11.3
137.02425	1.5
138.69403	0.9
143.03514	1.9
147.57104	0.8
151.00371	15.6
155.03520	1.6
161.04543	6.0
169.12277	1.3
173.04547	42.0
174.04855	1.4
179.05600	4.2
187.07674	1.0
191.05638	6.0
199.13374	0.9
203.08217	1.7
208.31303	0.9
227.16385	1.2
231.10168	4.2
257.08200	1.5
267.41159	0.9
275.09189	7.2
276.09460	1.1
285.03952	1.7
286.04300	1.6
287.05557	12.6
287.14261	1.4
288.05814	1.3
371.20651	1.6
389.21799	13.7
390.22113	1.6
449.09256	1.5
449.14490	11.2
449.21152	4.1
449.27750	2.0
450.15207	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	449.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27868	0.8
57.03437	1.5
58.00581	1.1
59.01377	100.0
60.01705	1.4
60.99287	1.3
61.98828	24.1
61.99309	1.0
63.72645	0.7
67.01886	3.1
69.32225	4.5
69.32635	2.0
71.01012	1.2
71.01379	21.6
72.99289	1.4
73.02924	1.3
78.91882	1.9
83.01394	1.3
85.02945	6.8
85.03368	1.2
87.00871	4.8
89.02445	28.2
93.03458	21.1
95.01376	1.6
101.02434	12.6
103.45343	0.7
111.04523	4.4
113.02449	9.3
113.79826	0.9
115.00335	0.9
117.03477	0.7
119.03496	10.3
119.62125	0.8
131.03397	1.3
133.02939	1.6
134.03743	0.9
135.04492	2.5
137.02374	1.9
143.03479	3.2
149.04520	1.1
151.00372	1.7
153.09192	2.2
155.03508	2.0
155.10812	0.9
160.87904	0.8
161.04515	5.7
173.04541	29.0
173.06024	1.7
174.04735	1.3
179.05605	11.6
187.07718	1.8
191.05614	13.9
192.05893	2.9
193.06015	1.8
203.10808	1.4
209.15395	2.8
213.09126	2.0
229.08360	0.8
231.10236	4.5
257.08121	1.8
275.09296	5.8
286.04114	1.3
287.15057	0.9
287.22025	0.8
389.21777	17.1
390.22028	2.4
449.09238	1.4
449.14502	6.0
449.19791	1.6
449.27737	1.5
460.11331	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.6
59.01379	100.0
60.01716	1.1
61.98825	5.3
69.52291	3.0
70.49278	0.4
71.01382	7.7
73.02946	1.8
74.02485	1.2
75.07626	0.4
83.01417	0.9
85.02946	3.7
87.00871	0.7
89.02446	5.9
92.85674	0.5
93.03474	1.4
95.01414	0.8
96.00906	0.9
98.02505	0.6
98.19830	0.9
99.00878	1.1
101.02451	6.3
102.02733	0.5
109.06570	0.4
111.00877	0.5
113.02454	3.7
119.03496	2.5
119.65697	0.4
143.03482	1.0
161.04565	6.5
165.12869	0.5
173.04584	1.8
179.05608	0.8
187.07664	0.6
191.05623	5.4
221.13875	0.5
227.12868	0.7
227.16487	1.1
275.09491	0.5
287.15121	1.9
300.37833	0.4
389.21814	17.8
390.22339	1.6
414.17133	1.8
449.24469	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
57.03447	1.6
59.01378	100.0
60.01705	0.8
60.99302	1.4
61.98830	15.1
66.12619	0.6
67.01887	5.4
69.03456	1.9
71.01378	20.4
71.54044	0.7
72.00883	0.6
72.99301	1.5
73.02946	2.1
81.03460	0.9
83.01401	2.2
83.05008	0.7
85.02958	6.9
87.00880	7.4
88.04060	1.3
89.02442	14.5
93.03458	33.1
94.03798	0.9
95.01386	1.4
99.00912	2.3
101.02437	12.0
111.00905	0.8
111.04507	4.7
113.02442	9.3
115.00381	1.0
119.03497	6.1
125.02440	0.7
127.04003	0.8
129.01950	0.9
129.10349	0.6
131.03526	0.8
132.03087	1.1
133.02991	1.3
134.03751	2.9
135.04568	2.1
137.02466	2.1
143.03511	1.9
149.04616	0.8
155.03520	2.4
155.10846	0.7
159.02995	0.9
161.04532	6.7
173.04541	39.8
174.04956	1.7
174.06770	0.7
179.05617	3.4
187.07661	1.1
191.05623	10.6
231.10228	4.5
257.08322	2.3
275.09161	6.3
276.09659	1.1
287.14151	1.2
333.16379	1.2
334.14966	1.0
389.21832	9.7
390.22348	1.4
449.14236	9.8
449.28287	4.5
450.15067	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	449.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35768	1.7
59.01383	13.4
61.98832	38.4
70.65690	1.8
71.01385	46.0
71.02514	6.4
73.04063	31.3
73.04432	2.6
75.00869	2.6
80.20901	1.8
85.02971	5.9
85.42747	1.6
87.00915	2.3
88.04043	41.8
93.03458	12.0
98.02518	2.4
98.19910	3.0
99.00881	2.4
99.02013	2.9
101.02465	2.3
110.03605	5.0
111.04552	3.2
113.02530	3.6
114.01991	2.3
115.00374	71.5
116.00797	1.8
116.05047	11.4
129.10352	24.8
130.08780	3.7
132.03035	42.7
140.87206	1.7
141.10396	4.2
142.62083	1.7
143.67854	1.8
146.06084	11.3
147.04590	3.0
151.08842	4.9
151.21861	1.6
155.10805	8.7
156.08217	2.5
163.08821	2.0
164.07156	13.7
167.05742	9.4
167.10710	5.4
168.11455	5.7
169.09802	9.6
173.04526	13.7
186.12473	68.5
187.12839	2.9
191.05588	17.3
191.87387	1.8
198.08109	2.1
200.07301	2.9
218.08244	2.0
224.12799	11.3
235.10902	3.0
241.13515	6.7
242.11900	9.2
249.06256	1.9
257.03485	2.0
258.16211	7.4
275.09329	2.2
276.17200	2.5
285.03650	1.8
287.09219	1.8
315.18265	27.5
325.20886	1.8
326.78836	1.9
333.19339	66.6
334.17612	73.9
335.17993	8.4
370.81284	2.1
405.21500	20.2
414.16760	2.2
431.19534	2.1
449.10123	5.3
449.20636	100.0
450.20966	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01914	0.6
57.03449	2.2
58.00583	0.8
59.01379	23.8
60.99289	1.5
61.98821	4.6
67.01883	5.8
69.03465	2.3
69.71530	4.1
70.38728	0.7
71.01382	13.5
72.99324	0.9
73.02959	2.0
78.95921	0.7
81.03461	1.0
83.01378	1.1
83.05022	1.6
85.02938	5.2
87.00877	8.0
89.02439	8.9
92.43147	0.8
93.03456	33.5
94.03797	1.4
95.01385	1.2
96.95991	3.5
97.06590	2.2
99.00875	1.3
101.02441	9.3
109.02973	1.2
111.00910	2.1
111.04520	5.3
113.02464	4.6
119.03504	2.5
125.02471	0.7
129.01895	0.8
133.02974	2.1
134.03748	4.0
135.04556	1.4
137.02446	2.4
143.03479	1.0
151.11279	17.0
155.03506	2.4
161.04591	3.5
169.12337	100.0
170.12653	5.4
173.04536	47.4
174.04912	1.9
179.05705	1.2
191.05600	16.3
195.10268	2.1
199.13512	0.7
213.09239	1.2
213.11314	24.8
214.11732	1.7
231.10300	6.0
232.10521	0.8
253.09300	9.7
257.08234	2.2
275.09277	7.1
331.00974	0.8
389.21719	2.3
431.19376	1.2
435.53986	0.8
438.62509	0.7
449.14484	13.1
449.20197	72.7
450.14844	2.2
450.20450	9.0
471.48083	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30793	0.5
57.03440	1.2
59.01381	59.7
60.01716	0.8
61.98812	0.6
66.95295	0.5
69.17109	4.8
71.01394	4.1
73.02946	1.6
75.00871	0.5
78.16674	0.5
83.01396	1.4
85.02946	2.1
87.00883	1.3
89.02419	1.3
93.03455	2.0
95.01385	0.7
95.30629	0.6
97.06585	0.5
97.82568	0.5
98.19916	1.0
99.04509	1.8
101.02435	1.8
111.04543	0.7
113.02422	2.0
152.47676	0.5
155.10771	5.0
155.51425	0.6
165.12843	1.4
167.10809	0.8
173.04604	3.3
191.05583	5.9
199.09807	0.7
200.72618	0.5
207.13930	3.3
209.11826	5.6
210.12024	0.5
222.02101	0.6
225.14896	5.9
227.12885	32.3
228.13199	3.2
248.30408	0.6
251.12909	1.5
257.08304	0.6
269.13953	8.7
275.09424	0.7
287.14993	100.0
288.15353	8.5
293.13947	1.1
311.14841	0.9
329.16193	3.3
389.18079	1.2
449.16342	4.5
449.20792	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	449.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47491	1.8
59.01115	3.4
59.01381	48.4
67.01870	2.6
70.49402	5.9
70.49759	2.3
71.01379	21.8
72.99301	7.1
73.02934	5.6
75.00877	11.0
83.01363	2.2
85.02948	20.9
87.00877	4.8
88.67639	2.3
89.02449	3.4
93.03466	10.5
93.03980	2.4
95.01393	3.5
98.20568	2.0
99.00884	8.8
99.51293	2.1
101.02420	4.0
107.28052	1.9
113.02480	17.8
137.09689	6.2
155.10782	77.0
156.11081	5.7
157.01390	2.9
173.04512	15.0
175.02362	3.1
181.08595	2.8
187.07567	3.1
191.05615	32.8
199.09760	15.5
207.13908	2.8
225.14891	3.3
227.12869	17.5
249.06158	5.4
257.08206	4.1
273.13458	14.6
275.09134	2.8
284.30862	2.3
287.15012	42.8
312.82205	2.2
329.16107	2.8
387.16696	3.7
449.16531	100.0
450.16861	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46500	1.1
56.48805	1.1
57.03444	6.6
57.03673	1.2
58.65790	1.1
59.01379	34.9
61.98584	1.2
61.98829	12.7
65.00294	1.7
69.03443	3.2
69.17525	3.2
69.17947	9.4
71.01385	14.9
71.05002	3.8
72.99306	2.0
73.02913	1.7
75.00874	2.3
81.03455	2.4
83.01377	1.7
85.02941	5.5
87.00868	3.9
89.02446	8.9
89.29117	1.2
93.03448	4.0
95.01398	1.4
95.05019	6.1
97.06584	11.4
99.00877	1.6
99.04517	1.4
101.02438	8.7
107.01388	1.9
109.02962	1.7
113.02451	7.8
119.03516	3.1
123.08161	13.2
124.01624	1.7
125.02442	17.4
125.09707	4.9
128.03514	3.8
133.06558	2.3
136.92769	1.1
137.02435	2.8
143.03543	1.8
143.04611	3.2
145.69847	1.1
149.02437	1.3
151.00357	7.8
151.07637	13.0
152.08073	1.3
153.01936	2.5
161.04593	1.9
169.08702	63.5
170.08994	3.2
172.05270	1.9
173.06039	4.2
175.04077	1.4
177.05623	1.7
178.99860	8.4
187.07471	2.0
191.05591	1.7
195.06525	1.8
199.09695	1.8
213.07707	6.8
215.07082	5.9
228.79391	1.1
243.06584	2.6
249.06172	1.6
253.09285	3.9
259.06107	40.5
260.06302	3.8
264.75220	1.2
267.07159	2.8
272.08920	2.6
283.06061	7.4
287.05591	22.4
288.05798	2.4
301.06958	3.7
313.06796	1.3
387.16568	5.1
405.17581	1.6
421.11359	5.3
449.16577	100.0
450.16711	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	449.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.1
58.00591	0.9
59.01381	17.2
61.98835	8.7
67.01877	1.4
68.99816	1.2
69.03453	1.0
71.01383	12.4
71.30819	0.8
71.31174	1.4
72.99320	4.2
73.02951	4.4
75.00876	11.1
78.10676	0.6
83.01387	0.7
84.66032	0.8
85.02950	13.3
87.00865	5.8
88.69502	0.6
89.02430	3.5
93.03445	2.7
95.01379	2.3
99.00875	8.1
101.02432	1.8
103.00365	1.2
111.00874	1.4
113.02457	10.7
115.00368	2.0
117.01901	1.7
125.02426	0.8
129.01939	0.8
135.08115	1.1
137.09726	7.8
151.00345	3.0
155.10780	72.8
156.11064	4.3
157.01451	1.9
161.04457	1.2
173.04605	4.5
175.02431	2.5
191.05632	6.5
192.05997	0.7
199.09732	15.6
213.09084	0.8
227.12888	2.2
231.05225	0.9
249.06171	15.7
250.06508	1.6
257.08145	1.1
273.13419	12.1
275.09143	1.2
285.03934	0.8
285.18613	0.7
286.04321	0.8
287.15033	6.2
287.17966	1.1
303.05353	0.9
387.16562	2.4
421.09515	0.8
431.15457	3.9
449.16602	100.0
450.16940	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	449.145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.2
59.01375	4.8
60.99306	4.3
61.98829	1.4
65.03969	0.7
65.28002	0.7
67.01565	1.1
67.01894	13.3
69.03462	3.6
71.01385	6.1
71.20564	1.5
81.03455	2.9
83.05029	1.8
83.53128	0.6
85.02962	1.7
87.00877	14.4
93.03459	83.2
94.03796	2.5
99.00880	1.7
99.04525	0.7
105.03451	1.8
105.30084	0.7
109.02930	1.9
111.04532	13.3
111.05307	0.8
113.02442	1.8
115.03979	0.9
127.03996	0.7
129.01935	1.5
133.02946	4.7
134.03741	9.2
135.04529	8.8
137.02483	3.8
143.03502	1.0
151.03975	1.3
155.03510	5.1
160.01651	1.4
162.03236	1.5
173.04544	100.0
174.04930	3.3
177.25946	0.6
179.03470	2.1
179.24524	0.7
191.05608	9.3
192.05991	0.6
220.88359	0.7
231.10309	8.1
257.08109	1.4
275.09256	11.1
276.09177	0.8
307.08292	1.0
308.09106	1.6
351.07040	1.2
352.08054	1.4
430.00281	0.6
449.14532	31.4
450.14877	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	448.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68183	0.4
54.47693	0.4
56.15067	0.4
59.01380	13.8
60.01709	1.5
61.98829	100.0
69.64755	1.6
69.65172	0.6
71.01373	0.8
89.02459	0.7
107.22272	0.4
118.27087	0.5
121.71111	0.3
125.02460	0.9
144.49599	0.4
185.03201	0.4
206.29903	0.4
226.98332	0.4
259.06015	0.8
269.04602	0.8
287.05640	0.7
449.11047	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.8
61.98832	5.6
70.46883	0.7
70.88718	0.7
71.53671	1.0
78.95905	32.5
86.80180	0.7
93.03472	1.2
96.96959	1.2
99.18771	0.8
106.33201	0.8
114.05624	1.4
114.76168	0.7
117.09597	0.7
135.04500	1.3
140.01193	5.2
150.98044	1.6
152.99583	20.5
161.02426	1.5
162.02789	1.4
171.00642	1.0
173.04590	1.9
191.05638	1.2
196.03798	11.5
214.04787	2.6
222.08659	0.8
251.20151	100.0
252.20503	9.6
285.10873	0.9
285.14124	0.7
312.07397	1.2
333.20438	1.4
353.42371	0.8
448.24704	20.3
449.24542	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00957	0.6
57.03442	3.6
59.01364	1.9
61.98832	4.3
63.02393	1.4
65.00324	3.0
70.34061	2.8
71.01376	1.6
79.19582	0.8
79.73295	0.8
81.03455	4.5
83.01379	5.5
93.03435	3.8
95.01378	1.0
107.01396	5.6
109.02957	1.9
123.59273	0.7
124.01659	1.7
125.02447	37.8
126.02834	1.1
128.03535	1.9
131.05028	1.1
133.02919	2.4
137.02443	1.3
139.00357	0.8
139.04004	2.4
139.77611	0.7
143.04633	2.5
145.06560	0.7
147.47243	0.7
149.02423	2.9
149.03493	0.8
151.00359	17.1
152.01132	3.0
153.01921	7.4
157.06517	0.9
158.03668	1.4
159.04495	1.0
165.01959	1.3
167.03487	0.9
169.01414	0.7
169.08655	1.3
172.05290	4.0
173.06070	8.9
175.00371	2.0
175.03995	1.9
177.05550	3.1
178.99867	15.6
181.01382	2.5
187.07632	1.1
199.03897	1.0
199.07649	1.3
200.76460	0.9
201.05522	2.7
215.07111	13.1
241.05084	1.3
243.06596	6.3
254.07764	1.9
255.06531	1.1
259.06094	100.0
260.06345	7.5
269.04449	1.3
272.08829	2.2
273.07803	1.2
283.06094	18.0
284.06396	1.9
287.05609	49.2
288.05939	5.0
301.07181	8.6
302.07425	0.9
311.05551	1.6
313.07230	2.6
341.05215	1.2
343.06546	0.9
387.16574	1.7
421.11411	16.5
422.11731	1.6
449.10904	4.8
449.20541	1.5
450.19138	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	448.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56930	0.4
55.83009	0.4
59.01381	18.8
61.98830	100.0
65.00330	0.9
67.01899	1.2
69.03483	0.7
69.55560	0.6
70.89256	0.8
71.01378	4.8
73.02970	0.6
83.01402	0.8
83.05038	0.6
85.02937	2.4
87.00903	2.2
89.02444	5.1
93.03459	8.1
101.02424	3.6
107.01399	1.3
111.04517	0.8
113.02477	1.9
119.03512	2.4
125.02387	0.6
133.02948	2.2
134.03357	0.8
135.04509	2.3
137.02470	0.9
143.03540	0.8
149.02544	0.6
149.04636	0.7
151.00357	5.6
152.00702	0.7
161.04628	1.3
161.06361	0.5
166.34006	0.5
173.04550	9.8
174.04842	0.5
175.04004	0.7
179.05626	1.3
191.05600	10.0
192.05988	3.1
200.04453	0.6
213.09335	1.1
228.04019	0.5
231.10257	2.9
239.89478	0.5
251.32327	0.5
256.03452	1.0
257.08322	1.1
275.09314	1.4
284.03241	0.7
285.03989	11.8
286.04398	26.7
286.24094	1.2
287.05524	2.8
301.03302	1.7
301.18408	0.6
302.03873	0.6
361.20538	1.3
389.21759	2.5
448.09689	3.5
448.24030	1.5
448.29257	1.7
449.14624	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	448.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39012	0.3
59.01377	9.3
60.01715	0.4
61.98831	100.0
62.41758	0.3
69.72236	1.8
71.01388	0.5
85.67129	0.3
89.02466	0.6
91.03260	0.3
98.20607	0.4
125.02481	0.6
128.25978	0.3
143.58678	0.4
152.94713	0.3
164.43378	0.4
164.50739	0.3
223.47678	0.3
259.06186	0.9
269.04639	0.6
287.05771	0.4
327.15350	0.3
358.82559	0.3
441.57706	0.3
449.11133	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	11.3
60.01714	0.7
61.98829	100.0
69.47151	1.9
71.01375	2.3
73.02953	0.3
76.92862	0.4
85.02956	1.0
87.00886	0.5
89.02457	0.7
93.03452	0.6
101.02455	1.8
101.18661	0.3
113.02448	0.8
119.03531	0.5
161.03343	0.4
161.04590	1.2
162.05026	0.3
166.03079	0.3
173.04541	0.7
191.05608	2.2
218.02592	0.4
287.15195	0.6
298.17365	0.4
385.25021	0.4
388.20758	0.6
389.21835	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	14.3
60.01730	1.4
60.81770	0.6
60.99313	0.6
61.42852	0.6
61.98833	100.0
63.71531	0.6
65.95067	0.7
71.01389	6.4
71.02518	0.7
71.71638	0.6
73.04066	3.5
75.00886	1.4
79.88319	0.6
81.28233	0.6
85.02990	1.3
87.00889	1.4
88.04060	3.0
88.92632	0.7
89.02451	1.9
93.03476	2.6
95.01350	0.7
98.19870	1.6
101.02490	0.9
111.04542	0.8
113.02483	1.5
115.00378	8.3
116.05083	1.6
119.03428	0.8
129.10364	2.7
132.02179	0.7
132.02998	3.4
137.09767	0.9
142.77827	0.7
146.06110	1.4
150.78952	0.6
155.10771	4.7
164.07269	1.0
167.05725	1.7
168.11414	1.1
173.04507	3.1
176.03571	0.7
186.12517	7.7
191.05594	5.0
203.69418	0.7
224.12871	1.5
227.03539	10.3
228.03815	13.4
241.13446	0.9
242.11893	1.0
249.06148	1.7
255.02988	10.1
256.03333	17.5
257.03885	2.6
284.03235	7.1
285.03641	17.0
286.04297	5.8
315.18280	2.5
333.19315	7.9
334.17719	9.1
405.21323	2.5
448.09659	31.4
448.23318	1.3
449.09854	2.8
449.15735	3.6
449.21378	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01351	0.6
63.63074	0.4
69.29949	0.3
78.95910	6.2
99.27956	0.3
109.32925	0.4
110.98535	4.4
152.99652	0.4
167.01166	2.2
185.02190	3.5
200.30769	0.4
229.00594	0.5
247.80048	0.4
253.16800	0.4
279.23282	100.0
280.23636	8.7
339.22153	0.3
447.25159	5.0
448.25656	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.26
Annotation	N-Acetyl-leu-leu-tyr-amide
Peak:m/z	Relative Intensity
54.33251	1.2
55.01864	1.2
58.00597	1.4
59.01381	31.2
61.98820	4.0
71.01387	13.4
72.99334	1.6
73.02941	3.7
81.15363	1.1
83.01376	3.0
85.02146	1.0
85.02948	6.4
89.02444	4.6
101.02441	14.2
111.00891	1.3
113.02453	4.8
119.03529	3.1
161.04529	1.9
267.19577	2.5
285.20642	6.2
371.31992	1.4
429.25116	3.2
447.25958	100.0
448.26282	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	447.2384
Annotation	Ugaferin
Peak:m/z	Relative Intensity
51.35000	0.5
59.01374	4.4
61.98825	1.5
62.70273	0.5
69.62588	2.9
71.01377	1.2
72.93029	0.5
78.95904	5.0
96.96889	0.6
98.19803	0.8
101.02442	0.8
114.22517	0.4
117.03469	16.0
118.03786	0.4
118.49516	0.5
119.05029	45.5
120.05374	1.9
121.02966	0.9
135.04536	0.6
138.89543	0.5
145.02951	100.0
146.03282	5.9
152.99565	4.2
155.53618	0.5
161.02467	1.8
161.04564	0.7
163.04005	38.1
164.04364	0.7
214.04822	0.7
221.19099	8.4
234.41931	0.5
247.08548	0.5
251.20134	15.7
251.66626	0.5
265.18024	5.8
266.18430	0.8
283.19119	8.2
284.19562	1.0
301.20190	20.2
302.20554	1.6
334.24796	0.5
350.95602	0.6
387.20172	0.7
431.86703	0.6
447.23883	47.2
448.24292	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	447.2237
Annotation	Atractyloside A
Peak:m/z	Relative Intensity
50.17819	0.3
55.01869	0.7
57.03448	0.5
58.00583	1.6
59.01381	32.0
61.98829	2.1
69.03440	1.5
70.85674	0.9
70.86001	0.4
71.01006	0.8
71.01385	14.4
72.99302	1.3
73.02952	3.0
75.00875	0.5
83.01384	1.7
83.05017	0.6
85.02945	3.6
87.00871	1.0
89.02446	13.0
93.03445	1.1
95.01397	1.1
96.96009	0.6
101.02442	8.9
113.02460	4.8
117.01921	0.8
119.03502	3.9
125.02393	0.4
128.03519	0.8
131.03503	0.7
135.08151	0.8
137.09636	0.4
143.03461	0.7
145.06180	0.6
153.09222	1.0
161.04546	1.5
163.11224	0.4
165.07755	0.4
173.06902	0.4
179.05574	1.0
191.05632	2.6
195.13834	0.8
203.14395	0.9
205.12337	0.5
207.14006	0.5
221.15453	2.2
223.13402	0.7
225.14925	1.1
230.02893	0.5
239.16493	0.8
243.13548	0.5
249.15012	1.2
267.16013	21.7
268.16391	1.3
273.07800	0.7
285.17084	8.0
286.17368	1.0
293.08923	0.7
442.11447	0.4
447.22360	100.0
448.22687	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	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.9
59.01377	100.0
60.01714	1.4
61.98838	5.4
69.84253	0.9
70.53812	3.2
71.01378	14.6
72.99311	1.5
73.02927	3.8
75.00883	1.5
83.01380	1.9
85.02946	6.8
87.00880	0.9
88.43070	0.9
89.02443	8.3
95.01368	1.1
99.00853	1.5
101.02443	9.8
113.02452	7.3
119.03496	3.3
143.03474	1.3
147.22740	0.9
153.09167	2.8
161.04535	5.2
161.11363	1.0
179.05547	1.1
202.81285	0.9
225.14882	1.6
267.07181	1.5
387.20221	25.7
388.20419	2.8
403.16022	2.5
447.15027	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	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01710	1.2
61.98822	3.1
70.17598	1.4
70.17997	0.7
71.01380	8.3
73.02934	1.3
75.00887	1.3
83.01397	0.6
85.02969	1.5
87.00883	0.7
89.02456	7.1
93.03465	1.0
94.32497	0.5
99.00894	0.7
101.02448	4.8
104.71642	0.6
110.70149	0.5
113.02443	3.3
119.03476	3.3
129.10335	0.6
130.08762	0.6
134.06070	0.5
137.09740	0.6
143.03560	0.8
150.58752	0.6
161.04533	4.1
165.12898	2.3
167.53026	0.5
173.04588	1.3
179.05704	1.4
189.12886	0.6
191.05678	1.6
207.13913	4.7
211.13426	1.6
225.14896	1.1
230.65010	0.7
255.03230	0.7
269.09448	0.8
301.03558	0.6
387.20187	4.3
388.20538	0.6
413.09937	0.5
415.20084	0.6
447.08914	1.3
447.18033	1.2
447.26495	3.0
465.33865	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38163	0.3
59.01379	100.0
60.01715	1.5
61.98839	2.4
70.27793	1.0
71.01375	3.7
73.02951	0.7
85.02960	1.1
89.02453	2.1
89.34036	0.3
101.02458	2.2
113.02458	1.6
113.13102	0.3
119.03516	1.3
123.08167	1.8
137.09750	0.4
143.03569	0.4
159.03026	0.5
161.04536	3.5
163.11311	1.5
179.05659	1.4
189.12791	2.2
207.13878	5.0
225.15053	1.8
387.20242	2.0
447.22485	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13145	6.5
59.01377	100.0
71.01375	13.7
71.07378	11.9
78.95891	31.1
89.02453	8.1
90.25607	6.1
109.87992	6.3
121.03033	7.5
152.99551	36.3
167.07219	6.9
192.63460	6.2
203.13252	7.5
225.15070	13.7
255.03067	7.6
293.40228	6.9
327.52612	7.5
374.71536	8.0
387.20157	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	447.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89363	5.9
59.01380	100.0
61.73986	5.8
61.98838	10.8
70.76810	14.4
70.77145	8.3
71.01370	14.0
75.47166	7.0
78.95903	19.5
113.02453	12.8
121.02940	14.5
152.99580	17.2
303.03699	6.4
387.20407	9.9
448.30688	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	447.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00567	1.5
59.01378	47.7
61.98826	7.9
63.81779	1.5
70.02997	2.3
71.01376	24.5
71.51266	1.9
71.51707	1.9
72.99315	1.6
73.02252	1.6
73.02944	5.1
73.04083	4.8
74.02470	2.8
74.13213	1.2
75.60703	1.3
82.02993	6.4
83.01385	1.9
83.02524	4.5
85.02954	5.2
87.05629	3.8
89.02442	23.3
95.01393	2.2
95.02547	1.6
96.00911	32.3
98.02481	18.3
99.00944	1.6
99.01994	2.2
101.02431	17.9
109.04060	2.0
110.02474	41.7
113.02475	7.7
113.03577	69.1
114.03895	3.4
119.03509	9.0
123.05658	2.9
127.05215	1.9
128.03551	4.8
130.08739	83.1
131.03723	1.7
131.04602	12.0
131.09108	3.9
139.08791	5.9
141.10324	15.0
143.03554	2.0
143.11884	11.1
149.03549	5.2
151.05127	2.3
153.03058	2.9
153.85928	1.7
154.01418	2.1
161.04543	3.0
167.08231	8.7
168.08998	4.5
169.09833	9.0
171.04178	2.4
177.12776	1.8
179.05632	2.5
187.10873	22.5
191.05502	2.2
203.38348	1.5
207.13907	5.4
221.15535	3.4
225.14893	3.1
237.12534	2.7
244.13098	2.9
254.08156	1.7
262.12061	3.2
267.15952	3.8
280.13129	7.0
284.02881	4.4
285.04022	4.1
285.17059	3.7
288.15863	2.0
293.35989	1.6
306.14682	1.6
322.50613	1.9
324.11984	85.0
325.12375	6.8
341.14682	16.2
350.13586	7.0
367.16373	2.2
368.14645	31.6
385.17249	22.2
386.17749	1.8
394.16446	2.1
403.18427	2.8
411.19226	2.4
412.17215	17.2
413.17606	2.5
429.19815	18.5
430.19800	2.0
447.09491	4.3
447.22330	100.0
448.22742	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.8
60.99714	0.3
62.96396	1.1
63.29505	0.3
64.48522	0.3
65.79653	0.3
71.20799	0.3
71.21136	0.5
78.95905	37.8
83.97489	0.3
96.96974	2.8
112.88520	0.3
132.78070	0.3
139.24051	0.3
149.00093	19.5
149.35477	0.3
152.99577	1.3
158.92506	1.5
172.02261	0.3
172.70918	0.3
179.01205	2.1
191.08659	0.3
205.15968	1.6
208.95871	0.3
267.11389	0.4
347.08112	0.4
351.36856	0.4
417.12509	0.8
431.10196	2.2
432.10568	0.5
447.13409	100.0
448.13748	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	447.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51038	0.2
59.01378	2.1
59.50026	0.2
61.98823	0.8
62.96404	1.1
70.95135	0.6
71.34425	0.2
71.78052	0.3
78.91892	0.9
78.95904	46.3
80.91682	5.8
85.29207	0.3
93.21955	0.3
96.96965	3.2
98.20148	0.4
116.78071	0.3
121.02988	0.4
122.98035	0.3
149.00092	20.3
150.00441	0.5
152.99580	5.5
153.09306	0.3
158.92546	2.4
165.01851	0.3
179.01149	2.9
205.15947	1.5
240.96799	0.5
245.61058	0.3
267.11627	0.4
270.65698	0.3
315.36047	0.3
323.10641	0.3
347.08267	0.6
387.20264	0.3
417.12320	1.0
431.10187	2.8
432.10971	0.7
447.13416	100.0
447.97977	0.4
448.13806	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	447.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12506	0.6
59.01105	1.3
59.01384	16.6
59.11569	0.6
61.98825	4.9
69.80109	3.8
71.01379	6.2
72.99327	1.0
83.01403	0.7
83.66968	0.7
85.02944	1.7
87.00857	0.7
89.02450	5.9
96.00919	1.8
96.96021	1.2
98.02476	0.8
101.02450	4.1
102.98581	1.0
106.90745	0.7
110.02487	1.2
113.02441	1.9
113.03576	2.1
117.03465	10.2
119.03512	2.0
119.05026	5.8
120.99657	100.0
122.00009	1.9
124.19302	0.6
127.05138	1.5
128.03551	2.0
130.08749	5.3
131.04622	1.1
135.04567	0.9
143.11894	1.2
145.02959	67.1
146.03270	3.0
159.04436	0.8
161.04590	1.2
161.06024	1.1
163.04030	9.1
169.09839	1.3
173.04613	0.8
179.05612	0.9
187.04041	3.3
187.10840	1.0
191.05684	0.8
193.49471	0.8
235.06258	0.9
265.07172	1.4
267.16031	1.6
273.05066	1.0
277.49393	0.6
285.16971	1.1
285.20215	0.8
301.07257	1.9
303.16583	0.7
324.11938	3.8
325.09265	28.3
326.09570	3.5
349.97437	0.8
355.16251	1.4
368.14590	1.8
385.17218	1.5
403.18500	1.5
405.16037	1.1
412.17349	0.8
447.22333	10.3
448.22662	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.3
63.02393	1.4
65.00320	2.2
81.26638	0.7
83.01398	2.2
85.99872	0.7
105.47764	0.6
107.01390	5.5
108.02185	2.2
109.02950	4.0
117.36446	0.6
121.02956	4.8
128.90390	0.6
135.00888	1.7
139.03998	0.7
148.01620	2.0
151.00368	21.9
152.00876	0.8
159.04497	1.1
163.00407	4.9
164.01089	1.3
178.99847	9.8
182.80452	0.6
183.04594	0.8
183.95564	0.7
187.04060	1.2
190.99864	1.0
192.09775	0.8
198.03198	0.9
199.04027	1.5
201.05603	1.2
211.03957	2.9
215.03560	0.8
226.02673	1.6
227.03534	9.2
228.03984	1.0
229.05042	2.5
239.03540	0.8
243.02965	13.4
244.03386	1.2
244.12199	0.8
245.04610	2.8
254.02266	2.2
255.02980	39.3
256.03387	3.0
271.02460	63.8
272.02881	6.1
273.03961	2.2
283.02328	3.7
284.03214	5.0
285.04004	3.2
299.01892	0.9
300.02744	100.0
301.03488	85.6
302.03857	6.9
447.09296	84.2
448.09665	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	447.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83824	1.3
52.07621	1.1
59.01381	33.4
61.98837	7.0
62.24440	1.2
71.01385	13.9
71.53532	2.6
71.58944	1.1
73.02958	2.1
74.72987	1.1
80.91659	1.2
85.02953	3.2
85.18839	1.3
89.02444	12.0
93.03458	1.8
96.00932	2.3
96.96021	3.4
98.02425	1.2
101.02463	4.5
110.02499	2.4
111.00906	1.7
113.02451	3.3
113.03590	4.3
117.03494	8.7
119.03484	3.1
119.05010	7.3
120.99657	100.0
121.99990	2.6
125.02410	2.5
127.05148	2.4
128.03537	3.0
130.08719	3.7
131.03462	2.6
132.03085	1.2
138.03238	5.4
145.02953	69.0
145.06253	1.5
146.03299	4.3
153.05525	3.0
161.04607	1.3
161.06090	1.6
163.04021	9.8
173.68456	1.1
178.22806	1.2
187.03998	2.9
191.05618	1.7
193.20372	1.4
229.06177	1.8
259.03296	1.3
265.07233	2.5
267.15930	2.0
285.17117	1.8
324.11954	3.4
325.09244	28.9
385.17157	1.8
403.18118	1.7
447.22449	18.1
448.22382	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	447.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26783	0.5
59.01380	15.4
60.01665	0.4
61.98825	2.8
63.02422	0.4
65.00317	0.8
69.46114	0.9
69.46518	2.2
73.02973	0.5
78.20473	0.5
79.97185	0.4
85.02958	0.6
89.02415	2.5
101.02424	1.5
107.01411	1.0
113.02423	1.3
115.38924	0.4
119.03490	1.2
151.00374	2.7
175.03850	0.6
178.99765	0.6
183.04472	1.3
190.46455	0.5
199.03937	0.5
209.54887	0.5
211.04028	1.7
227.03485	70.4
228.03822	4.8
229.05054	1.5
239.03415	0.9
241.05135	0.5
255.02975	86.6
256.03564	11.8
257.04303	1.7
269.04510	0.6
284.03250	77.6
285.03922	23.4
286.04376	1.3
315.09647	0.5
327.05145	1.4
387.19891	0.7
410.86996	0.5
447.09296	100.0
448.03787	0.9
448.09610	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	447.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32858	0.4
59.01382	28.3
61.98823	1.2
63.02394	0.5
64.11846	0.4
67.54305	0.5
69.44049	1.0
69.44458	2.4
71.01028	0.6
71.01385	3.7
72.67118	0.4
85.02951	0.6
87.00872	1.1
89.02438	5.2
93.03437	0.6
101.02433	1.7
107.01398	0.9
113.02453	1.8
119.03480	2.3
125.02408	0.4
127.03528	0.4
131.03551	0.5
135.00774	0.6
135.87616	0.4
143.03539	0.4
151.00375	3.4
161.04617	1.1
178.99829	0.5
179.05540	0.5
183.04483	1.3
185.06068	0.6
187.03925	0.6
188.00522	0.5
191.05533	0.6
199.04105	0.6
211.04045	1.9
227.03493	69.8
228.03873	5.4
229.05016	1.9
239.03545	0.8
255.02983	88.2
256.03561	13.7
257.04327	1.3
284.03265	73.3
285.03922	24.9
286.04276	2.2
327.05008	1.3
362.08975	0.5
387.20258	1.0
447.09320	100.0
448.09665	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	446.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	18.7
56.02190	1.9
57.27026	1.5
58.02975	62.0
59.01379	100.0
61.98823	5.7
69.03479	1.8
70.74158	3.4
71.01380	13.4
73.02935	12.1
78.95929	8.8
83.01385	70.0
85.02989	4.4
86.02459	2.7
87.92073	1.6
89.02446	2.4
93.88952	1.9
98.02483	2.8
99.00869	4.8
100.04050	4.6
100.28336	1.7
101.02436	10.2
109.37641	1.9
113.02441	8.2
119.04992	1.8
135.04588	2.4
140.03558	29.4
140.80247	1.6
142.05096	81.6
143.05449	2.6
145.02968	2.5
152.99576	14.1
161.02466	6.7
179.03580	2.0
241.26680	1.7
243.19627	85.2
244.19957	6.2
285.20657	6.2
387.20624	2.0
447.23462	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	446.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	13.6
61.98825	2.4
62.12895	0.5
70.42519	0.5
71.01380	1.7
71.53773	1.1
72.99285	0.6
78.95907	35.3
80.91669	0.8
82.35029	0.5
91.14384	0.5
91.62469	0.5
96.96989	1.0
106.40099	0.5
111.08369	0.5
122.00122	0.8
140.01196	7.7
152.99591	10.9
196.03790	13.0
205.19553	1.0
214.04895	3.1
231.17683	0.7
234.75305	0.7
236.10199	1.3
249.18584	100.0
250.18939	9.4
272.04706	0.6
279.41470	0.6
303.23193	0.5
304.59381	0.5
312.22488	0.7
331.18848	0.7
369.71622	0.5
446.23077	20.8
447.22711	2.9
447.29221	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	446.231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14703	0.4
55.84175	0.4
59.01381	5.5
61.98814	0.4
70.05090	1.2
71.01398	0.5
78.95905	12.0
83.05025	0.6
96.96999	0.4
102.14867	0.4
140.01170	2.6
144.28326	0.4
149.00089	0.5
152.99591	3.7
161.73367	0.4
171.00621	0.6
196.03828	1.2
205.19583	0.8
214.04843	3.0
231.17493	0.7
247.17038	0.6
249.18585	100.0
250.18912	9.1
265.42761	0.4
387.20148	0.5
416.28546	0.4
446.17255	0.7
446.23093	8.7
447.13602	3.1
447.23260	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	446.203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93132	1.7
53.77300	1.4
59.01384	13.0
61.98833	100.0
69.31961	3.5
69.32365	10.1
71.01369	4.3
83.01383	1.9
89.02444	2.1
101.02464	4.9
113.02454	1.9
446.26410	2.7
447.26053	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04085	3.4
59.01379	16.9
61.98827	8.9
62.95870	1.2
67.03011	2.8
70.15654	2.3
70.16039	2.4
71.01376	8.7
72.99348	1.3
73.02931	2.7
81.04556	1.7
82.03024	2.0
83.02506	7.9
85.02939	4.7
87.05621	1.3
88.04033	1.6
89.02436	5.6
92.05058	19.8
96.00916	6.2
98.02463	2.7
99.92661	1.2
101.02428	6.9
102.05610	6.5
106.04112	1.9
109.04082	12.8
110.02446	4.0
113.02432	3.2
113.03564	8.0
119.03486	2.3
120.04556	2.8
121.02943	1.3
126.05835	1.9
126.06729	32.8
128.03540	29.9
130.08748	9.1
131.04514	1.1
135.05666	6.5
136.04033	3.8
138.06740	1.7
141.10301	1.6
146.04604	5.9
147.05638	12.0
148.04044	22.6
149.04486	1.9
161.04533	3.2
163.06229	2.0
177.10350	8.2
187.10844	3.3
189.10313	12.5
203.08179	1.7
215.08205	3.3
221.06358	1.3
221.09303	4.0
231.12421	1.9
233.09285	13.8
236.88179	1.2
242.93904	1.5
255.02930	1.5
275.11502	37.9
276.11774	2.5
283.02509	3.1
284.11029	1.4
285.16855	1.3
300.10910	5.0
317.13589	11.0
318.13791	2.1
324.11862	9.9
341.14890	1.8
343.14371	1.3
360.16821	18.6
361.17072	1.3
368.14313	3.0
385.16840	3.2
386.14709	5.0
387.12753	1.6
404.15726	100.0
405.15945	11.8
411.14102	1.3
428.16840	3.2
429.15112	9.1
429.19952	1.4
430.15942	1.5
446.17838	76.3
447.09048	1.7
447.17740	6.2
447.22284	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	446.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55861	0.7
54.07191	0.6
55.01884	5.0
57.03448	5.3
58.00597	4.3
59.01380	78.6
60.01722	0.9
61.98831	30.9
69.03458	2.3
71.01384	100.0
71.53853	0.9
72.01727	1.7
72.99316	8.1
73.02948	23.3
73.04070	1.3
74.02470	5.8
75.00880	1.7
81.03451	1.0
82.03011	1.0
82.95415	3.3
83.01395	15.4
83.01891	1.1
84.01720	0.7
84.02189	0.9
85.02953	36.6
86.03313	0.8
87.00861	4.8
88.04055	1.7
89.02447	53.0
90.02786	0.7
93.03462	0.8
95.01381	7.3
95.05022	1.4
97.02959	2.7
99.00882	10.7
99.05646	0.9
101.02444	87.0
102.02766	1.7
102.05617	1.6
105.03146	0.8
110.02523	1.3
111.00883	5.8
113.02451	39.4
113.55017	0.8
114.02775	1.4
115.00368	2.4
115.08793	1.5
116.07132	0.8
119.02651	1.4
119.03497	23.3
121.76855	0.6
123.04541	5.8
125.02454	2.5
127.05132	0.9
128.03546	9.6
129.10339	2.3
130.08734	1.4
131.03484	4.2
139.00397	0.7
141.04619	0.8
141.05540	3.5
142.05142	1.4
143.03503	10.0
145.06235	1.0
146.04556	1.5
147.05992	1.1
149.04559	2.8
151.04089	0.9
153.09219	1.1
154.29413	0.8
155.08209	1.1
159.02998	6.2
161.04556	25.8
168.06613	2.7
179.05608	7.4
191.05649	2.8
198.12456	0.8
200.09319	1.3
206.08253	1.1
228.17221	1.2
246.10338	0.8
246.12796	1.3
252.08815	2.0
266.10361	1.0
284.11374	15.1
285.17111	2.8
318.15106	0.8
328.10498	1.4
331.20877	1.8
344.13611	1.2
377.95398	0.8
403.20129	8.5
403.24551	1.0
446.16754	36.1
446.22583	8.2
447.17328	3.5
447.22958	8.2
464.03458	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	7.4
57.03445	5.6
58.00586	3.8
59.01378	88.6
59.48237	0.8
60.01710	1.3
61.98829	35.2
67.01878	1.0
68.99789	0.8
69.03452	2.4
71.01383	100.0
72.01714	1.9
72.99317	5.3
73.02560	1.5
73.02949	25.0
73.04043	1.1
74.02482	4.0
75.00877	1.8
81.03442	1.3
82.95412	2.7
83.01389	15.9
85.02950	37.5
87.00877	4.9
88.04036	1.3
89.02445	56.2
93.38236	0.9
95.01402	7.1
95.04978	1.3
96.00898	1.2
97.02981	4.3
98.02452	1.7
99.00881	11.8
99.05603	1.0
101.02443	90.7
102.02784	1.9
102.05587	1.7
110.02505	1.3
111.00890	6.3
111.20544	0.8
113.02451	40.1
114.02771	0.9
115.00353	1.9
119.02663	1.5
119.03500	24.0
123.04549	7.0
124.03973	1.0
124.07671	1.3
125.02417	2.7
128.03552	7.3
129.01884	1.0
129.03850	1.7
129.10320	2.4
131.03477	3.3
137.04619	0.8
139.08864	1.1
139.64024	0.9
141.05528	3.3
143.03502	7.5
146.04619	1.1
149.04509	1.8
153.09200	1.1
159.02988	7.3
161.04549	28.5
168.06551	1.5
173.09375	0.9
179.05583	7.3
191.05579	2.9
212.24159	0.7
212.71205	0.9
216.30107	0.8
228.17043	1.2
234.07729	1.2
246.12737	1.2
252.08659	2.3
266.10458	1.8
284.11380	16.7
285.11716	0.9
285.17087	2.2
293.58459	0.9
328.10208	1.3
331.20950	1.5
336.26151	0.9
387.20142	1.1
403.20114	4.3
404.15765	1.2
428.22058	1.1
446.16513	35.6
446.22229	7.3
447.16537	4.1
447.22968	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33189	1.7
56.37109	1.6
59.01380	100.0
60.06568	1.5
61.98825	5.4
71.01366	1.9
71.51942	1.7
71.52288	1.8
78.95906	34.3
80.91685	2.7
96.95986	2.4
96.96946	2.5
102.93382	1.7
111.36600	1.5
118.96740	1.7
119.03513	1.5
121.02972	2.1
152.99594	16.8
153.09215	2.1
171.00601	6.7
176.33456	1.7
187.37457	2.3
249.18579	23.3
258.07367	2.2
311.22339	8.9
446.23032	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	445.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.0
58.00601	1.1
59.01380	100.0
60.01706	1.2
69.16122	5.4
71.01384	19.1
72.99323	1.2
73.02938	1.4
83.01385	1.7
85.02972	5.1
87.00927	0.8
89.02444	17.3
95.01398	1.8
100.24387	0.5
101.02441	12.8
106.70019	0.5
107.58691	0.5
113.02447	7.2
113.77961	0.5
113.89506	0.6
119.03514	7.4
124.97927	0.5
133.98196	0.5
143.03502	0.6
159.63283	0.5
265.18063	1.8
350.42294	0.5
385.22302	0.8
427.23349	7.6
428.23389	1.1
445.24429	90.9
446.24844	12.2
467.21701	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
57.03452	0.5
59.01379	100.0
60.01718	0.8
61.98832	0.7
71.01379	5.6
73.02950	1.9
83.01400	0.8
85.02957	2.7
89.02468	1.6
98.20724	1.0
99.00911	1.1
101.02435	3.4
102.03416	0.3
110.18884	0.4
110.41547	0.4
113.02435	2.6
119.03536	1.0
123.63120	0.4
130.28085	0.4
155.44289	0.4
159.03023	0.4
161.04550	4.4
338.51413	0.5
385.22562	1.0
427.23505	0.8
445.24411	9.8
446.25089	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	445.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39469	0.4
54.96183	0.4
59.01379	1.4
70.84441	1.3
78.72627	0.4
78.95908	6.9
83.26357	0.6
86.70705	0.6
107.95315	0.4
110.98524	5.0
167.01173	2.5
185.02184	4.6
277.21707	100.0
278.22049	10.8
445.23581	5.2
446.23929	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	445.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35533	0.4
51.11980	0.4
52.48917	0.5
59.01391	1.6
69.23270	4.5
78.95901	20.1
83.89436	0.5
94.99030	0.6
98.19930	0.9
99.18327	0.5
104.97479	0.8
105.28098	0.5
110.87315	0.4
110.98531	13.4
113.60961	0.4
137.00110	0.7
145.02975	0.6
167.01138	15.3
185.02196	3.8
234.44954	0.4
255.19379	0.5
265.70581	0.5
275.20227	0.5
277.21704	100.0
278.22061	9.0
294.12686	0.5
365.30548	0.5
445.23535	16.0
446.23923	1.8
453.35101	0.6
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
50.96556	0.7
57.03466	1.4
57.50888	0.7
58.00590	1.5
59.01379	100.0
60.01723	1.1
61.98836	3.0
68.38129	0.6
71.01382	18.0
72.99316	2.0
73.02952	1.4
74.13991	0.6
83.01392	1.8
83.05014	0.8
85.02940	3.2
87.00891	1.3
89.02444	23.2
93.03464	1.6
95.01401	0.8
96.34895	0.6
98.19836	1.4
99.00925	0.8
101.02440	15.7
113.02458	6.7
119.03511	12.1
119.26719	0.7
121.06586	0.7
123.63297	0.6
128.97311	0.6
130.08707	1.5
141.68919	0.6
143.03479	1.2
158.98080	0.7
161.04539	5.1
163.11302	1.4
165.09261	1.1
173.04561	1.5
179.05600	7.2
205.12358	1.6
209.11868	3.1
219.79150	0.7
223.13379	8.8
229.12527	1.0
235.13458	2.3
237.15150	1.5
247.13437	1.8
265.14542	3.4
285.17270	0.8
307.15494	0.8
311.15164	0.9
347.38803	0.6
401.24286	1.0
427.24533	1.2
445.20822	1.6
456.88797	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	56.1
61.98827	9.1
63.68937	1.2
64.11704	1.2
69.27695	2.4
69.28098	9.0
75.00868	9.5
81.92466	1.2
103.00372	100.0
104.00732	1.7
104.03543	4.2
155.94122	1.3
280.11261	1.2
320.86917	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.199
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25591	1.1
59.01381	100.0
60.01701	1.7
61.98827	2.5
71.01369	1.9
78.21354	0.9
78.95902	3.4
85.02938	1.0
89.02426	1.1
92.63648	0.9
101.02421	1.4
121.02950	1.4
131.24046	1.0
149.00079	6.4
161.04568	0.9
205.15921	5.9
230.57277	0.9
241.32898	1.1
355.16782	19.1
356.17172	2.0
385.17957	12.9
386.18451	1.4
445.19904	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	445.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	0.8
58.14634	0.6
59.01383	100.0
60.01720	0.6
60.79218	0.6
61.98832	1.0
69.44747	1.8
69.45158	2.4
71.01382	16.0
72.99319	1.1
80.85597	0.6
85.02968	2.4
87.00890	1.8
89.02450	21.5
90.02745	0.7
94.04697	0.6
95.01398	1.1
101.02450	6.8
113.02446	7.0
119.03514	7.6
131.03526	1.5
134.98399	0.7
143.03497	1.1
161.04578	2.3
179.05595	5.0
205.12335	18.1
206.12732	1.3
209.11916	1.7
216.93851	0.7
349.34338	0.6
445.21426	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	11.0
60.01699	0.3
61.98831	100.0
69.23411	1.9
69.23820	1.0
71.01385	3.5
71.05030	1.1
73.02946	0.7
83.05045	0.4
85.02973	1.1
87.00890	0.8
88.04076	0.6
89.02457	2.9
93.03461	0.6
96.00930	0.4
96.16098	0.3
98.02496	0.5
98.20608	0.6
99.00872	0.4
101.02443	1.9
109.06571	0.3
111.04570	0.3
113.02451	1.7
114.05604	0.4
114.10635	0.3
115.08817	0.4
118.67620	0.3
119.03495	1.4
123.08163	0.3
128.03554	0.9
129.10391	0.3
130.08734	1.6
138.09174	0.4
145.02972	0.5
146.03288	0.5
151.07628	0.6
157.09836	0.4
159.11833	0.4
161.04536	1.0
161.54259	0.3
173.04518	1.5
177.12825	0.5
179.05597	0.4
179.10767	0.8
182.36674	0.3
182.57378	0.3
186.12476	0.4
203.10788	0.8
205.12331	0.8
209.11832	6.1
221.11850	0.8
223.13414	0.4
229.73906	0.3
253.09387	0.4
265.10764	5.4
299.21005	0.4
323.16058	0.6
414.23669	0.4
427.22018	0.6
444.19580	1.7
444.25302	1.5
445.20386	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77985	0.2
59.01382	4.6
61.98820	2.4
66.83286	0.3
67.01902	0.2
69.40277	1.4
69.40688	0.5
71.01374	2.6
72.99282	0.4
73.02947	0.4
85.02953	0.8
87.00874	0.9
89.02444	2.5
91.96494	0.2
93.03457	1.7
96.00927	0.8
98.02485	0.8
101.02439	1.7
106.04255	0.3
107.02905	0.2
109.01703	0.3
109.06596	0.3
113.02451	0.9
115.08791	2.3
116.09129	0.4
117.03497	1.1
119.05026	43.8
120.04572	0.6
120.05370	1.9
130.08736	2.4
131.09100	0.6
132.05814	3.2
133.05394	0.2
133.06609	1.2
134.06136	1.2
134.06972	0.2
136.05305	1.1
136.07681	3.9
137.06082	0.3
137.09703	0.4
138.09238	0.6
139.07646	0.5
144.04602	0.5
145.02942	5.3
146.03265	0.3
150.41479	0.2
151.07646	14.5
152.07144	0.6
153.07439	0.3
153.09283	0.2
161.04553	0.9
162.05606	9.4
163.05923	0.8
173.04544	1.2
174.05580	1.5
176.07126	0.3
179.05664	0.6
191.05595	1.0
205.12225	0.3
211.14452	0.3
232.64876	0.2
240.10274	0.5
248.14702	0.3
265.14413	1.8
282.11340	100.0
283.11691	10.4
296.13281	0.3
308.33624	0.2
309.14661	2.0
310.14923	2.5
324.12354	0.3
328.15933	0.3
344.04193	0.2
385.18436	0.3
410.19403	0.3
425.23996	0.3
426.24268	2.6
426.83008	0.2
444.16464	2.5
444.25531	1.2
445.12283	0.8
445.21301	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	443.251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.0
61.98819	6.2
69.55080	0.8
69.71109	2.0
69.71510	3.9
70.02972	1.9
71.01357	1.4
81.02194	6.8
82.02982	3.4
82.06617	1.4
83.04988	1.0
85.30882	1.0
96.00922	8.2
98.01892	1.6
98.02480	21.0
98.20662	1.8
108.08185	2.3
109.01677	9.0
111.03275	1.3
114.01962	3.2
115.08770	66.6
116.07143	2.2
116.09132	1.5
116.44997	1.1
124.07676	2.9
125.07185	4.7
126.05583	2.2
129.34663	0.9
130.08739	63.9
131.09088	1.6
138.05620	1.0
138.09248	25.8
139.08725	1.9
140.07199	2.1
141.06700	1.4
149.06071	0.9
151.08765	2.2
152.06020	1.8
152.07169	22.4
154.08696	2.4
161.03523	2.4
163.08801	1.4
164.09477	2.0
166.08708	3.8
168.08937	1.2
185.16551	2.6
195.07777	2.7
196.06126	3.0
204.09061	2.0
208.96677	0.9
211.14482	10.2
212.10332	2.3
219.15038	4.0
221.16603	12.8
222.10074	1.9
222.14986	1.9
222.16986	1.4
229.15518	6.9
245.14114	1.0
247.14507	14.2
248.14799	1.2
265.15588	9.9
309.14554	100.0
310.14841	8.3
312.15591	4.4
327.15509	3.5
330.86691	1.1
425.24048	74.8
426.24466	9.2
443.19363	2.0
443.24988	23.5
444.25372	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	443.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54204	0.8
61.20155	0.6
65.97646	0.7
70.97483	0.7
74.99102	0.7
76.84643	0.7
139.80385	0.7
159.08466	3.8
161.06403	1.2
177.87961	0.7
217.07166	1.2
277.07532	3.1
343.12216	0.9
345.13876	0.8
350.63513	0.7
357.13782	3.6
359.15338	100.0
360.15533	17.7
427.21579	49.6
428.21652	8.1
443.24799	6.1
444.25375	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	443.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42477	0.4
54.14360	0.5
59.01370	1.3
65.35685	0.5
69.53450	3.1
74.99083	1.1
93.93666	0.5
112.73582	0.6
159.08469	3.8
161.06375	1.1
217.07224	1.7
274.71439	0.5
277.07483	4.0
290.57831	0.5
343.12003	0.6
345.13638	1.0
346.48132	0.5
357.13821	2.6
359.15353	100.0
360.15515	16.4
377.16275	0.8
398.46381	0.5
425.20029	0.9
427.21600	52.1
428.21887	10.3
443.24768	7.3
444.25037	1.2
462.94043	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94226	0.9
59.01379	100.0
60.01718	1.1
61.98830	3.9
65.95756	0.6
67.70454	0.7
71.01380	6.1
71.51858	0.8
71.52271	1.0
72.04472	0.7
72.99308	0.9
73.02953	1.0
85.02943	1.3
89.02451	5.9
89.51747	0.6
101.02474	4.0
113.02440	1.6
115.00397	1.4
119.03521	3.9
131.20448	0.7
161.04538	0.8
327.21799	3.6
383.20804	1.6
401.21735	0.9
443.23166	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	13.9
61.98830	1.4
66.53085	0.8
69.03452	2.0
69.86512	1.3
69.86909	1.8
71.01383	26.4
72.99311	2.8
73.02946	4.1
83.01398	0.8
83.05009	1.2
85.02948	3.0
87.00883	1.2
89.02459	1.5
89.13618	0.8
90.00793	0.8
97.06544	0.8
98.20686	0.8
101.02444	4.0
113.02416	1.1
115.00362	10.5
119.08670	2.6
125.09683	1.4
127.11278	1.9
133.01447	1.9
137.09732	10.7
151.61211	0.8
165.12923	0.7
171.10268	61.6
172.10608	2.3
178.49196	0.8
183.13783	1.0
185.11810	1.0
201.11316	11.3
211.13396	5.4
213.11285	2.0
221.11937	1.3
221.15469	2.3
229.14441	2.5
273.18842	0.8
287.10101	1.1
291.19763	1.5
309.20706	5.4
327.21753	100.0
328.22043	11.4
339.85217	0.8
401.21872	3.1
404.44467	0.8
417.34485	0.8
443.22839	10.8
444.23395	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	443.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.8
61.77072	1.0
67.35551	0.9
69.03458	2.2
69.13844	2.3
69.14239	10.3
71.01376	35.0
72.99304	10.8
82.06988	1.2
82.66072	1.1
102.22243	0.8
115.00377	27.7
116.00654	1.0
119.08645	5.1
125.09711	2.0
127.11246	1.9
133.01434	16.1
137.09718	15.6
155.71582	1.3
171.10257	76.5
172.10619	3.4
197.68314	0.9
201.11337	16.7
202.11597	1.0
213.11401	2.0
273.18643	1.5
291.19690	1.6
299.43680	1.0
309.20746	9.3
327.21735	100.0
328.22009	10.6
425.21625	1.8
443.22797	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	443.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.1
59.01377	54.6
60.01702	0.8
61.98828	14.9
71.01374	2.4
71.54640	0.7
72.99301	2.0
73.02941	2.3
74.02471	0.6
83.05023	1.7
85.02934	1.2
87.00887	0.6
89.02444	1.5
93.03455	5.5
96.95982	0.7
99.04519	1.8
101.02473	0.5
106.44131	0.5
107.60796	0.5
108.21494	0.4
111.00847	0.5
111.04507	5.2
113.02465	1.0
124.67906	0.4
125.02356	0.6
130.08720	1.7
137.02409	1.2
149.06097	0.6
155.03499	5.2
165.12787	1.3
173.04576	0.9
189.12929	0.6
191.05562	0.7
207.13918	2.1
209.11803	5.4
225.14922	3.8
227.12880	30.3
228.13127	2.4
251.12886	1.3
269.13925	9.5
270.14197	0.6
281.04861	0.4
287.14987	100.0
288.15350	8.3
362.11960	0.7
374.50244	0.5
413.27686	0.7
443.18942	3.9
443.29092	0.6
444.19882	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.192
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01863	1.2
57.03430	1.9
58.00577	1.1
59.01380	39.0
60.01699	0.7
61.98828	30.2
71.00398	1.1
71.01382	26.7
71.01781	1.3
72.99303	2.1
73.02941	4.7
74.07288	0.6
83.01376	4.2
83.33732	0.6
85.02947	9.6
87.00871	1.7
89.02442	17.4
94.81937	0.5
95.01377	2.4
96.95983	0.9
99.00879	1.9
101.02438	19.9
102.02779	0.9
113.02460	10.6
119.03491	8.5
121.06622	0.8
159.02972	0.5
161.04526	2.3
189.12828	1.6
237.14969	1.4
281.13971	0.9
306.08939	1.7
309.19733	0.6
361.55032	0.7
362.11716	1.8
443.19183	100.0
444.13354	1.2
444.19516	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	443.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85677	0.3
57.95904	0.3
59.01385	4.9
61.98833	100.0
70.20265	0.2
70.76800	0.3
71.01384	4.0
71.52999	0.4
72.99326	0.5
73.02945	0.7
80.91733	0.2
83.01397	0.5
85.02945	1.6
87.00936	0.3
89.02439	2.1
90.36430	0.3
90.78722	0.3
90.97498	0.3
91.99990	0.2
99.00877	0.4
101.02436	2.8
113.02449	1.1
119.03501	0.9
128.03563	0.5
180.47194	0.3
192.01248	1.5
193.05038	0.3
248.03844	0.8
306.09238	5.3
307.09512	0.4
362.11795	6.9
363.12067	0.6
425.11343	0.9
443.19177	13.0
444.19647	1.3
444.25073	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03002	0.5
59.01388	1.5
61.98831	100.0
69.44036	1.0
69.44439	2.9
71.01368	2.1
78.95940	0.4
85.75079	0.4
88.04046	2.8
89.02430	0.8
93.03469	1.3
96.96014	1.2
98.19884	0.5
101.02450	0.4
102.45206	0.4
108.44239	0.4
111.00883	1.3
114.05642	1.7
115.00405	1.2
115.08765	2.3
127.05122	0.7
128.03548	1.3
129.10362	1.4
130.08788	0.8
132.03084	0.6
137.02513	1.1
152.01088	0.5
157.09843	1.7
165.74887	0.4
167.46051	0.4
169.09711	0.4
171.07819	1.0
173.04614	0.5
191.05679	1.0
193.13527	0.6
201.11304	0.7
209.11819	0.6
210.16061	0.5
263.13815	0.6
309.23026	1.5
327.24109	1.5
328.22543	1.3
399.18790	2.4
442.08203	0.7
442.19034	1.3
442.26773	1.7
443.19574	1.1
443.25235	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	441.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56451	1.0
55.01870	5.2
55.09233	0.8
57.03449	4.6
58.00589	2.8
59.01380	63.8
61.98836	4.5
71.01383	100.0
72.01706	1.7
72.99300	6.6
73.02949	19.4
73.67727	0.9
75.00869	1.7
76.87167	1.0
80.24500	0.8
81.03449	1.8
83.01392	9.5
83.05025	1.2
84.02197	1.3
85.02950	37.9
85.03463	2.0
86.03299	1.1
87.00890	4.8
87.76372	0.8
89.02444	52.3
95.01394	7.7
97.02934	1.4
97.06580	1.9
99.00887	9.8
99.04553	1.3
99.92577	1.0
101.02445	61.0
102.02766	0.9
113.02453	38.7
114.02773	0.9
115.03996	0.8
116.92850	3.4
119.03502	27.8
125.02442	2.7
129.01880	1.4
130.08722	0.8
131.03481	2.1
143.03560	4.9
149.04541	1.3
154.06244	4.4
159.03029	4.4
161.03242	1.7
161.04559	28.0
162.04941	0.8
166.95587	0.8
169.06813	0.8
170.24152	0.9
179.05602	6.6
205.03575	0.9
261.18774	1.5
309.14481	2.4
325.20102	1.3
341.19629	2.9
382.13913	1.1
405.22861	1.3
423.23950	8.3
424.24588	1.2
441.24997	13.1
442.25598	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	441.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95683	2.5
59.01378	41.4
61.98828	54.0
67.01890	7.7
69.69350	10.9
69.69760	7.4
71.01388	36.7
73.02941	21.7
73.72426	3.2
78.95908	4.4
82.02946	3.1
83.01383	6.2
85.01419	3.7
85.02940	25.9
86.58289	3.0
89.02457	9.7
93.03439	3.6
98.19833	3.6
99.00879	10.9
101.02434	48.2
108.02175	13.5
109.02975	3.3
111.00881	100.0
112.01181	3.5
113.02452	18.2
113.03594	3.9
114.05611	14.4
118.57852	3.4
119.05053	3.8
123.04510	5.5
127.05177	3.4
128.03629	3.1
130.08727	5.8
131.04611	6.6
143.03441	4.5
152.01125	25.6
153.01955	3.2
161.04549	15.2
167.03476	59.6
167.04753	5.8
185.03693	3.1
191.05591	7.7
195.11296	3.3
213.12479	3.2
226.11716	6.2
227.14063	10.0
244.12686	7.6
249.13425	97.3
250.13736	9.6
281.27597	3.2
326.90784	3.4
378.19202	3.7
381.17633	70.5
382.18137	6.2
441.18274	17.3
441.23602	19.2
442.26636	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54868	1.6
55.01882	3.4
57.03442	2.8
59.01381	73.8
61.98830	15.0
71.01011	2.4
71.01383	37.2
71.54474	2.1
71.74630	1.7
72.01640	1.3
72.99314	2.7
73.02941	16.3
74.02464	3.0
83.01385	7.6
84.01780	1.3
85.02958	18.0
86.13486	1.3
88.04049	1.8
89.02430	13.3
93.03461	1.6
95.01404	1.8
96.00925	1.8
99.00889	6.9
101.02448	38.8
109.02934	3.2
111.00884	8.5
113.02451	13.3
114.05601	5.7
119.05039	2.2
125.02447	2.0
128.03555	1.8
129.01871	2.0
129.10361	2.9
130.06210	1.5
130.08685	2.1
131.03506	32.9
135.04492	1.8
139.07637	2.6
149.10191	1.6
152.01196	1.5
153.01964	1.6
156.52464	1.4
159.03023	1.6
161.04562	11.0
167.03532	2.2
167.08298	1.5
201.11365	2.0
209.11761	3.6
249.13432	100.0
250.13750	7.6
279.12393	1.7
280.09851	12.4
280.12653	2.6
286.50128	1.5
381.17636	49.9
382.17923	6.0
397.17545	3.0
397.24799	3.3
424.57513	1.5
441.18463	2.0
441.25247	2.4
442.18408	3.6
442.26666	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	441.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.1
57.03440	4.3
59.01111	3.3
59.01379	41.8
61.98837	46.6
62.67562	2.7
66.74482	2.5
70.83972	4.3
71.01379	41.2
72.47073	2.4
73.02968	16.2
75.00866	2.6
78.95869	4.4
83.01383	6.0
85.02946	20.8
89.02433	8.8
97.02953	2.8
99.00877	7.2
101.02445	44.0
109.01711	3.6
109.02948	11.0
113.02432	14.9
114.05597	9.7
115.08762	4.9
119.05013	2.9
130.08766	3.4
131.04562	4.5
136.56389	2.0
143.03529	3.3
145.02928	6.6
153.01898	10.2
159.03050	2.9
160.37982	2.2
161.04611	14.8
166.08722	9.1
173.10356	3.5
195.40434	2.2
227.13882	4.2
249.13432	100.0
249.33081	2.5
250.13724	6.7
361.08646	2.5
367.10373	4.5
381.17645	58.3
382.18164	6.1
405.51382	2.5
441.17514	4.1
441.23132	4.8
441.28561	5.1
442.26978	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.4
56.38913	1.1
58.94203	1.2
59.01113	1.7
59.01381	22.4
61.98831	100.0
71.01377	11.0
71.54269	1.2
73.02937	3.9
74.77712	0.9
78.61140	0.9
85.02935	3.3
86.16888	0.9
86.78941	1.0
89.02436	3.6
101.02429	5.8
113.02432	3.4
139.04128	1.0
185.38237	1.2
219.27229	1.0
297.34421	1.1
352.30359	1.0
377.21912	1.1
436.30402	1.2
441.25027	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	28.7
61.98833	100.0
64.57848	7.3
69.29815	37.3
69.30245	23.2
71.01378	26.4
72.99300	12.6
77.42322	6.7
85.02950	14.8
87.00887	17.9
88.04055	10.8
89.02480	9.7
93.03490	7.8
95.01406	6.7
96.96021	16.1
101.25616	6.7
108.02272	10.9
109.02948	8.9
111.00880	67.2
113.02427	11.8
114.05607	8.8
115.00371	17.3
115.08759	12.2
119.05016	8.2
123.04528	7.1
128.03508	11.5
129.10359	12.4
130.08751	9.7
143.04633	17.4
152.01126	17.2
167.03481	35.9
169.13570	8.0
170.99664	6.4
191.05579	12.7
213.12469	18.6
223.11752	8.2
237.85022	7.6
247.97151	6.9
253.12773	9.6
284.02939	7.7
320.12192	8.7
327.24167	11.2
441.18442	73.6
441.23688	32.7
442.19852	12.1
442.26648	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	440.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	4.9
61.98828	13.2
69.37617	9.3
71.01384	2.7
71.05028	2.0
75.92838	1.1
78.95903	54.9
83.05013	1.2
85.70363	1.2
87.68823	1.1
96.95998	1.3
97.02940	5.8
97.06593	1.9
99.00882	15.0
101.02438	2.1
105.91216	1.2
107.49493	1.2
109.02936	3.1
109.72074	1.1
113.02417	2.2
114.05592	1.3
119.05014	2.1
123.04525	1.3
125.09743	3.9
130.08702	1.1
136.05219	1.1
140.01189	20.0
142.02751	1.9
146.08270	1.8
152.99576	8.3
153.01952	3.5
155.14351	1.3
163.11287	7.3
171.00662	1.8
181.12320	17.5
191.05629	4.5
196.03783	15.0
199.13420	12.3
207.10249	36.5
208.10529	2.2
214.04887	4.5
225.11316	41.8
226.11708	2.5
243.12363	54.8
244.12663	4.3
250.92303	1.2
277.12210	1.3
279.12421	2.4
377.18481	1.4
396.22025	1.2
440.16873	100.0
441.17426	15.6
441.23288	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	440.168
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.3
58.02972	2.0
59.01377	8.4
59.79333	1.2
61.98831	23.1
62.88533	1.3
69.65048	1.5
70.79794	4.2
71.01373	4.3
71.02462	2.3
71.05020	3.8
73.02940	2.7
78.95902	17.0
83.04986	1.4
85.02949	2.8
89.02429	2.2
90.16833	1.3
97.02957	6.5
97.06572	3.2
99.00879	18.4
101.02418	3.9
102.05603	1.5
109.01640	1.5
109.02959	1.8
109.06593	2.5
111.00903	6.6
113.02425	1.6
114.05589	9.7
115.08762	2.7
119.66541	1.3
123.08146	2.2
125.09727	6.3
127.11230	1.5
128.03558	8.2
129.10297	2.4
130.06181	2.9
130.08707	1.8
131.08287	16.8
140.01152	6.0
142.02704	1.7
145.03004	1.6
152.01094	2.3
152.99559	5.5
153.01904	1.6
163.11316	9.7
164.07086	2.0
166.08690	3.2
167.03455	4.5
173.10434	9.1
181.12328	22.4
191.05643	3.0
192.63741	1.4
196.03760	3.8
199.13434	12.5
200.17688	3.2
207.10243	46.9
208.10551	2.9
210.07713	2.0
214.04887	9.9
225.07962	1.9
225.11316	59.1
226.11620	5.1
227.14038	4.0
243.12363	100.0
244.12785	7.1
249.13428	4.7
276.02286	1.5
308.18002	1.7
311.14084	3.6
313.26126	4.5
326.17148	1.8
355.28271	1.4
377.18188	2.4
381.17621	3.3
399.25986	2.7
440.16907	78.4
440.24600	4.2
441.17630	10.5
441.28528	16.2
460.06134	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97255	6.3
59.01367	12.3
61.98822	15.6
62.64023	5.2
73.02948	8.2
79.27426	5.1
83.06224	5.0
98.20609	13.2
129.71272	5.7
132.71964	6.7
161.04544	17.6
162.83900	13.2
277.21707	100.0
278.22012	14.2
332.69992	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41526	2.0
53.11987	2.0
55.01857	2.5
57.03445	2.6
59.01376	33.5
61.98824	3.5
69.18757	22.6
71.01371	26.4
73.02934	7.5
74.27518	2.0
75.00873	4.7
85.02940	9.5
89.02429	7.4
95.01406	2.3
97.20761	2.2
101.02431	7.9
104.58619	2.1
113.02444	11.6
119.03487	2.2
189.19791	2.1
273.22223	3.6
277.21710	100.0
278.21973	10.0
291.23227	26.9
301.21866	4.2
303.22989	2.3
319.22751	15.4
331.22867	13.9
349.23633	2.5
385.73792	2.0
464.72290	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	439.27
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	4.8
59.01375	25.9
61.98821	3.9
71.01386	20.6
73.02944	6.0
75.00873	8.5
85.02979	6.9
89.02453	5.0
96.96062	2.9
101.02431	9.7
111.43683	3.1
113.02449	13.9
182.20462	3.2
192.35797	2.6
216.45291	2.7
273.22211	3.4
277.21704	100.0
278.22122	7.4
291.23392	17.2
301.21652	3.2
319.22833	17.7
331.22845	13.9
349.23730	4.4
361.12448	3.0
438.06522	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	438.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.7
61.98830	100.0
71.01394	2.6
71.20918	1.0
71.21261	1.0
83.63345	0.7
101.02427	1.4
111.04585	0.6
150.54404	0.7
151.11292	2.0
160.01668	1.1
169.12338	1.1
195.10271	2.7
213.11401	1.3
341.08185	1.3
351.15643	1.0
375.16727	0.9
406.82315	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.7
61.98811	0.6
65.76043	0.3
70.06301	1.5
71.01384	0.8
72.99299	0.5
78.95905	48.3
79.95735	0.4
82.69540	0.3
82.76507	0.3
85.02953	0.8
96.96041	18.4
96.96960	100.0
103.51023	0.3
103.66040	0.3
112.98784	0.8
115.00388	0.9
119.03454	0.4
129.01930	0.9
133.01416	0.4
142.99792	0.5
145.01422	0.7
151.97583	0.3
179.05525	0.3
217.39223	0.3
226.82838	0.3
263.05710	0.7
323.02957	0.3
325.10352	0.3
341.10913	0.7
364.26978	0.3
375.92169	0.3
380.02887	0.4
439.03271	0.4
439.08624	1.9
460.37070	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41787	1.0
58.63071	0.8
58.93769	0.9
59.01378	9.7
60.48379	1.0
61.85788	1.0
61.98829	100.0
67.01875	0.9
69.03436	1.5
71.01372	8.9
71.51808	2.0
72.99312	1.2
73.02953	1.8
76.29543	1.0
78.95902	1.7
79.36996	1.1
85.02945	3.3
87.00856	1.3
89.02437	7.1
90.02782	1.1
93.03439	1.3
95.05033	1.0
96.96010	4.0
100.04022	1.5
101.02435	6.3
113.02443	5.1
119.03501	1.8
120.01247	38.2
122.06079	2.1
124.04031	1.2
131.03473	1.3
134.06073	3.9
136.04056	9.3
136.07671	17.0
138.05586	1.1
143.48099	0.9
147.03479	1.0
149.04604	1.8
150.89342	1.1
159.05608	1.1
161.02423	1.1
161.04483	1.4
161.07164	1.4
162.05634	1.3
173.04500	2.1
179.05531	1.4
191.05617	3.1
212.10713	2.3
215.09445	1.1
226.07417	1.4
230.11775	5.4
234.83469	1.0
237.02122	1.2
237.56453	1.0
240.09029	3.0
247.11838	3.9
255.11366	31.9
255.14461	1.7
255.15054	1.6
256.11679	4.1
260.19540	1.2
268.13123	2.5
273.12421	23.0
274.12848	1.9
283.13226	1.1
298.15680	11.9
299.10385	5.9
299.15866	1.3
306.16425	2.3
317.11447	2.4
333.08966	2.5
342.14590	11.9
343.14685	2.1
379.15991	3.0
402.15033	1.2
438.20471	3.8
439.16119	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	438.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.6
60.01705	0.3
61.98827	100.0
69.45118	0.6
69.45519	1.8
71.01366	2.0
72.01742	0.5
73.02950	0.9
83.01411	0.4
89.02415	1.8
90.02822	0.5
101.02447	1.5
107.42503	0.4
113.02486	0.5
125.02415	0.4
131.03494	0.5
161.04636	0.6
191.05753	0.4
261.73438	0.3
287.14954	0.4
355.16858	0.3
438.20715	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69261	0.6
59.01374	3.0
61.98830	100.0
62.22388	0.7
62.29459	0.7
71.01368	1.2
71.51544	0.8
72.83427	0.6
72.99342	0.7
74.02478	0.9
75.00883	0.7
75.30164	0.7
78.95904	34.5
79.95745	0.7
81.12447	0.7
87.00840	0.7
96.96022	28.7
96.96978	66.5
99.00858	0.9
111.02027	2.9
129.01936	0.7
133.01453	1.0
135.04495	1.1
151.02634	2.2
169.00006	0.8
179.03583	1.3
180.41878	0.7
191.00635	1.5
200.11983	0.7
203.57111	0.7
216.79118	0.8
225.53708	0.7
341.57336	0.8
365.14685	1.0
377.52380	0.7
379.03870	1.6
395.15509	1.2
404.16095	1.0
438.08145	1.0
439.18573	0.7
455.57388	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.0
57.03446	1.1
58.00599	0.6
58.45312	0.5
59.01381	60.4
60.01706	0.8
61.98830	2.8
64.95419	0.5
67.01881	1.1
71.01382	14.2
72.99306	1.5
73.02943	5.4
83.01385	3.7
83.45119	0.5
85.02945	9.6
86.00097	0.7
87.00880	1.5
89.02450	2.1
95.01392	1.3
95.05788	0.5
97.03003	0.6
99.00887	2.6
101.02448	14.6
102.70341	0.5
102.77154	0.5
106.05902	0.4
111.00882	6.1
113.02461	6.4
119.03518	1.3
119.05028	4.9
125.02494	0.6
129.01942	0.5
156.06685	0.7
157.12312	0.9
159.02968	1.3
161.04553	2.1
163.03989	3.6
179.05637	0.5
187.07622	0.7
191.05557	1.2
215.07022	0.8
215.16502	1.7
257.08118	0.7
275.09253	1.0
341.10641	0.6
377.21832	9.3
378.21841	0.6
419.22952	5.8
420.23187	0.8
437.23889	100.0
438.18335	1.1
438.24228	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	437.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.7
55.80938	0.5
57.03438	2.2
58.00590	0.7
59.01379	33.9
59.81039	0.5
60.01694	1.1
61.98832	2.3
67.01887	1.4
67.83573	0.6
70.22213	2.3
71.01379	14.3
71.05017	1.1
72.99300	1.6
73.02952	5.3
75.00872	1.2
78.95905	2.2
83.01374	4.4
83.02198	0.5
85.02953	9.2
86.00107	1.2
87.00881	2.1
87.04522	0.7
89.02453	2.1
93.03436	0.7
95.01372	1.7
96.96012	1.3
97.02937	0.9
97.06564	1.0
99.00869	3.1
99.04528	0.7
101.02436	11.4
111.00876	18.6
113.02449	5.1
113.06073	1.6
114.53549	0.7
115.13813	0.6
119.03580	0.8
119.05027	13.0
121.73801	0.5
125.02474	0.7
125.09713	5.4
125.53883	0.7
129.01903	0.6
140.01222	0.7
157.12302	3.8
159.03009	1.0
161.04547	1.9
163.04007	14.0
164.04414	0.8
187.07658	2.1
187.09685	3.1
191.05605	1.9
196.03781	0.6
197.11818	2.2
200.04785	0.7
201.65385	0.6
213.05544	1.0
213.09192	1.5
215.07179	1.9
229.08600	0.6
231.02930	0.7
231.10162	1.5
241.10733	2.1
249.06181	0.7
255.15901	0.9
257.08102	3.4
257.17053	1.2
261.13202	0.7
275.09149	1.0
275.18527	4.2
301.32697	0.7
334.62955	0.6
350.22403	1.6
366.22034	1.3
366.27557	0.6
377.21814	1.4
394.21356	9.0
419.22836	11.4
420.23151	1.9
437.16922	5.6
437.23859	100.0
438.15475	3.1
438.24323	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	437.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
59.80819	0.6
60.01704	1.2
61.32791	0.7
61.90358	0.8
61.98821	2.0
63.11236	0.7
71.01383	2.2
74.75502	0.8
85.02973	1.0
87.04512	44.6
88.04907	1.0
101.02444	1.4
113.02457	0.8
118.25299	0.8
182.22211	0.7
244.79327	0.9
318.40286	0.9
338.34317	0.8
377.21637	1.0
437.25836	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67899	0.5
55.55803	0.5
59.01379	100.0
59.76317	0.6
60.01715	1.1
61.98833	0.7
64.51029	0.5
71.01382	2.8
73.02965	0.6
85.02979	1.8
87.04514	38.8
88.04881	1.1
89.02453	0.9
93.91042	0.5
98.20659	1.6
99.00888	0.5
101.02467	1.9
101.26784	0.5
109.61080	0.5
113.02440	1.1
121.72641	0.5
125.02551	0.9
129.42714	0.5
160.74496	0.6
173.32854	0.6
246.44363	0.6
301.96832	0.6
377.21872	0.7
432.54889	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.9
57.03449	1.8
58.00585	0.7
59.01382	26.8
61.98825	1.8
67.01897	6.3
71.01380	11.6
71.05020	1.3
71.54682	0.9
72.99309	1.8
73.02957	2.9
73.74210	0.6
78.95899	1.5
83.01385	2.3
85.02943	6.6
86.00092	0.8
87.00888	1.6
89.02449	4.6
93.03454	1.4
93.90221	0.6
95.01413	1.3
96.96017	1.1
97.19109	0.5
99.00882	1.3
99.69353	0.6
101.02440	10.4
111.00883	100.0
112.01219	2.9
113.02465	4.7
113.06085	1.6
114.05637	1.1
118.55988	0.5
119.05027	78.8
119.47114	0.7
120.05356	3.6
125.02468	0.7
127.11277	0.8
128.03680	0.7
129.01860	0.8
143.03482	1.1
157.12352	1.6
161.04604	1.8
163.04010	84.3
164.04384	4.7
173.04573	1.0
179.05586	1.5
187.07655	0.7
191.05566	2.0
197.11795	1.4
199.73096	0.6
231.10262	0.9
257.08301	1.6
257.17511	1.2
275.09503	0.8
275.18655	2.1
290.40295	0.7
298.75006	0.6
325.09192	4.4
341.10886	4.0
358.60754	0.7
377.21732	1.5
419.22729	6.6
437.23895	71.5
438.15439	0.9
438.24240	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	436.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58949	1.5
52.72905	1.3
53.46655	1.3
56.68155	1.4
57.49329	1.3
58.00745	1.6
59.01382	27.8
60.01702	2.3
61.01799	2.9
61.84874	1.5
61.98832	100.0
69.75401	7.9
71.01360	3.6
78.80238	1.4
80.86438	1.6
85.02950	3.3
96.96017	11.7
98.19974	2.0
101.02428	2.5
139.11293	2.5
155.10744	6.4
156.11101	4.4
160.01657	1.6
201.11324	2.6
376.23215	1.6
386.75870	1.6
436.19135	5.4
437.14627	1.9
437.19336	4.0
437.24005	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	436.182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90845	0.9
51.34489	1.1
59.01381	7.2
61.98830	100.0
71.01379	2.4
74.83495	1.3
82.63243	1.0
89.02462	1.6
132.02205	1.9
160.01677	2.2
190.15372	1.0
200.53337	1.1
209.11743	1.3
279.07092	1.3
340.07977	3.1
373.18524	8.9
437.23245	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	436.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41029	0.7
59.01379	8.3
60.01733	0.9
61.98831	100.0
66.93085	0.7
69.51817	4.9
71.01371	1.6
76.50276	0.7
83.74112	0.7
93.47600	0.7
100.03146	0.9
106.06608	0.9
108.15588	0.8
112.27655	0.8
120.01266	3.4
138.05621	1.6
156.25084	0.8
193.93353	0.8
199.13403	1.6
200.13779	2.6
216.14745	0.7
228.10350	3.0
237.24792	0.8
253.09851	1.6
271.10901	1.0
272.09296	2.3
315.09872	3.0
352.90710	0.8
394.21783	0.9
436.22974	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	435.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30326	1.6
51.45105	1.8
52.85101	1.7
56.34630	1.5
58.60098	1.8
59.01379	4.3
59.72710	1.7
61.98831	100.0
89.83572	2.1
99.51833	1.7
124.14614	1.7
152.88655	1.6
152.99692	2.2
177.75739	1.7
229.14041	2.0
244.42523	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	435.2236
Annotation	HC Toxin
Peak:m/z	Relative Intensity
52.38047	1.1
55.01876	1.4
57.03446	13.2
59.01379	83.0
61.98824	3.4
69.03468	1.4
71.01003	2.4
71.01384	33.0
72.99286	1.7
73.02958	6.3
74.02492	1.1
75.00861	2.3
83.01379	3.2
85.02949	14.7
85.06593	3.8
87.00892	1.6
88.04034	2.8
89.02452	21.2
93.03470	3.4
95.01398	2.7
97.02977	1.2
98.19885	4.7
99.00883	2.5
101.02447	17.0
101.39341	1.1
108.02168	3.1
109.02963	2.7
113.02438	9.9
115.04018	10.9
117.75648	1.3
119.03502	6.6
119.05045	2.0
128.03560	1.4
137.02451	2.1
142.95688	1.2
143.03470	1.3
152.01141	7.4
153.01918	2.2
153.12891	1.6
161.04547	2.6
167.90837	1.3
179.05627	2.2
182.24506	1.3
183.10236	1.6
183.13832	2.6
185.11850	1.5
191.05605	1.6
199.09836	3.6
237.15019	4.9
243.12425	5.9
255.16023	100.0
256.16364	9.4
273.17270	1.7
287.14960	1.6
346.05566	1.3
391.23398	1.5
412.70120	2.8
417.21329	2.6
435.09781	7.7
435.22470	82.0
436.22742	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	435.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.5
57.03437	2.8
58.00594	0.8
58.79568	0.9
59.01379	25.3
61.98829	7.8
66.61826	0.7
69.32296	7.3
71.01382	17.8
72.99306	1.6
73.02950	5.4
73.24494	0.8
75.00870	1.9
79.60464	0.7
83.01386	4.2
83.10944	0.8
85.02953	30.1
86.00065	0.9
86.92464	0.8
87.00867	1.8
89.02451	7.2
89.84779	0.7
91.20922	0.8
95.01381	1.8
98.20620	1.2
99.00851	2.8
100.38342	0.8
101.01801	1.0
101.02443	18.8
109.02970	0.9
111.00855	1.6
113.02457	10.4
120.20729	0.8
129.01901	1.8
137.09709	5.3
139.11330	1.4
143.03511	0.9
155.10777	100.0
156.11092	5.4
159.03021	1.1
161.04472	2.4
179.05637	1.4
181.08656	1.4
183.10178	1.5
185.11819	10.7
187.13354	0.9
199.09714	8.6
200.32161	0.8
227.12892	1.8
235.08287	1.4
243.12302	5.1
249.06204	1.8
253.09302	8.0
255.16072	1.4
287.14960	2.8
288.40079	0.8
334.46243	0.9
335.60104	0.8
349.18643	3.2
373.22382	1.3
403.55447	0.9
417.21436	2.2
418.21445	1.0
435.18378	40.4
435.22635	31.6
435.30847	1.3
436.18872	5.3
436.23343	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	434.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26523	1.2
59.01388	4.0
61.98830	100.0
107.17834	1.1
110.71495	1.2
143.04614	1.8
150.23424	1.1
184.89011	1.2
210.08855	1.5
250.46286	1.2
428.69370	1.3
434.20010	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	434.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	59.4
61.98832	100.0
66.90209	1.4
69.17042	9.1
69.17469	3.9
71.01377	6.6
73.02943	4.1
85.02966	4.2
89.02431	2.2
97.81652	1.2
98.20696	1.7
101.02443	5.4
113.02467	3.0
114.11648	1.3
128.87770	1.3
167.28308	1.2
178.81468	1.4
187.87389	1.1
213.11266	1.8
218.98724	1.2
286.70978	1.2
333.19116	2.5
375.20099	2.0
393.21060	2.5
417.21661	2.7
435.22351	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94201	2.0
57.03444	2.6
59.01382	38.3
60.01699	2.8
61.01795	2.6
61.98832	100.0
66.67979	1.9
70.95198	4.3
71.01379	9.1
76.13615	2.2
78.95903	3.0
85.02945	2.9
88.04050	2.1
89.02441	3.0
100.22181	2.1
101.02477	2.6
113.02493	2.8
115.00391	4.1
129.10355	4.7
130.60249	2.0
155.47337	2.1
156.95488	2.3
161.04588	2.1
171.11354	3.6
209.11783	6.8
214.87595	2.3
246.08231	2.7
282.07379	2.3
300.17114	2.8
318.18179	4.7
319.16605	6.3
344.27878	2.2
356.88730	2.1
433.69156	3.0
434.19608	7.2
434.25031	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	434.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39150	1.0
59.01109	1.9
59.01379	21.7
60.01709	2.5
61.98830	100.0
69.56039	5.9
71.01366	2.6
73.02911	1.2
77.73567	1.0
81.03457	3.4
83.01398	2.0
85.02943	2.0
85.96693	1.0
93.03455	2.1
101.02422	1.7
106.00008	1.1
113.02484	1.4
119.05017	2.6
123.04541	7.1
125.02423	3.4
159.62280	1.1
165.02046	1.1
166.02303	1.2
167.02165	1.5
167.03497	19.9
179.03558	2.0
191.05544	1.5
199.13422	1.3
212.13829	1.6
273.07642	29.3
384.01920	1.0
434.11655	2.4
435.22238	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	434.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19162	1.3
58.02979	8.5
59.01379	27.4
60.01712	2.5
61.98831	77.9
69.38807	6.1
69.39237	5.8
71.01381	43.4
71.02493	4.2
72.30585	1.2
84.19920	1.5
85.02936	2.0
86.49751	1.2
88.04041	41.8
91.05515	2.2
102.32159	1.4
110.03591	2.6
112.07663	2.5
115.00371	68.4
116.00700	2.8
116.05067	10.8
129.10344	90.5
130.10657	3.7
131.05090	1.5
132.03027	39.5
146.06117	19.0
147.04539	3.3
151.08774	3.8
152.04631	7.0
153.10316	2.9
154.08740	2.7
163.08717	2.4
164.07198	7.6
167.10687	2.2
171.11392	58.4
174.09238	2.2
200.07230	3.8
209.08260	3.9
209.11714	11.4
211.13330	5.0
212.13632	7.0
218.08182	2.3
227.12686	2.1
233.16527	4.4
235.10870	2.5
242.11798	11.4
243.12090	1.5
250.18979	1.6
258.16135	5.8
276.17157	7.8
300.17160	20.6
301.17825	2.3
304.62894	1.5
318.18216	70.1
319.16510	72.4
320.16953	7.4
374.22916	1.6
390.20309	21.4
391.20837	2.9
434.19336	100.0
435.19351	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	433.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.6
57.03438	1.0
59.01108	0.8
59.01383	11.2
59.45332	0.4
69.03447	0.8
69.46458	3.2
71.01385	10.6
72.99304	1.0
73.02945	3.1
75.22128	0.4
83.01388	3.5
85.02951	5.5
86.00095	0.4
87.00870	1.7
89.02451	1.4
90.91123	0.4
95.01384	0.7
96.85521	0.4
97.02937	0.6
99.00853	1.3
101.02445	6.0
108.14877	0.5
111.00876	1.9
113.02452	2.6
125.02446	0.6
129.02040	0.5
147.20743	0.4
173.29028	0.4
180.53587	0.4
225.22235	1.1
226.12979	0.5
253.21771	0.5
271.22772	23.4
271.91522	0.5
272.23102	1.9
415.27014	4.2
416.27676	0.5
433.28040	100.0
434.28363	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.5
57.03444	1.0
58.00597	0.6
59.01382	13.0
61.45328	0.4
61.98816	1.3
69.03446	1.0
71.01380	9.9
72.99305	0.9
73.02936	3.5
78.95882	0.4
79.30489	0.5
81.78697	0.4
83.01398	3.1
85.02953	4.7
86.00084	0.6
87.00861	1.4
89.02446	1.4
95.01395	1.0
97.02945	0.6
99.00880	1.7
101.02443	6.1
111.00851	1.3
113.02448	3.5
117.03443	0.8
119.05014	1.1
125.02407	0.6
141.01894	0.5
143.01270	0.4
145.02945	3.8
146.03293	1.7
152.99622	0.8
184.32771	0.4
225.22142	0.9
251.03412	0.5
253.21860	0.5
271.22778	20.5
272.23132	1.9
313.23849	0.7
411.52029	0.6
415.26959	4.4
433.28033	100.0
434.28348	13.9
434.34314	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.4
57.03445	1.2
58.00587	0.6
59.01382	10.9
69.58096	1.9
71.01381	11.1
72.99304	1.0
73.02948	3.4
83.01383	3.1
85.02954	5.2
86.00102	0.7
86.03196	0.3
87.00873	1.2
89.02435	1.7
91.64357	0.3
95.01382	1.2
97.02917	0.4
99.00883	1.0
99.08189	0.3
101.02440	6.6
111.00922	1.5
111.01573	0.3
112.01631	0.3
113.02441	2.8
119.03519	0.4
121.02953	0.6
125.02424	0.6
133.30064	0.3
135.84026	0.3
138.70900	0.3
155.14346	0.4
197.06053	0.4
225.22289	0.5
253.21637	1.7
269.21271	0.7
271.22769	26.8
272.23138	2.6
283.22827	0.3
285.24246	0.4
325.17703	0.3
339.28815	0.3
415.27087	2.2
433.28027	100.0
434.28384	14.3
434.34412	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60059	0.4
57.79725	0.4
59.01381	2.4
61.98827	1.3
62.73390	0.4
69.81657	0.4
78.95911	1.4
117.03468	15.7
118.03796	0.7
119.05028	26.5
120.05373	0.9
121.02980	1.2
145.02953	100.0
146.03291	5.2
147.61128	0.4
152.99583	1.7
163.04005	18.0
164.04343	0.5
174.58237	0.4
219.74442	0.4
241.09930	0.4
269.21228	1.8
285.99899	0.4
287.22263	7.8
288.22620	0.8
415.24832	0.9
433.25928	34.9
434.26288	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	433.2592
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
59.01374	1.4
61.08626	0.3
61.98827	1.2
69.67603	1.8
78.95905	0.9
85.31299	0.3
93.03476	0.4
117.03465	15.0
118.03753	0.8
119.05026	23.5
120.05349	1.0
121.02970	1.6
123.04527	0.3
145.02950	100.0
146.03284	5.2
148.87415	0.3
152.99593	1.3
163.04004	17.9
164.04361	0.8
194.76666	0.3
269.21143	1.7
287.22250	7.6
288.22516	0.7
371.26346	0.3
415.24826	0.7
433.25912	31.6
434.26236	5.4
435.45792	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29781	0.5
59.01381	100.0
60.01715	1.4
61.98829	8.7
65.00335	1.3
71.01390	4.9
73.02962	1.5
75.96564	0.5
83.01398	1.4
85.02942	2.3
86.18167	0.4
87.00891	0.6
89.02454	1.9
93.03452	0.8
101.02463	4.1
106.53423	0.5
107.01398	2.1
113.02460	2.7
119.03520	0.6
119.05022	4.9
125.02370	0.5
126.85821	0.5
145.02922	0.6
151.00368	8.3
161.04578	3.5
165.01947	0.6
169.01495	0.6
177.01962	0.9
191.05627	0.8
192.06006	0.5
194.00838	0.4
209.12001	0.5
255.19783	0.4
256.91565	0.5
269.14047	0.8
270.14264	0.8
271.06094	13.7
271.14682	0.8
272.06421	1.3
273.18698	0.5
301.16696	1.0
313.05762	0.6
373.22272	5.3
374.22787	0.8
433.11246	1.1
433.20132	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	433.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.4
57.03439	0.6
59.01381	100.0
60.01722	1.1
61.98839	1.2
70.07848	1.4
71.01381	5.2
71.08347	0.3
71.09558	0.3
73.02966	1.5
83.01424	0.5
85.02956	1.9
86.84118	0.3
87.00899	0.6
89.02444	3.0
89.84849	0.3
95.01383	0.4
98.20628	0.6
99.00884	0.4
101.02456	3.6
107.01376	0.5
110.34548	0.3
113.02473	2.4
119.03523	0.8
119.99654	0.3
120.01211	0.6
121.02967	0.5
130.39452	0.3
151.00412	1.3
153.09247	0.8
161.04558	2.7
163.00479	0.6
178.99942	0.6
179.05763	0.6
183.08743	0.4
183.10220	2.2
185.06012	0.4
191.05591	0.5
197.11804	0.4
227.03429	0.5
227.07224	1.1
235.13499	0.7
243.03038	1.8
253.05174	0.6
253.09210	0.4
253.14496	1.3
255.02968	3.0
271.02597	7.8
271.06155	1.4
272.03012	0.9
283.02585	0.4
300.02740	12.6
300.06024	0.7
301.03488	9.1
302.04071	1.0
313.12106	0.5
373.22345	2.7
374.22919	0.7
415.19901	0.8
433.07639	5.9
433.20255	2.1
434.08487	1.0
456.79465	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17237	0.5
57.03448	0.7
59.01381	100.0
60.01726	1.0
61.01808	0.6
61.98838	4.5
69.21034	0.4
70.16256	1.6
71.01377	7.9
72.99294	0.5
73.02938	3.0
83.01402	0.9
85.02953	3.2
89.02438	2.5
95.01399	0.8
99.00906	0.5
101.02439	5.1
107.01368	0.5
108.02209	0.5
109.02957	0.8
113.02463	2.8
115.04005	0.6
116.16156	0.5
119.03480	1.2
121.02978	0.9
137.72314	0.5
151.00372	3.5
161.04555	5.1
163.00386	1.1
165.01910	0.5
178.99831	2.2
185.06145	0.5
211.03885	0.5
226.02628	0.5
227.03450	1.1
243.02998	4.7
253.14471	0.7
254.02216	0.9
255.02965	6.3
256.03189	0.8
271.02487	20.8
271.19153	0.6
272.02820	2.2
297.25278	0.5
299.02139	0.6
300.02750	30.6
301.03482	19.4
301.06259	0.3
302.03873	1.5
373.22223	3.5
433.07739	16.6
433.20654	2.5
433.25079	1.7
434.07974	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	433.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71412	0.5
58.81855	0.5
59.01379	100.0
60.01717	1.6
61.98836	2.8
69.22083	3.2
69.22501	1.7
71.01379	9.6
72.99316	1.4
73.02959	1.5
83.01394	1.4
85.02943	2.8
89.02443	12.7
93.03460	1.1
95.01438	0.9
95.53645	0.5
99.00873	0.6
101.02441	7.2
113.02454	5.7
119.03494	6.8
131.03520	0.7
137.02498	0.9
143.03539	1.1
161.04575	2.6
174.49876	0.5
179.05658	1.9
197.11888	1.8
373.22244	3.7
374.22974	0.9
433.24332	7.5
434.24738	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69556	0.7
54.66180	0.6
55.74987	0.6
59.01380	100.0
60.01720	0.9
61.98832	5.8
69.31813	1.4
69.32205	5.2
71.01386	7.7
72.07029	0.6
72.99319	1.0
73.02960	3.0
81.03449	0.7
85.02953	2.8
89.02462	2.8
93.03468	0.9
95.01366	0.8
97.02951	0.9
99.00890	2.0
101.02456	5.9
111.00887	0.7
113.02441	3.5
119.03488	1.2
135.08218	0.9
143.45000	0.6
147.04582	0.7
154.82835	0.7
159.03029	1.4
161.04562	4.1
164.07207	0.6
181.12376	0.8
197.11906	1.5
197.38562	0.6
199.13405	1.3
207.10284	1.4
211.09764	0.9
225.11380	2.1
227.21008	0.6
243.12431	1.6
373.22308	11.4
374.22705	0.7
433.19400	1.7
433.24753	2.9
433.69156	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	433.2358
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
64.06485	0.3
78.95902	50.7
95.50983	0.3
95.51563	0.3
96.96957	6.3
98.20651	0.7
108.54953	0.3
113.11716	0.3
150.98062	1.9
151.14832	0.3
152.99582	100.0
153.99944	1.5
171.00636	4.4
172.00977	0.3
197.12489	0.3
279.23242	0.8
339.05411	0.3
408.59485	0.4
433.23553	6.0
434.23798	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86581	0.5
55.01872	0.5
57.03439	0.6
58.02967	2.0
59.01376	100.0
60.01713	1.7
61.98827	24.6
69.03446	0.5
69.53653	2.2
71.01378	16.9
71.02495	1.1
73.02952	1.7
73.76051	0.4
83.01398	0.8
85.02959	2.8
87.00884	0.7
88.04034	11.2
89.02443	2.6
95.01373	0.5
99.00854	1.4
99.04507	1.5
101.02434	4.0
110.03591	1.0
112.07679	0.9
113.02432	3.0
115.00368	15.1
116.05037	2.5
119.03535	0.8
119.04958	0.4
129.10336	22.0
132.03032	8.7
146.06081	4.8
147.04523	0.7
151.00331	0.7
151.08765	0.7
152.04626	1.4
153.10330	0.8
154.08698	0.9
156.08163	0.5
159.02994	0.4
161.04552	3.4
163.08855	0.4
163.11324	0.6
164.07127	2.5
167.10669	0.6
171.11395	14.0
191.05559	2.2
192.69545	0.4
197.11794	1.9
199.13428	0.7
200.07086	0.6
207.10220	0.7
209.08153	2.0
209.11714	2.6
211.13376	61.0
212.13669	4.2
219.13812	0.4
225.11380	1.0
225.14850	0.6
227.12689	0.7
233.16580	1.0
235.10939	0.7
241.13397	0.8
242.11833	2.6
243.12390	0.6
258.16077	1.5
259.09628	0.7
267.67535	0.5
271.06018	0.9
271.19177	2.3
276.17078	1.8
277.12143	0.5
287.07822	0.5
300.17142	5.5
301.15997	0.6
318.18198	16.9
319.16589	16.3
338.58832	0.5
373.18027	0.6
373.22244	4.5
374.22519	0.6
390.20251	4.0
433.19006	2.7
433.24319	4.2
433.69376	0.5
434.19244	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.0
57.03444	11.7
59.01379	38.6
60.30649	1.0
61.98829	11.4
67.01890	1.7
69.03452	1.4
71.01378	32.5
71.54097	0.9
72.33517	1.1
72.99297	6.4
73.02957	4.5
74.02484	1.1
75.00872	33.0
83.01387	3.1
85.02951	22.1
87.00883	10.0
88.04065	1.3
89.02437	13.5
93.03455	3.0
93.14888	1.0
95.01392	6.7
99.00887	9.6
101.02448	11.7
103.00374	2.1
111.00864	1.8
113.02448	30.1
114.02766	1.5
115.00372	2.4
117.01947	2.1
119.03493	3.4
123.08120	1.2
125.02402	1.2
125.06062	8.0
129.01910	2.3
129.10306	1.2
130.08699	1.1
135.08167	1.2
139.07648	1.7
159.03067	1.2
161.04539	3.4
164.07109	1.3
173.04527	3.0
173.50171	1.1
175.02472	1.9
183.10266	33.6
184.10658	1.7
191.05624	2.1
197.08253	1.3
207.04967	1.4
215.93622	1.0
231.05022	2.6
243.18289	1.6
249.06133	28.0
267.04321	1.5
267.07184	24.4
268.07538	1.5
271.18912	1.2
370.23602	1.5
418.67062	1.1
433.17044	100.0
433.24594	3.0
434.17166	10.8
434.25601	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	433.1138
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
57.03453	0.3
59.01378	10.3
59.73109	0.3
61.98829	8.0
63.02396	3.1
65.00320	6.9
71.01375	3.8
71.52985	0.3
72.99323	0.4
73.02949	0.5
75.37574	0.3
81.03474	0.3
81.70706	0.3
83.01381	4.9
84.50937	0.3
85.02942	1.9
87.00855	0.4
89.02437	2.8
93.03452	7.9
94.03832	0.3
95.01396	0.3
97.02949	0.3
101.02432	2.9
102.65379	0.3
107.01388	13.2
109.01662	0.3
113.02453	1.6
115.08791	0.5
118.58398	0.3
119.05022	39.8
120.05338	1.6
121.02960	0.5
123.00872	0.3
125.02428	1.3
137.02451	0.5
143.04977	0.4
145.02956	0.7
151.00357	45.8
152.00716	1.7
161.04584	0.5
164.01144	0.7
165.01921	1.8
169.01410	0.9
173.04550	0.4
175.00354	2.1
177.01912	5.0
185.06148	0.7
187.03920	0.6
191.03946	0.6
191.05589	5.0
191.07201	0.5
193.01396	0.7
195.99988	0.4
197.11716	0.8
205.01331	0.3
213.08018	0.3
215.10840	0.3
227.07092	1.0
227.16438	0.4
253.14447	0.4
255.99266	0.3
259.09708	0.8
268.03680	0.5
269.04297	0.8
270.04388	1.3
271.06091	100.0
272.06424	9.4
287.14969	1.2
295.06036	1.4
313.07214	2.1
340.58493	0.3
433.10571	2.2
433.20612	2.4
433.24777	1.8
434.11304	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1137
Annotation	2',4',6',beta-Tetrahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
50.62535	1.1
53.50112	0.9
57.03452	1.4
59.01380	74.6
59.98135	1.0
61.98831	8.6
65.00323	4.2
69.03455	2.1
70.08519	3.6
71.01378	20.4
72.99317	1.6
73.02943	3.8
75.00869	2.8
79.01854	1.3
81.03452	2.7
83.01400	6.8
85.02938	9.9
87.00884	2.6
89.02448	14.4
91.76040	1.1
93.03462	6.9
95.01395	3.6
97.02960	5.8
98.20686	1.3
99.00878	2.2
99.04559	1.0
101.02433	13.1
105.03465	1.9
107.01394	4.3
107.05022	1.4
109.02914	1.8
111.08145	1.4
113.02450	10.8
116.07155	1.1
119.03651	6.3
119.05029	38.2
120.05368	1.5
121.02976	6.9
121.10130	1.2
123.00844	2.0
123.04527	1.4
125.02455	14.5
135.04520	1.9
135.08128	2.2
137.02441	4.5
143.03529	2.1
143.04895	2.5
145.02953	3.5
149.02441	5.2
151.00356	15.5
151.02220	1.2
153.09210	33.9
154.09538	2.2
155.03481	1.3
159.03012	1.4
161.04546	3.8
161.05952	1.9
163.00328	5.5
164.01082	1.7
165.01929	9.4
167.03467	2.5
167.04774	1.2
177.01871	3.3
183.10263	2.6
185.06073	2.1
186.53586	1.2
187.03981	3.0
191.03714	1.2
191.05571	3.8
193.01422	25.8
194.01773	1.3
197.08394	1.3
197.11826	1.5
197.28844	1.0
205.01523	1.7
219.02890	2.2
223.02434	2.2
227.07077	2.5
235.13307	1.1
253.09187	6.4
253.14439	3.0
267.07196	4.7
269.08221	1.9
271.06140	16.3
283.06213	3.0
297.07434	1.2
313.07166	100.0
314.07559	8.3
325.07257	2.1
337.73654	1.2
343.08221	22.8
344.08478	2.7
415.10498	2.2
420.12814	1.1
432.23471	1.7
433.12189	15.3
433.16409	5.9
433.21292	18.5
434.11761	2.1
434.21344	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	433.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62535	1.1
53.50112	0.9
57.03452	1.4
59.01380	74.6
59.98135	1.0
61.98831	8.6
65.00323	4.2
69.03455	2.1
70.08519	3.6
71.01378	20.4
72.99317	1.6
73.02943	3.8
75.00869	2.8
79.01854	1.3
81.03452	2.7
83.01400	6.8
85.02938	9.9
87.00884	2.6
89.02448	14.4
91.76040	1.1
93.03462	6.9
95.01395	3.6
97.02960	5.8
98.20686	1.3
99.00878	2.2
99.04559	1.0
101.02433	13.1
105.03465	1.9
107.01394	4.3
107.05022	1.4
109.02914	1.8
111.08145	1.4
113.02450	10.8
116.07155	1.1
119.03651	6.3
119.05029	38.2
120.05368	1.5
121.02976	6.9
121.10130	1.2
123.00844	2.0
123.04527	1.4
125.02455	14.5
135.04520	1.9
135.08128	2.2
137.02441	4.5
143.03529	2.1
143.04895	2.5
145.02953	3.5
149.02441	5.2
151.00356	15.5
151.02220	1.2
153.09210	33.9
154.09538	2.2
155.03481	1.3
159.03012	1.4
161.04546	3.8
161.05952	1.9
163.00328	5.5
164.01082	1.7
165.01929	9.4
167.03467	2.5
167.04774	1.2
177.01871	3.3
183.10263	2.6
185.06073	2.1
186.53586	1.2
187.03981	3.0
191.03714	1.2
191.05571	3.8
193.01422	25.8
194.01773	1.3
197.08394	1.3
197.11826	1.5
197.28844	1.0
205.01523	1.7
219.02890	2.2
223.02434	2.2
227.07077	2.5
235.13307	1.1
253.09187	6.4
253.14439	3.0
267.07196	4.7
269.08221	1.9
271.06140	16.3
283.06213	3.0
297.07434	1.2
313.07166	100.0
314.07559	8.3
325.07257	2.1
337.73654	1.2
343.08221	22.8
344.08478	2.7
415.10498	2.2
420.12814	1.1
432.23471	1.7
433.12189	15.3
433.16409	5.9
433.21292	18.5
434.11761	2.1
434.21344	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	432.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51637	1.4
59.01379	65.4
61.98830	85.9
70.17339	2.7
70.17749	3.5
71.01376	18.0
73.02945	2.7
74.06973	1.4
83.01386	1.6
85.02943	4.4
87.00896	1.7
89.02436	15.0
101.02452	10.2
113.02427	6.2
119.03504	5.7
139.83250	1.5
143.03543	1.8
151.00420	1.9
161.04570	3.4
171.94379	1.7
179.05588	2.2
195.81964	1.4
212.04419	3.1
240.04103	3.5
241.04602	4.8
241.71661	1.5
268.03726	42.0
269.04123	100.0
270.04800	24.7
270.14212	2.2
271.04938	1.9
303.41306	1.5
373.22443	4.4
432.10144	91.8
433.10611	10.6
433.20047	3.1
433.24539	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	432.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12075	0.6
56.65373	0.6
56.67075	0.8
57.03451	1.3
59.01380	100.0
60.01712	10.8
61.01809	1.4
61.82195	0.6
61.98829	17.1
69.03437	0.6
71.01383	9.7
71.54517	0.8
72.01722	1.4
72.99332	0.9
73.02962	2.4
83.01386	1.3
85.02955	3.4
87.00862	0.7
89.02444	4.9
93.03461	1.5
95.01395	0.8
99.00892	1.2
101.02450	6.5
102.02780	1.3
107.01372	0.7
107.12139	0.6
113.02454	4.1
114.02772	1.1
119.03519	2.2
119.05026	2.1
125.02455	0.8
143.03477	0.7
150.02139	0.7
151.00389	2.5
159.03029	0.6
161.04575	5.1
162.04910	1.7
173.04503	0.9
179.05635	0.9
191.05615	10.7
196.10617	1.2
197.11700	0.8
210.12224	1.0
210.15746	0.7
240.95396	0.7
259.09732	1.0
268.03915	0.7
269.04269	0.7
269.14063	1.5
270.14203	3.1
271.06113	5.0
276.58496	0.6
356.56598	0.7
372.21014	2.9
433.15018	1.8
433.20447	1.0
437.73727	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70633	0.4
55.37658	0.4
59.01373	1.3
61.98830	100.0
71.00464	0.4
71.00797	0.6
73.02911	0.4
76.66611	0.3
89.02419	0.4
112.04272	0.4
121.61861	0.3
128.03564	0.6
129.10374	0.9
131.02046	0.6
145.09834	0.8
150.90353	0.4
156.99930	1.5
158.13037	0.7
174.96574	0.3
242.88470	0.3
247.82538	0.4
314.96213	0.7
328.23303	0.4
372.22681	0.8
402.23624	0.9
431.99451	0.4
432.25311	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59167	0.3
55.62990	0.3
59.01381	2.5
59.39116	0.3
69.32644	2.2
78.95902	3.3
93.03471	0.3
96.96957	0.4
97.06613	0.3
117.03465	17.8
118.03806	1.0
119.05027	28.6
119.79314	0.3
120.05360	0.9
121.02954	1.9
123.04520	0.5
133.02939	0.6
145.02954	100.0
146.03291	4.5
149.60240	0.3
152.99583	4.7
163.04015	20.4
164.04359	0.8
167.47197	0.3
249.18759	0.5
267.19662	1.6
285.20728	7.2
286.21017	0.9
307.35312	0.3
397.58722	0.3
410.01083	0.3
431.24359	26.0
432.24731	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	431.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74279	0.4
59.01381	6.3
61.98824	0.6
62.60102	0.3
71.01375	0.7
71.41547	0.4
71.41903	0.5
75.09691	0.3
78.95905	4.0
80.48881	0.3
93.03493	0.4
95.28620	0.3
96.96953	0.3
117.03461	18.2
118.03692	0.6
119.05025	25.9
120.05392	1.1
121.02945	1.3
123.04547	0.4
133.02925	0.4
145.02951	100.0
146.03290	5.0
152.99574	4.8
163.04007	19.6
164.04329	1.0
191.18535	0.3
217.44350	0.3
238.32379	0.3
249.18489	1.6
250.37578	0.4
253.39658	0.4
267.19687	1.2
285.20712	8.3
286.21149	0.5
320.21249	0.3
371.21054	0.5
413.23193	0.5
431.24371	22.1
432.24750	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01710	0.9
64.71519	0.4
69.53810	2.8
71.01381	5.5
73.02939	0.8
77.73954	0.4
85.02968	1.7
87.00919	0.7
89.02444	4.7
92.63953	0.5
93.03478	0.8
95.01411	0.8
98.19898	0.9
101.02434	3.9
102.97223	0.4
113.02463	2.9
119.03515	3.1
161.04591	1.9
173.04630	0.7
179.05670	1.5
185.78632	0.5
189.00183	0.5
191.05704	1.5
241.01564	1.1
270.01755	0.7
431.23264	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	431.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72898	0.4
52.47124	0.3
57.00741	0.4
57.03441	0.4
59.01379	100.0
60.01717	1.6
61.98824	0.6
68.63792	0.3
69.83906	0.7
69.84261	1.8
71.01382	6.6
72.32099	0.3
72.99316	0.6
73.02946	1.1
83.01381	0.6
85.02951	2.2
87.00927	0.4
89.02445	7.3
93.03468	0.6
95.01385	0.5
98.20605	0.5
99.00878	0.5
101.02447	4.0
102.12037	0.4
113.02451	2.6
119.03493	3.1
129.74321	0.4
130.06267	0.4
131.03503	0.4
143.03555	0.9
143.04614	0.5
161.04529	2.5
179.05646	1.6
269.04596	0.8
324.22723	0.4
345.40918	0.4
348.81830	0.4
371.20810	0.9
431.23199	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01718	0.7
61.98819	0.6
62.37107	0.5
70.21252	1.8
70.21593	0.6
71.01373	7.1
85.02953	1.4
89.02442	11.5
98.20049	0.7
98.47857	0.5
101.02459	5.5
113.02426	2.4
115.00480	0.5
119.03492	5.0
131.03584	1.1
143.03574	0.7
146.67363	0.5
160.03532	0.5
161.04637	1.8
179.05630	1.8
207.13924	1.1
266.11441	0.5
371.20789	0.6
431.23370	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.4
58.65594	0.4
59.01379	100.0
60.01720	1.4
70.77627	1.1
71.01385	6.1
73.02949	2.0
74.29389	0.4
83.01409	0.6
83.25069	0.4
85.02952	2.7
85.16297	0.3
87.40915	0.3
89.02464	2.3
95.01410	0.6
99.00916	0.8
101.02448	4.1
113.02438	2.3
115.83592	0.3
119.03484	0.7
143.03511	0.4
143.22156	0.4
151.03145	0.4
159.03014	0.6
161.04558	5.7
173.04576	0.4
269.13913	2.2
270.14447	0.4
355.48001	0.4
371.20682	5.0
372.21313	0.7
431.23105	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.22
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
71.21854	0.5
78.95902	56.1
96.96961	6.9
131.78374	0.3
150.98035	1.6
152.99580	100.0
153.99913	1.6
171.00650	4.6
277.21732	0.5
356.23846	0.3
401.35538	0.3
431.21936	4.7
432.22217	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75255	0.7
54.09703	0.8
55.01872	1.2
57.03451	3.1
58.00592	4.9
59.01378	100.0
60.01721	1.6
60.99305	0.7
61.98822	3.7
69.03449	0.8
71.01379	74.3
71.52692	1.0
72.01736	1.8
72.99306	6.1
73.02950	11.3
73.04070	1.0
74.02483	3.3
75.00887	1.1
75.07800	0.7
81.39416	0.6
83.01379	5.5
84.02240	0.8
85.02948	19.1
87.00876	4.6
88.04037	1.9
88.98806	1.3
89.02444	69.7
90.02784	1.4
93.03465	2.1
93.05391	1.0
95.01368	4.2
97.02957	1.4
99.00861	4.2
101.02442	51.3
102.02792	1.2
107.05029	0.7
111.00838	0.8
113.02450	32.4
113.06101	1.0
116.07175	1.3
119.03499	31.4
120.31371	0.6
125.02476	0.9
125.09745	0.8
129.01953	1.1
129.06662	0.7
129.10341	4.4
130.08760	2.8
131.03500	3.7
135.04651	0.7
136.04086	1.6
137.02487	0.7
139.08813	0.8
141.10291	1.0
143.03496	7.7
143.11903	2.0
149.04575	2.1
155.10773	1.3
159.02972	2.7
161.04546	18.5
162.04916	1.1
169.09824	1.1
173.04530	2.6
177.12798	1.3
179.05606	22.9
180.05925	1.0
181.08644	0.8
186.12479	2.4
187.10878	1.9
191.05598	1.5
195.10252	6.5
195.13753	1.0
196.39511	0.7
196.83208	0.7
200.14148	0.9
231.13843	0.7
251.16611	1.6
267.16028	1.0
269.04434	1.2
269.17584	23.4
270.17953	2.1
299.11377	3.2
313.22528	0.7
357.21429	1.5
387.22418	2.6
396.17740	0.9
431.22910	58.9
432.23428	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	431.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58275	1.3
57.36487	1.4
59.01379	5.5
61.98829	80.8
62.82390	1.2
64.17116	1.2
70.02988	4.6
70.38812	1.3
71.01384	4.0
71.23281	2.1
72.00904	5.0
74.02472	20.7
81.02197	4.8
82.01719	2.9
82.02981	11.8
86.02483	2.8
88.98795	2.9
89.02425	1.6
96.00900	10.6
97.04046	2.1
98.02490	8.4
100.00407	1.7
104.03539	25.1
109.01688	16.4
109.04028	1.3
110.02474	3.4
112.04032	2.6
114.01933	1.6
115.08771	58.5
116.07069	1.5
119.02472	2.0
122.09759	2.0
124.04014	2.8
125.07195	1.6
128.03555	3.8
129.10329	1.9
130.08731	7.1
137.02414	2.3
138.09259	6.7
139.08771	57.6
139.09837	3.3
140.07126	2.5
140.09134	2.6
140.10803	1.8
141.10306	2.2
143.11916	1.6
148.02794	15.3
154.08736	3.4
155.11909	4.2
165.10289	2.8
166.07381	3.1
166.08722	42.2
167.09045	2.2
169.09816	10.2
177.10278	3.7
179.11981	9.7
181.09828	2.3
187.10835	5.4
191.11897	5.0
194.08199	4.0
197.12909	3.7
199.10841	2.2
205.09818	26.2
209.12918	14.7
210.07736	7.9
212.10403	5.2
217.11891	3.4
220.08601	2.5
223.10808	8.0
235.10788	8.9
253.11914	11.2
267.09860	24.6
268.10077	2.4
279.09784	1.7
297.10904	60.2
298.11081	3.5
298.14197	2.8
315.11819	3.2
326.17242	6.6
351.20288	2.5
358.64032	1.5
369.21381	2.5
383.19476	7.4
387.18491	2.2
396.17868	2.3
413.20410	100.0
414.20776	13.4
431.21466	41.3
432.21545	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	431.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	13.3
61.98830	42.8
62.58000	1.6
63.00623	1.7
66.91930	1.7
71.01384	30.6
71.53756	2.7
73.04070	3.4
74.02470	5.3
82.02946	1.5
83.02515	3.7
84.00905	2.6
88.04039	33.0
88.98795	7.4
89.02418	3.1
95.02521	2.6
96.00896	4.9
98.02465	6.0
101.02440	3.9
104.03535	2.6
110.02505	2.5
112.04071	2.2
113.02399	2.2
115.00376	34.9
115.08757	23.3
116.07187	8.2
128.03531	4.3
129.10339	30.9
130.08746	16.6
132.03018	26.9
137.07182	11.3
138.09233	5.6
139.08832	2.5
140.17102	1.8
141.10327	3.7
143.11890	4.3
154.09871	22.9
155.08299	3.0
155.10117	1.7
167.04488	2.5
167.10545	2.2
169.09827	12.3
172.10895	2.9
181.09798	6.5
184.07280	2.5
186.12418	5.1
187.10886	8.2
193.13438	3.0
200.14345	2.1
210.16080	3.7
211.14592	2.4
223.10800	4.9
224.12712	5.1
228.17162	2.0
242.18800	3.7
254.18428	2.2
267.09857	21.6
267.18240	70.6
268.18506	5.4
273.91672	1.8
279.09796	3.7
285.16412	3.2
285.19299	37.5
286.17441	9.4
297.10916	15.7
297.19382	2.6
304.20065	2.0
315.20340	29.6
316.18668	26.3
317.18893	2.0
343.20294	2.7
357.21472	10.0
367.26440	2.1
369.17688	4.7
369.21735	2.0
383.19254	8.1
387.22382	6.1
413.20456	20.5
431.21384	100.0
432.21866	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	431.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	3.7
59.01380	70.8
60.01723	1.2
70.75546	2.5
71.01392	8.5
73.02929	2.9
74.96596	0.9
83.01402	2.2
83.05022	1.6
85.02946	4.2
87.00877	2.6
89.02427	4.1
95.01387	1.6
99.04516	1.0
101.02444	7.2
113.02455	6.2
115.92008	0.8
161.04523	3.2
165.12834	12.1
204.58504	0.9
207.13881	4.4
209.11865	16.9
225.14922	2.6
251.12817	2.8
269.13943	100.0
270.14279	9.0
311.14960	6.6
360.19009	1.0
371.20877	7.0
431.19009	3.8
447.04910	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88609	0.4
58.00600	0.6
59.01381	100.0
60.01715	1.7
61.98838	1.2
71.01382	8.2
71.39999	1.0
71.62431	0.5
72.99304	0.5
73.02966	0.7
81.67551	0.5
83.01437	0.6
85.02943	2.1
87.00888	1.0
89.02449	9.6
93.03467	0.6
95.01393	0.5
101.02451	4.6
111.04533	0.7
113.02466	3.1
119.03507	3.8
119.91963	0.5
122.63473	0.4
131.03513	0.7
143.03484	0.7
147.11838	2.7
149.04578	0.5
161.04613	1.3
179.05653	1.8
193.12331	0.5
195.10258	1.0
226.14575	1.8
269.13965	1.0
269.17474	0.5
371.17297	1.9
419.32083	0.5
431.23120	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	431.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	3.7
59.01380	70.8
60.01723	1.2
70.75546	2.5
71.01392	8.5
73.02929	2.9
74.96596	0.9
83.01402	2.2
83.05022	1.6
85.02946	4.2
87.00877	2.6
89.02427	4.1
95.01387	1.6
99.04516	1.0
101.02444	7.2
113.02455	6.2
115.92008	0.8
161.04523	3.2
165.12834	12.1
204.58504	0.9
207.13881	4.4
209.11865	16.9
225.14922	2.6
251.12817	2.8
269.13943	100.0
270.14279	9.0
311.14960	6.6
360.19009	1.0
371.20877	7.0
431.19009	3.8
447.04910	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94258	0.8
57.03450	2.1
59.01382	100.0
60.01708	4.2
61.01789	2.5
61.98532	1.8
61.98832	20.9
65.04018	0.9
69.42117	6.9
71.01385	11.4
73.02950	3.6
73.68425	1.1
80.96502	1.2
82.61738	1.0
83.01391	3.7
85.02948	5.6
87.00891	1.5
88.98800	1.2
89.02457	5.6
92.11391	0.9
93.03462	1.6
99.04520	3.0
101.02457	6.5
109.06602	1.2
113.02462	5.9
119.03475	2.3
130.58107	0.9
161.04541	4.0
165.12794	4.1
173.04576	0.9
179.05634	1.2
190.32616	1.2
207.13914	10.0
208.14180	2.0
209.11816	13.3
210.12079	1.2
225.14888	3.3
251.12958	5.8
268.03958	1.1
269.13940	87.6
270.14337	7.9
293.13904	1.4
308.75851	0.9
311.14917	2.2
318.62000	1.1
371.16772	1.3
431.18420	2.0
431.23193	2.1
458.41925	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74114	0.3
59.01379	5.3
61.98829	100.0
62.98547	0.4
67.76794	0.3
68.32832	0.3
70.02962	0.4
71.01389	1.7
71.52179	0.5
74.02486	1.0
74.86890	0.3
82.03000	0.6
83.02505	0.4
84.00942	0.4
88.04050	1.5
88.98806	1.2
89.02461	1.0
93.03497	0.5
93.37659	0.3
93.59315	0.4
96.00946	1.2
98.02499	0.5
101.02467	1.0
110.02491	0.4
113.02435	0.5
115.00387	1.3
115.08769	2.2
127.05133	0.5
128.03545	1.7
129.10370	1.2
129.87968	0.3
130.08742	2.4
132.03081	0.6
137.02493	0.8
138.09261	1.0
139.08798	0.9
141.10370	0.5
143.11871	0.4
145.06252	0.7
154.09908	1.1
155.08253	0.8
161.04655	0.4
166.08786	0.7
169.09805	0.6
172.10918	0.6
179.11928	0.4
181.09836	0.6
184.07224	0.5
191.05647	0.6
205.09822	0.5
210.07791	0.4
217.42487	0.3
223.10934	0.5
239.00050	0.5
241.12019	0.6
267.09851	2.7
267.18225	1.9
285.19406	1.3
297.10959	2.3
315.20523	0.6
316.18878	0.9
369.17941	0.9
383.19489	1.2
387.18958	0.9
396.18042	0.4
401.53745	0.4
408.15787	0.3
413.20419	4.5
414.20087	0.4
425.72061	0.3
431.21429	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	431.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.2
61.98829	100.0
70.02976	0.6
70.52531	0.6
70.52882	1.1
71.01405	0.4
72.00936	0.3
74.02479	1.6
81.02236	0.5
82.02991	0.8
88.98808	0.8
89.02474	0.6
96.00943	0.9
98.02466	0.7
104.03539	2.2
109.01707	1.2
112.02827	0.4
115.08776	5.4
129.10359	0.7
130.08760	0.7
137.02544	0.4
139.08749	4.7
148.02782	0.8
166.08739	2.4
169.09785	0.5
172.65805	0.4
177.10374	0.5
179.11874	0.5
205.09892	1.2
209.13019	0.9
210.07813	0.6
212.10432	0.4
223.10933	0.5
228.07735	0.4
253.12105	0.9
267.09818	1.8
283.09158	0.5
297.10928	3.6
298.14130	0.5
326.17264	0.7
343.19809	0.6
345.34042	0.4
383.19485	0.8
413.20441	8.9
414.20981	0.5
431.21396	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	431.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18176	1.2
59.01376	3.4
60.49767	1.3
60.99309	12.7
61.98827	6.1
64.87906	1.4
68.96295	1.3
71.01384	2.5
71.53111	1.7
75.09597	1.5
85.02940	4.4
87.00875	5.0
88.98808	100.0
89.02426	6.4
89.99163	2.0
93.03448	1.2
96.00924	2.3
98.21911	1.4
98.76825	1.3
111.00899	2.4
113.03535	2.5
115.00350	1.8
115.08759	2.6
124.03957	1.5
128.03537	3.1
129.01930	4.3
130.08730	5.7
133.01418	2.9
139.08743	2.1
141.06671	1.6
158.95313	1.6
167.04651	2.0
191.05544	1.7
197.12975	1.7
254.14941	1.3
267.09818	3.8
281.11035	1.3
297.10934	2.2
298.14151	3.5
302.99490	2.0
318.25000	1.6
318.97064	1.9
341.11124	1.6
413.20572	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	431.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	9.4
60.01729	0.4
61.98835	2.4
63.02402	1.0
65.00330	0.6
69.98454	1.5
71.01382	1.9
73.02955	0.5
83.01386	0.9
83.79604	0.4
85.02966	0.4
89.02451	0.8
98.19918	0.4
101.02469	1.6
101.89470	0.4
101.90256	0.3
107.01382	2.2
113.02468	0.6
117.03455	1.8
130.08716	0.3
134.23759	0.3
148.01642	0.8
149.02437	1.0
149.99586	0.8
151.00360	3.9
165.12894	0.4
171.04492	0.9
172.05296	1.1
173.04573	0.5
182.21950	0.4
183.04512	0.4
184.05362	0.5
187.07690	0.4
191.57660	0.3
192.48264	0.4
196.05243	0.7
199.04005	0.5
199.84346	0.3
200.04778	0.8
201.05536	0.6
209.11813	0.4
211.03972	1.3
212.04697	0.9
214.97195	0.3
215.07167	0.6
225.05501	0.5
231.10336	0.6
239.03528	3.4
240.04242	3.9
241.04808	0.5
251.12863	0.7
267.02994	1.6
268.03757	100.0
269.04443	32.3
269.13965	2.5
269.16711	0.4
270.04916	1.9
283.06058	0.6
311.05576	1.0
323.14948	0.5
324.59125	0.4
388.03049	0.4
431.09818	73.8
432.10138	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	430.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47013	0.4
59.01374	4.6
61.98830	100.0
62.98532	0.4
67.84410	0.5
69.31597	1.3
69.32005	2.6
71.01372	2.4
73.02953	0.5
74.02473	2.3
78.95943	0.4
82.03041	0.4
83.02504	2.4
84.00927	1.1
85.02953	0.5
87.05647	0.7
88.04056	2.2
88.98819	1.0
89.02444	1.2
93.03488	0.9
96.00937	2.1
98.02482	2.1
101.02466	1.7
102.05579	1.1
104.03553	0.8
110.02475	1.2
113.85805	0.5
115.00372	1.2
115.08768	7.2
127.05143	0.7
128.03555	4.0
129.03877	0.5
129.10350	2.1
130.08733	6.9
132.03091	0.7
137.02452	1.0
138.09270	2.0
141.10397	0.5
143.11986	0.6
145.06158	0.5
146.04553	0.6
151.78503	0.5
154.09906	0.8
155.08269	1.1
160.54095	0.5
166.08766	0.7
169.09814	2.7
181.09853	1.7
187.10849	0.9
191.05594	0.7
191.94702	0.4
194.58151	0.4
205.09827	0.7
206.02812	0.5
223.10875	1.8
254.18942	0.5
267.09851	10.1
267.18250	2.4
267.50214	0.4
269.18665	0.5
279.09903	0.7
285.19418	1.0
297.10931	5.8
315.20453	0.7
316.18951	0.8
343.19897	1.0
383.19293	3.0
387.22528	1.4
396.17728	0.5
400.22430	0.8
412.22766	0.6
413.20450	7.4
429.23657	0.7
430.23788	4.7
431.20856	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	430.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
57.03456	1.1
58.00596	0.8
59.01381	18.2
61.98831	100.0
65.82526	0.5
69.03484	0.6
69.55209	4.2
71.01382	19.3
73.02953	4.7
73.04066	1.0
74.02473	2.3
74.95538	0.5
75.00874	1.0
83.01402	1.6
85.02950	6.4
87.00867	2.1
87.05687	0.6
88.98837	0.8
89.02441	8.3
93.03458	0.6
95.01381	1.5
96.00930	0.6
96.96040	0.6
99.00889	1.5
101.02447	12.4
108.04588	1.5
111.62871	0.6
113.02444	7.3
115.00440	0.6
115.08774	1.0
116.07208	1.3
119.03503	2.6
119.95187	0.6
125.02571	0.6
128.03564	2.5
129.10367	0.8
130.08754	1.6
131.07190	0.7
136.04033	0.7
137.09784	0.8
143.03482	1.1
143.11906	1.4
143.25108	0.6
155.08162	0.7
159.02989	1.7
161.04565	10.1
169.09842	0.8
172.10901	1.0
179.05624	0.7
185.05664	0.8
186.06126	0.6
187.10910	0.7
191.05746	0.6
192.10710	0.8
194.05666	0.6
200.14154	0.5
251.16519	0.9
258.43973	0.7
269.17645	0.8
337.79184	0.6
386.24863	1.0
400.22275	1.1
401.23901	0.7
430.23297	6.8
431.23364	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	429.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74784	0.7
56.57739	1.0
59.01378	100.0
59.08881	0.8
60.01688	1.3
64.65098	0.8
70.97245	2.0
71.01379	0.9
78.84111	0.8
78.95920	1.0
79.51381	0.8
88.11329	0.8
113.31848	0.8
127.13352	0.9
171.72842	0.9
201.35760	0.8
277.21735	1.4
295.22897	8.0
375.52518	0.9
384.63260	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01707	1.4
61.98825	2.5
63.19967	0.9
66.84888	0.9
67.55633	0.8
71.01379	0.9
71.18407	0.8
71.51958	1.5
91.04000	2.3
95.81076	0.8
96.96011	0.8
99.92574	1.0
116.92849	1.0
117.03384	1.0
118.89938	0.8
145.02829	1.4
177.86304	0.8
186.19067	0.9
186.91212	0.9
195.13889	0.9
200.01210	0.8
267.15939	1.4
277.21872	1.1
295.22772	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	429.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44948	1.2
57.10765	1.4
59.01383	100.0
61.98822	1.9
63.22242	1.3
69.20164	2.4
69.20567	11.1
74.09276	1.2
78.95908	13.5
89.02425	1.6
96.96011	4.5
98.70233	1.2
123.96647	1.3
152.99606	13.9
171.00577	3.8
267.16132	1.4
277.21719	2.6
283.51233	1.3
295.22754	5.9
296.23193	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.249
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25862	0.9
55.01886	1.9
57.03440	2.1
58.00597	4.0
59.01381	100.0
60.01714	1.7
61.98832	2.1
63.65897	0.7
70.82313	1.7
71.01382	77.9
72.01709	1.1
72.62305	0.7
72.99326	6.2
73.02954	6.5
74.02470	1.0
83.01376	6.1
84.02165	0.8
85.02953	18.4
87.00877	3.7
89.02445	84.2
89.80632	0.7
90.02771	1.6
92.09017	0.7
93.18616	0.7
95.01398	6.2
99.00883	2.4
101.02443	55.0
102.02811	1.6
111.00872	1.2
113.02447	29.1
117.90601	0.8
119.03503	37.3
120.03860	1.3
125.02448	1.3
131.03511	3.1
143.03503	4.7
149.04523	3.5
159.03035	1.4
161.04561	9.5
179.05580	4.9
232.17526	0.8
249.18561	1.3
278.40469	0.8
338.08966	1.0
343.19601	0.8
387.75638	0.7
411.23724	2.2
429.24951	17.0
430.24884	2.6
435.44540	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.249
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25862	0.9
55.01886	1.9
57.03440	2.1
58.00597	4.0
59.01381	100.0
60.01714	1.7
61.98832	2.1
63.65897	0.7
70.82313	1.7
71.01382	77.9
72.01709	1.1
72.62305	0.7
72.99326	6.2
73.02954	6.5
74.02470	1.0
83.01376	6.1
84.02165	0.8
85.02953	18.4
87.00877	3.7
89.02445	84.2
89.80632	0.7
90.02771	1.6
92.09017	0.7
93.18616	0.7
95.01398	6.2
99.00883	2.4
101.02443	55.0
102.02811	1.6
111.00872	1.2
113.02447	29.1
117.90601	0.8
119.03503	37.3
120.03860	1.3
125.02448	1.3
131.03511	3.1
143.03503	4.7
149.04523	3.5
159.03035	1.4
161.04561	9.5
179.05580	4.9
232.17526	0.8
249.18561	1.3
278.40469	0.8
338.08966	1.0
343.19601	0.8
387.75638	0.7
411.23724	2.2
429.24951	17.0
430.24884	2.6
435.44540	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.3
57.03433	0.5
58.00588	0.5
58.02974	0.5
59.01379	100.0
60.01716	1.1
71.01382	11.6
71.23656	0.5
72.99342	0.6
73.02942	0.7
73.04089	1.3
83.82171	0.3
85.02959	1.8
87.00898	0.7
89.02444	15.7
95.01385	0.7
97.04101	0.6
98.02491	0.3
101.02445	6.3
101.03106	0.5
106.09451	0.3
113.02445	4.8
113.44222	0.3
115.05131	3.3
119.03500	5.8
121.06551	0.4
127.05160	0.4
130.08743	6.1
130.79533	0.4
131.03529	0.6
137.09738	2.0
143.03523	1.0
149.04605	0.4
161.04530	1.7
169.09900	0.6
169.30008	0.3
172.07161	0.3
179.05588	3.7
199.18246	1.6
223.13477	0.9
243.17155	0.6
256.20349	1.4
313.22607	0.3
320.09616	0.3
366.68610	0.3
399.22531	3.9
411.22665	1.2
429.23633	6.6
429.29099	0.6
430.23764	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2354
Annotation	Ala-Leu-Leu-Asp
Peak:m/z	Relative Intensity
55.01852	1.2
58.00570	1.4
59.01384	35.7
61.98842	8.8
69.03448	2.1
71.01383	48.1
71.10841	1.3
71.53175	1.6
71.53586	1.6
72.00898	1.1
72.99279	1.9
73.02937	3.3
74.02472	8.0
75.00856	2.3
78.20213	1.3
83.01379	2.7
84.04513	1.7
85.02953	6.7
86.02506	1.5
87.00864	3.7
87.05618	3.4
88.04045	32.0
89.01937	1.6
89.02449	23.6
95.01366	1.5
96.00905	1.8
96.95995	1.2
97.04082	1.2
98.02461	3.9
99.00872	1.8
101.02450	15.7
101.07241	1.9
102.05595	1.9
104.03534	4.5
109.04086	3.3
109.06597	1.5
112.07674	2.6
113.02447	10.0
113.03552	1.4
115.00381	36.8
115.08769	5.6
116.07191	9.2
117.01952	1.4
117.03497	1.5
119.03496	8.7
119.04993	1.2
122.09784	1.4
123.03227	1.5
125.03520	1.2
125.05921	2.2
125.82322	1.1
127.05133	6.5
127.08637	1.4
128.03537	10.1
129.10347	42.4
130.08751	20.7
130.10686	1.7
131.09096	1.2
132.03035	18.5
134.03758	7.8
135.04535	1.4
139.08817	5.9
140.07132	2.3
143.03502	2.6
143.11862	3.8
144.99211	1.4
145.02953	8.0
145.06204	1.9
149.06052	2.8
151.69231	1.4
152.07076	1.6
153.10298	1.7
155.08302	1.6
155.11932	6.3
157.13457	4.1
159.03029	2.3
161.04529	5.7
163.04024	2.0
165.10329	20.9
166.08749	13.5
166.10071	1.8
166.10658	2.0
169.13458	1.4
178.02682	2.9
179.05745	6.5
179.07086	1.5
180.10188	1.9
182.12979	22.1
183.11400	6.3
185.16608	2.9
187.10896	1.7
191.05516	2.0
193.05028	4.7
197.12828	1.4
200.14047	6.1
201.12463	2.8
210.07704	1.2
211.14439	1.8
215.14011	2.0
223.11963	2.7
227.10426	1.7
228.17128	5.3
229.15521	1.9
238.14401	2.5
245.42767	1.3
249.14900	1.4
256.20438	2.4
267.16028	7.1
270.21838	1.9
295.21399	45.0
296.21622	4.6
298.14127	3.7
300.19052	2.1
304.38010	1.4
313.22443	28.8
314.20770	26.5
315.21283	2.5
367.26968	1.9
385.24637	13.1
386.24902	1.5
394.19882	8.4
395.20142	2.7
399.26178	6.1
411.22672	6.0
412.22665	2.1
429.14798	10.0
429.23419	100.0
430.23792	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	429.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03955	0.4
52.26317	0.4
53.18850	0.5
57.03446	5.9
59.01379	100.0
60.01708	0.8
71.01382	8.6
73.02960	2.1
83.01413	1.0
85.02940	3.3
87.00936	0.4
89.02470	2.1
95.01431	0.5
99.00878	0.8
101.02445	4.9
113.02454	3.6
137.09712	1.2
143.03497	0.7
149.09717	0.5
159.03075	0.8
161.04562	8.0
192.11542	4.3
207.13892	23.3
208.14296	1.5
223.13426	2.0
267.12433	1.8
297.00079	0.5
348.16534	0.6
429.21439	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24415	0.5
69.24827	1.0
97.33324	0.2
99.92587	5.7
100.92681	0.4
100.93365	8.3
101.93377	0.6
113.92661	0.3
115.92082	100.0
116.92089	6.1
116.92873	6.1
117.92887	0.2
124.97559	0.2
132.92351	1.0
142.94482	0.4
155.95210	0.2
172.95465	4.9
172.96970	0.3
173.95576	0.3
242.30072	0.2
255.23308	0.9
302.14914	0.2
355.16003	0.5
371.15649	0.3
381.17160	0.7
411.18454	0.2
429.19519	3.9
430.19742	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2127
Annotation	Dendroside F
Peak:m/z	Relative Intensity
55.01871	0.7
57.03422	1.0
58.00591	1.1
59.01377	100.0
60.01728	0.8
61.98856	0.5
62.47209	0.5
63.35472	0.5
69.03448	0.9
69.73615	3.1
71.01380	21.9
72.99312	1.2
73.02952	1.2
79.94729	0.4
83.01395	1.2
85.02959	3.4
87.00890	1.9
89.02443	28.2
95.01401	1.6
98.19907	0.6
101.02443	10.6
107.05048	1.5
110.43167	0.5
113.02447	9.8
113.03160	0.7
119.03500	10.6
131.03522	1.0
143.03516	2.2
148.86790	0.5
149.04573	0.9
156.51553	0.5
161.04535	3.2
161.09744	1.4
161.13286	0.7
179.05595	5.9
185.00966	0.6
187.11359	2.1
189.09242	0.7
205.12369	0.7
223.13359	10.4
224.13811	0.9
249.11397	1.4
249.15048	2.1
250.81456	0.6
267.12369	7.5
267.16125	0.9
268.12790	1.3
355.51703	0.6
363.55289	0.5
369.15799	1.0
371.72104	0.5
429.16913	0.6
429.21594	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	429.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.0
61.98829	30.2
70.08618	2.1
71.01386	2.9
72.99301	1.2
84.59098	0.5
86.35409	0.5
87.00875	100.0
88.01216	2.3
89.02445	3.4
90.69839	0.4
92.95986	0.6
101.02452	1.4
109.56166	0.5
113.02447	1.0
115.00359	0.7
119.03468	1.1
127.90105	0.5
132.41702	0.5
135.03018	0.4
155.98529	0.5
172.99458	0.6
173.99556	0.8
175.96870	0.6
179.05637	1.6
187.15677	0.6
190.96053	0.6
200.69839	0.5
206.03416	0.6
210.95045	0.6
211.95209	0.7
218.43364	0.6
228.04204	0.5
267.94138	1.9
268.93857	1.5
286.94821	0.5
291.36899	0.5
299.00940	0.5
326.96219	0.6
327.96249	2.5
328.00009	0.8
328.96115	1.4
341.10849	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	429.115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.5
59.01380	10.5
61.98830	100.0
65.21912	0.4
69.03451	0.7
71.01380	7.5
72.99327	0.6
73.02955	1.4
73.04079	0.4
74.02481	1.3
78.06348	0.4
83.01375	0.4
85.02938	1.7
87.00875	0.9
87.05643	0.6
88.04060	1.3
89.02441	5.8
92.01170	0.4
92.05053	2.9
95.01402	0.7
96.00925	0.6
99.00877	0.5
101.02437	5.4
102.05582	0.4
108.02193	1.0
109.01690	1.3
109.02940	1.0
113.02435	3.1
115.00372	0.4
116.05065	5.0
119.03501	2.2
124.04073	0.4
127.05192	0.6
128.03542	5.4
129.10353	2.2
130.08739	2.1
132.03015	0.5
136.04050	4.3
143.03513	0.6
143.11896	0.7
152.01199	1.4
153.01926	0.4
158.06142	0.8
161.04636	1.2
166.08763	0.5
167.03494	0.4
169.09753	0.4
173.04565	0.5
179.05644	0.7
180.53899	0.4
186.05612	11.3
186.07230	0.7
187.05988	0.7
187.10944	1.1
197.13045	0.6
200.14136	1.5
208.06183	0.4
210.07788	1.6
225.08853	0.6
241.12033	1.2
249.15024	0.4
253.12404	0.5
267.16132	1.2
281.11401	0.6
281.19742	0.6
298.13837	0.5
299.21005	1.2
315.07159	0.5
366.11914	12.1
367.12219	1.6
393.17798	1.3
402.21082	0.4
411.22388	2.2
429.15570	0.8
429.23276	4.0
430.38599	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.21701	1.8
61.98839	2.7
69.92501	10.7
97.64879	1.9
98.19967	2.8
98.66975	1.7
153.63341	1.8
293.21155	4.7
344.99982	2.0
419.81781	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	428.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	30.4
61.98832	100.0
63.99249	3.4
65.22767	2.4
70.73312	7.1
71.01397	8.9
85.02950	3.9
87.00896	4.2
87.05646	7.9
88.04037	8.4
89.02441	11.0
96.00896	3.4
98.02511	3.5
101.02450	3.4
102.05607	5.2
108.03369	2.4
108.66866	2.8
110.02483	4.3
113.02464	6.1
113.03582	9.5
119.03515	3.6
120.01241	3.2
127.05154	5.1
128.03511	15.0
129.10371	3.6
130.08748	10.2
131.93861	2.8
141.10387	2.9
145.06180	11.1
146.04625	5.2
161.02509	2.8
172.81987	3.1
199.94279	2.5
201.12064	2.8
250.53920	2.7
267.07205	4.3
300.19217	5.6
324.11975	8.4
342.67795	2.9
428.24878	15.1
429.14148	3.8
429.23904	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	427.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.8
59.01370	3.3
61.73371	0.8
61.98827	2.5
70.76930	0.8
71.01382	39.0
72.99312	15.4
87.00880	1.7
96.96008	1.0
98.20763	1.6
99.92562	0.9
105.59666	0.9
115.00367	7.2
118.22965	1.0
139.11229	1.5
164.36115	0.9
177.12862	1.2
181.12302	1.1
195.13831	1.4
229.38594	1.1
241.11832	0.8
243.81741	0.8
249.14819	1.3
249.22227	1.8
293.21234	50.2
294.21469	5.9
309.20480	1.7
310.20868	1.2
311.22269	100.0
312.22559	10.4
321.24579	1.2
409.22409	5.5
427.23340	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	427.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95683	0.4
58.10085	0.3
59.01372	2.7
61.98823	1.0
64.82401	0.4
70.85142	0.3
71.01382	23.3
72.99308	6.9
74.82806	0.3
76.48544	0.3
78.32650	0.3
81.58690	0.3
83.05058	0.4
92.32621	0.3
96.51320	0.3
97.06567	0.4
98.20676	1.3
114.99564	0.8
115.00376	13.6
125.09695	2.4
127.07780	0.4
133.01434	5.5
139.11314	0.7
141.09230	1.3
141.12805	0.9
153.09241	0.9
155.14377	1.2
160.02573	0.4
167.10799	0.9
171.10266	1.2
183.14015	0.4
185.15453	0.5
198.23264	0.3
199.09741	0.9
200.10628	1.9
231.26495	0.4
239.23744	0.5
249.22169	2.2
251.13670	0.3
265.21704	1.1
267.23282	0.6
275.20059	0.9
293.21274	5.9
294.21567	1.0
294.60239	0.3
311.22269	100.0
312.22626	11.7
365.23398	0.8
405.64401	0.4
409.22308	3.5
410.22556	0.8
427.23392	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.7
57.03442	2.0
58.00575	0.6
59.01113	0.9
59.01383	16.3
59.11760	0.5
61.98867	0.9
63.73978	0.5
70.35319	1.8
71.01383	16.8
72.99321	1.3
73.02951	7.3
83.01392	5.7
85.02949	11.5
87.00861	0.7
89.02454	1.4
95.01395	2.2
98.48503	0.5
99.00877	2.5
101.02444	16.0
102.02807	0.5
110.29079	0.5
111.00915	0.6
113.02454	6.4
116.92210	0.5
119.94406	0.6
159.02908	1.1
161.04541	1.6
221.15482	1.9
222.15796	0.6
427.19687	100.0
428.20050	14.2
428.24612	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.6
57.03439	2.8
58.00591	1.3
59.01379	23.1
61.98836	4.6
69.03466	0.9
71.01379	23.1
71.23477	1.4
72.99289	1.5
73.02940	9.7
75.00863	0.7
78.95882	0.8
83.01379	6.5
85.02942	12.2
86.00098	0.9
87.00879	1.5
89.02438	9.4
95.01382	2.8
96.96017	1.4
99.00880	4.3
101.01794	1.3
101.02438	18.7
104.85573	0.6
111.00879	0.7
113.02445	8.0
114.05586	0.9
119.03509	2.1
126.16302	0.6
130.08755	0.7
131.03458	1.7
135.04623	0.8
138.83141	0.6
143.03529	1.1
146.53058	0.6
149.04559	0.9
155.10806	1.2
159.02969	1.2
161.04579	3.0
179.05611	0.7
185.13362	1.2
221.15480	1.9
229.12271	1.0
247.11020	1.1
247.13354	7.9
265.07489	1.5
265.14471	1.9
317.66299	0.8
427.19696	100.0
428.20065	14.8
428.25134	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.8
57.03454	2.4
58.00593	2.1
59.01384	37.5
61.98827	3.7
65.33769	0.4
66.56673	0.4
66.84480	0.4
67.30840	0.3
68.98664	0.5
69.03461	0.7
69.93564	0.4
71.01383	35.4
71.53756	0.7
72.01714	0.5
72.99307	2.0
73.02949	9.9
74.02406	0.4
83.01385	7.0
85.02948	14.8
86.00088	1.8
87.00875	3.4
88.04063	0.6
89.02445	29.4
93.03449	1.2
95.01367	1.5
97.02906	0.6
99.00897	3.0
101.02442	26.7
111.00846	0.5
113.02453	8.2
113.03574	1.0
114.05618	0.9
119.03513	1.0
120.76669	0.4
125.02415	1.1
128.03529	0.4
129.02013	0.4
129.18279	0.4
130.06215	1.0
130.07167	0.4
130.08717	2.8
131.03517	8.1
137.02441	0.8
149.04558	10.0
161.04585	1.4
191.05600	4.7
199.18130	0.8
207.04024	0.4
221.15422	1.7
265.14386	1.0
283.09256	0.4
365.18265	0.9
394.32635	0.5
411.22650	0.4
427.19690	100.0
428.20004	13.6
428.25198	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	426.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99643	0.5
56.42853	0.5
59.01371	1.8
61.98825	14.4
64.50829	0.5
71.01369	1.5
71.51063	1.0
72.99330	0.7
74.99387	1.2
78.95901	0.9
82.02948	0.7
85.02921	0.7
87.98906	1.5
89.02409	0.7
101.00666	1.9
101.61951	0.5
103.98385	2.1
104.98495	0.7
109.02949	0.8
111.00894	3.7
111.01980	0.7
113.02448	1.0
119.97903	3.1
120.01247	100.0
121.01592	1.5
124.04042	1.2
125.02409	0.6
136.04025	2.1
143.03516	3.5
143.97879	2.2
144.99664	2.5
148.91626	0.5
153.01917	0.9
165.64505	0.8
173.98872	0.5
183.03181	0.5
203.99991	3.2
246.04305	1.9
246.89070	0.6
261.26459	0.6
264.02325	0.5
264.05511	3.1
298.15338	0.5
366.07541	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33950	1.4
55.01860	2.8
57.03453	2.2
59.01379	32.0
61.98828	15.9
66.10267	1.6
70.58714	3.1
70.59053	1.9
71.01375	28.0
73.02949	12.5
78.04182	1.5
83.01394	6.8
85.02947	17.2
89.02465	3.8
96.95993	2.4
98.20583	1.6
99.00883	5.8
101.02439	37.4
108.02180	3.6
109.02995	2.6
111.00832	1.7
113.02453	13.1
125.02523	1.8
152.01178	2.8
159.02991	2.5
161.04558	10.5
231.27887	1.6
235.11855	100.0
236.12234	3.6
315.07120	2.1
367.16046	51.2
368.16327	4.7
406.51956	1.6
427.08780	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	425.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.9
59.01379	5.0
61.98831	17.9
62.64310	0.9
65.34910	1.0
67.31246	0.9
71.01384	57.8
71.54141	1.3
72.99309	16.5
78.95900	5.1
87.00854	1.9
96.97040	1.1
97.02960	1.1
97.06580	1.0
109.06644	1.2
111.08204	1.2
111.98637	0.9
115.00367	18.6
123.04517	1.0
123.08147	1.8
125.09705	1.6
133.01408	2.0
137.09711	3.5
139.11284	13.3
151.11287	3.3
152.99562	6.1
153.09244	1.5
171.10252	15.1
177.12885	1.7
185.42709	1.1
193.08459	22.8
194.08832	2.2
195.13950	2.1
211.13440	1.0
221.11769	2.3
237.15028	1.2
240.13737	1.0
247.20679	7.0
273.18634	1.6
291.19653	100.0
292.20020	9.9
309.20706	99.8
310.21011	9.5
319.22592	1.4
333.19553	1.1
343.24869	15.2
344.25143	2.2
365.23007	5.3
366.23483	1.3
381.24655	1.1
407.20755	3.8
425.22009	4.7
425.33704	1.5
427.93661	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03803	0.5
57.03430	1.0
59.01359	1.9
59.25299	0.4
60.90430	0.4
61.98822	3.0
69.46897	3.9
71.01381	33.8
72.99310	7.1
98.19936	0.9
99.00967	0.5
107.08660	0.9
112.53163	0.5
115.00371	17.3
123.08147	0.7
125.09749	0.5
133.01424	10.1
133.21985	0.4
139.11263	2.5
152.44826	0.5
155.10754	0.8
165.12854	0.8
167.10733	1.9
183.10272	1.2
185.11861	0.8
193.15933	1.0
199.13408	1.0
213.11272	2.3
214.12032	1.2
227.12930	1.2
240.13698	1.8
247.20750	1.0
273.18518	0.9
291.19641	12.9
292.19867	1.6
309.20694	100.0
310.21021	10.7
325.52774	0.5
332.21545	0.5
407.21225	1.1
425.21643	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.218
Annotation	Sinulaflexiolide C
Peak:m/z	Relative Intensity
54.74475	0.5
55.01888	1.1
57.03450	1.2
59.01381	100.0
60.01713	1.1
61.98833	11.4
69.17613	0.5
71.01382	17.9
71.54351	0.7
72.99322	1.1
73.02948	7.9
83.01373	2.8
85.02943	6.6
87.00882	0.8
89.02448	7.6
95.01395	1.3
99.00893	1.6
101.02440	10.0
113.02444	8.0
119.03493	3.6
161.04613	3.5
179.05678	0.9
221.15529	0.8
310.96252	0.5
365.19806	2.4
383.20786	7.1
384.21213	1.3
425.23117	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.218
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67266	0.6
57.03435	1.5
59.01372	2.1
61.98831	4.0
69.32381	5.0
71.01382	26.9
72.99310	6.7
83.05025	0.9
89.02488	0.5
97.06591	0.5
101.25085	0.7
109.06602	0.8
115.00362	12.3
116.76385	0.7
123.08173	0.9
125.09716	4.1
125.82626	0.5
133.01401	5.9
137.09680	0.9
139.11349	0.8
141.09277	0.8
153.09222	0.8
155.10771	1.1
171.10217	3.1
183.13858	1.1
195.13887	1.0
199.09782	3.2
200.10544	3.0
201.11307	2.5
211.13332	1.4
247.20711	2.8
263.20108	0.8
265.21811	0.8
273.18665	1.1
281.21454	0.6
291.16513	1.1
291.19617	8.1
292.20026	0.7
309.20694	100.0
310.21048	11.8
328.13370	0.6
363.21982	0.8
381.23785	0.6
407.20792	3.4
408.21387	0.7
425.22330	0.6
425.29184	5.7
426.29474	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	7.6
57.03449	3.6
58.00597	3.5
59.01377	100.0
60.01722	1.7
61.98829	20.8
69.51165	3.6
71.01379	78.0
72.01736	0.8
72.99309	4.5
73.02943	16.0
83.01382	13.3
85.02953	31.4
87.00869	4.6
89.02445	51.1
90.02773	1.5
95.01371	5.5
97.02958	1.8
99.00886	6.6
101.02441	81.3
102.02766	1.6
110.60223	0.7
111.00947	0.7
111.94000	0.6
113.02451	38.3
114.02769	0.7
117.10223	0.8
119.03502	22.1
125.02402	1.6
131.03470	2.7
142.21989	0.8
143.03503	6.5
149.04483	1.3
159.02933	2.3
161.04547	17.8
162.04788	1.0
163.56183	0.6
179.05589	8.4
180.23450	0.7
182.24788	0.7
263.14966	40.5
264.15390	3.4
306.09088	0.9
316.18597	0.7
346.20935	1.1
362.11053	0.9
425.18219	66.4
426.18298	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	425.1818
Annotation	(-)-Ixerin J
Peak:m/z	Relative Intensity
53.69035	0.9
55.01860	3.5
57.03435	1.7
58.00577	3.9
59.01381	100.0
61.98832	10.3
62.43566	0.8
70.17117	1.6
71.01382	60.9
72.99283	3.7
73.02950	8.1
74.73612	0.8
76.13255	1.0
83.01393	7.1
85.02462	1.1
85.02955	18.0
87.00833	3.8
89.02446	61.7
95.01374	4.5
99.00851	3.9
101.02445	54.3
102.02776	1.3
109.61360	1.0
113.02451	29.3
119.03499	32.3
127.88842	0.9
131.03444	2.4
141.63461	1.0
142.58881	0.8
143.03511	5.8
149.04504	1.9
161.04555	11.4
179.05623	10.5
263.14987	17.2
264.15417	1.3
276.00278	1.1
276.20706	1.0
285.06741	0.9
425.18073	96.0
426.18472	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	425.1815
Annotation	Phe Gly Phe Gly
Peak:m/z	Relative Intensity
55.01875	2.4
57.03465	2.3
58.00595	0.7
59.01383	27.9
61.98821	1.7
70.14569	0.4
70.86406	1.1
71.01385	22.0
72.99290	1.3
73.02943	4.8
79.05545	0.7
79.43522	0.4
83.01385	3.6
85.02949	8.4
85.71532	0.5
87.00890	1.0
89.02447	10.1
95.01371	1.9
97.02924	0.5
97.06593	1.2
99.00863	1.6
101.02441	14.0
105.07129	0.8
113.02448	6.8
119.03501	3.4
123.08179	3.3
161.04633	0.5
161.09740	2.1
189.12848	2.4
191.14394	1.8
196.71921	0.4
201.12897	0.9
203.14381	0.7
219.13899	3.3
246.56157	0.5
247.13560	0.4
298.03372	0.5
425.18176	100.0
426.18454	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	425.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.5
61.35785	0.2
61.98831	100.0
70.22876	0.5
70.23260	0.5
71.01391	0.4
77.68176	0.3
101.02456	0.2
119.85476	0.2
141.01155	0.2
145.03030	0.4
170.98796	0.2
177.99736	0.3
192.01205	1.4
204.01288	0.3
248.03888	0.6
306.09128	4.2
307.09439	0.3
362.11713	2.7
425.16489	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66306	0.8
59.01375	6.5
61.98830	100.0
71.01383	4.0
71.51764	1.3
72.00908	18.4
72.99294	0.8
73.02952	0.8
74.02462	1.4
77.73115	0.9
85.02936	2.7
87.05624	1.4
89.02444	2.1
96.04562	1.3
97.04086	1.0
97.59940	0.8
99.05643	1.4
99.92580	2.1
100.00409	62.0
100.04055	5.3
101.00717	1.0
101.02438	2.5
112.04089	1.0
113.02451	2.0
114.05595	1.9
116.07169	2.5
119.04990	4.0
121.43912	0.7
124.04041	1.1
125.02438	1.0
127.05145	3.3
137.07167	0.9
140.07181	1.2
142.77934	0.8
144.03027	70.7
145.02922	9.5
146.03291	8.7
152.03682	0.9
155.08234	2.0
165.06645	1.8
183.07724	2.1
191.05589	4.2
192.01236	1.2
207.06749	1.4
219.06960	1.1
227.06708	6.2
261.05447	6.8
262.10760	2.5
263.11185	6.3
293.16031	2.7
306.09116	4.2
362.11850	2.5
412.56314	0.9
425.17670	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	425.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29930	0.3
57.24292	0.2
61.98831	100.0
70.23188	1.1
79.00983	0.3
192.01300	1.0
239.12735	0.3
248.03951	0.5
306.09192	3.6
307.09634	0.4
362.11731	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	425.102
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	6.9
59.01382	9.5
61.74427	1.2
61.98829	100.0
67.01928	1.1
70.02978	2.0
70.08770	1.0
71.01386	6.6
71.54264	2.1
72.61580	1.0
72.99304	1.5
74.02462	17.3
80.61633	1.0
82.02972	4.6
83.01378	3.4
85.02946	3.0
87.00910	1.1
87.05631	7.2
88.03983	1.0
89.02444	3.5
90.00164	1.4
90.46053	1.0
93.03427	3.3
96.00937	1.5
96.04549	8.4
96.96036	1.4
97.04075	6.8
98.02479	4.3
99.05638	10.9
101.02443	5.1
108.04562	5.5
110.02451	2.2
112.04046	8.3
112.07671	6.1
113.02452	2.3
113.03564	5.6
115.05141	1.3
117.03496	2.3
119.05024	43.7
120.04549	1.1
120.05346	2.4
122.06128	3.7
124.04044	4.0
125.03591	2.2
125.04803	3.8
126.05535	1.8
127.05130	10.7
131.04622	2.1
137.07181	3.3
138.05649	1.2
139.08797	1.5
140.03464	1.1
140.07179	11.0
143.04611	3.9
145.02928	6.3
146.03235	1.8
150.04317	1.5
152.03535	2.7
153.06665	1.2
155.08267	18.4
160.00745	1.2
163.03972	2.9
165.06711	14.3
169.06201	1.7
171.07674	1.0
173.04454	2.2
177.03392	1.2
183.07732	31.9
186.02306	1.9
191.05592	2.5
192.01181	1.2
197.05670	2.8
215.06587	3.0
225.05153	1.9
227.06723	63.4
228.06966	2.6
233.09392	1.0
245.13957	1.1
246.16835	1.2
248.03984	1.4
249.04149	1.1
261.05481	70.4
262.05713	3.3
306.09113	2.6
312.45117	1.1
329.27182	1.1
362.11801	2.8
363.16467	3.7
401.60095	1.2
425.18274	17.0
426.18497	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.2
61.98828	100.0
69.34765	0.4
71.01398	1.6
71.53161	0.9
80.96483	0.5
84.80108	0.5
88.20293	0.5
89.02432	0.8
91.73611	0.5
93.03476	0.9
96.96004	1.3
99.00965	0.6
101.02477	0.6
108.16728	0.5
108.28190	0.6
109.17659	0.5
114.40321	0.5
129.10374	0.7
130.60918	0.6
173.04623	1.0
176.38470	0.7
186.37645	0.5
191.05600	0.7
192.63718	0.5
195.77376	0.5
199.13278	0.7
248.42024	0.5
250.28961	0.5
254.91209	0.6
268.19244	1.1
306.09192	2.1
361.18588	1.5
361.22525	1.5
362.11795	1.2
424.21432	0.9
425.18207	0.7
444.97552	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70198	0.3
55.02827	0.3
59.01383	2.0
60.20004	0.3
61.98832	20.2
64.74780	0.3
66.63655	0.3
70.69474	0.7
70.69846	0.6
71.01062	0.3
71.01390	1.8
73.02972	0.4
75.00876	0.5
78.95905	0.7
85.02956	2.6
85.76805	0.3
87.00865	0.4
89.02452	0.7
93.03461	1.2
96.04581	0.4
96.96036	0.5
96.96979	0.7
98.06128	1.2
99.57974	0.3
101.02443	0.8
106.09854	0.3
109.02926	0.4
111.04522	0.4
113.02483	0.8
114.05607	1.4
116.07182	13.8
117.03471	9.9
119.05018	2.7
120.99811	0.3
121.02975	0.7
124.10892	0.3
127.04097	0.4
127.05172	1.6
140.07202	1.9
145.02963	100.0
146.03316	5.6
155.08299	0.3
161.04561	0.3
162.00214	2.6
173.04550	0.8
176.07178	2.6
191.05620	21.4
192.05994	1.0
206.64868	0.3
227.06778	0.7
232.00735	8.1
233.01073	0.8
242.28395	0.3
250.01648	0.5
261.05380	0.5
262.10834	52.6
263.11163	4.5
266.11493	0.5
293.15967	0.7
304.11972	0.9
306.09167	0.7
323.08505	0.3
362.11780	0.5
381.17853	0.3
413.47495	0.3
424.07321	0.5
424.16058	6.3
425.16241	1.0
425.20773	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30008	0.5
59.01351	0.6
61.98832	100.0
78.82903	0.5
103.66567	0.5
106.53815	0.4
145.02983	2.0
169.43996	0.5
262.10812	0.7
266.60168	0.6
304.83636	0.5
425.35501	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
71.01382	0.7
71.22821	0.9
71.23167	1.0
74.36705	0.7
74.75131	0.7
76.98271	0.9
83.03703	0.6
85.02959	0.7
90.24715	0.6
100.04136	0.7
100.90034	0.6
155.10777	5.9
173.81476	0.7
199.09729	10.2
199.11391	1.1
200.10089	0.8
219.13861	1.0
256.03955	0.7
263.12918	1.8
265.03281	0.7
272.82907	0.7
306.09421	1.2
332.42383	0.7
361.15411	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68978	0.3
55.12501	0.4
55.60244	0.3
68.73457	0.3
73.75451	0.4
75.11605	0.3
75.51705	0.4
78.95905	13.8
83.11797	0.3
94.99066	0.5
104.97458	0.4
110.98534	9.6
121.33281	0.3
146.72612	0.4
166.99713	0.7
167.01151	11.8
185.02196	2.5
229.97041	0.4
255.23300	100.0
256.23651	10.6
423.25232	14.0
424.25705	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	423.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34411	0.3
57.03428	0.3
66.71582	0.3
68.02937	0.3
69.48997	2.5
70.30694	0.3
70.31141	0.3
78.95904	10.1
88.64366	0.4
97.98908	0.3
104.97416	0.5
110.98528	7.9
119.46735	0.3
137.00087	0.6
151.01312	0.4
152.20984	0.4
152.99545	0.4
167.01140	8.7
185.02165	2.8
208.19266	0.4
253.78029	0.4
255.23277	100.0
256.23605	10.3
423.25174	14.1
423.29626	0.2
424.25278	1.7
431.76434	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98433	0.5
55.00909	0.5
56.92643	0.5
58.24726	0.4
59.01362	1.0
67.01888	5.5
78.95901	1.1
85.02949	9.6
102.81759	0.5
103.71339	0.5
111.00882	100.0
112.01217	2.9
125.87787	0.5
129.01933	2.3
139.11295	1.0
150.26424	0.4
152.99626	0.8
155.10860	0.6
167.10793	1.1
188.94882	0.5
193.17964	0.6
195.13792	0.6
214.12082	0.5
243.65182	0.5
255.23312	0.8
293.21182	2.5
311.22272	26.5
312.22592	3.5
317.24869	1.0
361.23874	3.1
423.23880	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71518	0.8
56.50150	0.8
58.19433	1.0
59.01370	3.5
66.68042	0.9
71.01383	30.4
71.54357	1.1
72.99310	9.8
96.96002	0.8
97.06638	1.2
102.31371	0.7
103.58360	0.8
107.08669	7.7
111.04515	0.9
111.05354	0.8
115.00379	11.0
115.54012	0.8
119.08646	2.3
122.64008	0.9
123.08154	1.8
125.09724	5.3
133.06676	0.8
135.08144	1.3
137.09692	3.7
153.09138	0.8
171.10208	2.1
199.09731	9.3
200.10445	2.8
210.57442	0.9
213.11259	2.4
213.84312	0.9
245.19066	5.9
263.20117	2.7
279.19284	1.0
289.18060	10.9
290.18381	1.1
307.19141	100.0
308.19455	12.3
343.16745	0.8
405.19098	3.2
423.20303	1.8
423.25296	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	423.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.0
56.50917	1.7
57.03439	3.3
58.00584	4.7
59.01380	91.9
61.98830	22.9
71.01382	100.0
72.99312	5.3
73.02944	24.0
83.01412	10.2
83.93340	1.7
85.02960	32.5
87.00869	6.5
89.02448	91.5
90.02798	2.1
95.01397	5.7
97.02931	3.5
99.00880	5.2
101.02441	73.7
101.92416	1.5
102.02767	2.3
110.07225	5.3
111.00915	1.7
113.02455	39.6
119.03505	38.2
125.02451	4.5
131.03473	8.9
143.03488	10.6
145.03038	2.1
146.03642	2.0
149.04561	3.6
154.06209	4.7
159.03033	4.6
160.03687	1.5
161.04562	30.7
162.04950	2.2
179.05621	50.9
179.07216	2.6
191.05640	4.0
196.07242	2.0
221.06654	17.0
243.12254	5.9
261.13556	9.2
324.25534	1.7
423.18655	21.7
424.20596	5.4
449.14291	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	423.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	8.1
57.03431	5.3
57.09476	1.2
58.00584	2.2
58.75771	1.1
59.01380	67.1
61.98832	14.4
70.79822	2.7
71.01381	79.7
72.99311	2.4
73.02941	24.0
76.47852	1.1
83.01389	19.9
85.02947	38.6
87.00862	4.5
89.02440	26.5
93.41576	1.2
95.01382	5.5
97.02940	2.4
98.20571	1.2
99.00872	11.5
101.02441	100.0
102.02766	1.6
110.81209	1.0
113.02445	37.9
114.02760	1.4
119.03493	11.6
124.38506	1.1
125.02430	3.2
125.09701	5.6
127.55875	1.2
129.01881	2.1
129.84525	1.2
131.03540	2.0
131.57684	1.3
143.03452	6.8
155.77019	1.2
158.15816	1.3
159.02957	4.7
161.04556	27.1
167.03494	1.7
179.05594	4.7
187.09724	3.5
219.13911	1.5
220.02336	1.1
261.13406	53.4
262.13730	4.4
423.18689	57.6
424.19061	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	423.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96327	1.1
55.01876	5.8
57.03451	6.8
58.00584	2.2
59.01381	82.4
61.98832	9.6
69.03487	1.6
69.97237	5.2
71.01385	81.4
72.99308	3.2
73.02950	14.2
73.32706	1.1
83.01385	11.9
84.02237	1.2
85.02954	40.3
87.00862	6.3
89.02451	52.3
94.41998	1.3
95.01395	13.3
97.02980	2.0
98.19989	2.4
99.00884	4.5
101.02448	60.3
113.02454	100.0
114.02782	3.1
119.03510	18.2
125.02415	2.2
125.09756	3.1
128.53497	1.3
131.03502	4.0
143.03510	9.8
159.03099	2.0
161.04553	33.2
162.04877	1.7
173.11714	1.4
179.05611	17.8
187.09778	3.0
258.26086	1.3
261.13519	6.6
423.18768	29.2
424.18906	2.5
441.57309	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	423.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29386	1.8
59.01390	12.1
60.01728	2.9
61.98830	100.0
69.37119	15.5
69.94513	1.6
71.01371	3.8
77.05167	2.3
78.95939	2.0
89.02451	2.4
93.03452	1.7
98.19897	3.3
101.02441	4.1
155.10733	3.8
164.07242	2.5
165.56169	1.9
199.09680	5.1
215.66521	2.2
296.43280	1.8
331.68259	2.1
361.22269	2.0
366.76334	2.2
399.91275	2.0
423.18393	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.0
56.50917	1.7
57.03439	3.3
58.00584	4.7
59.01380	91.9
61.98830	22.9
71.01382	100.0
72.99312	5.3
73.02944	24.0
83.01412	10.2
83.93340	1.7
85.02960	32.5
87.00869	6.5
89.02448	91.5
90.02798	2.1
95.01397	5.7
97.02931	3.5
99.00880	5.2
101.02441	73.7
101.92416	1.5
102.02767	2.3
110.07225	5.3
111.00915	1.7
113.02455	39.6
119.03505	38.2
125.02451	4.5
131.03473	8.9
143.03488	10.6
145.03038	2.1
146.03642	2.0
149.04561	3.6
154.06209	4.7
159.03033	4.6
160.03687	1.5
161.04562	30.7
162.04950	2.2
179.05621	50.9
179.07216	2.6
191.05640	4.0
196.07242	2.0
221.06654	17.0
243.12254	5.9
261.13556	9.2
324.25534	1.7
423.18655	21.7
424.20596	5.4
449.14291	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	423.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	18.7
61.98827	100.0
62.71530	8.9
64.33614	7.4
66.64554	7.8
69.84382	43.8
71.01386	17.8
73.02931	9.0
85.02934	9.0
89.02419	10.7
98.20533	15.6
101.02472	13.4
113.02397	8.6
125.09710	31.6
158.43033	8.1
187.09763	33.4
225.40207	9.9
237.11133	7.7
237.81551	7.8
248.03830	9.1
286.17990	7.6
423.18509	85.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29386	1.8
59.01390	12.1
60.01728	2.9
61.98830	100.0
69.37119	15.5
69.94513	1.6
71.01371	3.8
77.05167	2.3
78.95939	2.0
89.02451	2.4
93.03452	1.7
98.19897	3.3
101.02441	4.1
155.10733	3.8
164.07242	2.5
165.56169	1.9
199.09680	5.1
215.66521	2.2
296.43280	1.8
331.68259	2.1
361.22269	2.0
366.76334	2.2
399.91275	2.0
423.18393	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08477	0.4
58.02966	0.8
59.01374	5.8
61.98830	4.0
65.38038	0.4
70.02986	3.5
70.94238	1.0
71.01371	1.0
71.05010	4.1
71.60549	0.4
78.95951	0.5
85.02957	0.4
87.00906	0.6
87.05649	1.7
96.95968	1.1
99.04520	1.0
113.03584	4.3
116.07193	0.7
117.03470	22.2
118.03800	0.9
119.05031	6.3
123.76907	0.4
130.03320	1.6
130.08713	0.9
145.02954	100.0
146.03323	4.4
146.08235	21.9
147.05965	1.3
147.08649	1.1
163.04007	2.8
163.05179	0.6
173.03920	0.7
199.13504	0.7
202.48727	0.4
217.11932	3.8
222.05959	2.4
277.12280	19.2
278.12622	1.8
315.96841	0.4
396.71320	0.4
423.16031	4.0
423.24948	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	421.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.9
57.03454	1.2
58.00571	0.6
59.01376	68.6
60.01720	1.3
60.88890	0.5
61.98828	7.7
65.22919	0.5
71.01376	18.1
71.52997	0.6
72.99299	0.8
73.02940	7.2
83.01389	3.5
85.02941	10.4
86.00081	1.2
87.00885	1.6
87.21352	0.5
89.02448	2.6
95.01376	1.6
99.00893	3.0
101.02438	15.3
101.19406	0.5
111.00881	1.0
113.02443	5.9
119.03496	0.5
125.02434	0.7
132.68181	0.5
143.03502	0.7
159.02975	1.2
161.04547	4.1
173.04579	0.5
191.05621	2.2
199.16968	0.8
259.19171	3.2
260.19302	0.6
289.16571	8.5
343.25540	0.5
361.22391	4.1
403.23340	6.4
404.23843	0.8
407.49484	0.5
421.24442	100.0
422.19656	1.0
422.24826	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	421.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81503	0.7
55.01866	1.0
57.03427	1.0
59.01378	73.0
60.01727	1.0
61.98822	1.8
63.62481	0.6
65.47707	0.7
69.45475	4.1
71.01383	15.4
72.20462	0.6
73.02950	5.0
83.01397	4.6
85.02950	8.1
89.02409	1.7
93.52588	0.7
95.01387	1.8
99.00893	1.8
101.02442	15.5
113.02464	5.9
125.02454	0.7
127.69931	0.7
159.02972	0.9
161.04601	3.3
191.05603	3.0
236.53320	0.7
238.24385	0.7
250.22253	0.7
361.22430	4.8
362.23056	1.1
403.23267	5.7
404.23657	1.0
421.24408	100.0
422.24728	14.4
449.79315	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.7
59.01382	77.7
69.47820	2.4
69.48217	7.1
71.01387	11.6
73.02946	6.7
74.73177	1.1
83.01382	2.9
83.98168	1.4
85.02962	8.0
99.00878	3.3
101.02439	12.8
113.02448	5.6
135.04504	2.8
161.04651	1.7
211.08572	1.3
215.94315	1.2
225.75429	1.3
356.42123	1.2
361.22299	3.9
403.23483	7.7
421.24423	100.0
422.24768	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	421.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.3
57.03440	1.0
59.01381	79.0
60.01693	1.4
61.98836	4.2
67.11866	0.6
71.01383	15.1
72.59744	0.7
72.99300	0.9
73.02942	6.3
78.95912	1.5
83.01377	3.4
85.02942	9.2
86.00115	0.9
87.00862	1.6
89.02435	2.8
95.01373	1.4
96.96007	0.8
99.00861	2.4
101.02446	15.4
103.18778	0.7
113.02449	6.3
161.04555	2.3
165.90248	0.7
205.26906	0.7
213.97905	0.6
241.18243	0.8
256.75760	0.7
361.22260	3.8
403.18411	0.9
403.23358	7.0
404.23740	0.9
417.72888	0.7
421.24399	100.0
422.19656	1.0
422.24820	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	421.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
64.48448	0.5
64.83086	0.5
78.02569	0.6
78.95899	6.1
87.37596	0.5
91.13506	0.5
98.19878	1.7
100.77559	0.5
110.98541	3.6
127.20133	0.6
134.04657	0.7
152.99568	2.0
167.01123	1.8
185.02162	3.9
191.84094	0.5
253.21716	100.0
254.22049	9.3
389.90237	0.6
421.23566	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	421.223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78879	0.5
56.88274	0.5
56.88561	0.5
59.01366	1.1
67.01888	6.1
67.51882	0.5
85.02944	16.6
86.06487	0.6
87.00945	0.5
111.00879	100.0
112.01220	2.4
118.22008	0.5
129.01923	6.7
133.36287	0.7
139.11241	0.7
167.10747	0.6
217.18265	0.6
247.20355	0.6
254.42760	0.6
255.71254	0.6
291.19659	4.4
298.38309	0.6
309.20685	22.2
310.21060	2.4
359.22079	1.3
408.76889	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37181	1.0
59.01385	2.0
60.67950	1.1
61.98833	1.4
65.52701	1.0
67.01879	5.1
68.74431	1.1
71.01393	1.4
71.54530	1.4
76.55397	1.1
85.02946	32.5
97.02958	1.3
111.00879	100.0
112.01221	3.1
125.09763	1.8
129.01950	8.7
175.63820	1.2
242.14694	1.1
246.32399	1.0
291.19644	10.1
292.20325	1.5
309.20685	26.4
310.21030	2.1
352.65973	1.2
359.22113	2.1
421.22601	2.0
421.28104	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	421.2082
Annotation	(3R)-1-Octen-3-yl-beta-primeveroside
Peak:m/z	Relative Intensity
51.05750	1.0
55.01878	9.1
57.03464	6.2
57.03704	1.2
58.00596	2.4
59.01382	42.2
61.98841	4.8
63.94780	1.1
69.03454	3.3
70.34810	2.8
71.01383	100.0
71.05038	1.2
72.01729	2.4
72.99317	2.5
73.02949	39.1
74.03270	1.2
75.00869	2.4
81.03477	2.1
83.01385	15.5
83.05124	0.9
85.02953	45.3
85.75613	0.9
87.00880	4.9
89.02448	22.6
92.11562	0.9
95.01416	8.2
97.02942	6.1
99.00890	18.6
99.04523	1.2
101.02446	67.7
102.02718	1.3
111.00861	2.8
113.02453	38.7
114.02868	1.5
115.03997	5.3
119.03513	1.9
125.02457	8.0
127.11304	1.7
129.01964	1.5
131.03506	4.4
139.11267	1.1
143.03481	5.0
149.04561	2.9
150.96848	1.0
153.55516	1.1
159.03029	7.8
161.04552	40.9
162.04887	2.0
167.40063	1.0
171.62759	0.9
191.05646	2.0
205.03548	1.6
233.06648	9.4
289.16568	55.9
290.16934	6.0
293.08884	2.8
331.37018	1.1
403.23236	1.9
421.20193	60.1
422.20413	8.3
422.25961	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	421.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.8
59.01379	100.0
61.98836	6.2
63.77179	0.9
68.50319	1.0
69.49281	7.7
70.02983	4.3
70.56002	1.0
71.01373	16.0
71.05018	3.5
73.04066	3.5
74.02468	4.7
85.02941	5.1
87.00871	1.3
87.05632	2.3
89.02441	15.8
92.53123	1.0
93.03452	1.1
101.02436	12.1
108.00997	1.0
113.02422	5.7
119.03526	8.3
119.05004	3.1
120.73385	1.0
124.04050	3.8
127.05135	3.6
128.03546	2.2
130.03337	1.5
130.08733	13.1
131.03529	1.2
134.06136	2.1
141.06689	1.9
143.03542	1.6
143.04568	1.5
143.11865	1.8
145.02945	1.5
145.28273	1.3
146.08243	20.6
147.05952	1.9
161.04543	3.2
173.09303	1.3
179.05595	2.9
183.69670	1.2
185.05698	1.5
191.05536	2.2
199.13332	1.3
217.11908	5.8
223.06171	2.4
223.60657	1.0
228.10439	1.8
230.08006	2.2
232.13353	2.9
244.77454	1.3
254.15083	1.7
260.09256	1.4
273.08868	2.6
277.12262	27.0
278.12549	1.9
291.09836	2.5
293.15399	1.1
299.20740	1.1
301.03400	1.2
306.93002	1.1
361.18802	6.6
377.18320	13.6
378.18274	1.8
390.09174	1.0
404.18323	7.6
421.21268	8.2
422.19345	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	421.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72260	1.2
51.46090	1.1
59.01379	100.0
60.01704	1.8
61.40696	1.6
61.98834	7.4
69.87869	5.7
71.01011	1.9
71.01387	29.8
72.99322	3.0
75.00870	1.5
85.02944	5.5
87.00874	2.3
88.04045	2.5
89.02448	43.3
95.01375	1.7
101.02446	17.2
109.06623	1.7
113.02438	11.8
113.90426	1.4
115.04012	1.7
119.03511	18.2
127.05201	1.4
127.07629	4.8
128.03534	5.8
131.03459	1.9
136.13069	1.3
137.09763	1.8
143.03448	2.7
149.04547	2.0
160.36584	1.3
161.04579	3.4
179.05630	13.0
180.06604	1.6
181.08720	1.6
235.39149	1.4
249.06172	1.7
267.95026	1.6
312.13797	1.5
321.13782	1.5
361.15054	10.9
362.15320	1.7
377.12625	1.6
409.28061	1.5
421.08725	1.6
421.13043	7.1
421.24756	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	421.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66033	1.6
57.03442	6.0
58.02985	3.1
59.01380	96.8
61.98825	8.0
69.42480	4.9
69.42908	4.9
70.02981	12.0
71.01381	17.3
71.05026	13.8
72.99332	1.7
73.04076	8.3
74.02472	10.2
75.00881	1.4
85.02951	5.0
85.06561	1.5
87.00867	1.6
87.05642	5.1
89.02449	15.9
95.01405	1.4
98.72169	1.3
99.00926	3.6
99.04530	7.6
101.02452	13.0
113.02456	8.1
116.07179	2.3
119.03513	5.7
119.05087	1.8
124.04034	3.6
127.05128	1.5
128.03551	2.7
130.03317	9.7
130.08730	9.0
136.58632	1.4
139.05156	1.6
141.06737	1.7
143.03545	2.3
143.04688	1.3
143.11896	2.9
145.02946	3.2
146.06294	3.2
146.08232	84.9
147.06026	5.6
147.08571	2.8
161.04515	3.8
167.04643	1.6
174.66168	1.3
179.05640	2.7
191.05592	3.3
192.01303	2.0
193.01500	2.3
217.11914	18.5
218.12468	1.6
228.10324	2.3
230.08167	2.8
232.13475	1.7
249.04190	1.7
254.15030	1.9
259.12003	1.7
259.14597	2.1
273.09015	1.4
277.12259	100.0
278.12515	9.4
310.98383	1.4
319.13409	1.5
361.18646	6.6
377.18213	17.4
404.18207	5.3
421.21063	21.0
422.19586	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	421.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26676	1.9
57.72879	1.8
59.01379	100.0
61.12490	1.8
61.98827	12.6
69.45743	12.0
71.01366	3.4
72.86589	2.0
73.02968	2.2
85.02938	2.2
89.02416	3.2
98.07937	2.0
98.19925	3.8
101.02439	2.4
113.02431	3.1
173.04544	2.1
185.11838	3.7
191.05583	4.0
236.99973	1.8
255.30182	2.3
361.18698	25.8
421.16129	5.0
421.20932	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	421.1635
Annotation	Kuwanon D
Peak:m/z	Relative Intensity
59.01381	100.0
60.69569	4.6
61.98846	25.3
70.87185	11.3
71.01391	19.7
71.61287	4.7
75.21702	5.1
89.02456	26.1
93.16877	6.5
101.02457	12.3
102.16623	5.5
113.02442	11.6
119.03501	14.9
122.64735	4.9
128.16156	4.8
130.90746	5.4
133.91663	5.5
163.09882	5.6
179.05548	6.3
234.69485	5.1
242.61267	5.3
275.08313	5.2
361.18625	8.3
421.16330	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	421.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.69569	4.6
61.98846	25.3
70.87185	11.3
71.01391	19.7
71.61287	4.7
75.21702	5.1
89.02456	26.1
93.16877	6.5
101.02457	12.3
102.16623	5.5
113.02442	11.6
119.03501	14.9
122.64735	4.9
128.16156	4.8
130.90746	5.4
133.91663	5.5
163.09882	5.6
179.05548	6.3
234.69485	5.1
242.61267	5.3
275.08313	5.2
361.18625	8.3
421.16330	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	421.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	44.5
61.98833	39.7
68.94897	4.7
70.86741	10.0
71.01382	29.7
71.02510	6.4
73.02927	6.2
73.09232	4.7
75.00900	8.9
80.84387	5.0
81.90912	5.0
83.77448	5.2
85.02946	19.2
89.02451	13.4
100.00413	12.4
101.02477	9.7
103.62117	5.0
105.83710	5.2
113.02462	21.4
115.61652	4.7
130.08755	12.4
153.09155	7.1
171.10234	28.1
173.04453	8.9
191.05588	11.0
197.11852	20.2
197.28600	4.9
274.60632	5.6
391.19867	11.4
421.16278	100.0
421.20993	18.6
422.16519	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	421.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.9
57.03445	3.0
58.00588	0.9
59.01379	25.3
61.98833	4.4
62.44236	0.8
67.01894	1.2
67.05556	0.8
67.91512	0.7
68.99805	1.1
69.03461	1.4
69.67012	3.2
71.01382	21.3
72.99299	5.7
73.02945	3.1
74.02437	0.8
75.00874	12.1
81.03481	0.8
82.12666	0.8
83.01382	1.1
83.05032	1.1
85.02956	17.4
87.00880	7.6
89.02440	7.5
93.03467	2.7
95.01383	4.8
95.54673	0.7
99.00880	8.9
99.05687	0.7
101.02451	3.6
103.00379	1.3
107.05024	2.6
109.06589	18.9
111.00830	1.6
113.01721	1.4
113.02459	19.6
115.00349	2.2
117.01917	2.3
119.03503	1.8
125.02479	1.4
127.07658	64.3
128.03511	2.8
128.07983	2.5
129.01927	2.2
130.08742	0.8
131.03519	0.7
132.86169	0.7
135.04497	2.0
143.04588	1.4
145.02954	1.9
146.08234	2.8
153.05554	2.3
157.01372	1.5
163.03882	0.9
171.06635	9.8
173.04521	0.8
175.02432	2.0
176.03542	0.9
191.00394	1.1
191.05623	8.5
192.01166	1.0
195.16893	0.7
200.13583	0.7
205.07085	1.0
215.07022	0.8
231.05135	1.6
241.36333	0.7
245.10251	7.0
248.03842	1.3
249.04161	1.5
249.06223	14.8
258.01584	1.0
258.55969	0.7
259.06119	4.1
265.93201	0.7
267.07205	13.3
277.12250	3.1
283.06073	1.4
292.02722	0.8
293.03152	1.1
301.03546	1.7
304.06046	2.3
331.04453	1.0
337.09259	0.7
359.13519	3.1
377.14032	1.2
377.18246	7.1
378.18399	1.0
383.55594	0.7
393.60898	0.8
403.12234	3.7
421.13474	100.0
421.20361	3.0
422.07889	1.2
422.13892	10.4
422.19229	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	421.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65656	1.2
57.03444	4.2
58.00598	1.5
59.01380	60.3
61.98833	10.8
67.01904	1.6
69.03461	2.8
69.23114	1.5
69.23460	11.8
71.01384	34.4
72.99306	8.0
73.02953	8.7
74.02464	1.3
75.00867	15.0
78.98618	1.8
79.95747	3.9
80.96510	17.0
81.03447	1.9
83.01386	3.2
85.02950	23.6
87.00884	9.7
89.02444	12.6
93.03457	1.9
93.40121	1.2
94.98091	4.0
95.01357	6.0
96.95960	1.6
98.83942	1.1
99.00880	10.2
101.02441	9.4
102.03551	1.2
103.00356	1.6
107.05065	2.2
109.06598	21.9
113.01713	2.3
113.02453	27.9
114.02853	1.2
115.00375	3.4
115.04005	1.4
117.01942	2.1
119.03481	2.3
119.05042	2.5
121.02985	2.9
125.02478	1.6
125.06087	8.4
127.07656	73.0
128.03537	2.8
128.07997	3.5
129.01921	2.1
130.08714	2.2
132.04584	1.7
134.97588	1.5
136.34494	1.3
145.03046	1.3
148.99097	1.8
149.04546	1.9
152.98601	1.7
153.05569	1.9
157.01463	1.7
161.04596	2.1
163.04039	1.6
163.75412	1.3
164.98616	2.6
171.06627	12.4
173.04587	1.6
175.02515	3.0
180.06616	2.6
191.00444	1.1
191.05650	4.1
192.01216	2.6
193.01572	1.8
199.09741	7.3
217.14421	2.9
225.00769	3.0
245.10239	7.4
248.03783	3.0
249.04080	3.6
249.06285	7.9
259.06058	1.5
259.11819	5.2
267.07190	19.8
271.14856	1.3
277.12146	2.0
292.02689	1.9
293.03146	2.2
306.91995	1.3
341.11472	1.2
359.13452	5.4
361.18594	3.4
377.18228	2.3
379.19659	1.9
403.12308	4.1
421.08063	23.8
421.13470	100.0
421.20370	3.0
422.08646	1.8
422.13837	11.9
422.19284	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	420.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	11.9
59.01389	4.8
61.79049	0.7
61.98833	26.1
62.16248	0.7
67.11211	0.8
71.01379	2.9
72.00913	4.2
73.02933	0.9
73.04073	6.9
80.82571	0.8
82.06631	2.0
83.01421	0.8
85.02963	1.1
89.02410	1.1
91.05536	5.5
94.62454	0.7
97.04075	1.1
98.02475	4.5
101.02421	2.1
108.08206	2.2
112.07694	1.7
113.02444	1.3
115.05137	6.6
116.03514	0.7
117.89675	0.7
126.09270	1.0
129.09415	1.1
129.10341	14.7
141.10309	1.8
143.11871	1.2
147.04523	18.7
151.08769	2.1
152.07176	11.1
153.05475	1.0
153.07587	0.9
155.08279	2.4
164.07164	44.3
165.07492	2.3
167.07143	1.7
168.11417	19.6
169.09787	1.4
169.11771	0.9
186.12476	37.1
187.12825	1.4
196.09787	1.2
201.11337	1.5
210.12471	20.0
211.10869	3.4
211.12601	0.7
228.13539	3.0
229.05722	1.0
233.16583	10.7
234.16949	1.3
277.15601	5.8
289.16602	1.9
290.18771	8.8
321.17068	1.0
332.19763	5.3
339.18121	1.0
357.19641	1.0
376.18756	100.0
377.19058	12.1
402.20358	1.7
420.21390	16.0
421.20483	1.1
421.25009	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	419.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.5
59.98176	0.6
61.98829	100.0
69.63995	1.3
69.64399	3.2
71.01383	3.0
74.02459	0.6
77.37420	0.6
78.95934	0.5
79.91059	0.7
85.02981	1.1
86.02510	0.6
89.02466	1.8
93.03471	0.6
101.02473	2.4
113.02449	0.8
119.03544	0.7
128.03519	3.4
130.08766	4.6
161.04515	0.7
163.63927	0.6
171.07878	0.7
173.04543	1.1
183.10320	0.8
191.05679	0.9
192.81099	0.6
195.06702	0.9
197.11740	0.7
208.03064	0.6
227.12975	1.4
243.12456	2.0
252.67328	0.6
287.14978	4.4
356.25510	5.7
419.22800	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	420.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41541	0.4
59.01381	10.2
61.98830	100.0
69.37857	1.6
69.38280	1.9
71.01386	1.6
73.02950	0.5
85.02948	0.7
89.02457	1.7
98.19825	0.7
101.02463	1.8
113.02450	0.9
119.03548	0.6
170.02905	1.1
191.05624	0.6
233.56891	0.5
361.18854	0.6
377.18387	0.6
421.20972	1.0
424.70059	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92128	0.6
54.15936	0.6
57.03426	0.8
57.60894	0.6
58.02952	0.8
59.01376	2.8
61.98828	100.0
65.56270	0.6
71.02325	1.3
74.02485	0.8
101.02467	1.0
102.54586	0.6
113.02457	0.8
120.77824	0.6
127.58611	0.6
141.09227	0.8
143.04625	2.4
144.05092	0.7
161.04474	1.0
177.03352	1.9
191.89842	0.7
197.11827	5.5
198.12202	4.5
202.57150	0.7
241.10835	9.0
242.11145	11.2
243.11545	0.7
371.67279	0.6
421.16681	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2287
Annotation	Euodionoside E
Peak:m/z	Relative Intensity
50.96255	0.5
51.47634	0.4
52.87578	0.5
55.01882	0.9
58.00603	1.3
59.01382	100.0
60.01728	1.6
61.98833	9.0
70.13887	2.4
71.01385	19.7
72.99315	1.3
73.02956	1.6
77.81173	0.5
83.01394	1.3
85.02958	3.9
89.02450	19.6
95.01396	1.6
99.00945	0.6
101.02449	11.8
113.02442	8.0
113.03163	0.7
117.98072	0.5
119.03499	7.5
125.09694	0.6
161.04633	0.6
164.07164	0.6
167.07208	0.5
173.22792	0.6
179.05673	0.8
211.23653	0.5
221.15463	0.7
239.16554	2.3
257.13959	0.7
376.18799	1.4
401.21747	6.9
402.21869	0.6
419.22855	98.6
420.23254	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	419.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83247	0.6
55.01871	1.2
57.03432	1.7
59.01381	70.6
60.01714	1.2
61.98827	4.2
68.32474	0.5
69.50552	2.5
69.50954	1.3
71.01382	13.4
72.99302	1.2
73.02952	5.9
83.01382	3.6
85.02956	9.5
86.00105	0.7
87.00876	1.3
89.02446	2.3
95.01378	1.3
96.96006	2.5
97.02941	0.9
98.20022	1.2
99.00877	2.5
101.02444	15.8
107.58669	0.5
113.02467	6.0
117.52830	0.5
125.09827	0.6
129.01945	0.6
130.55292	0.5
143.03496	0.6
159.02956	0.9
161.04544	1.9
188.03607	0.5
359.20834	4.3
401.21820	6.8
419.22830	100.0
420.23196	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	419.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	79.8
61.98832	11.8
64.78586	1.4
65.03962	1.7
69.32743	1.6
71.01008	2.4
71.01380	34.5
71.54146	2.6
72.99287	2.5
73.02969	8.8
73.03298	2.3
78.09931	1.5
82.33961	1.6
83.01370	4.9
83.05024	8.1
85.02949	9.2
85.68780	1.5
87.00871	6.0
89.02000	2.1
89.02457	18.2
96.23450	1.4
96.95985	1.5
99.00893	2.5
99.08147	3.9
101.02454	20.2
113.02444	11.9
119.03539	9.2
119.04224	1.8
139.11267	1.7
143.03517	1.6
169.15948	3.0
179.14317	1.8
197.15427	8.1
215.16518	42.1
216.16821	3.2
229.18089	2.2
239.16560	6.8
257.17645	2.0
259.19061	2.4
359.20761	25.9
360.21094	4.3
377.21796	64.3
378.22116	7.0
384.81393	1.7
403.38336	1.6
419.22797	100.0
420.23132	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	419.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
57.03441	1.0
58.00623	0.8
59.01381	100.0
60.01703	0.9
61.98829	13.2
70.35657	2.0
71.01382	10.2
72.82276	0.7
72.99335	0.9
73.02959	2.9
83.01411	2.0
85.02959	5.4
89.02444	3.9
95.01408	0.7
98.19953	0.7
99.00896	1.5
100.19573	0.6
101.02449	6.7
113.02465	3.9
119.03524	1.8
121.02965	0.9
129.01915	1.6
130.02307	0.6
131.02504	0.6
143.03551	0.8
147.04506	0.7
149.02451	1.1
149.04559	0.8
150.03209	1.2
159.03041	1.1
161.04521	5.1
163.73883	0.6
164.07150	1.5
165.05577	1.4
173.04454	0.9
191.05669	1.8
223.06198	1.0
269.05756	1.0
279.24814	0.7
301.08334	0.7
305.43323	0.7
355.09317	0.8
359.20996	2.5
387.12177	0.7
419.13919	1.2
419.23077	12.1
420.23004	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	419.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
57.03441	1.0
58.00623	0.8
59.01381	100.0
60.01703	0.9
61.98829	13.2
70.35657	2.0
71.01382	10.2
72.82276	0.7
72.99335	0.9
73.02959	2.9
83.01411	2.0
85.02959	5.4
89.02444	3.9
95.01408	0.7
98.19953	0.7
99.00896	1.5
100.19573	0.6
101.02449	6.7
113.02465	3.9
119.03524	1.8
121.02965	0.9
129.01915	1.6
130.02307	0.6
131.02504	0.6
143.03551	0.8
147.04506	0.7
149.02451	1.1
149.04559	0.8
150.03209	1.2
159.03041	1.1
161.04521	5.1
163.73883	0.6
164.07150	1.5
165.05577	1.4
173.04454	0.9
191.05669	1.8
223.06198	1.0
269.05756	1.0
279.24814	0.7
301.08334	0.7
305.43323	0.7
355.09317	0.8
359.20996	2.5
387.12177	0.7
419.13919	1.2
419.23077	12.1
420.23004	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	418.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	4.4
59.01380	100.0
60.01703	5.7
61.45338	3.6
61.98538	5.7
61.98830	84.5
69.98344	11.3
71.01379	42.0
72.01693	5.0
73.02931	7.4
74.02461	7.1
82.07184	3.9
83.01402	6.4
85.02937	14.2
88.04021	7.5
89.02452	43.4
96.65472	4.5
96.96944	9.9
98.20577	4.9
99.00879	44.8
101.02441	33.2
102.05587	9.3
113.02437	21.6
115.08764	4.6
119.03488	17.6
124.03883	4.1
128.03540	24.1
130.08710	11.0
131.08211	6.2
142.06660	8.3
143.03517	6.1
146.04576	5.7
147.32626	4.3
161.04523	15.7
170.06068	16.7
170.54141	4.1
172.10818	6.3
173.04472	5.0
179.05595	13.5
181.05067	8.9
182.97919	4.5
191.05612	8.2
197.11807	14.0
241.06897	3.7
241.10822	23.4
289.12076	9.8
319.17645	28.6
374.19073	4.5
377.18082	14.9
418.16556	22.6
418.21652	44.1
419.10690	21.8
419.18588	26.9
419.23621	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	419.1782
Annotation	Murrastifoline F
Peak:m/z	Relative Intensity
58.52271	2.5
59.01369	9.2
61.98828	25.1
64.07048	2.9
66.80225	2.5
70.02978	7.6
70.78513	5.3
71.01366	4.4
72.00910	4.9
73.04070	4.3
74.02463	30.2
78.95881	6.3
80.43623	2.6
82.02988	7.4
82.16359	2.6
82.57369	3.0
83.02525	12.9
84.00897	6.6
86.02469	6.2
87.05630	22.1
95.02509	2.8
96.00915	38.1
96.95985	3.5
97.04073	11.1
98.02464	27.7
99.00890	3.0
99.01998	5.3
99.05637	21.9
100.00395	2.7
104.03527	37.0
109.01721	5.1
110.01225	4.7
110.02496	4.2
111.00857	5.6
111.05623	3.8
112.02825	6.2
113.03568	43.0
125.03582	15.2
127.05141	11.5
129.10341	3.6
130.04037	3.3
130.08701	5.3
131.04628	37.6
138.09280	6.6
139.08748	11.1
143.04607	5.2
148.02766	3.4
151.02606	11.9
165.10333	6.8
166.08714	25.5
169.09824	19.4
173.05865	3.0
179.11899	7.9
181.09831	18.3
183.11403	3.5
193.09779	8.8
195.11407	3.3
200.13974	6.4
205.09837	21.0
208.11047	3.0
208.43367	3.1
212.13960	4.7
223.10918	6.1
234.12498	3.9
236.14006	6.5
262.11902	4.3
266.15100	4.1
267.09839	17.1
280.12936	9.1
284.12494	7.0
292.13040	16.5
296.12561	3.8
297.11008	8.1
309.15659	6.8
310.14023	5.1
314.13611	10.2
324.11923	19.6
332.14569	12.7
340.15018	7.9
354.13132	43.8
355.13403	5.1
371.15857	8.1
384.14063	98.2
385.14069	13.9
389.16711	12.0
390.07892	2.9
401.16742	44.4
402.15698	8.1
419.11993	5.9
419.17841	100.0
420.18137	13.1
425.69427	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69893	4.3
59.01374	100.0
63.05181	5.7
65.23222	4.3
98.20759	11.3
129.74718	5.4
151.24821	5.6
159.48389	5.0
289.05362	5.9
417.20673	5.9
427.08377	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	417.2131
Annotation	Maryal
Peak:m/z	Relative Intensity
55.01880	1.6
57.03450	1.1
58.00590	1.6
59.01381	100.0
60.01689	1.1
63.93927	0.6
69.42313	5.4
71.01382	24.3
71.05029	0.8
72.99322	2.1
73.02949	2.8
74.12959	0.6
83.01395	2.2
85.02952	5.9
87.00872	1.1
89.02445	18.7
95.01382	1.8
99.00879	1.5
101.02441	15.5
113.02460	9.1
119.03511	8.3
154.33481	0.6
159.03030	0.8
159.58507	0.6
161.04541	2.3
179.05582	1.4
191.05722	0.9
201.57468	0.6
211.13371	1.1
237.14935	3.5
255.12378	2.6
399.20160	2.4
417.21289	77.8
418.21558	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	417.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	5.2
57.03452	5.8
58.00586	2.2
59.01381	60.4
60.01711	0.7
61.98822	1.1
68.99799	0.5
69.03460	0.9
69.79614	2.4
71.01382	100.0
72.01723	1.5
72.99315	3.1
73.02947	25.5
74.03279	0.5
75.00868	2.1
81.03437	0.5
83.01387	11.6
84.02161	0.7
85.02952	43.2
86.03297	1.3
87.00882	3.6
87.04524	3.1
89.02447	31.3
90.02773	0.5
95.01390	7.1
97.02950	1.6
97.66347	0.4
99.00881	11.2
101.02445	57.6
102.02801	1.5
103.95313	0.4
111.00868	1.3
113.02451	38.2
114.02760	0.8
115.03932	0.5
117.79379	0.4
119.03503	13.4
125.02538	2.1
125.03274	0.6
129.01932	2.0
131.03497	1.4
139.00352	0.7
141.57501	0.4
143.03510	4.7
149.04468	0.5
159.02980	7.9
160.03369	0.5
161.04556	43.1
162.04836	1.0
173.04681	0.4
176.03482	0.5
179.05608	1.9
191.05586	1.4
192.05945	0.7
197.11896	0.6
205.03473	1.5
211.13356	0.5
237.14987	1.0
255.12386	1.0
255.15768	0.7
255.19678	2.1
297.20599	0.6
333.10995	0.5
399.20261	0.7
417.12823	1.0
417.20871	16.1
417.24893	16.3
418.20181	2.0
418.25183	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	417.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02710	0.9
56.67252	0.8
59.01377	12.0
69.67455	4.0
77.10905	0.8
78.95905	35.8
83.05014	1.0
96.67451	0.8
96.96925	1.7
101.02450	1.3
104.97478	1.2
110.98540	15.5
117.84567	0.8
125.52531	0.8
136.37476	0.8
152.98378	1.3
152.99582	21.3
161.04623	1.0
165.99368	1.0
167.01138	13.6
168.01465	0.9
185.02162	3.2
200.71281	1.1
231.17596	1.4
249.18587	100.0
250.18927	10.1
417.20529	14.1
417.26059	1.6
418.20700	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	417.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35970	0.4
59.01379	4.7
66.54705	0.4
69.25983	2.7
69.26390	0.8
71.01376	0.6
78.95901	6.9
84.19276	0.4
99.10784	0.5
110.33997	0.4
110.98535	4.7
113.21251	0.4
117.09085	0.4
122.72215	0.3
152.99591	0.6
157.18956	0.4
167.01125	1.9
173.99025	0.4
182.30423	0.4
185.02196	4.2
249.18587	100.0
250.18932	9.7
417.20453	4.2
418.20645	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.6
59.01381	43.6
61.98835	4.8
66.60028	0.6
71.01387	5.4
71.52531	0.6
72.00916	0.7
72.99310	0.9
73.02938	1.7
75.00856	1.4
83.01411	0.7
83.05051	0.6
84.55572	0.6
85.02953	64.6
86.03303	1.6
87.00885	0.7
89.02435	3.8
99.00854	0.8
99.04523	0.8
101.02441	3.7
113.02435	2.5
119.03484	2.3
129.01945	100.0
130.02232	3.5
130.08777	1.6
134.80891	0.6
147.02966	0.6
159.38998	0.6
161.04610	0.9
165.12846	0.9
173.04637	1.0
191.05667	0.9
207.13866	1.1
209.11806	2.4
225.11388	0.6
225.14989	2.7
227.12906	14.5
228.13182	1.2
241.06505	0.6
243.07861	0.8
251.13052	0.6
255.04228	0.8
255.07634	0.8
256.04807	1.9
269.13986	4.7
271.07275	7.9
272.07523	0.7
283.07312	2.3
287.15009	36.8
288.15204	3.7
296.04514	0.8
299.06668	1.2
311.06677	6.8
343.15482	0.7
354.20294	1.9
357.10919	1.7
385.10367	3.4
417.12958	9.9
417.21732	9.4
418.13458	1.1
418.20447	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	417.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.9
57.03454	1.3
59.01379	100.0
60.01708	1.3
61.98829	10.6
62.68485	0.9
69.36945	5.8
69.37357	2.0
71.01382	43.5
73.02953	10.0
73.04094	1.2
75.00871	1.8
83.01385	3.5
85.02949	18.9
87.00877	2.5
89.02440	13.1
90.02785	1.3
95.01372	2.5
97.02925	1.9
99.00900	5.9
101.02441	27.2
111.08158	2.7
111.33837	0.9
113.02450	17.2
114.02729	1.0
114.05607	1.1
119.03497	3.7
125.02425	1.2
130.08707	1.4
139.07640	25.1
140.07977	1.6
143.03479	3.1
144.20689	1.1
149.04521	1.2
159.02963	4.5
161.04544	46.7
161.05888	2.3
162.04874	1.7
171.10252	1.6
179.05431	1.0
191.05621	1.8
195.10231	4.5
205.03380	1.5
234.43350	1.1
250.64441	1.0
306.08847	1.2
357.15472	18.8
358.15997	2.5
382.14069	1.8
387.22263	2.3
417.17194	1.2
417.22195	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.1
57.03444	2.9
58.00591	2.8
58.91398	0.9
59.01380	100.0
61.98836	16.9
62.97968	1.0
63.44710	0.9
69.03444	4.4
70.29061	2.3
70.29421	2.5
71.01382	86.5
72.01691	1.3
72.99292	5.4
73.02950	14.6
73.04067	4.4
74.02463	1.7
75.00875	2.1
81.03452	2.9
83.01389	7.8
85.02950	25.2
87.00867	3.4
89.02444	51.8
90.02819	1.4
93.03450	1.5
95.01369	5.3
97.02953	6.5
98.02500	1.8
99.00882	7.7
99.04530	1.0
101.02448	30.1
103.05087	1.7
108.02181	31.4
109.02419	1.1
111.08147	2.2
113.02444	19.9
114.02784	1.6
115.04031	2.3
119.03483	4.2
121.02932	1.4
123.04539	18.0
125.02449	15.5
130.08739	7.6
131.03477	7.0
138.47180	1.1
139.07642	21.5
140.08058	1.1
143.03508	4.4
143.04546	1.1
149.04558	8.4
159.02980	6.3
161.04552	50.2
162.04852	1.7
173.04529	2.2
179.05522	1.6
185.16589	2.5
191.05641	7.1
195.10271	5.9
229.15456	2.0
233.06676	4.7
242.18681	2.4
293.08813	7.0
343.19846	2.9
357.15457	11.8
358.16025	1.2
373.20993	9.2
374.21411	2.0
374.41858	1.2
386.09625	1.4
387.22656	1.8
417.17508	4.3
417.22900	5.2
418.18149	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	417.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.8
58.00602	0.9
59.01379	100.0
60.01718	1.5
61.98822	1.6
66.47554	0.8
69.18322	7.8
71.01385	24.5
71.01780	1.3
72.99316	1.2
73.02946	4.0
76.29711	0.8
80.86362	0.8
83.01404	1.7
85.02950	7.6
87.00874	1.8
89.02441	29.5
95.01418	2.6
95.06415	0.7
99.00928	1.2
101.02438	16.0
113.02447	11.3
119.03493	11.0
143.03511	2.5
149.04648	0.8
159.03015	1.9
161.04543	19.9
162.04918	0.8
177.09155	5.2
179.05621	6.5
191.05629	0.8
195.10353	1.8
357.15518	22.4
358.16010	2.5
417.21838	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	417.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37490	1.1
55.01890	2.2
57.03439	2.2
58.00595	2.0
59.01380	78.0
60.01723	1.3
61.98819	3.6
69.03445	8.2
69.55900	7.5
69.61133	1.0
71.01384	100.0
72.01721	1.3
72.99297	5.4
73.02943	10.4
73.04081	5.9
74.02468	6.3
75.00868	2.7
78.95917	1.4
81.03471	5.7
83.01375	8.5
85.02956	17.3
87.00888	4.4
89.02447	94.1
90.02760	2.4
95.01393	3.4
97.02954	10.9
98.20624	2.0
99.00883	3.2
101.02455	21.1
103.05161	2.7
104.03525	4.1
108.02175	83.4
109.02492	1.8
113.02448	15.7
113.06097	1.7
115.04002	1.6
119.03500	4.2
123.04530	39.0
124.04841	1.6
125.02451	30.3
130.08742	3.5
131.03511	16.9
132.03810	1.3
137.02496	1.6
139.04004	1.2
143.03508	4.1
143.11891	4.0
149.04572	18.2
155.11894	4.0
161.04567	4.3
166.05183	1.6
169.09795	1.2
173.04501	1.8
181.08690	4.4
187.10849	1.4
191.05597	10.1
233.06711	7.4
242.18661	1.2
256.20291	1.5
268.20248	2.4
293.08786	10.4
307.09567	1.4
321.13705	1.2
325.22415	2.9
330.20551	1.8
373.20782	3.1
387.22577	6.2
417.17993	2.1
417.23508	12.9
418.18295	1.5
418.23569	2.2
441.32001	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	415.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96513	2.7
59.01381	100.0
68.93011	2.1
69.50736	16.8
71.21085	2.4
72.08444	2.3
72.53070	2.2
98.19900	4.8
119.18918	2.4
151.59683	2.2
185.12189	2.7
186.34250	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.36658	3.4
62.28448	3.5
68.38031	3.3
70.66015	10.2
75.64697	3.6
80.05345	4.1
107.75312	3.6
186.69797	4.0
199.69092	4.3
367.53433	3.8
395.21277	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	415.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83833	0.7
70.03235	1.5
70.03644	2.1
72.99303	13.8
73.02952	7.2
75.00874	79.9
76.01225	1.3
85.36345	0.8
96.57959	0.7
98.20614	1.0
110.70628	0.7
144.14519	0.7
167.35115	0.8
186.50226	0.7
189.97913	0.8
233.16360	0.7
233.43546	0.8
247.11081	0.7
287.88550	0.7
415.34277	100.0
416.34592	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	416.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	14.6
61.98832	100.0
71.01382	12.6
72.99304	2.4
73.02947	2.2
74.02470	3.4
75.00863	1.3
83.01434	1.2
83.19805	0.8
84.05794	0.9
85.02950	3.6
86.02490	1.0
87.00862	1.0
88.04031	4.1
89.02454	13.3
96.00919	2.1
98.22520	1.0
101.02447	8.0
102.05620	1.3
113.02454	3.1
114.05582	1.5
115.08727	1.2
116.07109	1.3
119.03481	2.4
119.04948	1.1
128.03516	3.5
129.10316	1.7
130.08707	1.4
131.03490	2.6
137.02414	1.2
139.03915	1.1
141.10382	1.8
146.03714	1.2
149.02386	1.7
149.04552	8.7
151.04042	2.1
153.08031	0.9
161.04547	1.4
179.07143	1.8
180.07483	1.9
191.05588	3.3
192.01239	3.8
210.02367	2.3
215.07092	2.7
248.03897	2.2
282.61456	0.9
300.74377	1.1
301.07101	3.9
306.09244	7.9
307.09503	1.2
326.90747	1.0
358.37009	1.0
362.11697	6.1
364.83179	1.0
373.20761	1.2
381.18796	2.2
398.20209	1.1
416.21921	2.5
417.12073	1.3
417.17468	2.2
417.22314	1.4
440.86456	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2337
Annotation	Dendroside A
Peak:m/z	Relative Intensity
53.81319	0.8
55.01885	6.1
57.03450	6.5
58.00594	1.7
59.01382	43.2
61.98824	0.9
69.03436	1.0
71.01383	100.0
71.24901	0.8
71.25247	1.5
72.01733	1.0
72.99321	4.4
73.02950	26.3
75.00896	1.3
79.95695	1.1
83.01385	8.2
84.02173	1.3
85.02954	42.3
87.00885	3.5
89.02448	27.2
95.01411	6.3
96.02985	0.8
96.95957	0.9
97.02948	2.5
97.06586	1.5
99.00883	10.1
101.02448	53.2
101.06084	1.5
102.02794	1.1
106.08630	0.9
113.02455	36.8
114.02781	1.0
115.00383	2.1
119.03489	10.7
123.84766	0.9
125.02452	1.3
129.01915	2.0
131.03548	1.4
139.11333	0.9
143.03497	3.3
143.07181	5.0
145.09859	1.7
149.04604	1.3
153.43814	0.9
159.02968	7.6
161.04555	34.7
162.04875	1.2
179.05600	1.9
183.10316	1.5
205.03542	1.0
237.18599	1.5
253.18042	7.6
254.18410	1.1
299.18637	18.8
300.18994	2.0
303.96960	0.9
317.86603	1.0
391.00070	0.9
415.23419	38.2
415.31433	4.2
416.23868	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	415.2335
Annotation	Atractyloside G
Peak:m/z	Relative Intensity
55.01876	1.3
57.03465	1.2
58.00568	0.6
59.01381	17.0
61.98829	0.8
69.03428	0.8
71.01382	14.8
72.99309	1.3
73.02946	3.8
83.01394	2.2
83.05038	1.6
85.02943	7.4
86.85104	0.5
87.00849	1.1
89.02450	6.8
95.01396	1.7
99.00884	1.8
101.02451	8.4
102.02753	0.6
111.00890	1.0
113.02450	4.8
119.03539	1.1
121.06589	0.6
129.01903	2.4
137.09709	0.8
140.64545	0.5
171.10258	1.1
181.38506	0.6
183.13918	1.7
235.17010	2.3
237.18584	26.3
238.18901	3.0
253.18077	17.8
253.20641	1.2
254.18417	1.4
261.34583	0.6
396.95270	1.2
415.23373	100.0
416.23679	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	415.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29371	0.6
50.94976	0.7
53.97152	0.8
56.03637	0.7
57.73546	0.7
59.01384	3.7
64.46510	0.6
66.91655	0.7
69.91357	0.5
74.35384	0.8
74.62953	0.7
74.99100	6.8
77.00666	75.1
78.00990	1.3
87.65381	0.8
90.18442	0.6
98.20698	1.1
105.33660	0.7
129.34865	0.7
147.08170	2.4
148.81465	0.6
149.09694	1.5
157.18027	0.7
163.11278	2.2
166.59482	0.8
187.11247	2.4
260.06473	0.7
277.25687	0.7
279.23358	1.5
280.14771	1.1
294.84644	0.8
307.17044	1.0
309.22208	1.7
337.21716	100.0
337.97427	0.8
338.22061	14.9
415.23087	12.7
416.23349	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	415.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81319	0.8
55.01885	6.1
57.03450	6.5
58.00594	1.7
59.01382	43.2
61.98824	0.9
69.03436	1.0
71.01383	100.0
71.24901	0.8
71.25247	1.5
72.01733	1.0
72.99321	4.4
73.02950	26.3
75.00896	1.3
79.95695	1.1
83.01385	8.2
84.02173	1.3
85.02954	42.3
87.00885	3.5
89.02448	27.2
95.01411	6.3
96.02985	0.8
96.95957	0.9
97.02948	2.5
97.06586	1.5
99.00883	10.1
101.02448	53.2
101.06084	1.5
102.02794	1.1
106.08630	0.9
113.02455	36.8
114.02781	1.0
115.00383	2.1
119.03489	10.7
123.84766	0.9
125.02452	1.3
129.01915	2.0
131.03548	1.4
139.11333	0.9
143.03497	3.3
143.07181	5.0
145.09859	1.7
149.04604	1.3
153.43814	0.9
159.02968	7.6
161.04555	34.7
162.04875	1.2
179.05600	1.9
183.10316	1.5
205.03542	1.0
237.18599	1.5
253.18042	7.6
254.18410	1.1
299.18637	18.8
300.18994	2.0
303.96960	0.9
317.86603	1.0
391.00070	0.9
415.23419	38.2
415.31433	4.2
416.23868	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	415.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22301	0.9
55.01871	1.5
56.45869	1.1
57.03445	3.1
58.00580	1.7
59.01380	83.1
61.98830	7.0
69.03455	8.5
71.01382	45.2
71.05006	1.2
71.52498	1.2
72.99300	4.1
73.02938	4.3
74.27212	0.9
81.03455	1.7
83.01377	3.8
84.54113	0.9
85.02953	12.6
87.00865	4.3
89.02445	33.8
95.01380	3.7
99.00863	2.4
101.01805	2.0
101.02445	28.7
102.03794	1.0
104.95465	1.0
113.02448	18.9
118.51226	0.9
119.03490	13.4
123.08173	1.4
125.02390	1.2
127.07606	3.2
130.08711	1.4
131.03497	2.1
143.03470	2.0
149.04541	1.2
161.04544	3.1
167.07262	1.2
173.13353	8.8
179.05614	1.2
191.14413	1.2
235.13419	7.8
236.13327	1.0
253.14311	1.2
272.99756	1.2
277.03476	1.1
310.37091	0.9
327.26178	1.2
415.19666	100.0
416.19928	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	415.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.1
57.03454	1.5
58.00588	3.1
58.02995	0.5
59.01379	78.7
60.01723	1.0
61.98857	1.0
63.40777	0.5
69.03473	1.2
69.37431	2.2
69.37853	2.6
71.01382	58.0
72.01722	0.9
72.99309	3.1
73.02946	17.8
73.04067	1.0
78.95908	4.4
80.83415	0.6
83.01390	2.5
85.02956	8.0
87.00889	1.9
87.42859	0.6
89.02444	100.0
90.02780	1.6
95.01409	1.3
96.00905	0.8
97.02893	1.3
97.06576	2.1
99.00880	27.8
99.01540	1.4
101.02441	34.8
102.02811	0.7
109.01693	1.4
113.01711	1.1
113.02451	11.7
115.03957	0.7
119.03504	7.9
123.08102	1.2
125.02437	4.9
125.07227	0.9
125.09728	12.0
127.05114	1.4
130.08749	2.8
131.03505	16.2
132.03850	1.1
140.03465	0.7
143.03481	2.4
145.06149	0.8
149.04553	52.0
150.04865	1.2
151.96924	0.6
152.99571	4.4
161.04556	3.1
179.05583	3.3
185.16570	0.8
186.12425	1.8
187.09760	10.1
191.03996	1.0
191.05614	14.5
210.07768	1.1
221.06631	1.3
251.07706	3.3
283.11597	0.6
323.16165	1.0
380.18164	1.0
397.20673	1.1
415.14108	7.5
415.20905	1.4
416.14206	0.9
416.21039	0.7
428.93890	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89874	1.8
58.00591	3.3
59.01379	100.0
61.98828	20.8
69.03458	2.3
70.59357	4.6
70.59686	2.2
71.01381	66.5
72.39301	1.9
72.99323	11.4
73.02948	11.2
81.03477	2.7
83.01383	6.8
85.02954	14.4
87.00878	12.4
89.02445	78.8
92.92802	5.0
94.07370	1.8
94.92514	2.6
95.01372	2.3
97.02948	4.7
99.00869	5.1
101.02441	56.9
106.55518	1.9
108.90208	2.6
113.02466	26.2
119.03508	25.8
119.94701	2.2
125.02468	11.4
126.98875	6.2
131.03479	5.1
143.03502	8.6
145.06161	2.4
148.94978	4.9
154.99556	3.1
161.04544	13.1
161.75775	2.0
168.01419	2.2
170.49997	2.3
172.99371	2.6
179.05595	29.9
190.96019	7.5
191.05606	3.7
221.06654	6.3
235.08174	11.4
243.54659	2.3
253.09270	8.2
256.41629	2.1
263.07758	3.3
301.86035	2.1
305.08612	2.4
313.94049	3.0
317.05466	4.3
339.01660	2.6
341.10852	16.8
415.14542	86.2
416.14957	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	415.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.1
57.03436	1.0
58.00587	2.6
59.01378	74.0
60.01716	0.6
61.98821	0.6
68.28080	0.4
69.03456	0.9
69.47755	3.2
71.01381	57.8
72.01720	0.8
72.99303	2.6
73.02946	15.9
75.00881	0.5
78.95889	1.6
81.03447	0.6
83.01386	1.7
85.02951	8.3
87.00867	0.6
89.02443	100.0
90.02766	2.3
95.01361	1.6
96.00903	0.6
97.02929	1.1
97.06590	1.3
98.02483	0.6
98.17004	0.4
98.20653	0.5
99.00877	26.6
100.01207	0.7
101.02444	33.8
102.02773	0.8
104.72733	0.4
107.95650	0.5
109.01649	1.2
113.01720	0.7
113.02448	11.0
115.00350	0.6
119.03506	9.1
122.21441	0.4
123.08111	0.6
125.02444	4.1
125.07169	0.5
125.09719	4.9
127.05154	0.6
130.08701	1.7
131.03499	17.9
143.03517	2.1
145.06134	1.3
149.04553	50.7
150.04861	1.7
152.99545	1.9
161.04517	2.7
179.05635	2.3
186.12427	1.2
187.09726	4.6
191.05608	12.8
192.05792	0.4
192.15001	0.5
201.54541	0.5
210.07620	1.2
221.06601	2.0
233.06564	0.6
251.07692	3.2
293.08493	0.8
304.99207	0.4
323.16068	0.5
380.18088	0.6
397.20648	1.0
415.15051	5.4
415.20856	1.6
416.15372	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78100	1.8
56.77623	1.7
57.19803	1.5
59.01381	100.0
71.53517	3.0
78.70666	1.9
239.38872	1.7
289.11267	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30418	1.0
55.01883	2.2
57.03439	2.9
58.00594	5.2
58.91836	1.0
59.01379	100.0
60.01698	1.7
60.41148	1.0
61.98816	1.8
65.74213	1.0
69.03458	2.9
71.01381	71.3
72.01733	1.3
72.99320	5.4
73.02939	9.0
73.20036	0.9
74.99104	1.4
75.00868	1.9
77.32498	1.0
78.51547	0.8
80.44392	0.9
81.03448	2.9
83.01388	7.2
85.02943	18.0
87.00873	12.8
89.02443	81.5
90.02778	2.1
91.03960	1.2
95.01402	3.5
97.02951	8.0
98.20773	1.8
99.00854	2.8
101.02441	60.2
102.02734	1.7
109.02962	1.4
113.02451	23.7
114.02739	1.0
115.04033	1.2
119.03498	25.4
121.02912	1.3
125.02444	13.3
131.03496	3.3
140.82285	1.2
143.03499	10.0
149.04572	3.0
161.04575	9.3
162.04913	1.0
179.05609	26.5
185.04529	2.5
216.08177	1.0
221.06625	5.8
225.52809	0.9
235.08231	12.6
236.08435	1.5
249.22264	1.6
253.09352	6.7
263.07687	3.6
287.07709	1.8
293.21188	2.4
305.08878	2.0
327.19992	11.1
328.20477	1.0
415.14590	84.9
415.21381	7.5
416.14877	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	413.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26068	3.8
59.01382	100.0
62.22797	4.1
70.85789	9.1
70.86121	8.4
75.29576	5.2
89.95917	4.1
92.57082	4.4
198.40161	4.6
198.88530	3.9
224.35760	4.8
239.79233	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76952	0.4
55.01896	0.5
55.66923	0.4
57.03448	1.2
59.01380	100.0
60.01716	0.9
61.98834	1.3
69.03461	0.6
69.64698	0.4
70.86948	0.9
71.01385	7.8
72.00912	0.4
73.02950	1.5
78.95915	0.6
83.01409	0.7
83.71984	0.4
85.02957	3.1
87.00912	0.6
89.02448	4.6
95.01392	0.6
97.03006	0.5
97.21600	0.4
99.00878	1.0
101.02443	4.8
113.02449	3.4
114.05652	0.9
117.80120	0.5
119.03551	1.1
130.08762	0.7
143.03508	0.4
151.11325	0.5
161.04596	1.7
168.06575	0.4
195.10327	1.2
199.13461	1.8
207.13986	0.4
229.84122	0.4
233.15392	0.4
251.16612	0.6
299.48615	0.4
333.14685	0.7
353.19803	0.8
371.20712	3.5
372.20953	0.5
396.21500	0.6
413.21985	2.2
413.27820	0.6
438.07687	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03476	2.3
58.26545	1.4
59.01382	20.0
61.98832	4.0
69.03445	2.4
69.51759	7.2
71.01388	23.0
72.00935	1.6
72.07729	1.6
72.99317	3.0
73.02946	1.7
75.00870	15.5
85.02951	23.4
87.00900	9.3
89.02439	8.9
93.03438	2.6
95.01383	4.4
98.19883	1.7
99.00890	10.3
103.00360	2.1
113.02451	31.7
116.07188	2.2
117.01917	3.0
117.03481	4.6
119.05026	40.9
125.29663	1.8
129.01971	2.4
130.08739	3.4
145.02940	22.7
146.58170	1.6
162.03221	12.8
163.04016	37.3
164.04305	1.7
170.55571	1.7
175.02390	2.6
177.05559	13.6
185.46384	1.8
194.07973	1.5
207.05067	2.6
209.24112	1.6
212.08311	2.4
237.07663	3.1
245.30222	1.8
249.06145	26.5
249.12483	2.2
255.08852	14.1
256.09164	2.4
267.07205	100.0
268.07504	7.3
340.09482	1.7
363.56464	1.8
375.13101	8.4
413.10794	43.0
414.11230	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	413.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91157	0.9
57.03439	3.0
59.01377	36.3
61.98814	3.7
69.61640	2.5
69.62064	3.4
71.01376	17.8
72.99303	3.7
73.02943	1.1
75.00859	9.8
83.01412	0.9
85.02947	19.8
87.00867	8.3
89.02423	5.8
90.25928	0.9
92.65430	1.0
93.03462	1.0
95.01379	4.8
99.00878	7.6
101.02413	1.7
103.00318	2.3
103.61629	1.0
104.02677	3.8
113.02446	28.1
114.05639	0.9
117.01917	1.8
117.03448	4.3
119.05019	16.8
129.01909	1.6
145.02954	18.3
148.01660	5.9
148.24745	1.1
163.04022	17.0
175.02429	1.8
176.01135	54.2
177.01443	3.3
191.03490	70.2
192.03752	4.5
207.05180	1.2
237.07587	2.0
237.17984	1.0
249.06116	5.9
267.07184	100.0
268.07422	5.0
342.73334	1.1
413.10876	21.1
414.11075	2.2
414.23425	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
70.95322	6.9
71.88454	2.3
78.95889	4.1
152.99614	3.5
154.99979	2.6
156.04718	2.5
167.13416	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	412.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24452	0.7
59.01379	7.0
61.98828	100.0
69.67728	0.7
70.07003	1.7
71.01390	2.0
80.53366	0.7
85.02962	1.0
98.20671	0.6
101.02434	1.6
109.87539	0.7
110.91742	0.6
122.21049	0.7
188.88165	0.7
207.78690	0.7
228.76773	0.7
251.16582	1.2
280.19318	0.7
311.41187	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93118	0.2
54.81273	0.2
55.82013	0.2
57.22853	0.3
59.01379	0.8
61.98830	100.0
63.80713	0.3
64.14813	0.3
71.53554	0.3
71.53954	0.3
78.95901	2.7
78.96251	0.2
80.96431	0.2
85.97412	0.3
89.77987	0.2
91.18285	0.2
98.65282	0.3
99.60115	0.2
105.31709	0.3
113.09676	0.3
147.04855	0.2
171.10268	0.3
201.11325	1.7
213.11327	1.4
234.61719	0.3
286.08011	1.4
309.20944	0.9
327.21762	5.1
328.22211	0.8
331.18906	0.6
412.19489	5.2
412.24731	0.7
413.20090	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.1
59.01352	1.3
61.98827	5.3
69.97984	2.0
70.52498	0.6
71.01382	1.8
73.02947	7.2
99.00877	32.8
99.92604	1.5
100.01254	1.1
104.08545	0.6
115.92061	1.3
116.92831	1.6
117.01934	13.0
123.08192	0.9
125.09696	3.2
139.11302	1.0
141.09201	1.7
141.12857	0.7
142.45480	0.5
153.09238	1.2
155.14445	1.9
157.12315	1.2
167.03592	0.7
171.10321	1.0
200.10518	2.4
207.95863	0.8
246.46997	0.6
249.22198	2.5
265.21667	1.5
267.23264	1.6
275.20081	0.7
293.21222	6.7
311.22260	100.0
312.22598	11.6
315.06326	0.8
349.23663	1.5
411.23804	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
81.83172	4.5
91.08530	4.3
98.19853	8.3
229.13806	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	411.2025
Annotation	(+)-Ixerin H
Peak:m/z	Relative Intensity
55.01865	2.1
57.03445	2.4
58.00595	3.8
59.01379	100.0
60.01719	1.3
61.98823	1.3
68.99818	0.5
69.03452	0.9
70.94875	1.1
71.01381	84.0
72.01717	1.4
72.99311	5.0
73.02948	8.5
74.02471	1.6
75.00914	0.5
78.76379	0.5
83.01384	5.3
85.02951	19.6
87.00874	3.8
89.02444	86.0
90.02779	2.0
95.01389	4.5
97.02946	1.5
99.00875	4.0
99.18304	0.4
101.02443	48.9
102.02769	1.0
109.04080	0.5
110.06169	0.5
111.00885	0.9
113.02453	34.3
114.02775	1.2
116.05061	0.5
119.03505	38.5
120.03863	1.0
125.02399	1.1
127.00408	0.5
127.05148	1.5
129.01938	0.8
131.03503	3.5
141.06714	0.4
143.03513	6.3
149.04530	2.9
159.03001	2.3
161.04556	17.2
162.04890	0.7
179.05606	19.9
180.05928	0.6
191.05595	0.7
203.08192	1.0
213.12859	0.9
219.13887	0.7
231.13780	0.7
249.14944	2.4
329.24884	0.6
331.94196	0.5
335.14850	0.8
393.18939	1.2
411.20306	9.1
412.20886	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75867	0.5
52.98465	0.4
53.28853	0.5
55.01869	1.8
57.03440	0.6
59.01380	1.1
61.98838	4.5
65.73242	0.6
68.39207	0.4
71.01376	0.9
71.13831	1.1
73.02959	1.4
77.77004	0.5
82.87892	0.6
99.00884	29.8
99.92584	2.5
100.01181	1.0
102.57786	0.5
111.08157	0.8
115.92057	2.0
116.92865	2.4
117.01972	2.6
139.11302	3.4
140.08273	0.7
141.12834	1.6
143.10764	0.8
155.10805	2.4
167.10774	6.0
183.10245	0.7
185.11803	1.2
214.12083	0.7
249.22244	1.1
265.21591	0.7
267.23346	1.3
283.22910	0.6
293.21240	6.9
301.04736	0.8
311.22290	100.0
312.22623	11.3
375.12692	0.7
411.14914	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2017
Annotation	(+)-Ixerin H
Peak:m/z	Relative Intensity
50.36491	1.4
55.01869	3.0
57.03446	5.5
58.00581	5.0
59.01377	99.2
61.98826	27.4
63.04696	1.6
67.01878	4.8
69.03452	100.0
70.03773	2.9
71.01378	91.8
71.21660	2.3
72.95152	1.9
72.99299	7.1
73.02934	15.9
81.03477	11.6
83.01379	7.6
85.02947	28.8
86.00093	1.6
87.00852	6.0
89.02442	68.2
90.28117	1.8
95.01385	7.6
99.00840	4.9
101.02440	58.8
107.05042	10.5
111.00880	2.2
111.17914	1.5
113.02454	35.4
115.12067	1.4
119.03499	32.3
123.04501	3.8
125.02472	3.5
125.06099	1.9
129.01953	2.3
131.03500	1.9
134.03723	2.0
138.93834	1.6
143.03481	6.7
145.63147	1.7
159.03023	2.8
161.04547	17.1
179.05571	12.0
197.11832	3.6
231.13858	7.4
249.14993	10.0
249.17296	2.4
341.16058	8.9
367.17548	11.8
393.18967	8.2
394.19583	2.3
411.20184	61.7
412.15552	2.2
412.20331	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	411.187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86221	0.5
55.01873	4.8
57.03438	4.1
57.74212	0.5
58.00589	1.3
59.01377	29.0
60.01710	0.6
61.98821	1.8
69.03451	1.3
69.06418	0.5
69.59409	3.2
71.01380	57.6
72.01716	0.7
72.99300	2.2
73.02948	22.2
75.00861	1.1
78.95876	0.5
81.03442	0.7
83.01382	11.9
84.02162	0.6
85.02947	28.7
86.00093	1.1
86.03277	0.7
87.00877	3.1
89.02439	8.2
89.02950	0.9
93.03448	1.0
95.01368	4.2
97.02946	2.0
99.00877	10.3
100.01260	0.5
101.02442	50.3
102.02751	1.2
111.00885	1.5
113.02443	21.2
115.04049	0.8
117.03462	8.4
119.05026	12.1
120.05428	1.0
125.02454	3.0
129.01956	1.3
131.03497	1.0
137.02278	0.7
141.01996	0.6
143.03526	2.8
145.02945	33.1
146.03291	1.8
149.04535	1.4
159.02983	4.9
161.04547	29.7
162.04950	0.9
163.03995	11.6
163.53183	0.5
173.04553	0.8
187.03983	2.2
191.05595	1.5
192.99631	1.7
205.05101	1.0
233.06590	1.0
249.07619	1.9
257.83871	0.6
279.14462	100.0
280.14789	7.6
309.09799	5.0
323.13257	0.5
339.16528	1.3
351.10852	14.4
352.11176	1.6
358.63046	0.6
411.13342	0.9
411.18616	11.8
412.19159	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.127
Annotation	t(6)a
Peak:m/z	Relative Intensity
52.58068	1.1
54.92859	1.2
59.01369	3.9
61.98824	6.0
69.57648	2.5
69.58062	4.1
71.01381	3.9
72.00911	25.2
73.02924	1.3
74.02476	18.0
78.42177	1.0
80.96523	2.2
85.02967	2.0
86.26221	1.0
89.02441	1.9
89.96091	1.0
98.20625	2.3
100.00411	16.3
101.02448	5.5
111.00878	1.8
111.05585	1.0
111.16335	1.0
113.02427	1.7
118.05108	100.0
119.05418	3.2
123.40974	1.1
144.03018	19.5
160.02640	4.5
161.04535	2.7
161.59232	1.3
191.05663	2.5
202.54193	1.1
245.16330	1.2
249.09586	1.8
279.14328	6.0
339.33481	1.1
411.18875	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	411.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54435	0.9
52.54918	1.0
56.14018	1.3
57.03455	1.4
59.01379	11.9
61.98831	8.3
69.45813	7.7
71.01392	6.5
71.05003	2.4
73.02972	1.7
78.95898	53.2
83.01381	1.5
83.05004	1.5
83.09308	0.9
83.75727	0.9
85.02942	2.4
89.02442	4.8
90.74091	0.9
90.88865	1.0
93.03501	1.4
96.09922	1.0
96.96978	1.4
97.02935	5.4
97.06580	1.8
99.00874	14.8
101.02435	4.6
102.02803	1.4
104.97454	1.3
107.05064	1.2
109.06569	1.3
110.03783	1.5
110.98526	41.9
111.00835	1.1
113.02435	2.0
114.05594	4.4
119.03476	3.2
125.09706	6.7
127.05128	1.7
129.10339	1.1
135.08153	1.6
142.02702	2.8
152.99585	11.5
161.04498	1.3
163.11279	9.7
167.01117	21.1
173.04605	1.2
181.12331	18.8
181.13765	1.7
182.12636	1.5
185.02176	6.2
191.05664	1.3
199.13348	11.4
200.13808	1.4
207.10242	39.9
208.10603	2.9
225.11307	52.3
226.11674	4.6
243.12357	68.6
244.12657	5.2
261.39719	1.0
379.11438	1.8
411.14221	100.0
411.19891	4.2
412.14389	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	411.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96168	2.5
57.03444	5.4
59.01382	20.8
61.98835	18.4
63.82866	2.3
64.22378	2.1
66.63467	2.2
67.01897	4.3
68.99818	3.8
69.03452	3.0
71.01376	20.1
71.53320	3.0
72.49754	2.0
72.99307	7.0
73.02948	4.7
75.00871	18.4
78.95895	4.4
83.01396	2.7
85.02956	36.8
87.00864	16.7
89.02464	7.1
91.04021	2.4
95.01409	6.3
96.96917	2.4
99.00881	66.2
100.67789	2.1
101.02478	3.1
111.00883	27.7
113.02440	26.3
115.00375	4.0
117.01935	3.7
129.01961	28.2
131.03473	7.7
135.04558	19.8
143.03484	4.3
149.49899	2.4
151.08734	3.2
161.04570	10.9
161.85492	2.4
231.04996	3.0
240.68205	2.2
249.06142	100.0
249.12421	40.1
250.06531	5.9
250.12842	4.4
267.07025	3.4
278.01541	3.8
381.10532	6.1
393.10373	16.7
411.11340	36.4
411.23560	5.9
412.12012	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	409.2358
Annotation	1-Palmitoylglycerol 3-phosphate
Peak:m/z	Relative Intensity
62.35983	0.3
69.51310	0.9
69.51741	1.1
72.08366	0.3
78.95900	68.3
85.02937	1.9
96.96950	5.2
129.01926	1.2
150.98018	1.7
152.99579	100.0
153.99933	1.6
171.00671	2.9
178.90440	0.3
183.74767	0.3
231.06874	0.3
234.45964	0.3
255.23326	2.5
279.23410	0.3
337.85287	0.3
409.23563	13.5
410.24084	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	411.0417
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.4
61.98827	8.0
62.22819	2.0
71.01380	5.9
71.53162	2.5
72.99318	3.2
78.95909	5.4
80.99672	2.1
81.52941	1.8
85.02951	6.3
96.96043	2.4
96.96981	7.4
99.00896	4.9
105.67921	2.1
111.00871	5.4
115.00412	2.4
129.01949	7.6
143.02010	76.0
144.02126	7.6
167.05630	9.4
168.99927	100.0
170.00070	11.6
196.99081	6.6
209.03032	2.6
211.04623	29.0
212.04878	2.6
237.02545	2.5
240.98076	5.7
249.06241	4.4
263.00156	2.4
279.07413	2.4
281.01550	59.8
282.01724	9.0
307.01038	2.8
310.98480	2.7
411.12381	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	409.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.1
57.03447	0.7
59.01365	1.2
61.98822	0.9
63.74584	0.7
66.43931	0.7
69.41127	0.7
70.94160	0.8
70.94497	1.6
71.01372	1.1
73.02950	12.1
75.04194	0.8
99.00881	32.1
107.08672	1.5
111.08138	0.9
117.01942	15.4
125.09708	2.0
137.09671	0.8
139.11295	2.8
141.09207	1.0
141.12950	0.7
145.93755	0.7
152.99541	1.0
155.10820	1.0
167.10771	3.1
171.10263	0.7
183.10313	1.1
185.11844	1.0
193.16125	0.8
199.13460	1.2
213.11397	1.1
214.12001	2.2
216.30701	0.7
240.13742	1.9
247.20670	2.3
273.18875	0.7
291.19675	13.4
292.20093	2.0
309.20700	100.0
310.21048	14.7
395.04108	0.9
405.76749	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.2
57.03444	1.2
59.01382	2.7
61.98831	9.7
70.74569	0.8
70.74896	0.9
71.01374	2.4
73.02947	10.0
75.00867	2.1
78.95908	2.6
80.96516	0.6
83.05038	1.3
97.02957	0.6
97.06590	0.9
99.00883	36.8
100.01231	0.8
115.92093	0.8
116.92867	1.6
117.01942	12.8
121.10191	0.7
123.08102	0.6
125.09682	3.5
127.11281	1.0
137.09700	1.3
139.11256	2.5
141.09232	1.7
151.11200	0.6
152.99561	2.5
153.09190	1.5
153.12885	0.7
155.10770	0.9
171.10233	4.7
181.12366	0.7
184.10753	0.5
197.11876	0.8
199.09761	3.9
200.10477	3.5
201.11292	2.5
211.13412	0.8
213.11377	0.8
225.04727	0.7
227.06033	1.2
247.20621	3.4
260.80841	0.6
265.07632	0.9
265.21677	1.0
267.09039	0.8
269.07025	5.5
281.21112	0.7
291.19687	7.4
292.20020	1.2
293.21213	1.3
301.04684	0.6
303.23157	0.7
309.10416	4.1
309.20706	100.0
310.21075	11.1
311.22223	7.8
312.22583	0.8
347.22247	1.6
391.26508	0.7
409.18561	1.0
409.23077	0.6
409.27576	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72182	2.0
55.01852	2.4
55.47732	2.2
57.03428	3.4
58.00594	4.0
59.01380	44.0
61.98596	1.7
61.98829	20.3
63.96292	2.3
67.01861	5.8
71.01387	22.4
71.54452	3.8
72.99290	4.4
73.02936	5.3
78.95906	5.6
83.01384	3.1
83.05037	2.5
85.02953	17.1
87.00854	6.1
89.02431	12.1
93.03448	12.4
96.96011	2.3
97.06582	4.7
99.00864	2.6
99.04515	2.8
101.02419	13.5
103.04013	2.7
109.02946	2.5
113.02398	5.0
119.34114	2.2
121.02959	2.9
123.04573	2.5
123.08112	5.9
125.36973	2.1
127.04079	2.4
135.04517	3.4
137.02513	2.3
140.34636	2.4
143.04755	2.8
152.99545	6.0
157.32207	2.4
161.09752	2.4
171.10196	2.9
173.04562	19.5
173.05968	4.6
179.10719	2.8
189.12874	3.9
191.04198	2.7
191.05634	26.2
191.14372	6.6
192.05939	2.8
194.46223	2.3
197.11827	24.1
217.05013	2.7
219.13850	7.3
222.49060	2.2
241.10817	28.2
246.10919	2.6
247.06075	6.1
247.09514	2.4
289.07156	15.4
409.12531	18.8
409.18579	100.0
410.18808	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72182	2.0
55.01852	2.4
55.47732	2.2
57.03428	3.4
58.00594	4.0
59.01380	44.0
61.98596	1.7
61.98829	20.3
63.96292	2.3
67.01861	5.8
71.01387	22.4
71.54452	3.8
72.99290	4.4
73.02936	5.3
78.95906	5.6
83.01384	3.1
83.05037	2.5
85.02953	17.1
87.00854	6.1
89.02431	12.1
93.03448	12.4
96.96011	2.3
97.06582	4.7
99.00864	2.6
99.04515	2.8
101.02419	13.5
103.04013	2.7
109.02946	2.5
113.02398	5.0
119.34114	2.2
121.02959	2.9
123.04573	2.5
123.08112	5.9
125.36973	2.1
127.04079	2.4
135.04517	3.4
137.02513	2.3
140.34636	2.4
143.04755	2.8
152.99545	6.0
157.32207	2.4
161.09752	2.4
171.10196	2.9
173.04562	19.5
173.05968	4.6
179.10719	2.8
189.12874	3.9
191.04198	2.7
191.05634	26.2
191.14372	6.6
192.05939	2.8
194.46223	2.3
197.11827	24.1
217.05013	2.7
219.13850	7.3
222.49060	2.2
241.10817	28.2
246.10919	2.6
247.06075	6.1
247.09514	2.4
289.07156	15.4
409.12531	18.8
409.18579	100.0
410.18808	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05830	1.3
53.76180	1.6
59.01380	11.5
61.98812	9.2
64.56438	1.4
69.53405	7.1
69.53808	4.7
70.02981	3.5
71.01371	4.0
71.02493	7.1
72.00910	6.7
73.04066	41.0
74.02470	1.9
76.32471	1.6
83.02500	6.4
85.04068	4.5
87.05636	4.3
89.02428	2.5
91.05545	4.2
95.02499	6.7
98.20680	3.3
99.02000	9.5
99.04535	3.2
109.05785	1.8
111.01996	4.3
112.05167	29.9
113.03577	19.5
117.06699	19.7
118.06620	5.1
130.06219	67.8
131.04633	3.6
142.06236	2.7
144.07782	5.2
147.04503	15.3
164.07158	41.3
165.05443	2.4
165.07513	2.6
169.07307	59.3
177.10336	12.7
178.10620	1.6
184.07306	3.0
187.08359	33.0
189.10304	6.2
203.08258	5.3
214.08286	3.0
221.09294	6.4
226.08185	2.0
233.09203	2.5
234.12456	9.9
251.10457	1.7
261.28098	1.7
278.11087	2.0
291.14655	13.7
303.14526	6.0
335.13589	29.8
336.14069	3.6
349.14941	2.1
365.14542	9.9
379.16190	100.0
380.16541	10.6
391.16412	3.7
407.47971	1.9
409.17316	77.9
410.17715	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	408.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87098	0.8
54.78624	0.9
55.60839	0.8
57.03414	1.1
59.01377	17.0
61.98828	8.5
70.02968	1.7
71.01369	5.4
71.02480	1.0
71.29322	1.6
73.02943	1.3
76.21389	0.9
78.53065	0.8
81.02193	3.3
82.02966	2.4
82.06608	1.5
83.02502	7.2
83.05029	1.5
84.00917	5.9
85.02936	5.9
86.22106	0.8
89.02452	1.7
93.03432	4.6
96.00912	24.2
97.01279	1.1
98.02469	16.0
99.00867	1.1
101.02480	4.5
107.05003	1.5
109.01741	1.1
110.02480	9.7
111.02009	1.2
111.08144	5.7
112.04062	1.8
113.02429	1.9
113.02793	1.0
113.03570	12.6
113.06058	0.9
114.01968	2.2
119.05028	13.7
120.05311	1.1
121.04099	1.1
127.05175	0.8
128.03532	0.9
130.08731	48.5
131.09062	1.3
134.46953	0.8
135.04485	0.9
138.09248	15.4
145.02942	2.5
146.02518	1.0
147.04509	3.3
148.02763	3.6
153.03035	0.9
155.08272	0.9
156.06633	3.7
166.08716	2.2
169.09804	2.3
171.04031	1.5
172.10521	1.2
173.08220	5.3
177.10338	0.9
179.11961	4.5
180.10294	1.2
181.09764	2.5
190.05125	1.7
191.05560	2.9
205.09825	10.2
206.10133	1.1
216.06660	7.8
218.07927	1.0
218.38600	0.8
223.10861	11.8
230.11797	4.9
232.13359	6.6
233.09352	1.6
259.07230	1.5
267.09824	7.6
268.10178	1.2
275.14059	4.5
276.12320	3.7
277.08176	1.1
286.09537	1.2
293.14966	3.4
294.15247	0.9
305.15878	1.4
329.15128	1.4
331.17493	1.2
373.14017	100.0
374.14255	13.6
390.16693	31.3
391.16684	4.5
408.18051	5.3
409.16449	3.6
409.21338	13.9
416.19708	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	408.151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.4
58.02969	2.9
59.01104	3.4
59.01380	41.5
60.01715	2.5
61.98829	100.0
71.01382	21.3
71.02536	2.1
71.54036	3.4
72.99318	12.4
73.02943	4.8
73.04065	3.8
75.00850	2.4
81.02210	2.9
83.02503	2.6
83.05064	2.3
84.00902	3.5
85.02937	12.3
87.00919	4.9
89.02448	13.5
93.03452	9.0
95.01416	2.0
96.00916	17.1
98.02469	13.6
101.02436	14.8
109.01710	5.4
110.02486	6.2
111.08145	4.8
111.73894	2.4
112.40488	2.6
113.02433	8.9
113.03584	10.4
115.16441	2.5
116.05047	12.5
119.03510	6.0
119.05029	12.7
123.52011	2.1
128.03537	5.3
128.05063	12.4
129.88052	2.1
130.06627	9.3
130.08740	22.4
132.04535	2.3
134.03635	2.4
138.09203	8.7
143.04556	4.8
144.04515	2.8
145.02892	2.7
158.06108	38.2
159.10228	6.5
161.04514	5.2
164.07118	3.6
166.08748	5.0
169.09822	3.1
172.10901	4.0
173.04543	5.9
173.08188	4.3
179.08261	2.7
179.11877	3.1
184.07669	4.7
191.05632	8.3
205.09798	5.8
216.06688	2.8
223.10847	9.3
230.11592	2.4
232.13335	3.0
244.81282	2.2
246.07585	3.2
267.09735	3.2
275.13968	3.4
276.12296	2.9
293.15048	2.2
305.15686	3.0
373.14041	64.4
374.14316	7.6
390.16736	20.6
396.13992	2.8
408.13074	10.9
408.19473	44.9
409.12173	2.6
409.20477	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	408.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
57.03456	1.5
57.95132	0.4
58.00602	1.0
59.01377	21.4
61.98831	3.4
69.03442	0.4
71.01379	26.5
71.19765	0.4
71.52256	0.8
72.01726	0.8
72.98890	1.1
72.99304	22.0
73.02937	5.1
73.04073	0.8
73.99679	0.5
74.02468	0.7
75.00879	2.0
76.04787	0.4
79.95339	0.4
82.80730	0.4
83.01401	2.0
85.02951	15.5
86.03297	0.7
87.00874	3.8
89.02441	14.2
93.03477	0.5
95.01385	1.5
96.00922	0.7
97.02946	0.8
98.02440	0.5
99.00876	2.3
99.04488	0.5
101.02440	15.3
106.04384	0.4
111.00906	0.8
113.02449	9.3
113.03610	0.9
114.05566	0.8
116.05061	100.0
117.05402	4.3
119.03496	6.7
119.05013	1.3
128.03601	0.8
128.05066	18.0
129.01947	0.8
129.05420	0.8
130.06625	11.3
131.03523	1.4
131.07031	0.8
132.04565	2.6
140.05023	0.7
143.03477	1.2
144.04549	2.8
146.06108	1.3
154.06558	0.7
156.04605	0.8
156.08179	7.7
157.05356	5.0
158.06108	87.3
159.02971	2.2
159.06451	6.3
161.04555	16.0
162.04826	0.8
166.06639	2.6
170.06071	2.0
172.04051	4.6
172.07692	0.6
173.04541	0.9
179.05605	1.7
180.06635	1.0
184.07664	14.6
185.07864	0.8
186.05615	1.2
191.05574	1.3
200.07320	0.6
202.08705	0.9
210.05586	12.2
211.05905	1.5
221.06647	1.7
228.06609	0.6
246.07671	6.3
247.08109	1.0
255.88844	0.6
291.07178	1.2
303.88824	0.6
308.50378	0.5
320.11334	2.2
364.14093	2.5
373.13937	1.2
408.12885	24.6
408.19028	1.6
409.13068	3.1
409.20816	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	407.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23371	0.6
59.01372	1.0
61.98816	0.6
62.53790	0.6
70.39822	1.3
72.53680	0.6
74.09932	0.6
74.82239	0.6
78.95904	100.0
79.97899	0.6
85.02950	40.6
86.03276	1.0
96.96963	6.0
98.20002	0.8
129.01945	45.9
130.02272	1.5
150.98030	1.5
152.99583	84.6
153.99947	1.9
171.00636	53.1
172.00931	1.2
277.21744	5.3
278.22101	0.7
325.18393	1.5
407.21918	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	407.2204
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
54.01572	0.3
61.52325	0.3
69.45835	2.8
69.92867	0.4
78.95904	100.0
80.30081	0.3
83.80774	0.4
91.77864	0.3
96.96964	6.6
128.13547	0.3
144.42039	0.4
150.98047	1.7
152.99586	82.4
153.99925	1.6
171.00638	50.2
172.00972	0.6
183.96759	0.4
217.46671	0.3
279.26917	0.3
321.28134	0.5
325.18472	0.7
363.29187	0.8
407.22028	5.6
407.27924	1.1
408.22424	1.2
408.28214	0.5
409.20883	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95710	0.4
69.88297	1.5
78.95904	100.0
96.96967	8.7
98.19990	0.6
135.84778	0.3
147.31747	0.3
150.98009	1.5
152.99586	86.5
153.99927	1.4
171.00641	63.3
172.01022	0.7
173.86710	0.3
181.00885	0.3
407.21915	2.3
416.38284	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2201
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
52.44416	0.4
58.35068	0.4
64.62891	0.4
68.52045	0.5
71.52695	0.6
78.95901	100.0
93.05418	0.4
96.96957	8.2
127.16728	0.4
150.98007	1.3
152.99579	83.3
153.99930	1.7
164.92262	0.5
171.00633	61.2
172.01035	0.8
407.21991	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	407.2075
Annotation	Querciformolide A
Peak:m/z	Relative Intensity
59.01385	16.1
61.98833	4.2
68.57011	2.6
71.01382	59.9
71.53975	3.1
78.95905	4.6
80.10477	2.1
83.47742	2.8
115.00375	100.0
125.09704	3.7
150.48244	2.3
199.09692	3.6
215.81113	2.6
219.38480	2.7
247.83182	2.7
291.19690	5.1
309.20645	8.1
315.15326	4.1
319.22604	3.9
345.20657	3.0
347.18063	2.5
363.21710	13.0
407.20657	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	407.2072
Annotation	Nigakilactone F
Peak:m/z	Relative Intensity
57.01101	1.7
59.01384	13.1
61.84291	1.7
61.98809	4.0
69.16109	17.4
71.01384	62.2
78.95914	2.1
89.28812	1.7
107.08652	2.4
115.00375	100.0
116.00717	3.2
125.09722	4.3
134.61520	2.2
171.00743	1.7
171.10300	2.4
178.92740	1.9
213.30463	1.7
243.33752	1.7
248.04497	1.9
291.19623	6.3
307.19028	1.9
309.20639	10.3
319.22714	4.0
345.20792	4.9
351.23438	1.9
363.21790	13.4
407.20703	20.9
408.21063	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	407.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.1
57.04382	1.5
58.02960	2.1
59.01107	2.9
59.01381	35.9
60.46810	1.7
61.98835	15.9
64.18137	1.6
66.39457	1.9
70.29815	1.6
71.01379	18.5
71.02526	1.8
72.00907	5.4
72.99341	4.0
73.02954	3.6
73.04069	37.4
74.02472	42.8
74.99060	2.5
75.00858	2.1
83.01383	2.7
85.02971	7.6
85.04084	2.1
86.02487	6.9
87.00887	2.2
89.02466	7.4
93.03454	2.9
96.00947	2.3
96.55035	1.6
97.04100	3.7
98.02471	4.0
99.00898	2.7
99.05640	2.4
101.02438	11.0
104.03538	25.1
110.66439	1.8
112.02767	8.6
113.02478	7.5
113.03550	4.7
116.05077	5.3
116.07205	2.9
119.03512	2.9
119.05005	13.1
124.02778	2.4
127.08768	3.7
127.49133	1.7
128.03557	6.5
129.03899	2.1
129.10338	14.4
130.08762	3.5
131.05002	2.0
139.05130	2.0
139.08792	7.6
140.07173	4.4
141.10390	6.9
143.04630	7.4
144.05034	3.3
146.06143	7.8
150.03210	2.7
154.07481	2.0
155.08215	9.1
157.05362	2.0
157.08681	3.1
158.06139	5.5
161.04547	4.0
163.04022	4.7
164.36760	1.7
165.10359	4.7
166.08740	6.7
167.08272	6.3
170.88431	1.6
173.09372	6.1
180.06656	21.3
186.05618	1.6
202.12419	4.8
203.08276	1.8
207.20769	2.2
209.09421	2.6
220.10985	4.5
221.09300	2.3
226.12009	2.0
228.10294	18.9
229.10672	2.1
233.00938	1.8
239.37766	1.7
249.16185	3.8
259.14548	7.8
271.14435	10.3
272.08820	3.8
273.09222	2.5
293.15103	1.9
302.15070	2.5
320.16168	6.3
345.19193	10.6
347.17249	2.1
373.14066	16.9
374.14441	2.0
377.18253	44.6
378.18695	5.7
390.16974	10.4
407.19440	100.0
408.19958	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	407.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04599	7.0
51.94292	7.2
58.48779	7.7
59.01380	100.0
60.38612	6.7
61.98833	54.2
71.01378	30.0
71.54843	14.1
73.02940	11.3
84.08372	7.5
85.02943	10.3
87.00898	8.7
93.03449	9.8
99.00937	12.3
101.02435	19.8
113.02502	7.3
115.00391	11.5
132.80362	7.3
161.09633	7.8
161.18219	8.0
167.88853	7.2
173.04489	9.1
191.05595	18.3
242.56160	8.1
277.11270	7.2
309.12442	7.9
392.06519	7.4
407.22891	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42943	7.4
59.01381	100.0
61.98821	69.9
69.28920	75.3
70.12904	8.2
71.01388	21.7
73.02939	12.5
74.93884	8.0
83.01392	8.9
85.02932	14.1
93.03483	9.7
101.02444	24.9
126.99059	9.0
129.99905	8.9
173.04591	14.6
179.07993	8.3
191.05562	19.3
246.22815	8.9
407.22711	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83699	10.5
59.01386	16.8
60.78443	10.5
61.98832	100.0
65.55255	9.3
70.52680	22.5
70.67324	11.1
74.03883	12.3
86.72205	9.8
103.58137	10.9
139.47018	11.4
157.62440	9.5
171.10272	16.0
177.71722	10.4
204.35678	12.0
257.61960	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	407.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01104	2.9
59.01377	28.9
61.98829	37.0
66.19643	2.5
66.97768	2.4
71.01382	59.7
71.02508	5.3
71.52958	3.0
72.99316	3.2
73.02930	3.3
73.03684	2.8
73.04066	37.3
85.02934	6.8
87.00893	2.9
87.05631	25.7
88.04040	51.0
89.02427	6.1
99.05635	4.4
101.02422	4.1
108.03297	3.3
109.04069	5.8
109.06578	2.7
113.02432	4.6
113.03527	3.3
113.07165	3.0
115.00365	77.9
116.05069	16.8
124.05136	3.0
125.05923	4.5
126.06716	10.7
127.05082	8.9
128.03522	3.5
131.08237	7.1
132.02097	3.8
132.03030	50.5
135.32509	2.2
144.07790	100.0
145.06194	3.6
145.08102	3.4
146.06105	10.7
147.04527	6.5
147.06369	2.3
156.08180	3.1
158.06075	9.3
161.04550	3.2
163.08734	3.6
164.03992	2.7
164.07135	12.4
167.05733	6.8
174.09024	3.0
182.08064	30.3
194.46994	2.2
199.08765	9.4
200.07224	18.9
200.08855	4.1
216.11415	11.0
217.11673	3.1
218.08226	4.4
234.12534	2.8
252.29430	3.3
255.19417	2.3
273.13596	46.1
274.13953	5.8
291.11481	4.3
291.14609	65.6
292.12970	90.2
293.13190	6.9
363.16742	18.2
372.11935	3.0
407.15588	98.7
408.16290	12.1
408.22351	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	406.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02967	10.9
71.22794	4.2
74.02472	27.6
82.02992	5.5
86.02477	11.0
87.05634	5.7
97.04067	2.1
99.05647	22.3
101.07191	4.4
102.05596	4.8
109.04085	2.6
111.05611	2.8
112.04044	2.6
123.05661	3.4
125.03569	4.3
127.05146	3.7
128.03543	67.6
133.06920	16.6
135.05617	6.8
137.07271	2.5
141.06647	2.6
143.04625	100.0
145.06174	3.9
146.04619	10.4
153.06660	5.2
166.09831	5.2
167.04543	3.4
167.08217	7.5
170.03302	3.9
171.04120	2.5
179.04614	28.7
181.06189	2.8
185.05698	3.0
192.07863	2.4
197.05687	4.4
210.08852	20.6
228.09842	2.2
254.07835	50.1
255.07944	2.2
272.08881	51.4
273.09201	3.5
277.12274	5.9
388.15701	9.0
406.11115	3.7
406.16495	57.7
407.16855	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	406.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	17.1
69.88205	5.7
69.88602	3.4
71.83652	1.7
74.02479	24.0
81.04588	2.0
82.02982	5.6
86.02484	12.4
87.05627	5.3
90.44283	2.0
97.04071	3.2
99.05647	23.7
101.07204	4.6
102.05591	6.8
109.04065	7.4
111.05681	2.7
112.82915	2.2
123.05634	2.6
125.03532	4.4
127.05113	5.8
128.03542	64.0
133.06917	16.4
135.05638	8.9
141.06679	2.5
143.04626	100.0
144.04999	2.1
145.06142	4.1
146.04596	7.8
153.06696	7.8
166.09822	6.1
167.04601	4.0
167.08209	6.6
171.04024	3.6
179.04623	26.0
185.05605	2.7
197.05624	6.5
210.08772	19.2
211.09048	2.4
254.07799	49.6
255.08194	4.4
272.08850	57.8
273.09229	3.8
277.12177	6.0
294.56665	2.4
388.15350	6.2
406.16501	54.0
407.16846	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	406.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04484	0.6
50.47681	0.5
57.03434	0.5
59.01377	8.5
61.98830	100.0
63.99239	0.7
71.01381	2.9
71.51649	0.5
74.02493	0.8
78.77563	0.6
85.02964	1.0
87.00884	0.6
88.04037	0.6
89.02439	2.6
101.02438	2.5
113.02464	1.3
119.03561	0.7
128.03584	1.6
137.06161	0.5
139.99371	0.8
143.04651	1.2
144.07851	0.9
167.10741	0.7
181.05040	1.0
245.04512	0.7
251.47743	0.5
272.08994	1.2
292.13126	0.7
343.10599	0.6
347.17224	1.0
406.12378	0.7
406.17331	1.6
407.19681	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77618	0.6
59.01378	100.0
60.01718	1.5
61.98827	10.0
66.97912	0.6
69.03456	3.2
69.43424	3.0
69.43827	1.1
71.01378	5.6
73.02942	1.2
74.14675	0.6
79.01899	1.4
83.01395	1.3
85.02956	2.6
89.02467	1.8
91.45710	0.7
93.03456	1.1
95.01395	1.0
95.03978	0.5
97.02964	2.1
99.00869	0.8
101.02449	4.5
107.01371	4.1
109.03010	0.8
113.02464	2.4
119.03547	0.9
120.01231	3.3
123.00916	1.0
125.02438	3.0
138.93684	0.7
151.00343	5.7
153.01891	0.8
159.03008	0.8
161.04593	1.8
163.03999	1.1
170.97116	0.6
177.01865	0.7
242.05847	6.1
243.06564	3.7
264.09177	0.5
268.83072	0.5
297.06284	1.1
303.38290	0.6
345.19067	4.8
346.19766	1.0
391.78845	0.6
405.12268	1.0
405.20917	3.6
406.22531	0.7
406.96414	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.9
57.03446	1.9
58.00595	3.1
59.01378	100.0
60.01710	1.8
61.98829	7.6
62.25358	0.5
68.64245	0.6
71.01380	62.8
71.52720	0.8
72.01731	1.0
72.99311	4.9
73.02943	2.7
74.02472	1.5
83.01377	2.8
85.02953	11.7
85.12201	0.5
87.00886	3.6
89.02442	76.3
90.02789	1.9
91.07984	0.5
93.03471	2.2
95.01374	3.5
96.04568	0.6
99.05711	0.7
101.02443	33.1
102.02787	1.2
111.00898	0.6
111.08159	0.6
112.04027	0.5
113.02447	24.4
114.02818	0.6
118.36469	0.7
119.03503	32.3
120.03854	1.2
124.04044	0.8
125.03564	0.9
125.06111	0.9
128.03537	2.1
131.03532	3.6
133.06926	1.2
135.05608	0.8
139.05206	0.7
143.03514	3.8
143.04631	2.1
149.04582	3.1
154.66490	0.7
155.08276	0.7
161.04561	4.2
165.06752	0.7
173.04561	2.6
174.85445	0.7
177.03487	0.7
177.89197	0.6
179.05640	6.3
183.10271	2.2
191.05605	0.7
191.80795	0.6
209.05838	0.7
213.01901	0.7
225.05069	1.3
243.16063	1.2
253.04633	4.2
254.07906	0.7
311.10406	0.9
329.11514	0.9
352.32373	0.7
360.27594	0.6
405.13309	1.4
405.21582	3.0
406.16306	0.8
406.21570	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2128
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
52.37510	1.0
55.01882	1.7
55.75094	1.0
57.03447	1.4
58.00590	3.3
59.01380	100.0
61.98829	9.1
71.01382	52.1
71.54691	1.4
72.99318	3.1
73.02946	6.4
83.01382	3.1
85.02941	9.4
87.00893	3.9
89.02446	58.1
90.02761	1.4
95.01398	4.2
99.00896	2.7
101.02448	32.5
105.83767	1.1
109.21416	1.5
113.02460	20.6
118.65315	1.1
119.03512	24.9
125.09704	2.3
128.03537	1.5
131.03516	4.2
143.03496	5.1
149.04530	2.7
161.04581	11.5
163.11317	1.3
165.12860	6.1
179.05608	16.5
180.05899	1.1
181.12395	3.3
181.64085	1.1
183.10353	2.3
191.05591	1.6
197.11761	1.5
199.13400	4.8
207.10141	1.9
221.06671	2.3
225.11353	5.8
242.11130	2.0
243.12428	30.0
243.16049	7.0
244.12814	2.7
244.16299	1.6
248.47670	1.3
255.16185	1.3
285.13309	1.3
357.92416	1.1
405.17096	2.0
405.21289	36.5
406.21774	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	405.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77618	0.6
59.01378	100.0
60.01718	1.5
61.98827	10.0
66.97912	0.6
69.03456	3.2
69.43424	3.0
69.43827	1.1
71.01378	5.6
73.02942	1.2
74.14675	0.6
79.01899	1.4
83.01395	1.3
85.02956	2.6
89.02467	1.8
91.45710	0.7
93.03456	1.1
95.01395	1.0
95.03978	0.5
97.02964	2.1
99.00869	0.8
101.02449	4.5
107.01371	4.1
109.03010	0.8
113.02464	2.4
119.03547	0.9
120.01231	3.3
123.00916	1.0
125.02438	3.0
138.93684	0.7
151.00343	5.7
153.01891	0.8
159.03008	0.8
161.04593	1.8
163.03999	1.1
170.97116	0.6
177.01865	0.7
242.05847	6.1
243.06564	3.7
264.09177	0.5
268.83072	0.5
297.06284	1.1
303.38290	0.6
345.19067	4.8
346.19766	1.0
391.78845	0.6
405.12268	1.0
405.20917	3.6
406.22531	0.7
406.96414	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06803	0.7
55.01868	1.1
57.03450	1.9
58.00590	2.2
58.02976	2.8
59.01381	100.0
61.98840	8.1
63.99264	0.9
70.97993	0.7
71.01380	48.5
71.54197	1.6
72.00896	1.0
72.99309	4.9
73.02937	3.2
74.02476	7.0
83.01373	2.2
85.02943	10.3
87.00865	3.0
89.02446	64.4
90.02768	0.9
95.01382	3.0
99.05617	4.2
101.02440	25.3
102.02765	0.9
110.03658	1.2
113.02455	18.9
119.03511	25.3
123.84071	0.9
128.03595	1.3
130.24678	0.9
131.03513	2.9
131.04562	1.6
143.03499	3.5
143.04594	15.9
149.04535	2.2
153.01964	1.2
161.04541	4.6
173.04561	1.2
177.01845	1.8
177.03391	33.8
178.03621	1.4
179.05661	5.4
183.06543	1.8
191.05542	1.1
209.11929	0.9
225.11360	1.0
243.12347	4.9
243.15985	1.4
258.70825	0.9
329.11462	1.4
329.82004	1.0
405.12622	1.0
405.17014	2.1
405.21890	4.7
406.16144	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	405.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79129	0.6
57.03437	0.6
58.00590	1.6
59.01377	100.0
60.01707	1.3
60.50797	0.6
61.98831	7.4
64.45430	0.5
65.09837	0.6
71.01379	20.2
71.05025	0.8
72.01714	0.8
72.99311	1.8
73.02972	1.0
76.23541	0.6
83.01362	0.8
85.02936	4.0
87.00874	1.4
89.02442	29.2
93.83858	0.6
95.01360	0.9
97.02972	0.9
99.00894	2.1
101.02445	12.4
113.02454	8.4
114.62910	0.6
119.03491	9.0
125.02439	0.6
125.09731	0.9
130.08762	0.8
131.03551	1.0
135.98454	0.5
143.03505	1.4
149.04590	0.9
158.45552	0.6
161.04541	2.3
163.11298	0.7
167.05481	0.7
179.05667	4.5
181.12373	1.2
183.10252	1.2
199.13443	2.4
207.10252	3.4
223.13492	0.7
225.11304	8.4
233.16838	0.6
243.12358	25.8
244.12746	1.7
267.12549	0.9
297.92038	0.6
298.62976	0.7
341.98618	0.7
365.65753	0.7
378.38055	0.6
405.11124	3.3
405.16998	1.6
405.21606	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52762	0.9
57.03460	1.1
58.00561	1.4
58.02986	1.8
59.01381	100.0
60.01706	1.1
61.98827	11.7
69.53339	4.3
69.53746	2.4
71.01379	12.8
73.02951	4.6
74.02467	3.3
85.02959	5.9
86.02484	1.3
87.00874	2.4
88.04073	1.0
89.02442	15.1
93.03447	2.5
98.20663	1.9
99.04523	1.1
99.05643	3.0
101.02460	10.3
102.05599	1.3
103.04008	7.7
111.02080	1.3
113.02444	3.0
119.03520	4.6
128.03546	10.1
129.10397	1.1
133.06964	1.4
137.09680	1.5
143.04614	7.4
145.05057	1.5
145.06155	1.2
146.04565	1.5
163.06142	7.6
173.04619	2.0
176.01787	1.3
179.04626	2.4
181.08665	1.9
191.05614	2.1
210.08728	1.5
213.01981	1.5
225.05106	1.4
253.04588	2.2
254.07790	5.0
272.08884	4.4
307.80426	1.0
345.15451	11.1
346.15945	1.3
354.05182	1.1
386.18304	1.1
388.15710	1.1
405.13074	2.3
405.17645	3.1
406.16055	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	405.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.9
57.03448	1.3
59.01381	13.0
60.68258	0.7
61.52790	0.7
61.98841	5.2
61.99104	1.0
62.14577	0.7
62.37866	0.7
69.51102	0.8
69.74984	5.1
71.01385	10.3
71.05018	3.7
72.99406	0.8
73.02944	2.8
83.01317	0.9
85.02954	4.4
89.02445	3.9
97.02949	1.8
97.06606	0.8
99.00882	8.8
101.02437	8.1
103.31408	0.9
109.06535	0.9
113.02428	3.1
118.06631	1.0
119.03459	1.8
125.09715	3.9
125.44955	0.7
126.80905	0.7
127.05082	2.6
130.08728	2.6
139.11276	1.7
147.04517	1.6
155.14383	1.6
161.04601	1.5
162.05569	1.3
163.11293	4.9
164.07152	5.3
180.10272	1.6
181.12338	16.4
182.12689	1.8
183.10249	1.9
183.13872	3.6
199.13390	44.0
200.13707	3.0
207.10251	17.2
208.10596	1.7
214.08810	1.1
222.12422	2.3
225.11305	31.3
226.11603	3.7
227.12798	1.1
243.12360	100.0
244.12700	6.8
257.13889	1.2
267.12311	4.5
285.13422	9.9
315.14362	1.6
345.15573	5.7
361.18613	11.2
388.18842	5.4
405.13010	1.7
405.17426	19.9
406.19684	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	405.168
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98536	2.2
61.98837	30.8
70.62803	4.7
71.01392	11.8
76.01894	1.4
80.56499	1.4
82.15527	1.6
85.02938	3.9
87.92569	1.7
88.88603	1.5
89.02438	11.4
101.02475	8.1
111.02935	1.4
113.02438	4.3
119.03503	5.7
127.19547	1.5
130.08702	3.6
146.07216	1.5
159.89363	1.7
161.04509	2.7
169.08675	2.9
179.05585	2.2
236.32361	1.5
243.12120	2.3
345.19150	3.3
405.16928	3.8
405.21606	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	405.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70403	1.4
59.01380	100.0
61.98540	1.8
61.98835	25.8
70.50458	5.0
71.01378	12.1
73.02952	1.8
75.00854	2.2
85.02970	4.9
85.90176	1.4
89.02454	12.9
101.02440	7.4
113.02444	4.2
119.03485	4.4
119.37824	1.4
161.04518	2.9
169.08691	4.3
177.08121	1.5
188.01129	1.7
198.06908	1.5
233.22862	1.7
302.93185	1.6
345.19073	2.2
405.12042	1.5
405.16745	2.3
405.18185	1.6
405.21533	10.7
406.18240	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	405.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.7
59.01377	20.5
61.98816	1.9
63.10538	0.4
71.01373	2.5
71.05006	1.1
71.30951	0.7
73.02932	1.2
80.20056	0.5
83.01349	0.5
83.05046	0.5
85.02948	1.5
89.02438	1.1
97.02936	1.5
99.00884	8.0
101.02434	1.5
113.02495	2.3
115.52374	0.5
119.03548	0.7
125.09698	2.1
139.11272	5.1
156.28874	0.4
161.04552	0.6
163.11305	2.6
181.12326	9.5
182.12685	0.7
183.10248	6.7
184.10547	0.5
199.13426	4.6
207.10249	12.2
208.10571	0.8
208.36035	0.4
223.13380	1.2
225.11311	28.7
226.11690	1.7
243.12361	100.0
244.12706	8.5
249.11501	0.4
258.96823	0.5
267.12469	2.2
285.13522	2.5
405.12488	0.7
405.17285	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	404.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65589	5.1
61.98830	100.0
69.87085	14.2
69.87501	22.3
78.49504	5.4
80.91707	5.8
82.21922	7.0
84.33296	5.7
87.32436	5.6
90.25285	5.0
130.08739	36.4
146.03549	6.2
158.48955	5.7
322.20099	28.5
404.21298	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	405.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70403	1.4
59.01380	100.0
61.98540	1.8
61.98835	25.8
70.50458	5.0
71.01378	12.1
73.02952	1.8
75.00854	2.2
85.02970	4.9
85.90176	1.4
89.02454	12.9
101.02440	7.4
113.02444	4.2
119.03485	4.4
119.37824	1.4
161.04518	2.9
169.08691	4.3
177.08121	1.5
188.01129	1.7
198.06908	1.5
233.22862	1.7
302.93185	1.6
345.19073	2.2
405.12042	1.5
405.16745	2.3
405.18185	1.6
405.21533	10.7
406.18240	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	404.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
61.54196	0.4
61.98829	100.0
62.72403	0.4
65.97077	0.4
69.32600	0.4
69.80418	1.5
85.02964	0.3
93.06319	0.4
201.98450	0.5
217.98033	0.4
247.70168	0.4
385.76749	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	8.1
59.58775	1.4
61.98830	100.0
70.49751	1.1
71.01376	3.4
73.02946	3.8
83.01415	1.1
89.02462	2.1
94.12441	1.1
97.03577	1.1
101.02444	4.1
183.13840	1.2
194.70572	1.3
222.32846	1.0
243.12680	1.2
310.09665	1.1
363.20291	2.0
366.54282	1.1
393.20346	1.3
404.17169	1.5
405.20993	2.3
405.25592	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.32375	0.2
62.98518	0.3
70.64319	0.5
70.64648	0.2
80.61308	0.2
97.44856	0.2
97.54111	0.2
99.47212	0.2
101.48806	0.2
112.91933	0.2
129.70818	0.2
147.42163	0.2
279.59824	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	9.5
61.98829	100.0
71.01380	5.4
71.51615	0.6
73.02950	0.7
74.02485	1.4
83.01411	0.5
85.02970	1.5
86.02492	0.5
86.44474	0.5
87.00882	0.7
87.05606	0.5
89.02445	5.8
95.29568	0.5
96.66192	0.5
101.02436	3.1
109.02966	0.9
111.00977	0.6
113.02477	2.5
114.84468	0.5
119.03529	0.8
127.05133	0.6
128.03520	0.7
135.04506	7.6
155.01724	0.6
157.07286	0.5
161.04584	0.7
161.08203	1.1
166.04990	0.5
179.03482	12.3
179.04950	0.7
180.03786	0.5
191.05655	0.9
215.18044	0.5
271.08350	0.8
306.07791	0.6
323.13403	1.4
341.08887	3.3
345.11105	0.9
382.14725	0.6
405.17642	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	403.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69926	0.5
59.01379	0.5
61.98828	5.6
63.40638	0.4
68.04594	0.4
69.46609	3.4
78.95904	71.3
88.98822	0.5
93.03447	0.4
96.96959	5.4
100.53911	0.5
150.98038	1.4
152.99586	100.0
153.99922	1.9
171.00648	3.0
236.46104	0.4
244.10632	0.5
249.18593	1.4
254.69327	0.5
403.18781	9.1
404.19241	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15336	0.2
50.63380	0.2
55.72364	0.2
59.01379	0.2
60.55513	0.2
61.67773	0.2
61.98833	3.9
69.99638	0.5
70.00043	0.6
78.95901	55.5
80.50269	0.2
96.96957	7.2
109.11147	0.2
116.92826	0.3
150.98018	2.0
152.99580	100.0
153.99922	2.0
166.93356	0.2
171.00652	4.4
249.18633	0.6
303.04651	0.3
347.90149	0.2
403.18860	4.3
404.19263	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.161
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
57.03450	2.7
59.01378	100.0
59.96058	1.0
60.01725	1.2
61.98830	50.1
69.29417	9.3
71.01380	17.1
73.02948	3.3
74.02457	2.3
83.01382	2.1
85.02946	4.6
87.00885	1.9
88.04051	1.2
88.77536	1.1
89.02447	11.4
95.01376	1.7
99.00914	1.3
99.04523	4.8
101.02445	7.5
113.02454	7.7
119.03544	5.2
128.97716	1.1
130.08777	1.2
133.10257	1.9
135.08162	2.4
137.09726	3.7
143.55049	1.0
150.70206	1.1
160.03955	1.3
161.04646	2.6
161.09683	2.8
179.05612	1.5
179.10767	3.9
181.08682	11.0
193.12260	1.5
197.11818	40.1
198.12134	2.6
201.76463	1.3
223.09804	3.2
227.12901	1.4
229.38361	1.1
241.10811	84.8
242.11172	6.7
283.11542	1.5
287.15002	6.9
359.12311	1.8
403.11282	2.7
403.15936	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	403.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71984	1.0
57.03439	0.8
59.01378	55.1
60.01714	1.2
61.98828	9.8
69.03452	1.9
71.01383	10.7
71.82425	0.9
72.99303	1.0
97.06584	0.9
98.20661	2.1
99.04494	2.0
101.02497	1.6
101.20199	0.9
115.00367	7.1
120.46789	0.9
122.06097	1.0
125.09690	1.3
133.01410	3.0
136.62115	1.0
148.04056	1.2
151.11241	1.1
160.04016	1.2
161.09698	1.5
165.12869	1.3
175.02667	2.4
176.03532	4.1
179.10741	5.4
182.22757	1.1
184.90211	1.0
197.11832	20.6
198.12202	1.7
204.03032	4.1
207.13863	2.1
209.11807	6.3
225.15010	3.5
227.08286	2.0
227.12872	30.2
235.04941	0.9
241.10802	37.7
242.11108	3.4
243.11330	1.9
251.12878	1.8
255.07759	1.4
268.08630	1.3
269.09274	2.8
269.13968	8.7
270.14362	1.3
271.07159	1.8
281.09259	2.0
283.11179	6.5
287.14987	100.0
288.15277	9.2
294.06549	2.1
297.08258	0.9
299.06952	1.3
299.10315	1.2
309.08896	6.9
327.09811	9.0
341.11389	2.3
343.13919	4.3
353.07935	1.2
367.95264	1.1
371.08783	4.1
385.10394	2.6
403.11429	16.2
403.15884	1.8
403.20096	1.8
404.11487	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	403.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36958	0.9
59.01380	57.5
61.48450	0.8
61.98828	8.3
67.15116	0.8
70.24977	3.2
71.01376	8.5
71.05018	1.4
73.02944	1.0
78.14294	0.9
80.98058	0.8
85.02955	0.8
88.49287	0.9
91.77924	0.8
94.38830	0.8
99.04504	2.4
115.00375	7.4
130.08675	1.0
133.01422	2.5
140.99919	0.9
147.03130	0.9
148.04031	2.1
163.11186	1.1
163.89154	0.9
165.12854	1.2
167.10713	1.1
174.05629	1.0
175.02760	1.7
176.03456	2.6
179.10776	2.9
191.05711	0.9
197.11832	12.0
198.12164	1.0
204.02980	3.4
207.13922	2.0
209.11900	5.3
223.09712	0.9
225.14951	4.4
227.08278	1.7
227.12871	32.3
228.13170	2.8
241.10817	23.6
242.11111	1.9
243.11386	1.6
251.12863	1.0
253.05872	1.0
255.07806	1.5
255.11208	1.0
269.09222	2.4
269.13913	7.1
271.07138	1.2
281.09274	2.0
283.11371	3.7
287.15005	100.0
288.15387	10.7
294.06461	2.3
297.05179	1.1
299.06879	0.8
309.08737	6.2
327.09802	6.9
341.11398	1.3
343.13959	2.7
353.07620	1.2
356.26776	0.8
359.12521	2.4
371.08759	2.8
372.07214	0.9
385.10007	0.9
394.81650	0.9
403.11469	13.1
403.15878	2.0
403.20032	2.1
404.11188	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	402.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	85.4
70.62898	70.9
71.54153	87.4
71.54567	100.0
84.66652	71.3
110.50525	63.9
231.58951	73.9
290.85495	72.7
313.31470	81.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	69.3
61.98830	17.7
65.37585	0.9
69.03446	3.4
71.01392	12.1
71.05017	2.7
71.52482	1.9
72.99322	1.2
81.03464	1.0
83.05014	1.5
84.22405	1.0
85.02950	1.4
99.04487	1.9
101.02443	1.5
107.12894	1.0
108.04576	2.1
109.49126	1.1
113.02467	1.7
115.00372	9.1
122.06133	2.4
125.09765	2.5
128.07216	1.0
132.04555	3.1
133.01414	4.0
134.06114	1.2
143.04643	1.3
147.03206	1.3
148.04060	3.3
153.12875	1.5
158.07425	1.1
160.04048	1.7
161.09763	1.7
163.11429	1.1
165.12877	1.7
175.02751	6.3
176.03516	7.7
179.10806	7.3
179.23433	1.1
191.05695	1.3
197.11833	43.7
198.12129	3.3
203.02130	1.3
204.03024	9.7
205.83951	1.1
207.13913	2.3
209.11774	7.6
211.13422	1.4
212.05858	2.0
223.09805	1.8
225.14966	3.3
227.08284	5.4
227.12894	33.8
228.13199	2.0
234.03946	2.5
239.08354	1.5
241.10826	82.2
242.11127	7.0
243.07658	1.6
243.11237	5.7
251.13029	1.3
253.06149	3.5
253.09842	2.1
254.06741	1.9
255.07700	3.6
255.11327	2.0
266.07263	1.3
268.08432	2.8
269.09424	6.7
269.13809	8.4
271.07202	4.4
271.11093	1.5
281.09229	4.3
283.07657	2.0
283.11218	9.5
287.14999	100.0
288.15323	11.0
291.19974	1.2
293.05603	1.6
294.06497	3.8
297.05267	4.7
299.06863	1.5
299.10379	3.0
309.08707	10.3
310.08957	1.9
312.07498	1.7
313.12512	1.5
327.09833	15.3
328.10242	1.2
341.11432	4.9
343.10080	1.4
343.13849	6.0
353.07916	4.3
359.12497	2.8
371.08774	5.9
382.14606	2.3
385.10431	5.0
403.11441	45.9
403.16006	3.7
404.11716	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	402.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73049	1.1
59.01380	7.2
61.98830	100.0
70.22345	5.0
71.01377	4.4
72.00896	1.2
74.02471	1.9
80.13729	1.1
98.20609	1.9
128.03510	1.6
133.02905	4.1
177.01926	77.2
178.02223	4.9
223.13383	1.5
243.10014	1.5
311.64554	1.4
339.07077	9.9
397.41516	1.5
402.21298	2.5
403.15924	4.4
403.21692	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	401.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.2
58.00587	1.4
59.01378	74.3
63.13387	0.8
65.92412	0.8
69.18833	8.0
71.01382	35.2
72.01752	1.0
72.99300	2.0
73.02935	1.8
83.01382	3.6
85.02934	8.2
87.00855	1.4
89.02443	29.4
93.74827	0.9
95.01385	2.9
95.88093	1.0
99.00872	1.2
101.02438	23.5
113.02451	12.8
119.03497	11.1
121.02954	46.4
122.03296	1.7
131.03497	1.3
155.28053	0.9
167.10809	1.8
181.06601	3.2
221.15459	11.5
222.15881	1.2
225.05527	1.8
239.16515	1.5
313.07120	14.0
314.07480	1.8
328.12503	1.0
342.25864	0.9
357.06119	4.0
401.08920	13.1
401.21762	100.0
402.09088	1.8
402.22119	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	401.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00621	2.1
59.01377	33.7
61.98816	4.4
70.02966	2.2
71.01382	56.1
73.02932	2.5
73.04068	26.5
74.02474	20.2
82.61898	1.3
85.02959	4.8
87.00864	1.8
87.05643	3.6
88.04038	46.4
89.02443	18.6
89.24914	1.5
93.03460	1.5
95.01365	1.8
96.00899	8.0
97.27399	1.3
98.02483	4.7
101.02444	9.8
109.01698	8.6
109.02953	1.6
109.04022	1.6
110.02442	1.4
110.03609	1.7
111.76355	1.5
112.02742	1.6
113.02460	7.7
113.03552	4.2
114.05578	5.7
115.00372	49.7
115.08779	5.9
116.07184	1.5
119.03493	6.5
124.61327	1.6
125.07233	4.2
126.04305	1.8
127.05109	8.0
127.08714	1.7
128.03519	2.9
129.10338	22.0
130.08760	6.4
131.04602	1.7
132.03035	26.9
138.06857	2.3
139.08733	3.3
140.07079	2.0
145.06221	3.1
151.07683	2.4
153.09181	9.5
155.08281	10.2
165.09114	2.9
166.08714	6.5
167.05766	9.4
169.09837	2.7
172.10928	8.9
173.09331	3.6
177.03377	3.1
179.05634	2.8
180.10208	2.3
183.15125	2.3
185.16591	4.4
187.10826	1.8
193.13470	15.7
194.11906	2.4
194.13713	1.9
201.12337	3.0
203.10794	2.4
210.07715	7.0
210.11237	2.1
210.16119	24.0
211.14517	2.7
221.11850	4.7
223.10806	2.5
228.17148	14.4
239.09189	4.5
239.12790	1.9
242.18806	2.5
256.20297	5.8
267.18237	43.4
268.18509	5.6
281.09622	1.9
285.19312	51.4
286.17493	26.7
287.17993	3.1
307.09570	3.0
322.17886	2.0
341.10736	1.7
357.21457	25.7
358.21689	2.5
363.12070	1.7
365.71890	1.6
366.16666	21.1
367.17004	4.3
383.19437	6.2
401.20380	100.0
402.20947	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	401.1813
Annotation	Spionoside B
Peak:m/z	Relative Intensity
57.03468	0.7
59.01382	8.1
61.98837	1.7
67.16390	0.7
71.01387	5.5
71.52184	0.5
73.02956	0.9
83.05024	1.1
84.50591	0.6
85.02971	2.1
89.01964	0.8
89.02416	3.8
92.85619	0.6
97.06603	0.8
101.02457	1.6
106.04296	0.7
113.02451	3.3
119.03523	0.8
130.08748	0.5
161.04567	1.0
173.04524	1.2
177.12851	6.8
191.05658	1.7
192.05971	0.6
195.13899	100.0
196.14249	7.1
197.11844	0.6
203.10753	1.8
211.13345	0.7
219.13867	0.7
221.11850	1.8
239.12877	79.8
240.13231	6.7
263.12878	3.5
281.14032	2.8
291.80753	0.6
298.20187	0.6
313.11990	1.1
327.21786	0.8
356.58011	0.6
408.57712	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39714	0.6
51.58054	0.5
52.49256	0.6
54.42995	0.6
55.01874	6.7
57.03453	4.7
57.97632	0.5
58.00583	1.5
59.01376	36.5
69.03437	1.0
69.15556	0.7
71.01379	73.5
71.07185	0.8
72.01734	1.3
72.99307	1.7
73.02941	27.6
73.03358	1.3
74.03337	0.6
75.00861	2.1
81.03439	0.9
81.07774	0.6
83.01382	13.9
84.02190	0.7
85.02947	37.5
86.00078	1.0
86.03279	1.3
87.00872	2.8
89.02437	8.4
93.03461	0.6
95.01391	5.9
97.02953	2.4
99.00874	11.1
101.02437	57.9
102.02776	1.1
111.00901	0.7
113.02444	27.1
114.02757	0.9
125.02412	3.4
129.01938	2.2
129.10274	0.8
130.08760	1.6
131.03459	1.4
131.59901	0.6
143.03513	3.9
149.04579	1.2
159.02962	8.8
161.04543	56.3
162.04865	2.0
191.05569	1.1
233.06717	0.9
259.96448	0.6
269.10278	100.0
270.10605	9.2
294.14856	0.7
366.16772	1.0
371.37341	0.6
401.14478	11.5
401.19431	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50461	7.2
59.01382	68.9
61.98833	53.1
70.70921	17.0
71.01393	57.4
85.02959	17.7
89.02451	58.3
97.37044	7.7
101.02441	26.1
113.02428	13.0
115.00391	17.0
119.03492	31.8
121.48251	8.4
133.01468	8.6
168.01437	9.3
173.02957	11.0
176.00522	11.2
179.05571	29.2
191.05573	28.2
199.00870	13.0
201.98454	28.5
230.14563	9.2
301.05133	10.5
327.92264	9.1
341.10831	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.135
Annotation	[1R-(1alpha,4beta,4abeta,7alpha,8alpha,8aalpha)]-4-Bromodecahydro-1,4a-dimethyl-7-(1-methylethyl)-1,8-naphthalenediol diacetate
Peak:m/z	Relative Intensity
57.11426	0.9
59.01374	2.9
61.98822	2.3
63.73166	1.0
67.59412	0.9
67.64630	0.9
70.96519	0.8
71.01367	1.7
73.03006	1.3
87.00912	1.0
93.03454	1.5
120.99641	1.6
133.92563	0.9
160.04033	1.6
173.04550	2.2
188.03551	1.1
191.05598	2.6
198.04276	1.2
211.05057	1.7
212.07137	3.8
213.02747	1.1
213.06551	1.0
224.07408	1.2
225.06801	1.6
226.03790	5.7
227.04689	1.8
227.08177	3.3
237.10265	1.0
239.04401	5.4
239.08296	2.2
240.05098	6.5
241.06145	7.3
242.06615	1.2
251.08273	1.9
251.12511	1.0
253.06265	2.6
253.09799	1.1
254.06877	2.4
255.07703	10.8
256.08340	2.1
265.06387	1.2
265.09708	1.1
266.07257	1.6
267.04108	14.3
267.07712	6.6
268.04700	1.3
268.08304	1.3
269.09460	1.2
280.04895	1.6
281.06012	1.8
281.09296	7.8
282.03015	1.1
282.06406	3.0
282.09436	1.5
283.07114	7.9
291.07782	1.4
293.05765	2.9
293.09320	1.5
294.06342	2.2
295.07294	9.1
299.06619	1.6
309.08786	16.3
310.09009	1.8
315.09726	5.1
337.08307	9.0
341.11343	2.7
369.10870	31.6
370.11252	3.4
401.13510	100.0
402.13821	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76724	3.2
51.77895	3.4
53.65291	3.3
59.01379	42.6
61.98832	100.0
70.29410	6.5
70.29805	7.6
71.01384	30.9
85.02947	4.7
87.00876	7.0
89.02464	28.9
94.95699	14.7
101.02435	12.2
113.02461	9.0
114.05587	4.3
119.03472	9.6
123.33323	4.0
129.72202	3.7
131.08267	12.5
132.07069	3.6
159.01480	7.6
161.04572	3.9
173.10423	4.9
178.97818	10.5
179.05586	14.2
203.99779	4.4
259.04132	4.2
290.02158	5.2
315.04156	7.7
341.10980	36.5
366.17712	8.3
383.20309	8.3
401.10641	7.0
401.21597	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	400.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34911	1.3
58.02975	14.1
59.01380	100.0
60.01713	1.4
60.28311	1.3
61.98835	15.6
70.58150	4.0
71.01382	5.3
74.02463	3.5
77.07480	1.3
83.23090	1.3
85.02975	2.2
88.04037	2.6
91.09288	1.3
94.98076	1.3
95.14943	1.4
96.95997	2.9
99.02716	1.8
101.02445	3.8
106.04269	1.4
109.02939	1.8
113.02428	2.2
115.08784	1.7
119.05030	2.1
127.05128	1.6
130.08740	1.5
139.08888	1.4
161.04562	2.5
178.08734	99.4
179.09094	7.4
195.08141	1.4
221.10065	5.5
238.10950	1.9
267.09860	1.9
313.11230	2.5
346.57187	1.4
383.19598	1.9
400.09586	1.7
400.14404	4.6
400.21957	2.9
401.14688	1.8
401.20108	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	400.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.4
61.98830	100.0
70.50107	1.9
71.01365	0.9
74.02482	2.0
78.95930	0.7
87.00910	2.0
88.04046	1.3
89.02464	1.0
94.10909	0.7
96.00954	1.3
96.96025	1.8
101.02474	0.8
115.00375	0.9
116.07188	1.2
120.01268	0.7
127.05142	1.0
128.03546	2.5
129.10327	1.4
135.04532	2.2
137.02473	1.2
141.51903	0.8
145.06244	0.9
151.00354	0.8
155.08380	1.2
183.11409	0.9
186.12457	1.1
191.05745	1.3
194.08231	2.1
285.19388	1.6
295.08444	0.9
336.35541	0.7
383.20291	1.1
400.15350	1.7
400.22238	3.3
400.26563	1.2
401.10950	1.8
401.21198	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.4
57.03441	1.8
58.00600	1.2
59.01379	29.0
61.98824	1.8
66.03513	0.5
66.19533	0.4
69.03474	0.5
71.01379	23.6
71.02507	0.7
72.99311	1.8
73.02946	0.5
73.04069	1.3
74.02466	0.6
75.00911	0.6
78.95915	0.6
79.87260	0.5
83.01374	1.2
85.02945	5.2
87.00871	3.2
89.02444	26.1
90.02773	0.6
92.70943	0.5
93.03475	0.9
95.01388	1.6
97.06590	0.5
99.00888	1.6
101.02441	12.0
108.08200	0.7
112.07710	0.4
113.01727	0.7
113.02456	7.7
114.05627	0.9
115.08772	50.4
116.07214	1.0
116.09133	1.4
119.03500	8.5
119.90202	0.5
120.01283	0.5
125.07175	2.9
129.10358	2.6
130.08736	72.5
131.03505	0.6
131.09099	2.4
133.05312	0.6
135.03285	0.7
135.04527	3.2
137.09752	0.5
139.08740	1.1
140.07149	1.0
141.10359	1.4
143.03514	0.9
143.11917	2.6
147.04491	1.5
148.05302	9.0
152.07137	2.1
153.09077	0.9
154.09814	0.4
155.08284	4.1
157.73935	0.5
161.04533	0.9
161.09692	0.6
168.09041	4.8
168.11278	0.5
169.09831	1.2
172.10893	5.0
173.04628	0.6
173.09303	0.9
178.05072	6.7
179.05559	1.1
185.16577	1.8
190.05090	2.2
191.05655	2.3
197.16632	0.6
199.16277	0.7
199.18144	14.1
199.19897	0.9
200.18440	1.2
207.11407	0.9
224.17471	0.5
225.16100	1.8
229.22986	0.7
242.18724	3.5
243.17116	6.1
244.47543	0.4
256.20343	5.3
257.20514	0.5
267.18173	0.9
268.16742	1.4
297.10074	3.2
306.09149	0.6
312.12402	24.5
330.75665	0.5
335.93924	0.5
355.27054	2.6
383.74902	0.4
399.26083	100.0
400.14108	2.7
400.26407	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	399.2023
Annotation	Cinncassiol B
Peak:m/z	Relative Intensity
54.51472	0.4
55.01878	2.1
57.03452	1.0
58.00583	1.5
59.01380	27.8
60.01717	0.7
71.01382	18.7
72.99290	1.6
73.02953	3.4
83.01398	3.4
85.02957	8.1
86.00114	0.6
87.00876	1.0
89.02446	9.0
95.01382	1.5
98.20656	1.3
99.00875	1.4
101.02446	11.1
111.00912	0.5
113.02442	5.0
117.72018	0.5
118.42616	0.5
119.03508	2.1
126.23079	0.4
141.12608	0.4
161.04689	0.6
175.14909	0.8
219.13904	1.4
221.15480	2.0
237.14934	6.0
238.15228	0.6
248.06439	0.5
356.19821	0.5
399.20227	100.0
400.20566	13.1
400.25449	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12705	1.1
54.61346	1.4
54.81412	1.6
59.01368	3.4
61.98823	3.6
64.01922	34.1
65.00340	2.3
65.00791	1.3
65.99858	7.9
67.01882	3.1
69.03448	2.7
71.01378	4.5
71.02486	2.6
83.05031	2.5
85.02944	13.4
86.83715	1.4
87.00864	3.7
90.24055	1.4
93.03458	14.1
93.44930	1.4
94.02975	3.6
94.91384	1.4
95.01388	4.2
99.04515	2.1
102.88882	1.8
105.02168	1.8
105.03443	5.4
106.02975	3.9
107.01402	8.8
109.02932	4.0
111.04513	5.2
113.02414	1.4
116.01387	1.6
120.00897	2.2
121.02917	1.7
122.02462	5.4
123.03258	3.0
125.02466	1.6
127.04006	3.7
128.83430	1.3
130.87871	1.3
133.01773	3.9
133.02957	53.3
134.02457	5.0
134.03615	2.3
135.04541	2.9
136.04045	1.6
137.02426	6.0
145.02939	2.0
149.02428	3.7
150.01956	5.5
150.03130	2.1
151.03970	1.6
155.08421	1.8
162.01945	17.1
163.02316	1.9
163.03960	1.5
163.99950	1.8
165.00757	1.5
173.04555	14.7
176.01155	6.6
177.01923	45.3
178.01453	4.8
180.03036	2.9
191.05602	86.3
192.01157	2.2
192.05949	4.0
206.00935	84.6
207.01236	5.5
212.31264	1.5
221.52437	1.6
224.01996	77.3
225.02345	3.9
241.00427	1.4
266.02921	7.9
306.09299	1.9
352.07602	2.1
380.06229	13.4
398.07254	100.0
399.07617	10.4
399.12540	2.1
399.25558	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	398.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21055	0.7
59.01377	3.6
64.01922	39.3
65.00331	4.7
65.02267	0.9
65.35880	0.6
65.99857	5.4
67.01872	2.1
69.03469	0.8
69.58643	4.6
71.01382	1.2
81.03450	0.8
83.05020	1.1
85.02949	13.0
87.00873	3.9
93.03463	7.7
94.02997	4.7
94.03505	0.9
95.01392	4.2
99.04527	1.3
99.61966	0.8
104.02650	1.0
105.02198	2.9
105.03517	1.0
106.02985	3.0
107.01392	16.1
109.02956	1.9
111.04533	2.0
122.02437	3.5
123.00897	1.3
127.04016	3.0
133.01700	5.2
133.02948	10.4
134.02415	2.0
134.03488	1.0
135.00853	1.1
135.04524	2.1
136.00360	0.9
136.04025	1.0
150.02000	6.2
151.00325	0.8
155.03548	0.8
162.01976	2.8
163.03992	0.8
163.99925	1.0
165.00600	0.9
173.04546	4.4
176.01151	4.5
177.01918	6.8
178.01411	5.4
191.05612	93.0
192.05994	4.5
206.00941	100.0
207.01288	6.3
215.05438	2.2
224.02005	11.1
225.02135	0.8
274.24942	0.7
351.07211	6.3
352.07458	1.0
398.07263	55.1
398.72433	0.8
399.07666	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	397.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42558	0.8
56.41682	1.1
57.03442	3.7
58.00570	1.6
59.01377	32.2
61.98831	10.3
67.01865	1.7
68.99806	2.0
69.03425	1.3
70.68243	1.2
70.82191	2.1
71.01382	27.3
71.69025	0.9
72.99310	8.8
73.02953	4.3
73.04062	4.4
74.02469	1.7
75.00875	25.7
78.95913	1.6
83.01401	1.9
83.05029	2.1
85.02951	30.5
87.00872	11.9
89.02441	8.4
93.03468	2.3
95.01376	7.7
99.00881	17.3
101.02451	3.3
103.00398	3.7
103.05524	2.8
109.04078	1.9
111.00864	2.1
113.02453	35.5
114.02767	1.8
114.05605	10.5
115.00387	3.8
117.01926	4.0
119.05039	2.4
127.05151	8.8
128.03531	3.7
129.01952	2.7
130.08716	2.6
133.01425	1.1
137.02470	1.1
145.06190	15.9
147.04520	100.0
148.04869	6.0
157.01402	1.1
161.04544	1.3
175.02487	5.4
183.15044	2.2
191.05582	1.7
193.03603	1.6
199.09764	1.2
208.13438	1.2
227.14006	2.7
231.05074	4.4
249.06151	31.0
250.06371	1.7
260.08286	1.1
268.11847	1.1
296.11404	1.1
296.61865	3.3
306.09296	2.5
335.19418	1.4
337.09222	1.7
337.17752	3.5
340.54532	1.0
362.11450	1.5
379.10275	2.4
379.18875	2.8
380.18927	1.3
394.16370	1.0
397.11392	64.0
397.19745	30.8
397.24619	6.0
398.11835	8.2
398.20038	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	4.0
61.98831	100.0
69.15923	0.9
69.58554	3.5
69.58971	2.5
71.01382	1.3
78.95903	1.4
80.47791	0.8
88.03997	1.3
98.20633	1.3
101.02464	1.1
112.93735	1.4
114.05643	1.4
115.70356	1.0
146.49353	0.9
171.10252	2.4
191.05623	1.3
200.61536	0.9
211.07597	1.2
333.15567	3.7
378.15887	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	396.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16250	0.2
59.01381	0.6
61.98830	100.0
63.99268	0.3
70.55102	0.6
70.55441	0.2
71.01385	0.4
73.02949	0.3
74.02475	0.4
80.08295	0.2
82.32945	0.2
85.02939	0.2
87.00884	0.4
88.87012	0.2
89.02479	0.3
98.18906	0.2
101.02438	0.6
113.02457	0.4
125.48807	0.2
296.10056	0.3
311.22165	0.4
314.24231	0.4
396.19992	3.3
397.13766	0.3
397.20087	0.5
412.34967	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43258	1.3
59.01384	2.1
59.97206	1.1
71.66988	1.3
87.32057	1.7
94.04269	1.6
98.19845	3.2
104.25848	1.2
123.04521	2.7
135.04539	1.4
145.58302	1.4
146.61090	1.5
151.11287	4.3
165.12866	5.1
167.14366	1.3
169.12199	1.4
179.10831	4.2
179.14381	5.2
181.12331	1.5
193.87787	1.3
239.94920	1.6
261.18582	1.8
277.18127	1.8
277.21899	1.7
288.25989	1.5
301.25403	4.8
307.19077	5.4
327.23279	1.3
345.24344	100.0
346.24612	15.2
363.25400	95.3
364.25735	15.5
377.27054	1.8
395.28049	28.2
396.28357	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	395.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18034	0.4
55.93335	0.4
59.01374	1.8
60.63441	0.4
64.37741	0.4
70.39642	0.9
70.40016	0.7
71.01395	0.9
75.00907	0.5
117.01891	0.4
135.02980	0.8
157.36542	0.4
192.11536	0.5
229.61047	0.4
276.63412	0.4
277.21716	100.0
278.22073	12.9
345.24390	3.1
377.27048	3.3
378.27173	0.7
395.24158	1.2
395.28632	2.2
395.32419	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.28
Annotation	12,20-Dihydroxy-19-acetoxy-14-methylenegeranylnerol
Peak:m/z	Relative Intensity
51.39913	0.6
55.01869	2.0
57.90068	0.7
59.01384	1.5
61.98817	1.3
76.67981	0.7
78.95943	1.3
81.07108	4.9
91.59760	0.7
91.99210	0.8
98.19946	2.4
120.05781	0.9
121.06612	0.9
125.01256	1.0
135.11800	2.9
160.83095	0.9
163.11293	30.5
164.11607	2.1
181.12346	2.4
199.13394	40.9
200.13734	2.7
207.10255	2.9
227.20172	3.4
266.29532	0.8
277.21765	1.6
311.16772	1.1
345.24237	3.0
377.26932	2.3
395.28018	100.0
396.28354	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	395.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
60.26836	1.3
71.53367	1.7
75.00918	1.5
78.95916	6.3
81.38451	1.3
117.01904	2.4
135.03003	4.1
136.53777	1.5
152.99547	3.9
222.28746	1.5
227.20149	17.6
228.20457	2.1
241.34402	1.5
277.21716	100.0
278.21979	14.0
308.00766	1.5
311.16919	2.3
320.19101	1.4
391.33704	1.2
395.27963	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	395.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.7
59.01109	1.6
59.01379	21.2
61.98833	7.5
69.03461	10.6
71.01381	17.2
72.99309	6.5
73.02927	1.3
74.02452	3.6
75.00873	18.4
84.02168	1.8
85.02954	24.1
87.00874	7.0
89.02460	6.4
93.59502	1.2
95.01388	6.2
96.96039	1.6
99.00881	10.4
101.02425	3.4
103.00340	2.6
111.00851	6.3
112.01186	1.1
113.02452	100.0
114.02774	3.2
115.00306	1.9
117.01949	2.3
119.03491	1.2
119.04942	1.6
120.01286	1.5
128.03531	2.9
129.01987	1.7
129.10336	1.5
130.33450	1.5
143.03485	2.0
143.04546	2.0
144.04898	1.4
145.04036	2.3
145.05070	21.6
153.01883	2.6
153.31479	1.4
175.02415	2.7
177.99615	2.9
179.85977	1.2
190.74783	1.5
191.05516	1.5
200.33765	1.1
208.98727	1.3
216.62114	1.2
221.25296	1.3
231.04970	1.3
249.06155	16.0
250.06609	1.5
251.06604	4.2
267.07306	9.5
269.07635	2.9
351.17368	4.1
395.11725	43.1
396.11966	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	395.1919
Annotation	Creoside IV
Peak:m/z	Relative Intensity
50.84847	0.3
55.01623	0.5
55.01873	5.5
57.03442	3.7
58.00589	1.3
58.03762	0.3
59.01375	32.1
60.01706	0.5
61.98821	0.5
69.03450	1.1
69.43243	2.0
71.01378	46.5
72.01714	0.8
72.99304	2.0
73.02942	21.8
73.65371	0.3
74.03259	0.3
75.00864	1.4
80.22267	0.3
81.03449	0.6
83.01379	11.7
84.01708	0.3
84.02167	0.4
85.02946	27.0
86.00097	1.5
86.03284	0.7
87.00865	2.0
87.93543	0.3
89.02435	7.8
95.01378	3.3
97.02940	2.1
99.00881	8.9
99.08115	0.6
101.02437	54.7
101.09731	1.0
102.02764	1.5
103.03996	0.4
107.20947	0.3
111.00886	1.1
113.02446	19.8
114.02776	0.4
115.04005	0.7
119.03507	0.6
123.40556	0.3
125.02437	2.4
128.23315	0.3
129.01935	1.3
131.03508	2.0
133.03802	0.2
143.03482	2.2
149.04547	0.8
159.02963	4.1
161.04546	19.3
162.04916	0.5
171.10278	0.6
181.96358	0.3
196.83327	0.3
205.03459	0.3
233.06647	1.0
263.14972	100.0
264.15326	8.5
293.08630	0.6
307.13904	0.4
313.98450	0.3
395.19168	30.0
396.19574	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	395.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98924	0.9
55.01851	0.9
57.03439	2.1
59.01381	16.2
60.88252	1.0
61.98830	11.1
67.01875	1.9
68.99799	2.3
69.03130	1.1
69.03458	16.1
71.01022	1.3
71.01378	19.0
71.65846	0.9
72.99281	4.5
73.02911	1.4
75.00883	16.7
83.01337	1.4
85.02473	1.1
85.02957	20.5
87.00895	7.7
89.02487	4.9
89.95113	1.2
95.01374	4.7
95.04972	1.5
97.06596	7.3
99.00880	9.1
101.02421	1.9
103.00350	2.2
111.00848	3.7
113.02451	100.0
114.02712	2.4
115.00388	1.6
115.07642	2.6
117.01895	2.9
129.01894	2.1
131.03497	1.3
138.05634	1.1
139.00328	2.1
143.03465	1.3
145.05069	22.5
157.01448	1.3
159.06613	8.1
161.04449	1.1
175.02437	3.1
231.04938	4.6
249.06133	34.6
250.06396	2.5
263.07611	1.4
267.07062	4.3
267.26862	1.1
395.11685	40.6
396.12125	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.0
61.98827	5.4
69.03452	1.4
69.70395	4.1
71.01391	4.3
72.99298	0.8
73.02952	1.1
75.00887	0.7
79.95724	4.8
80.96535	2.7
81.03465	1.9
81.48428	0.7
85.02945	4.9
87.00883	1.5
89.02435	1.0
95.01396	2.6
96.96008	32.5
97.06589	0.7
98.19846	0.7
99.00904	1.0
99.96966	0.7
101.02444	2.7
108.02179	17.9
109.02956	35.4
110.03267	1.9
111.00918	0.8
113.02458	4.6
119.04967	1.5
120.01192	0.7
123.00864	1.7
138.97064	2.9
153.01936	100.0
154.02281	5.1
168.79399	0.6
229.96138	1.0
241.00233	26.5
242.00679	0.9
249.06039	0.7
262.04047	0.7
265.62952	0.7
306.03168	1.4
324.04114	1.0
351.04007	3.7
377.01883	1.0
395.02850	40.4
395.11169	1.4
395.15668	1.7
395.19955	0.9
396.03110	4.1
396.12970	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.4
59.01379	24.8
61.98831	97.4
70.74972	4.2
83.05052	1.7
97.02972	2.5
98.20197	1.4
113.09693	2.3
121.10175	1.6
125.09716	1.7
127.11292	1.3
139.11272	15.4
147.11787	3.2
151.39052	1.2
165.12828	3.8
169.01436	1.7
169.12312	1.6
171.10271	17.7
173.26900	1.2
181.12439	2.8
185.11790	2.6
193.08452	22.8
193.12244	3.1
197.11810	5.9
199.13388	3.2
201.11272	1.6
207.09984	3.7
211.13387	9.9
215.10399	6.4
219.10117	1.6
227.68147	1.3
233.11584	48.4
234.11879	4.7
249.13464	2.0
251.11397	2.5
253.09200	2.6
260.46255	1.2
275.20020	2.0
290.37100	1.3
293.12411	5.8
293.21216	14.0
294.12683	1.9
309.20789	1.5
311.22263	100.0
312.22693	13.1
315.19403	5.0
333.20676	6.6
344.05222	1.4
393.22253	14.4
394.18274	2.7
394.22830	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	393.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54773	17.8
69.54498	100.0
73.07874	17.8
77.82618	19.1
123.51735	17.9
202.04582	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79137	0.2
59.01382	0.6
61.98832	100.0
62.98522	0.3
65.42009	0.2
71.54367	0.3
78.95945	0.5
104.95174	0.3
127.06548	0.2
163.99254	0.2
171.10316	1.0
270.08408	0.6
394.18442	4.0
395.18948	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	16.3
61.98821	6.8
71.54396	3.1
78.41997	1.8
78.95901	5.8
92.26160	1.6
93.03466	3.0
97.02935	2.2
99.92609	2.1
139.11371	2.8
154.09930	2.2
165.12868	3.0
166.22226	1.9
171.10283	5.2
211.13463	2.6
233.11540	7.2
244.10939	2.9
249.22238	4.5
258.12451	2.1
262.11835	9.1
293.21249	58.4
294.21530	9.1
311.22266	100.0
312.22491	12.8
315.19336	13.5
333.20419	91.6
334.20850	13.0
393.22720	3.6
394.23483	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2131
Annotation	JBIR-56
Peak:m/z	Relative Intensity
53.91919	0.8
54.90073	0.8
55.01854	1.7
57.03429	1.2
59.01379	71.7
69.97375	3.3
71.01379	10.9
73.02951	4.2
83.01388	3.7
84.19118	0.7
85.02943	7.7
85.07069	0.8
86.00085	1.2
89.02434	1.3
93.95230	0.8
95.01405	0.9
99.00891	1.5
101.02439	13.6
101.18423	0.9
113.02437	4.7
140.02730	0.8
144.66534	0.9
158.16026	0.8
159.02954	0.9
161.04559	1.6
333.19168	4.0
375.20227	6.9
393.21283	100.0
394.21640	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	393.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
57.03427	1.5
58.00574	1.5
59.01381	30.4
69.03442	0.9
70.60909	1.1
70.61242	0.9
71.01384	19.3
72.99297	1.2
73.02943	5.6
74.14955	0.4
74.80849	0.5
76.30041	0.5
83.01376	3.7
83.29506	0.5
85.02952	8.2
86.00091	0.8
87.00866	2.0
89.02443	7.4
89.27103	0.6
95.01369	1.1
97.02937	0.7
98.19971	0.8
99.00876	1.9
101.02447	13.4
111.00881	0.8
113.02464	5.8
119.03461	3.0
125.02455	0.8
127.11253	0.8
157.38853	0.5
161.04546	1.7
171.10233	1.2
172.61922	0.5
177.94614	0.5
185.15433	1.8
213.14972	3.0
218.25145	0.5
229.14470	1.1
231.15987	21.5
232.04895	0.8
232.16394	1.9
247.07195	3.3
260.30652	0.5
269.41083	0.6
340.18985	0.5
374.66757	0.6
375.20294	8.0
376.20749	0.8
381.14267	0.6
393.12946	3.6
393.21301	100.0
394.06754	0.5
394.21613	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	393.2131
Annotation	JBIR-56
Peak:m/z	Relative Intensity
55.01873	2.1
55.93422	0.5
57.03433	1.4
58.00592	0.7
59.01380	88.2
60.01711	1.4
69.58752	3.8
71.01382	23.9
72.01706	0.6
72.99287	0.8
73.02943	9.2
77.22588	0.5
78.64809	0.7
83.01376	4.3
85.02952	13.9
85.78922	0.5
86.00148	0.6
87.00918	1.2
89.02440	4.5
95.01406	2.2
99.00870	3.9
101.02445	22.3
102.02785	0.6
113.02450	8.8
119.03493	1.8
125.02428	0.7
125.35992	0.5
143.03528	0.7
159.03008	1.3
161.04547	7.5
171.13902	1.2
181.25639	0.5
331.21237	1.1
333.19217	6.9
334.19568	0.8
375.20139	5.6
393.21289	100.0
394.21606	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	393.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.8
57.03436	2.8
58.00611	0.8
59.01379	31.6
59.95843	0.6
61.98827	2.2
63.10059	0.6
69.03445	1.1
69.56799	2.6
69.57208	1.8
71.01383	54.9
72.01716	1.2
72.57531	0.6
72.99315	1.6
73.02946	30.2
75.00864	1.5
78.28520	0.6
83.01389	11.5
84.02217	0.8
85.02953	26.6
85.03469	1.5
86.00123	0.8
86.03270	1.0
87.00882	3.7
89.02448	10.1
95.01388	3.4
97.02957	2.7
99.00880	11.9
99.08156	1.1
101.02442	53.8
102.02778	0.7
104.39094	0.6
111.00886	1.6
113.02451	23.8
115.04002	1.4
125.02453	3.2
128.03505	0.7
129.01971	0.8
130.08827	0.8
131.03503	2.4
143.03490	2.1
149.04575	1.7
159.03009	4.9
161.04549	22.6
173.04559	0.8
191.05746	0.8
232.39658	0.7
233.06607	2.7
261.13416	82.2
262.13763	5.0
293.08588	0.9
303.14221	0.6
333.15585	0.8
367.50000	0.7
389.36523	0.8
393.17633	100.0
394.17889	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	393.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	6.3
57.03452	5.4
58.00585	2.3
59.01377	55.7
69.03469	1.2
71.01379	79.3
71.21708	1.3
72.01722	1.8
72.99306	2.7
73.02944	28.3
75.00865	1.3
78.57474	0.6
80.13861	0.6
83.01384	14.3
85.02947	36.4
85.16805	0.5
86.00121	0.8
86.03294	1.0
86.16903	0.6
87.00880	4.0
89.02440	31.2
95.01385	5.0
96.00892	0.7
97.02948	2.1
98.02448	0.7
99.00878	12.7
99.08157	2.9
101.02438	63.7
102.02797	1.8
111.00880	0.9
113.02443	33.6
114.02771	0.7
119.03500	9.5
122.80233	0.6
125.02438	2.3
129.01950	1.5
131.03496	4.7
143.03508	4.5
143.67392	0.6
149.04556	6.2
159.02983	6.4
161.04544	30.4
162.04889	1.2
179.05595	1.6
180.17532	0.6
191.05585	2.3
197.09637	0.6
201.04607	0.5
231.13866	0.8
231.15944	5.9
233.06544	0.9
259.34549	0.5
261.13416	100.0
262.13766	8.6
358.14896	1.4
375.20453	0.7
393.16846	8.5
393.21399	5.8
394.17371	1.1
394.22110	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
57.03443	1.2
58.00603	2.6
59.01377	95.7
60.01709	1.3
69.44035	3.3
69.44453	1.4
71.01381	67.1
72.01723	1.2
72.99319	3.8
73.02946	14.7
75.00872	1.0
81.53095	0.7
83.01381	3.4
85.02944	12.2
87.00858	3.3
89.02442	100.0
90.02779	2.5
91.77212	0.5
94.31903	0.6
95.01400	3.0
97.02954	1.1
98.20625	0.8
99.00881	16.6
101.02440	38.8
102.02805	0.8
113.02451	18.4
114.02769	0.6
115.07640	0.6
119.03501	19.5
125.02423	4.0
131.02559	1.1
131.03502	17.8
143.03456	3.6
147.05554	0.6
149.04549	44.8
150.04858	1.4
154.80963	0.6
159.66127	0.5
160.59842	0.6
161.04559	5.5
179.05595	9.6
191.05594	11.3
221.06535	1.3
251.07593	2.2
261.13376	4.2
262.13531	0.7
273.91708	0.5
284.54910	0.6
393.12949	1.0
393.17587	15.0
394.17636	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	393.132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15877	0.6
55.01879	3.4
57.03432	2.5
58.00571	0.7
59.01374	22.2
61.98836	4.0
67.06905	0.7
69.03425	0.8
69.37218	5.0
71.01376	39.9
72.01695	0.9
72.99298	2.1
73.02551	1.1
73.02940	13.9
83.01388	7.9
85.02945	19.9
86.00066	0.7
87.00874	1.7
88.04048	3.0
88.37828	0.6
89.02444	5.9
95.01395	3.2
97.02930	1.0
99.00871	6.2
101.02437	38.0
113.02446	17.5
115.00354	1.9
125.02438	1.3
128.03403	0.6
129.01872	1.1
129.10342	4.1
130.08734	0.6
130.10710	1.2
131.03439	0.8
142.37582	0.6
143.03482	1.3
146.06070	1.1
150.03117	0.7
159.02950	2.8
161.04544	17.4
191.05659	0.7
205.94055	0.7
239.89786	0.6
261.13400	100.0
262.13724	7.7
277.17630	1.0
302.19672	0.7
323.78021	0.9
349.19443	1.1
393.13013	3.3
393.17651	18.4
394.18021	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	392.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01345	3.3
61.98830	100.0
70.52403	7.1
71.40184	3.3
77.86705	3.1
94.79230	3.2
98.20246	6.6
119.75117	2.8
173.81929	3.2
203.71931	2.9
235.09363	3.3
348.03043	3.5
371.07422	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	392.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23677	3.7
59.01369	3.8
60.01312	3.3
61.98537	6.4
61.98830	100.0
84.00830	3.7
98.20658	12.5
100.11606	3.4
102.99604	4.1
144.81018	3.5
191.41165	4.3
248.13731	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57515	0.7
55.01875	1.2
57.03447	2.5
58.00600	0.9
59.01377	14.0
61.98825	1.0
67.01888	8.0
67.09876	0.8
68.99819	3.2
69.03468	1.3
70.87835	2.1
71.01381	16.0
72.99298	4.2
73.02952	2.6
74.02471	1.7
75.00871	17.3
81.03469	2.1
82.64371	0.6
83.01391	1.3
84.90363	0.9
85.02950	25.1
87.00882	4.9
89.02451	3.4
91.03983	0.8
93.03457	1.1
94.67350	0.8
95.01391	4.0
95.50668	0.9
97.02950	0.8
99.00893	8.8
99.04523	1.9
103.00372	2.0
111.00881	100.0
112.01234	3.2
113.02456	19.5
115.00337	1.5
115.03986	0.8
117.01928	2.2
128.03561	1.6
129.01955	2.7
129.03885	1.2
139.00365	1.0
143.03513	19.2
143.04607	2.0
144.04994	0.9
145.29564	0.8
158.09419	1.3
175.02483	1.1
186.30598	0.7
189.04004	0.9
231.05090	3.5
248.24519	0.7
249.06151	65.4
250.06543	3.3
258.82013	0.8
267.07196	4.0
290.28601	0.9
319.98218	0.9
361.07846	2.1
363.16333	0.8
393.10431	18.0
393.15344	1.3
394.10806	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.5
59.01383	13.1
66.03482	1.1
69.79681	1.6
69.80086	4.4
70.02970	3.8
71.01381	6.5
73.02924	3.0
81.02203	4.1
81.52049	1.1
82.02979	1.3
82.06633	5.2
84.08145	1.4
85.02935	3.8
87.00848	1.1
87.05629	2.4
89.02421	2.0
91.05507	1.5
96.00915	46.0
97.01231	1.4
98.02477	34.7
98.20601	1.2
101.02460	5.1
109.01618	1.5
111.02003	1.2
113.02427	2.0
113.03570	26.6
114.01956	2.7
118.06660	1.2
130.08739	45.5
131.05090	8.0
138.09235	11.3
140.07242	1.2
141.10306	1.3
147.04533	1.0
153.24045	0.9
156.06641	1.2
161.03545	4.3
163.08736	1.3
166.08725	3.0
173.10689	1.0
174.05588	3.0
200.07172	12.6
204.08997	3.7
214.12413	1.2
216.13907	12.1
217.09824	1.9
217.14235	1.0
231.16058	6.1
243.07748	1.5
259.14569	5.5
260.12842	13.6
261.08887	1.2
261.13419	1.3
269.16547	2.4
270.10046	1.2
277.15573	3.6
295.14508	2.7
296.15189	1.0
313.15540	2.3
357.14554	100.0
358.14932	12.7
374.17178	33.5
375.17340	3.7
386.39044	1.1
392.19360	6.7
393.21317	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09547	2.8
56.61234	2.3
59.01381	74.6
60.01704	4.9
61.08408	3.0
61.98830	93.0
63.42160	2.5
68.70536	3.0
69.19991	16.9
69.20419	13.2
71.01376	16.5
72.00899	5.7
72.99306	4.0
73.02936	6.1
74.02451	2.8
74.03249	2.7
80.41090	2.4
81.02195	5.7
85.02941	7.7
89.02430	8.8
89.85791	2.9
96.00920	10.2
98.02463	10.0
99.02726	3.4
101.02442	12.8
106.06619	12.3
109.01677	5.1
113.02460	6.1
113.03580	16.3
124.02739	4.1
129.10347	7.1
130.08679	5.4
131.04549	3.1
138.09175	8.1
140.07190	4.5
147.04526	15.6
150.05588	6.4
155.08226	3.7
155.10857	2.9
161.04538	2.9
164.07159	41.3
165.07477	4.5
165.10315	8.2
166.08737	25.0
171.10294	4.1
177.10349	2.7
194.04623	4.5
195.10260	3.6
209.09259	4.4
228.88313	2.9
231.16035	19.5
247.07153	5.1
256.08478	4.7
277.15649	8.6
295.14444	3.4
313.15564	7.7
332.17923	4.1
333.19128	3.9
356.09796	5.9
357.14545	100.0
358.14935	13.1
374.17267	36.3
375.16040	3.4
392.19473	21.7
393.13132	4.8
393.21329	83.7
400.78455	2.8
417.77237	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	392.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	16.8
59.01367	8.0
61.98826	3.1
63.95621	1.3
66.03496	1.4
68.99824	3.3
70.03595	6.8
71.01384	4.9
71.05037	1.7
74.02478	29.0
75.00867	6.5
81.04547	1.5
82.02970	3.4
84.02173	1.7
85.02956	6.8
86.02491	11.7
86.06149	1.6
87.00884	2.5
87.05644	4.7
89.02459	1.7
95.01387	3.0
97.04079	4.3
99.00917	3.7
99.05656	26.9
100.86205	1.5
101.07201	5.8
101.89872	1.5
102.05610	5.7
109.04075	7.5
109.07738	1.7
111.00898	7.2
111.05634	2.7
112.04047	4.2
113.02447	8.1
113.03557	1.7
117.03781	1.8
119.04604	2.2
119.05362	18.8
123.05634	2.3
125.03580	5.3
127.05154	4.7
128.03540	76.9
129.03870	2.5
135.05621	8.6
137.07237	1.4
141.06703	3.9
143.03564	6.1
143.04616	100.0
144.04924	1.6
145.06200	4.8
146.04590	11.1
153.06660	7.0
155.08299	1.9
166.09796	3.8
167.04666	4.8
167.08279	5.3
170.03296	3.2
171.04121	4.2
179.04623	27.2
181.06206	3.5
184.10910	2.5
185.05725	4.1
192.07771	1.5
197.05708	5.1
204.67981	1.5
210.08832	24.4
231.05128	2.4
249.06139	16.1
254.07822	44.9
255.08131	3.0
263.10712	5.2
267.07199	11.3
272.08875	43.9
273.09116	3.7
281.99759	1.5
374.13785	10.0
375.14478	2.3
392.14987	57.8
393.10364	8.8
393.15271	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	392.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18842	0.2
56.78913	0.3
59.01376	3.6
61.98831	100.0
69.43187	1.2
69.43611	0.9
71.01369	1.6
74.02496	0.3
78.95924	0.5
85.02962	0.7
88.04060	1.2
89.02486	0.3
98.20629	0.5
101.02456	0.4
106.06747	0.2
113.02448	0.5
115.00379	1.0
123.04549	1.3
125.02451	0.4
129.10406	0.5
130.08762	0.7
132.03067	0.4
146.06250	0.3
161.04591	0.3
167.03479	4.9
180.06721	0.8
184.10973	0.4
192.01195	0.4
195.06581	0.4
228.17528	0.3
255.08925	0.3
259.14386	0.3
276.17282	1.1
277.15543	0.4
303.06506	0.3
329.08875	0.6
330.20517	0.9
392.13684	0.4
392.18503	1.3
392.22586	0.5
393.13586	0.3
393.18112	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88108	2.5
59.01376	24.5
61.16707	2.1
61.98829	100.0
67.01890	5.9
71.01387	21.6
72.99304	4.1
73.98469	2.0
74.02465	5.5
75.00868	16.1
85.02951	24.5
87.00862	4.5
89.02450	4.4
95.01390	3.8
96.00932	4.1
96.95984	3.1
99.00892	8.9
99.04533	3.9
101.02399	2.9
110.02521	2.4
111.00875	91.9
113.02441	16.0
113.03592	5.0
115.00391	2.6
116.40447	2.1
118.10550	2.2
128.03514	7.4
129.01958	2.3
131.56541	2.2
143.03474	17.0
143.04620	7.9
175.02542	2.6
185.65497	2.1
198.29793	2.4
206.71443	2.7
224.48831	2.5
249.06151	39.2
254.07826	5.3
267.07205	5.0
272.08826	4.3
325.07593	2.2
392.14868	3.3
393.10416	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42616	0.8
55.37990	0.9
57.03452	1.2
59.01379	19.2
61.98834	6.7
69.03444	4.3
71.52070	1.1
71.52433	1.2
72.10230	1.0
83.05009	0.8
102.65985	0.8
107.08660	1.3
108.05822	1.6
119.08656	7.9
125.09706	2.1
127.11317	2.3
135.08121	2.7
137.09720	31.4
138.10063	1.5
139.11264	1.1
171.10266	100.0
172.10550	5.2
193.08453	24.6
194.08765	2.1
201.11218	5.4
207.10014	16.4
223.11871	2.8
225.09750	1.4
245.19006	1.9
253.09201	1.3
267.10840	4.1
273.18582	3.7
273.24933	1.0
279.13742	0.9
291.19949	4.5
291.22693	1.0
309.20740	9.6
310.21021	2.2
313.17834	14.6
314.18106	1.7
317.50659	1.0
341.47931	1.0
361.52936	1.0
391.20822	8.1
391.25912	1.4
392.21039	2.0
400.56277	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.8
58.00594	1.1
59.01382	32.7
60.01713	0.7
61.98827	3.9
71.01383	16.7
72.99299	1.2
73.02943	5.0
75.00900	0.8
83.01395	2.7
85.02953	6.6
87.00912	0.9
88.26823	0.6
89.02441	7.5
95.01389	1.6
95.20746	0.7
99.00908	0.8
101.02441	10.5
109.02917	1.5
113.02467	6.2
119.03484	1.8
129.52457	0.6
161.04559	1.0
165.07455	0.8
169.12367	3.5
181.12297	0.9
193.12363	2.1
199.13356	0.7
211.13412	10.4
222.82292	0.7
229.05042	0.8
229.14439	28.6
230.14783	2.4
267.50262	0.6
300.50122	0.7
331.17633	1.7
349.18619	0.9
373.18741	1.6
391.19733	100.0
392.20090	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	391.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92387	2.9
59.01383	47.4
61.98826	9.4
69.03471	6.3
78.11312	3.4
95.05052	3.3
96.96010	71.1
97.02954	46.0
97.06590	7.5
98.19956	9.9
99.51457	2.9
111.08184	5.0
125.09696	3.4
129.85793	3.3
137.09731	9.1
157.50989	3.1
161.53505	3.1
163.11244	3.6
165.12802	10.6
171.10254	13.4
185.83968	4.5
193.08401	20.9
193.12349	5.4
195.13742	3.6
206.24501	3.7
207.10040	4.0
209.11957	4.9
215.10611	5.9
220.23312	3.4
233.11577	11.5
245.11568	9.3
247.20575	5.4
262.11862	39.8
291.19666	96.1
292.20071	8.5
309.20715	100.0
310.20999	14.3
313.17841	7.1
322.12936	4.5
331.18939	36.1
334.67093	3.1
370.16388	7.2
391.17676	14.8
391.21173	13.4
392.20850	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	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.6
58.00578	2.7
59.01382	100.0
60.01719	2.0
68.23909	1.2
69.03428	1.9
70.88660	4.0
71.01385	62.5
71.04991	1.4
72.01703	1.3
72.99297	3.5
73.02950	53.0
80.54359	1.3
83.01390	17.6
85.02954	12.0
87.00866	2.1
89.02448	18.9
95.01386	4.0
96.96008	3.9
97.02958	1.4
99.00893	1.5
100.71723	1.4
101.02443	56.0
102.02745	1.7
113.02450	17.8
119.03510	8.2
131.03539	2.9
141.12833	3.9
143.03503	3.5
147.62044	1.4
149.04506	3.3
161.04579	6.1
168.55562	1.5
169.12349	25.6
187.13383	12.0
232.61479	1.4
331.17636	27.8
331.21469	0.9
332.17883	3.8
349.14627	2.7
349.18686	44.0
350.18973	5.7
391.19711	79.4
392.20135	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	391.1974
Annotation	Leu-Phe-Asn
Peak:m/z	Relative Intensity
50.11560	0.8
55.01864	2.5
57.03440	1.2
59.01379	37.1
61.04339	0.8
61.98830	0.9
69.83478	3.9
71.01384	19.4
73.02950	6.5
83.01392	4.1
85.02948	9.7
87.00861	1.2
89.02446	6.8
95.01385	1.0
96.00912	0.9
98.02482	1.3
99.00880	2.6
101.02435	16.5
111.00884	1.2
112.67083	0.8
113.02423	6.4
116.50603	0.8
119.03508	1.9
120.86361	0.9
129.09283	0.8
155.01042	0.9
159.02971	1.3
161.04543	1.8
164.07159	1.3
166.08759	0.9
188.97861	0.8
211.13376	3.2
229.14478	9.0
238.02025	0.8
256.82150	0.8
331.17529	0.9
347.20850	1.1
357.14465	5.2
373.18646	2.6
374.17319	2.6
391.19724	100.0
392.20099	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	390.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
69.71623	11.6
69.72033	19.8
86.87251	5.5
95.99326	4.6
116.17000	4.9
207.13191	5.4
271.70035	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	390.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	23.9
61.98834	100.0
63.12474	3.0
69.23032	32.0
72.99329	3.6
83.59213	3.4
96.96003	17.1
103.37951	3.5
108.47068	3.3
111.53984	3.5
119.08672	4.9
124.10616	3.0
125.09682	5.4
137.09746	22.4
171.10254	24.4
180.28491	3.6
193.08455	65.7
218.74449	3.1
223.09425	4.6
309.20670	13.1
331.17886	6.1
390.16718	6.6
391.26968	13.2
408.30688	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	390.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
71.28584	5.7
79.95731	3.4
86.20146	2.5
89.02091	2.4
89.71361	2.5
96.96042	4.3
98.20410	2.5
169.60681	2.7
226.50185	2.4
303.09076	2.5
304.47253	2.4
391.17850	6.2
391.29449	3.7
404.47479	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	390.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21539	5.8
61.98831	100.0
63.57237	5.1
69.47362	26.0
69.47765	13.9
71.51395	5.7
101.61361	5.7
109.57111	6.1
110.49738	5.2
116.64933	6.5
246.70929	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	389.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
63.80553	2.9
70.93954	5.4
71.01376	3.0
79.95679	2.5
80.96527	9.2
122.05444	2.3
140.58975	2.7
154.59421	3.3
161.09853	2.7
197.11836	7.4
201.90952	2.6
240.46603	2.8
255.23279	3.8
299.04492	2.8
361.90738	2.4
389.18970	2.8
390.19650	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	389.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31022	7.0
58.36691	7.2
59.01379	100.0
70.11859	26.9
92.37542	8.0
98.19982	8.5
103.12321	7.7
150.12881	9.1
171.07275	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	389.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42794	13.7
59.01376	45.3
69.03487	11.6
69.31628	100.0
79.95717	17.8
80.96510	34.7
82.49236	10.4
111.73370	12.8
142.46260	10.7
197.11742	28.7
198.55130	14.3
225.00923	13.2
234.95082	12.5
267.72318	13.1
288.59979	14.4
299.04285	16.0
389.19049	27.8
389.69174	20.7
390.19839	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	389.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94680	24.0
56.38384	25.1
59.01360	55.8
59.59985	25.5
70.08962	100.0
80.96501	46.8
98.19924	24.9
138.14680	24.7
171.65712	29.3
197.11772	30.9
255.23189	30.9
389.18262	32.4
390.19757	41.7
402.26535	27.6
413.07645	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	389.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	6.9
57.03452	6.0
58.00597	3.1
59.01381	73.2
60.01709	1.0
61.98831	0.7
67.38433	0.6
68.99828	0.5
69.03455	1.1
69.79098	0.5
71.01384	100.0
71.54117	0.6
71.54475	0.6
72.01727	1.3
72.99310	4.8
73.02946	28.0
73.44604	0.5
74.02509	0.7
74.03302	0.5
75.00870	2.2
81.16072	0.4
83.01392	13.8
83.45888	0.5
84.01690	0.5
84.02172	0.7
85.02952	44.4
86.00095	1.3
86.03294	1.1
87.00872	4.8
89.02447	37.7
90.02792	0.7
90.67231	0.5
93.03442	0.9
95.01385	8.4
97.02949	2.6
99.00889	11.1
99.04530	0.7
101.02447	80.2
102.02803	1.4
111.00893	2.3
113.02454	42.6
114.02786	1.3
116.07194	0.5
116.92879	1.0
119.03507	13.5
120.03809	0.7
125.02467	2.0
129.01915	2.3
130.08743	1.0
131.03514	2.0
134.03764	0.7
137.09732	0.8
143.03508	6.0
143.10788	0.5
147.11734	0.5
149.04562	0.9
150.03221	1.0
159.02988	11.1
161.04562	45.7
162.04893	1.2
165.05595	0.6
165.12860	8.7
169.64340	0.5
179.05644	3.7
193.05003	0.8
205.03523	1.7
209.15483	3.5
227.13019	0.9
227.16499	6.3
287.18588	0.8
341.10184	0.5
389.21912	55.5
390.17801	0.5
390.22241	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	389.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31719	0.7
55.01878	4.2
55.02113	0.6
57.03447	4.4
58.00597	4.7
59.01381	100.0
60.01712	1.6
61.98826	1.8
62.44563	0.7
65.75379	0.6
66.54002	0.6
68.99775	1.0
69.03468	0.9
69.75974	3.9
71.01384	75.8
72.01724	1.0
72.99300	5.0
73.02953	13.1
75.00868	0.9
83.01380	9.7
85.02953	26.8
86.03298	0.9
87.00876	3.3
87.68119	0.8
89.02446	62.2
90.02791	1.9
95.01369	4.5
99.00888	5.0
99.92611	0.7
101.02444	63.7
102.02828	2.0
103.69304	0.7
109.06606	1.5
111.97090	0.8
113.02452	30.1
114.02763	1.1
115.92081	1.8
116.92852	4.1
119.03503	30.1
120.03860	1.1
125.02468	0.9
129.02023	0.8
130.08786	0.9
131.03517	2.1
133.45111	0.7
143.03516	5.3
149.04593	1.9
153.00700	0.7
159.02989	3.1
161.04556	16.0
165.05534	1.0
165.12807	0.6
179.05632	4.2
191.05589	0.8
193.05048	1.0
209.11909	2.0
282.82449	0.6
313.75757	0.6
389.13486	1.6
389.18088	3.8
389.22055	24.8
390.22247	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	389.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00210	1.3
58.02962	1.8
59.01385	16.2
59.97478	1.4
61.98832	13.3
69.03459	11.5
69.52649	3.5
69.53056	8.7
71.01374	6.9
71.02511	8.7
73.04068	40.0
74.02476	40.0
78.95898	16.1
82.06615	2.0
83.02518	3.0
84.00928	3.0
84.83496	1.5
85.02972	2.6
85.04062	4.7
87.05641	53.7
88.04031	1.6
89.02447	5.2
95.05028	2.6
96.00905	2.1
96.96008	1.6
96.96964	28.5
97.04077	1.4
98.02435	1.9
98.20606	2.7
101.02441	3.6
109.01685	1.8
111.02013	6.2
111.05567	1.3
113.02433	3.3
113.03562	15.3
117.06696	29.3
119.03511	1.6
121.06583	4.0
125.10824	2.1
126.09235	3.3
127.05125	1.7
128.03548	3.7
129.10315	2.9
130.06229	3.3
130.08727	2.9
131.04634	17.9
139.08740	4.6
141.10333	9.7
143.11920	9.3
152.07224	8.2
153.10287	3.0
161.04549	1.7
165.05583	1.7
169.09819	19.6
182.13129	1.5
186.12447	3.2
187.10890	2.4
200.14037	75.4
201.14302	3.3
210.12468	3.6
226.11958	3.8
244.13040	2.6
257.16208	18.7
264.72183	1.5
270.14658	9.1
291.10843	2.6
301.15179	62.1
302.15445	4.2
314.01642	1.6
315.16846	2.4
324.12106	2.1
327.16620	3.0
345.17776	100.0
346.18063	10.4
354.12943	2.4
368.90750	1.5
370.46667	1.5
374.48987	1.5
389.10776	3.4
389.20496	14.3
390.20554	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	389.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	0.5
59.01377	100.0
60.01706	1.4
69.51481	2.6
69.51882	0.8
71.01379	12.4
72.99298	0.9
73.02962	1.3
74.02478	1.1
75.54030	0.5
85.02054	0.6
85.02943	2.5
87.00891	0.9
89.02441	19.5
95.01400	0.8
101.02441	7.6
111.08176	0.6
113.02452	7.0
115.27054	0.5
116.03529	0.6
119.03500	8.6
125.40793	0.5
127.30435	0.5
131.03535	0.7
135.76933	0.5
143.03493	1.1
149.04622	0.8
149.09715	5.8
161.04573	2.1
165.12747	0.5
179.05606	3.2
196.24817	0.6
227.13016	0.8
227.16695	0.7
287.15012	0.9
389.17670	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	389.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16173	0.9
55.01860	2.9
57.03443	2.9
58.00596	2.4
59.01380	100.0
60.01697	2.5
61.98809	1.4
69.03437	0.9
69.38058	8.1
71.01384	47.2
71.87168	1.2
72.01708	2.1
72.99294	2.7
73.02953	9.2
83.01398	5.2
85.02944	15.9
86.03298	1.3
87.00872	3.2
89.02442	32.1
90.02798	1.2
91.02869	1.0
93.03439	1.3
95.01360	4.4
96.00893	1.5
97.03037	1.1
98.02489	2.4
98.20721	1.7
99.00891	5.5
101.02444	32.8
102.02809	2.3
113.02450	17.6
113.03588	1.5
114.05571	1.8
119.03500	14.0
119.04948	1.2
120.01238	3.4
130.08720	5.8
131.03510	1.8
133.55142	1.0
138.09196	1.5
143.03534	2.0
147.11809	1.2
159.03061	2.2
161.04543	10.1
165.12816	8.2
165.74843	1.1
166.02719	0.9
173.04555	1.1
179.05574	3.0
191.05556	2.1
209.11774	2.3
223.10881	1.2
227.12849	2.1
275.57166	1.0
329.16040	1.6
345.18918	2.3
371.16766	1.3
373.13907	7.6
389.18094	95.1
390.18521	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	389.1816
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01863	2.3
57.03444	2.1
58.00586	2.4
59.01379	100.0
60.01698	1.8
61.98829	1.4
69.52873	6.1
71.01383	45.0
71.42252	0.8
72.01711	1.3
72.99301	3.2
73.02943	7.9
83.01373	4.8
85.02952	18.7
86.00077	0.9
86.03246	0.9
87.00867	2.1
89.02445	28.0
90.02761	1.1
95.01385	3.5
96.00924	2.1
98.02454	1.0
98.19804	1.3
99.00881	3.4
101.02443	30.8
102.02797	1.1
111.00884	1.0
113.02448	16.9
113.03606	1.0
114.02733	1.4
114.05597	1.1
119.03497	12.3
119.05000	1.3
120.01234	3.0
125.02399	0.8
130.08716	4.0
131.03461	2.0
143.03514	2.0
143.59309	0.8
147.11795	1.5
159.02962	1.6
161.04538	9.8
165.12831	5.9
166.02678	1.2
173.04572	1.0
179.05569	2.4
191.05583	2.4
193.05038	1.6
209.11786	2.5
226.68742	0.9
227.12773	2.4
227.16476	1.1
268.62332	0.9
303.16449	1.2
329.15854	1.8
345.19016	1.7
371.16626	1.3
373.13803	4.8
389.18091	96.1
390.18369	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	389.1812
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
51.53692	0.6
52.66500	0.5
57.03458	0.9
58.00612	0.6
59.01377	11.1
61.98829	1.6
65.19776	0.5
66.77375	0.5
71.01377	7.3
71.52699	0.5
71.53146	1.2
72.99321	0.7
73.02931	0.6
85.02956	1.9
89.02435	6.1
95.01373	0.9
97.06621	0.7
101.02461	3.9
111.08173	1.9
113.02425	5.3
119.03524	1.3
123.95308	0.6
161.04521	0.9
165.12837	25.7
166.13184	1.9
167.14468	0.6
172.97061	0.5
179.05586	1.0
183.13890	75.7
184.14243	4.3
186.95181	0.6
197.15462	1.7
207.13945	1.8
209.11804	3.6
225.14905	1.5
227.12868	100.0
228.13184	8.2
251.12875	4.4
269.13889	2.8
316.41544	0.5
329.16107	1.0
389.18066	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	388.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52595	0.5
52.18880	0.5
56.18099	0.4
57.25309	0.4
59.01379	13.7
60.01717	1.2
61.98829	100.0
64.75652	0.6
71.01061	0.5
71.01382	3.1
71.22510	0.9
74.02459	1.0
76.44555	0.5
83.12175	0.4
89.02457	2.4
98.77521	0.5
101.02466	1.8
113.02468	0.9
119.03535	1.1
119.25037	0.6
120.45613	0.5
125.03587	0.6
127.05049	0.7
128.03551	1.1
130.08743	0.7
133.06947	0.6
145.02922	0.6
163.11337	1.1
164.11600	1.4
167.08301	2.0
168.11113	0.6
170.03296	0.7
171.04153	0.6
179.04634	1.0
192.07761	0.5
206.54390	0.5
208.10605	0.8
210.08795	1.0
254.07823	4.5
262.56509	0.6
282.50043	0.5
300.94360	0.6
388.16968	14.7
389.18057	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	389.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72129	1.2
58.00585	2.0
59.01381	89.8
60.01696	2.5
60.14717	1.2
61.79755	1.1
61.98823	2.6
65.03947	1.4
67.01877	2.4
69.03458	100.0
69.96875	5.3
70.03769	3.6
71.01382	24.0
72.99319	1.4
73.02936	1.6
78.31871	1.1
83.01397	1.5
85.02940	5.9
87.00859	1.1
88.04028	1.6
89.02448	29.8
90.02772	1.8
93.07110	1.6
95.01363	3.5
95.05029	22.7
101.02441	19.7
106.04237	3.9
111.05674	1.1
113.02463	12.5
114.05563	1.5
119.03510	16.5
121.02954	6.3
121.06601	40.8
122.06942	1.9
123.04532	5.1
131.03506	1.2
139.00371	5.3
139.04022	2.1
139.07690	6.8
143.03479	1.7
161.04585	2.4
165.05580	18.3
176.01172	10.7
179.05548	2.8
183.06641	11.3
184.07031	1.2
191.03479	12.2
209.04523	10.1
210.05606	14.3
345.11887	17.8
346.12094	2.6
389.10895	28.8
389.17651	4.6
390.11182	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	388.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15822	1.2
54.90612	1.2
57.71975	1.1
59.01381	33.4
60.01708	1.9
61.98833	100.0
63.15965	1.1
69.03442	9.1
70.66219	4.0
71.01373	9.5
85.02964	1.4
88.04038	4.9
89.02450	7.2
90.02753	1.8
95.05019	2.7
99.05593	1.4
101.02431	6.7
113.02449	4.6
119.03499	3.5
119.04992	2.0
121.06589	5.0
127.05132	1.2
128.03534	1.6
130.08716	1.4
163.11279	1.8
164.11650	2.1
165.05621	2.7
191.03506	1.8
207.10161	1.7
208.10551	3.2
209.04713	1.4
236.93010	1.3
255.29462	1.2
301.14731	4.0
345.11807	1.9
388.16910	33.8
389.10870	4.1
389.17523	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	387.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24089	1.0
59.01385	1.3
66.73140	0.9
69.92719	5.5
70.86670	0.9
72.99311	16.1
73.02954	8.2
75.00872	88.8
100.06104	1.0
130.21446	1.1
154.57782	1.1
156.01385	1.1
247.38780	1.2
277.05774	1.0
327.52878	1.1
387.31140	100.0
388.31467	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	387.275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
62.28673	9.0
64.06930	10.1
67.50256	9.7
98.19842	21.8
103.46887	11.3
114.82644	10.9
127.30553	11.7
127.66097	9.0
134.33322	9.7
237.14827	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	387.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	100.0
62.61771	10.5
69.92062	13.5
70.90189	10.5
71.01362	19.4
71.52368	14.1
306.59457	10.9
387.25522	17.2
396.69104	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	387.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	80.5
69.94537	100.0
77.56747	20.5
97.60493	27.9
132.86322	24.6
164.20816	23.3
169.72943	24.9
224.77213	29.6
270.67038	27.2
387.25372	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	387.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.7
57.03442	2.5
58.00594	4.6
59.01380	98.2
61.98831	28.1
69.03457	3.8
69.72626	6.2
71.01383	87.8
72.01727	2.3
72.99301	6.2
73.02961	4.7
74.15942	1.2
75.00868	1.3
80.96488	1.1
81.03459	1.2
83.01386	3.2
85.02944	14.4
87.00893	7.5
88.08513	1.1
89.02447	100.0
90.02770	1.2
94.69495	1.1
94.90439	1.0
95.01387	6.6
96.96018	1.2
97.02956	2.0
98.19968	1.6
99.00890	2.4
101.02443	40.5
106.06602	1.4
108.02166	1.1
108.04543	1.4
108.08076	1.0
109.02988	2.2
113.02453	31.9
119.03503	38.5
122.01990	2.0
122.03762	1.2
123.00932	1.5
125.02495	2.1
131.03526	3.8
134.06108	3.4
135.04546	1.9
136.01665	31.8
137.02553	5.6
137.04335	6.5
139.87987	1.0
140.48619	1.1
143.03496	10.2
149.04512	2.8
151.00383	6.0
151.04015	47.5
152.04263	1.7
152.07196	1.7
154.20848	1.2
156.82120	1.1
160.04068	2.7
160.05296	1.2
161.04567	9.5
161.83141	1.1
162.05621	10.7
166.02705	20.7
166.04994	1.2
177.01962	1.6
179.05627	20.5
180.06720	2.0
181.05078	27.1
182.05380	1.2
188.03587	1.3
191.14388	1.5
207.13904	2.7
225.14943	2.4
249.12692	1.2
250.01794	2.1
267.11462	3.2
269.13791	1.7
290.13834	1.7
306.04492	1.6
311.10385	8.6
343.20108	1.6
355.09335	5.0
357.09811	8.1
372.12161	6.7
373.12466	1.5
387.12277	7.5
387.14709	11.6
387.20667	2.2
387.24808	1.8
387.64096	1.8
388.11685	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	387.2023
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
55.01870	7.5
57.03434	6.5
58.00576	3.6
59.01379	77.1
61.98832	11.1
71.01378	88.1
71.53242	2.5
72.01676	1.8
72.99291	5.2
73.02944	24.8
75.00879	1.6
79.95775	2.0
83.01379	12.8
83.04999	2.6
85.02944	38.6
87.00880	6.4
89.02441	43.1
95.01368	6.7
96.95383	2.1
96.96005	38.6
97.02951	1.8
99.00863	10.3
101.02437	71.5
102.02783	1.4
113.02446	37.9
119.03500	21.2
125.02356	1.8
129.01938	1.5
131.03474	2.9
136.01649	1.8
137.09628	1.7
143.03479	4.5
146.09123	1.7
149.04517	1.9
153.09138	2.2
159.02934	8.4
161.04549	28.1
166.05092	3.2
179.05608	4.4
181.12317	1.9
195.13866	3.3
207.13876	5.9
225.14914	17.6
226.15176	1.5
250.01501	1.7
274.74597	1.6
344.23944	2.0
387.20197	100.0
388.20453	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	387.2024
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
54.16183	0.5
55.01878	1.7
57.03441	2.4
58.00592	5.1
59.01378	100.0
60.01705	1.5
61.98832	3.7
70.95059	0.9
71.01380	72.7
72.01719	1.2
72.99307	6.3
73.02945	6.3
74.02470	3.1
75.00896	0.5
83.01380	4.1
85.02131	0.6
85.02948	18.3
87.00877	4.3
89.02441	80.2
90.02786	2.2
93.03445	1.3
95.01393	4.7
96.96002	0.7
99.00854	1.3
101.02438	42.7
102.02792	1.4
113.02447	28.1
114.02760	0.9
119.03497	34.3
120.03812	0.8
125.02482	0.9
128.03493	1.4
130.08679	0.6
131.03525	3.4
135.04506	0.6
137.09685	0.9
143.03516	4.3
143.04536	1.1
149.04585	2.6
155.10788	4.3
159.02977	0.7
161.03470	0.6
161.04558	8.2
163.11218	2.4
165.09149	1.6
167.09781	0.7
173.04503	1.4
179.05602	3.9
181.12277	0.8
191.05556	1.8
199.09648	2.3
207.13829	1.2
225.11183	0.7
225.14859	2.2
233.02032	0.6
324.17191	0.5
352.43515	0.5
379.13757	0.8
387.16104	3.1
387.20221	1.7
388.19714	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	387.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88883	0.8
55.01882	8.8
57.03445	7.8
57.89479	0.7
58.00595	3.9
58.02963	1.2
59.01379	86.2
60.01698	1.4
61.98825	2.6
68.99814	1.1
69.03417	1.5
69.51225	6.1
71.01381	99.4
71.05006	1.3
72.01743	1.7
72.99310	5.4
73.02947	28.0
74.02471	2.4
75.00862	1.6
83.01385	15.1
83.20020	0.8
85.02950	43.9
86.03294	1.2
86.12707	0.9
87.00878	6.3
89.02443	48.3
95.01380	8.9
96.96011	2.6
97.02940	2.0
99.00883	10.4
99.05630	2.1
101.02441	74.9
102.02775	1.4
106.56973	0.8
111.00874	2.2
113.02449	43.8
119.03509	21.1
123.08163	1.0
125.02415	1.2
128.53685	0.8
129.01938	2.8
131.03499	2.6
136.05379	0.9
143.03488	4.6
143.04619	10.9
149.04524	2.1
151.11275	1.4
153.09143	1.1
158.52513	0.8
159.02985	6.9
161.04556	29.5
163.11258	1.7
177.03418	1.1
179.05647	6.0
181.12323	2.2
184.88957	0.8
195.13918	1.7
203.08212	1.2
207.13867	7.1
209.11784	2.2
225.14957	19.3
226.15262	1.8
243.10452	2.0
245.09290	2.4
306.63388	1.0
387.20239	100.0
388.20578	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	387.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.1
57.03444	4.1
58.00589	4.2
59.01379	74.6
60.01733	0.7
61.98831	2.9
65.70536	0.5
69.03472	0.9
71.01380	65.6
71.05022	0.7
72.01717	0.9
72.99303	5.0
73.02945	12.4
73.04067	0.8
75.00902	0.6
81.03491	0.7
83.01388	8.2
85.02949	24.7
86.03316	0.6
87.00876	4.1
89.02444	44.3
95.01389	5.2
97.02923	0.9
99.00887	5.3
101.02441	48.4
101.85368	0.6
102.02802	1.3
108.00919	0.5
111.00867	1.2
113.02451	27.2
114.02798	0.9
119.03500	20.4
123.08165	0.9
125.02460	0.7
128.03528	1.6
129.01930	0.8
130.08763	2.6
131.03502	2.2
137.02437	0.7
137.09734	1.6
143.03485	2.4
143.11868	1.0
149.04547	1.4
151.11304	0.5
152.08476	1.0
159.02975	3.6
161.04555	11.0
163.11307	1.2
179.05589	2.4
181.12257	0.7
189.12878	0.7
195.13905	1.7
196.09792	0.5
197.15433	1.6
207.13873	3.0
225.14944	19.7
226.15302	1.8
256.20453	0.9
284.21973	0.5
335.64899	0.6
357.21426	0.9
373.91168	0.5
387.20206	100.0
388.20505	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	387.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.7
57.03448	1.8
58.00593	3.1
59.01379	100.0
60.01715	0.8
70.82683	1.3
71.01382	75.8
72.01741	1.3
72.99309	5.0
73.02945	8.7
73.06631	0.6
75.00872	0.8
83.01387	5.3
85.02953	18.6
87.00402	0.6
87.00865	3.9
89.02444	70.9
95.01379	4.5
97.02947	1.3
99.00888	4.0
101.02444	46.4
102.02792	1.2
113.02451	31.9
114.05663	0.8
119.03502	30.9
131.03540	2.7
137.09703	1.4
143.03525	4.6
143.04498	0.7
148.45018	0.6
149.04594	1.7
152.08423	4.4
153.09204	1.6
159.02960	3.3
161.04565	14.3
161.05891	1.1
163.11339	1.1
173.09702	2.2
179.05591	6.0
189.12845	11.4
190.13263	1.0
207.13905	4.3
225.14998	6.0
261.40652	0.9
305.05048	0.8
357.21597	1.1
387.20291	22.2
387.24820	1.4
388.20831	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99437	0.7
51.65551	0.9
55.01848	3.7
55.58146	0.8
56.43624	0.8
57.03455	5.4
58.00570	2.6
59.01379	100.0
59.16182	0.8
61.98816	1.4
65.62318	0.7
69.18136	5.5
69.18557	3.0
71.01382	84.0
72.01687	2.3
72.99281	3.6
73.02563	1.3
73.02940	15.8
73.04049	2.9
74.02449	2.7
75.33456	0.7
83.00968	0.9
83.01385	8.2
83.05028	4.5
85.02950	29.7
87.00841	2.4
89.02442	54.4
90.02784	1.3
95.01388	6.7
96.42973	0.8
97.02900	0.9
98.20639	1.9
99.00874	6.2
101.02437	50.7
102.02760	1.1
104.03463	1.3
107.04959	1.3
108.43854	0.8
113.02448	36.8
116.05044	0.7
119.03504	19.3
120.03796	1.1
121.06531	1.7
123.08160	38.1
124.08462	1.9
125.02395	1.7
129.01857	0.9
129.10300	1.2
131.03477	2.8
137.09718	12.5
138.06833	1.6
143.03418	3.6
143.11865	1.7
147.08170	1.1
149.04468	1.0
152.08353	2.2
153.09087	3.2
154.09483	1.0
155.08560	1.4
159.03004	4.8
161.04556	20.2
163.11295	32.8
164.11517	2.7
171.11714	2.0
173.09615	2.5
179.05608	4.6
186.12317	0.8
189.12842	49.2
190.13165	4.8
205.12245	1.3
207.10081	2.6
207.13885	69.8
208.14206	4.7
225.13150	0.7
225.14941	8.6
256.20206	1.1
334.97144	0.9
343.19571	2.2
357.21191	2.3
387.16226	27.7
387.20352	7.4
388.16611	3.4
401.10049	1.0
404.46933	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1661
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
57.03460	0.8
58.00562	0.9
59.01379	19.0
61.98825	0.8
63.57249	0.7
69.17973	7.2
71.01378	9.1
72.99299	0.7
73.02930	0.9
83.05033	0.8
85.02934	3.6
87.00866	0.8
89.02440	9.3
89.54460	0.8
93.03464	2.0
95.01377	1.3
101.02447	4.3
106.04221	1.5
109.02959	1.0
113.02472	5.2
119.03494	2.4
148.16190	0.7
161.02628	0.7
161.04475	0.9
163.11290	5.1
173.04512	0.8
179.05556	1.0
181.12338	100.0
182.12711	7.4
189.92813	0.8
205.12393	1.4
207.10239	1.6
223.13353	0.8
225.11316	39.5
226.11652	2.4
245.08321	0.7
249.11299	4.0
267.12381	1.7
289.07138	1.9
344.24417	1.7
387.15790	1.1
387.24509	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	387.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.1
57.03446	1.7
58.00594	2.3
59.01381	100.0
60.01718	1.8
61.98819	2.8
69.03452	1.7
70.29037	2.2
70.29391	2.0
71.01380	41.4
72.01696	1.0
72.99305	2.0
73.02958	5.4
73.04063	2.2
83.01397	3.1
85.02943	14.2
87.00877	2.3
89.02444	32.6
90.02796	0.9
95.01416	2.2
99.00863	2.8
101.02449	22.7
103.05102	1.1
108.02115	1.2
113.02450	16.7
113.03625	1.3
119.03516	13.0
121.02979	2.8
121.06581	1.1
123.08159	1.5
128.03543	2.2
130.08762	5.4
131.03459	2.1
137.09718	4.7
143.03491	1.8
149.56747	0.9
151.02615	4.4
161.04544	9.8
163.11295	14.5
164.11639	1.5
179.05663	2.2
181.47116	1.0
189.12860	5.6
191.05629	3.7
193.03627	2.3
207.10245	4.0
207.13786	6.0
225.11356	2.0
225.14944	4.6
256.20352	1.5
357.21640	2.5
387.16599	69.5
387.20547	2.9
388.17014	9.4
388.21649	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	387.1592
Annotation	Kanzonol E
Peak:m/z	Relative Intensity
58.25537	0.6
59.01372	2.6
60.66481	0.6
61.98837	0.7
69.03468	0.9
69.50896	4.4
71.01375	1.9
72.00948	0.6
74.02469	3.2
79.95737	59.1
80.96518	18.3
80.96935	0.4
83.19794	0.6
85.02940	1.2
89.02437	1.3
91.98117	0.7
93.97295	8.1
95.97609	2.9
96.96025	3.7
101.02432	1.8
107.71151	0.6
107.97607	12.5
108.98360	3.2
109.99184	5.5
119.03534	0.8
124.88269	0.6
125.96270	2.3
135.97067	2.5
153.98169	3.8
162.12814	0.8
199.13324	0.9
205.15988	1.2
214.15997	1.9
230.15630	1.3
232.17055	7.1
233.17371	0.9
243.88516	0.6
261.19522	0.7
263.21191	1.9
276.16122	2.0
293.10614	1.0
307.20309	4.5
308.20651	0.8
314.14230	1.4
329.15256	1.0
343.16974	10.7
387.15933	100.0
388.16205	12.0
388.21060	0.8
398.85837	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1659
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
58.00600	0.9
59.01377	81.9
60.01694	1.2
70.36607	2.2
71.01380	16.9
82.77664	0.7
83.01382	1.3
85.02955	3.7
87.00928	0.6
89.02438	17.2
95.01365	1.2
101.02435	10.6
111.10991	0.7
113.02439	5.6
119.03499	6.5
145.03217	0.7
163.11287	6.3
174.16756	0.6
207.10239	17.2
208.10606	1.0
387.16583	100.0
388.16910	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	387.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12367	0.9
55.01876	5.9
55.30066	0.9
57.03454	5.9
58.00567	2.9
58.02973	13.1
59.01379	80.1
60.86725	1.0
61.98806	3.8
62.12698	1.0
69.03445	1.5
71.01382	97.6
72.00882	1.2
72.01699	1.8
72.99294	5.0
73.02557	1.4
73.02943	23.6
73.04051	3.3
74.02474	10.5
75.00870	2.2
77.27682	0.9
79.95707	2.8
83.01383	14.9
85.02949	40.0
86.02454	1.3
86.03239	1.4
87.00886	5.1
89.02446	43.8
95.01379	7.9
96.00873	1.3
96.96028	7.7
97.02922	2.5
97.04050	1.6
99.00878	10.1
99.05639	18.1
101.02444	71.7
102.02776	1.6
111.00880	1.4
113.02448	41.4
114.02735	2.2
114.33985	1.1
114.93378	1.5
116.05009	1.1
119.03503	21.8
125.02452	1.2
125.03563	1.5
128.03485	1.2
129.01915	2.4
130.08722	4.7
131.03545	1.3
131.04599	1.4
133.04358	2.4
137.09711	2.1
138.30673	1.1
143.04619	100.0
143.11873	2.7
144.04924	3.0
147.11807	3.0
149.04491	1.8
153.09158	1.4
159.02992	7.1
161.03275	1.8
161.04550	25.4
163.11253	1.6
169.09839	1.8
177.03343	9.6
179.05620	4.8
181.12299	1.5
191.05565	1.7
195.13918	1.9
207.06854	4.6
207.13866	5.5
209.11844	7.8
225.07899	1.2
225.14931	16.2
243.10555	14.6
245.09311	6.9
256.20090	3.0
311.10260	1.3
357.21271	4.5
387.12259	6.2
387.15634	30.5
387.20169	77.5
388.16061	4.2
388.20551	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	387.1326
Annotation	N5-Dinitrophenyl-L-ornithine methyl ester
Peak:m/z	Relative Intensity
55.01876	3.2
57.03453	3.4
57.47056	0.4
58.00592	1.5
58.02957	0.9
59.01380	45.7
61.98833	2.9
69.03457	0.6
69.36739	3.1
71.01382	56.9
72.01728	0.7
72.99303	2.3
73.02946	14.5
73.04072	0.9
74.02462	1.1
75.00859	1.0
79.95735	8.9
80.96535	0.7
83.01392	7.1
85.02950	25.7
86.03314	0.6
87.00868	2.9
89.02443	23.7
95.01399	4.8
95.95225	3.3
96.96014	7.6
97.02956	1.1
99.00884	6.3
99.05624	0.9
101.02442	39.0
102.02773	1.0
111.00885	0.5
113.02451	24.5
114.02780	1.0
119.03506	8.9
120.75681	0.5
124.18275	0.4
125.02467	1.0
128.03525	1.1
129.01921	1.0
130.08740	2.4
131.03493	0.8
137.09698	1.4
141.95776	0.7
143.03482	2.0
143.04625	3.1
143.11934	0.9
149.04509	0.7
152.08441	0.5
153.09201	0.8
159.02972	3.9
161.04556	17.1
162.04774	0.9
163.11272	0.8
179.05614	1.5
181.01823	0.5
189.12918	1.1
191.05563	0.6
195.13927	0.5
197.13170	0.5
197.15433	0.5
199.18080	0.5
205.03523	0.5
207.06950	25.0
207.13850	2.4
208.07228	1.4
225.07986	4.1
225.14932	8.2
226.15147	0.5
245.09244	1.0
256.20474	0.6
267.09119	1.8
357.21335	1.2
387.13263	100.0
387.20212	29.5
388.13617	12.1
388.20346	2.8
395.07971	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58713	0.7
59.01384	11.3
61.45610	0.8
61.98830	19.1
66.94789	0.8
69.03434	0.9
69.57629	0.8
70.27528	2.9
71.01385	6.0
72.05766	0.7
73.02944	1.7
85.02971	1.2
87.00897	1.3
89.02453	3.9
99.92592	7.3
100.93369	1.0
101.02445	3.5
108.04552	4.0
113.02458	2.3
114.94886	1.0
115.92061	5.4
116.92867	30.4
117.92849	2.5
119.03525	1.3
122.06108	2.7
132.04536	3.8
133.93980	0.9
146.06119	0.9
148.04042	1.0
158.02461	1.0
158.93872	1.1
160.04033	18.9
161.04562	3.4
162.05545	1.4
175.02708	1.8
186.01874	1.3
188.03545	11.4
190.05075	1.6
202.05182	1.2
204.03018	5.3
211.08627	1.2
211.12430	1.5
212.07211	2.1
218.04572	12.9
219.05034	1.2
220.06023	0.8
224.09338	1.0
225.14871	1.4
232.66299	0.9
238.11061	0.8
239.08179	1.3
239.11769	4.3
240.10310	2.2
241.06294	1.3
241.09837	0.9
250.01839	1.6
251.08217	3.1
251.12920	1.9
252.08917	2.3
253.06198	1.7
254.06841	2.0
255.07729	3.4
266.07983	1.3
267.07794	3.1
267.11349	14.8
268.05191	1.2
268.09567	3.3
268.12119	1.3
269.09247	4.4
281.05682	12.3
282.06058	2.9
283.07666	1.3
283.10898	5.6
293.09384	2.2
295.07266	5.4
296.08041	6.6
307.06451	6.6
309.08740	3.2
311.10388	100.0
312.10730	12.7
315.10123	2.0
337.08310	11.7
343.12936	3.1
355.04938	1.9
355.09326	34.5
356.09723	4.2
387.07425	5.9
387.11954	9.6
387.16464	2.0
387.20276	1.5
387.24704	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	387.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	3.0
58.00591	2.7
59.01379	33.1
61.98832	24.4
68.99796	2.7
69.64443	12.5
71.01380	40.8
72.99312	9.5
73.02938	2.9
74.02437	2.7
75.00877	22.6
78.24240	1.6
80.36470	1.9
82.02972	4.6
85.02951	38.3
87.00868	13.7
87.05639	6.9
88.04049	10.6
89.02450	12.6
93.02872	2.5
93.03458	47.1
95.01382	6.3
96.00922	2.2
96.96024	2.0
96.96957	1.9
97.49380	1.7
98.02459	2.6
99.00879	14.2
101.02403	5.1
102.05624	3.1
103.00364	4.1
109.01641	2.4
109.04058	2.0
113.02454	44.7
115.00362	5.2
115.08796	3.2
117.01942	5.0
119.03499	2.7
127.05149	14.0
128.03552	17.2
129.01936	2.6
130.06616	1.8
130.08730	17.4
132.51215	2.0
137.02440	85.0
138.02805	4.8
140.32051	1.9
141.06677	2.8
141.10283	2.6
143.11884	4.2
145.06184	10.8
151.08765	3.7
152.07307	2.4
158.09335	3.4
168.11433	3.3
175.02466	6.1
180.10321	2.7
183.11464	1.9
193.03461	4.0
193.05035	3.2
194.09308	1.8
197.12921	2.7
200.14128	2.6
210.07660	2.0
211.06100	15.6
223.10715	2.1
228.17236	2.0
238.08286	3.2
239.15129	13.3
241.11920	5.9
249.06142	24.0
249.67229	1.8
256.09439	3.3
257.16150	16.2
267.07193	100.0
268.07489	5.3
302.17688	1.9
343.20004	4.1
369.08017	2.9
369.17697	15.1
370.17682	2.3
387.09302	65.4
387.18842	10.7
388.09607	6.5
388.17664	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	385.198
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60334	0.8
59.01350	0.8
61.98832	100.0
70.85074	2.6
89.18921	0.8
114.26578	0.8
127.10291	0.8
130.08743	3.6
135.62025	0.9
178.94598	0.8
227.19763	0.9
322.20294	2.2
386.18283	0.9
392.78159	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.3
57.03458	3.1
58.00593	1.2
59.01381	26.5
61.98827	4.2
65.03956	0.4
66.43871	0.3
66.84154	0.4
68.99822	0.5
69.03456	1.2
71.01384	37.9
71.05025	0.9
71.52005	0.5
72.01739	0.6
72.99313	2.1
73.02950	10.2
73.04065	1.2
74.02470	1.4
75.00883	2.2
83.01390	3.9
83.05032	0.5
85.02952	16.4
87.00877	9.1
89.02447	16.9
93.03459	49.6
94.03776	1.7
95.01387	3.9
95.05003	0.5
96.96027	0.8
97.02946	1.1
99.00880	4.6
99.08151	0.9
101.02447	22.2
102.02776	0.5
102.05611	0.8
103.05083	0.8
109.06611	0.5
111.00869	0.8
113.02456	15.9
114.02818	0.7
114.60329	0.4
117.01919	0.4
119.03516	5.6
120.01289	0.6
125.02422	0.6
128.03566	0.9
129.01947	0.9
130.08754	2.9
131.03526	0.6
137.02446	100.0
137.09740	2.3
138.02766	5.0
138.06863	2.3
142.73763	0.3
143.03500	1.7
143.11900	1.3
145.10194	0.5
149.04518	0.5
153.05637	0.5
153.09230	5.9
155.03583	0.5
159.02980	2.7
161.04558	11.2
163.11348	0.5
169.09805	0.4
179.05621	1.5
189.12872	0.8
191.05685	0.8
192.11617	0.4
195.03020	0.4
196.09802	0.4
199.18188	0.5
207.13889	3.8
209.04572	0.8
225.07693	0.9
225.14951	13.0
226.15300	1.2
231.05090	0.4
245.09232	0.4
249.06158	17.9
250.06488	0.9
256.20343	1.1
297.17154	2.7
357.21530	1.3
372.92630	0.4
387.09177	2.9
387.16284	1.5
387.20844	4.4
387.30045	0.4
388.20868	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.4
56.53441	0.6
57.03459	4.6
57.60049	0.6
58.00597	1.1
58.54992	0.6
59.01379	100.0
60.01712	1.5
61.98840	1.3
67.01897	0.9
69.03458	64.5
70.03802	1.6
70.50973	0.7
71.01382	38.9
71.54278	0.9
72.99300	3.6
73.02952	6.7
74.02475	2.1
79.01920	2.3
81.68815	0.7
83.01371	4.2
83.05088	0.7
85.02949	14.5
86.00059	0.9
87.00875	4.4
88.04039	0.8
88.74514	0.6
89.02445	19.0
89.63885	0.6
93.03494	1.0
95.01398	4.5
95.05025	0.8
97.02949	14.4
99.00883	18.3
101.02444	19.1
107.05052	1.7
111.08176	1.4
113.02451	14.8
114.02869	0.7
117.98949	0.8
119.03487	5.8
123.00887	0.7
125.02450	1.2
129.01912	0.7
131.03493	0.8
137.09747	1.7
141.01926	5.1
147.08330	0.7
153.01862	0.7
155.10815	5.6
156.11211	0.7
159.02965	0.9
160.97804	0.9
161.04529	4.5
163.00389	3.1
163.11295	13.4
165.09215	2.4
171.08212	0.9
173.04495	0.8
177.09148	0.7
179.05679	0.6
179.10768	1.2
181.12332	28.6
182.12660	1.7
183.10382	1.3
185.00916	44.6
186.01256	2.3
187.11287	4.4
189.12828	4.9
190.09981	6.5
191.05626	0.7
199.09758	1.0
204.11528	1.5
205.12335	7.9
223.13478	2.1
247.13434	1.6
256.20361	0.8
268.53583	0.7
325.05789	0.7
342.20276	1.5
368.89304	0.7
385.11237	3.8
385.19086	2.1
391.15295	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1867
Annotation	Sonchuionoside A
Peak:m/z	Relative Intensity
55.01871	2.5
55.69430	0.5
56.95800	0.5
57.03440	3.7
58.00589	2.3
58.68808	0.5
58.71637	0.5
59.01378	59.2
60.01694	0.7
67.73394	0.4
68.02665	0.4
69.03467	0.8
69.33478	1.6
69.33904	2.4
71.01380	69.6
72.01712	1.8
72.99313	2.5
73.02946	11.6
75.00877	0.6
83.01381	4.6
83.05033	0.9
85.02950	19.5
86.03301	0.6
87.00882	2.1
88.04057	0.5
88.75021	0.6
89.02445	35.8
95.01387	4.8
95.05027	1.8
97.02947	5.3
98.19899	1.0
99.00877	5.6
101.02441	32.6
102.02788	0.9
105.07099	0.8
107.05038	0.8
108.05829	2.3
109.02907	0.7
109.06596	2.3
111.04510	1.7
111.08198	0.5
111.60470	0.5
111.99296	0.4
113.02451	27.1
113.06091	2.7
114.02782	0.9
119.03493	11.5
122.03777	1.2
123.08164	5.1
124.05396	0.5
125.02425	1.0
125.06089	4.1
126.59237	0.4
129.01938	0.5
129.10329	0.7
131.03522	1.5
135.08185	0.8
136.05330	2.9
137.06100	1.3
138.06865	25.0
139.07683	8.1
143.03506	2.2
149.04543	0.6
151.07643	21.8
152.04880	2.6
152.07091	0.8
152.08426	44.2
153.09209	100.0
154.09557	5.7
159.03021	5.0
161.04556	16.8
161.09761	0.7
162.04938	0.7
163.11273	4.3
164.11607	0.4
165.09186	1.9
167.07152	1.3
179.05562	2.5
187.11194	1.0
190.10002	1.5
205.12317	29.6
206.12636	3.1
223.13383	14.8
224.02049	0.8
224.13753	1.8
385.18686	6.9
385.24350	1.0
386.19296	1.0
404.32773	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53768	0.6
57.03440	3.0
59.01379	35.5
61.98820	0.9
69.03452	1.2
71.01379	14.8
83.05025	2.5
87.00904	3.7
101.02429	1.0
109.06587	1.0
115.00379	10.4
118.13383	0.6
123.04384	0.6
133.01454	4.0
165.12834	12.5
166.13159	0.8
179.10767	1.2
181.12334	2.6
194.40579	0.7
207.13901	4.9
209.11839	13.6
210.12238	0.8
223.09766	1.4
225.14914	5.0
226.15224	0.7
235.66214	0.7
251.13040	1.9
269.13928	100.0
270.14246	9.0
312.12531	0.6
385.22455	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	384.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82740	1.0
55.01872	0.9
57.03445	5.3
58.02962	1.1
59.01381	60.5
61.98830	9.3
65.31719	0.7
69.03435	1.3
71.01384	23.9
71.54349	1.6
73.02960	1.4
75.00864	0.8
78.91868	2.0
83.05031	2.9
85.02949	2.9
87.00882	2.4
88.04043	80.1
89.02442	6.8
89.04406	1.2
93.03468	1.5
95.01414	1.0
101.02441	4.7
107.08661	1.7
111.00888	1.1
113.02432	4.3
115.00373	21.1
119.03516	2.7
128.03587	1.0
132.03035	8.0
138.09222	1.0
141.66974	1.1
144.94028	1.2
150.09245	2.4
153.09206	1.9
161.04533	1.3
163.11366	0.9
165.09184	1.6
165.12865	2.6
181.12300	1.3
183.57587	0.9
187.11191	2.0
188.93069	1.2
189.12921	1.1
191.05571	1.7
197.57468	0.8
205.12358	2.9
207.13889	2.4
208.13382	1.3
209.11812	3.9
223.09979	1.0
225.14867	1.1
235.43610	0.9
251.12872	1.9
268.15536	21.6
269.13873	27.9
270.14352	3.0
278.17563	4.4
280.15561	10.8
281.15839	1.0
309.08896	1.0
322.16577	17.8
323.16968	2.7
324.14471	1.5
340.17670	4.2
366.15494	5.2
366.95990	3.2
384.16629	100.0
385.17026	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	385.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69180	0.2
53.12752	0.2
57.03444	0.7
59.01370	0.7
61.98821	0.3
62.59223	0.2
65.00327	0.6
71.02016	0.6
81.03456	7.2
83.01398	1.7
88.50207	0.3
107.01389	1.1
113.09705	0.8
115.07635	0.8
118.91032	0.2
121.02934	0.3
122.03745	1.5
123.04528	0.3
125.02446	7.9
125.03329	0.5
126.02782	0.4
137.09727	3.5
138.10080	0.3
139.07645	5.4
149.02434	1.2
151.00354	1.6
151.19812	0.2
155.10838	0.3
179.10770	27.2
180.11073	1.9
205.08699	1.0
219.10254	0.4
223.09747	100.0
224.10068	8.3
247.09726	0.6
265.10794	0.7
317.17499	0.3
385.41315	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01788	0.8
58.99608	1.1
59.01392	5.1
61.60237	1.1
61.98826	1.8
71.01373	2.8
71.22326	1.4
71.22659	1.3
73.04079	1.8
86.02480	2.1
89.02463	1.8
93.03442	1.1
96.96014	8.3
96.96967	1.6
101.02363	0.9
109.01711	1.1
109.06637	0.9
114.05602	3.9
119.05000	1.1
120.01274	1.0
121.02926	1.2
149.02431	3.5
151.39732	1.0
164.04756	3.8
172.10909	1.0
191.05545	1.4
191.10699	0.9
201.12708	2.0
205.12384	5.4
207.13893	16.3
208.03734	2.6
208.14246	1.4
223.06119	7.9
223.11626	19.6
224.11931	1.1
253.12672	35.6
254.12990	2.7
263.12857	2.1
297.08286	1.0
297.11624	22.4
298.12045	1.9
352.11429	1.4
384.14874	100.0
385.11469	4.5
385.15662	14.6
385.20499	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	384.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.7
61.98819	4.6
68.75354	1.1
69.26498	5.2
69.26926	4.6
71.01377	5.1
85.02941	1.4
86.02481	3.0
89.02437	1.7
93.09604	1.2
96.82687	1.2
99.92600	3.0
101.02412	1.8
112.67388	1.2
114.05568	2.2
115.92072	3.0
120.01236	2.0
134.03845	1.1
141.23920	1.1
149.02435	4.1
164.04784	4.7
169.09818	1.3
179.07135	1.3
205.12292	10.0
207.13885	14.0
208.03777	3.8
223.06128	9.6
223.11601	34.3
224.11885	2.4
253.12650	36.5
254.12965	5.8
255.03116	2.5
265.92410	1.2
284.03198	4.2
297.11591	20.7
298.12021	1.8
304.06851	4.7
384.14850	100.0
385.15088	17.4
385.20700	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	383.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
70.11924	10.4
70.12326	8.5
80.40816	4.1
90.02161	3.8
94.78953	4.1
98.20020	4.2
145.09854	30.3
166.41252	4.3
231.05872	3.8
316.91101	4.5
344.82443	4.1
347.25784	4.9
383.32788	50.4
384.32986	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	383.083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90818	1.0
59.01376	5.3
61.98819	3.6
69.98875	4.6
69.99253	2.2
71.01389	3.8
72.99307	4.7
73.97620	1.0
78.95878	1.4
85.02938	9.1
85.31371	1.2
87.00885	2.0
87.22718	1.2
89.02486	2.8
91.01878	1.0
93.03440	3.3
96.95999	2.3
108.31293	1.1
119.03485	1.6
119.05024	2.7
127.04012	1.5
129.01942	2.6
131.08276	2.0
152.95920	2.4
163.03986	1.3
170.96950	3.0
173.04575	1.5
179.07227	1.2
185.02196	1.5
191.05602	100.0
192.05972	5.6
227.79613	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	382.1007
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
51.30577	0.3
55.92902	0.3
59.01389	1.1
61.98824	1.7
70.85857	0.7
70.86198	0.4
71.01381	10.7
72.01723	0.4
73.89294	0.3
74.87300	0.3
74.90619	0.3
75.44948	0.4
85.02945	0.6
86.66474	0.3
87.02724	0.4
89.02433	0.8
92.02544	1.3
96.20197	0.3
100.00378	0.8
101.02435	1.0
107.03635	3.0
113.02457	0.4
115.00371	15.0
119.03625	0.8
119.05026	1.0
128.68504	0.4
130.72514	0.4
133.03955	0.7
134.04729	100.0
135.05209	2.6
135.06737	0.6
146.04753	0.6
146.56110	0.3
155.33614	0.3
160.06224	0.6
161.04599	0.7
162.07851	8.8
163.08154	0.6
164.55504	0.3
173.67998	0.4
188.05762	1.2
206.06824	34.2
207.07211	1.6
232.04826	0.8
250.05841	3.6
251.11362	1.3
266.08945	5.0
382.10025	25.0
383.10385	3.3
383.15332	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70761	2.2
53.16337	2.6
54.35381	2.6
55.62254	2.3
57.74896	2.3
59.01378	100.0
69.95071	4.5
69.95467	9.0
83.92554	2.6
84.72942	2.2
99.42857	2.6
190.20665	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22693	0.4
56.38766	0.5
66.22714	0.5
68.16604	0.6
70.27551	0.9
70.27899	1.7
71.05005	1.1
74.95081	0.6
98.20515	0.6
113.94685	0.6
115.25789	0.5
127.11242	0.7
151.11284	1.0
152.99564	0.9
153.07344	0.5
153.12833	3.7
163.11302	2.2
165.12877	4.0
170.05827	2.5
179.10776	12.0
179.12241	1.0
180.11079	1.1
181.12334	33.3
182.12653	2.5
195.10237	2.9
197.11830	2.8
199.13387	100.0
200.13702	7.1
215.12830	1.2
216.39218	0.6
289.69623	0.6
350.12479	0.5
363.25317	5.8
364.25854	0.8
381.26434	4.6
388.79446	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.7
61.98813	1.7
70.32944	0.6
71.54595	0.7
78.95893	2.4
137.06061	1.2
140.04129	0.6
149.06036	1.1
151.07674	1.3
152.99565	3.1
170.05838	4.4
192.11555	0.9
199.13484	0.7
204.21094	0.6
233.19067	2.3
235.20749	1.5
249.18622	1.1
251.20213	3.4
277.18069	83.2
278.18399	9.3
279.19635	26.9
280.19962	3.9
295.19122	100.0
296.19479	13.3
345.24530	0.9
363.25357	16.2
364.25815	2.2
381.26596	6.3
382.26672	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88018	0.4
56.11705	0.4
66.50760	0.4
75.12553	0.4
78.95916	1.1
101.06097	0.5
109.06602	0.7
134.89905	0.4
137.06053	0.9
138.06870	1.0
139.07657	0.5
151.07648	1.4
152.99574	1.8
164.08395	0.7
164.57660	0.4
169.88678	0.4
170.05846	5.0
192.11642	0.6
217.16014	0.5
219.17720	0.5
233.19130	1.6
235.20644	1.7
249.18588	0.4
251.20110	3.1
252.20601	0.6
259.17252	0.5
261.18555	0.9
277.18085	82.9
278.18442	10.6
279.19662	28.0
279.22812	0.9
280.20084	3.8
295.19138	100.0
296.19479	12.7
345.23819	0.7
363.25400	15.5
364.25726	2.8
381.26440	6.3
382.26620	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.8
57.03434	0.6
58.00600	0.8
59.01382	17.5
61.98830	3.6
65.84335	0.4
69.44178	0.5
71.01382	10.8
72.00883	0.4
72.99300	1.0
73.02947	3.3
76.12024	0.4
81.03457	1.0
83.01395	1.8
83.05021	3.7
85.02946	5.4
87.00900	0.8
89.02439	6.0
93.03449	1.1
95.01388	1.1
96.95985	0.5
99.00889	1.5
101.02441	9.6
101.06069	2.5
113.02459	4.4
119.03510	1.7
125.09720	1.1
128.03551	0.6
137.02432	1.5
141.13507	0.5
143.10780	3.3
145.05084	5.1
156.63612	0.4
160.04095	0.8
161.04591	1.3
163.03918	0.5
173.11844	1.0
191.05655	0.5
201.11301	4.0
219.12357	8.4
220.12817	0.5
249.06104	0.7
321.15573	1.2
323.13599	0.5
363.16769	1.3
381.17676	100.0
382.18228	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	381.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26833	0.9
53.90187	0.9
55.01880	5.2
57.03455	4.5
58.00584	2.0
59.01377	52.4
61.98813	2.1
66.53638	0.8
69.03440	1.0
71.01378	63.8
71.39439	1.1
71.52532	0.9
72.99315	4.8
73.02557	1.4
73.02944	23.2
75.00853	1.7
80.90331	0.9
83.01378	13.3
85.02944	29.2
87.00887	4.7
89.02440	20.3
93.03460	1.0
95.01379	4.2
97.02931	1.9
99.00876	9.1
101.02439	63.0
102.02780	1.3
111.00856	2.8
113.02442	21.1
115.03949	1.3
119.03456	2.0
125.02438	3.2
129.01913	2.0
131.02542	1.6
131.03497	22.5
132.03816	1.2
142.69670	0.9
143.03487	3.3
143.04546	1.4
147.04494	1.2
149.04546	3.9
152.99579	1.2
153.87282	0.9
153.88864	0.9
159.03000	5.3
161.04549	21.8
164.07126	2.5
191.05522	1.3
209.11626	1.1
233.06613	2.8
249.13409	100.0
250.13734	6.9
276.54459	0.9
277.14551	0.8
289.11902	1.6
293.12381	1.2
333.10858	1.2
381.12729	2.2
381.17651	46.7
382.18005	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	381.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51157	0.7
54.49758	0.8
55.01880	4.6
56.55608	0.7
57.03453	4.7
58.00605	1.3
58.72538	0.8
59.01382	33.1
61.98849	0.7
69.03474	1.3
69.60265	4.0
71.01384	44.8
72.99328	2.4
73.02945	20.9
73.03354	1.0
75.00907	2.3
83.01384	10.0
83.01804	0.7
85.02953	26.3
85.03461	1.3
85.06600	0.7
86.00108	1.3
87.00878	2.3
87.08157	1.0
89.02447	10.3
95.01408	3.0
97.02948	1.7
99.00884	8.7
101.02446	50.2
102.02798	1.8
105.05537	0.8
111.00897	1.6
113.02457	17.1
117.03490	0.9
119.03574	0.8
125.02458	3.1
129.01973	1.8
131.03514	2.7
143.03496	2.9
145.02921	3.5
159.02977	4.5
161.04555	19.1
163.04016	1.5
172.89424	0.8
187.03966	0.9
200.10413	0.9
202.68602	0.7
233.06625	2.0
249.13423	100.0
250.13765	8.2
255.81978	0.8
309.09619	1.4
323.17319	1.1
363.19202	0.8
381.17593	53.1
382.18021	8.8
391.38120	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	6.4
57.03445	4.5
58.00582	1.3
59.01379	34.5
69.03456	1.0
69.96185	2.1
69.96574	1.3
71.01382	51.7
72.01717	0.8
72.99304	2.5
73.02945	28.1
75.00867	1.9
81.03452	1.3
83.01384	12.0
84.01684	0.8
85.02952	29.3
85.06558	1.0
86.00077	1.5
87.00875	3.6
87.08156	0.9
89.02438	10.4
91.37445	0.7
95.01383	4.2
96.01746	0.8
97.02943	2.2
99.00880	12.4
101.02442	62.7
102.02744	0.8
111.00906	1.5
113.02449	20.9
113.23392	0.7
115.04034	1.8
117.03481	6.2
119.03535	1.1
119.05029	6.5
120.33154	0.7
125.02441	2.6
129.01903	1.9
131.03494	2.8
143.03513	2.5
145.02946	25.0
145.46838	0.7
146.03313	1.5
157.08679	0.9
159.01901	0.9
159.02963	4.9
161.04572	22.2
161.05951	1.3
163.03995	6.1
187.03949	2.5
191.05682	0.7
233.06635	2.7
249.07884	2.3
249.13425	100.0
250.13776	7.2
258.14151	0.8
309.09805	5.2
381.17627	86.2
382.18002	10.1
399.77951	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44577	1.1
54.97478	0.8
55.50188	0.9
59.01380	1.7
59.96724	1.9
60.23616	1.1
60.97517	1.0
71.54045	1.4
74.99075	24.4
75.96231	1.3
81.03536	0.9
81.86211	1.0
91.02209	43.2
93.00134	12.6
135.35822	0.9
143.05376	1.7
159.08466	100.0
160.08723	7.3
161.06383	10.8
197.89143	1.0
199.98210	1.2
365.11072	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	381.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89849	0.7
53.22906	0.6
57.03439	0.6
58.67678	0.6
59.01111	0.9
59.01380	14.1
61.98822	1.5
70.87670	0.7
71.01381	13.7
71.51357	0.8
72.99308	1.2
73.02956	4.3
75.00874	1.2
76.51422	0.7
83.01382	1.9
85.02956	7.9
87.00903	1.3
89.02446	5.9
93.03455	1.2
95.01364	1.0
95.54671	0.6
96.00909	0.7
101.02453	9.9
109.06568	0.9
113.02452	5.0
114.05634	0.8
115.00339	1.2
119.03484	2.3
119.04937	0.9
131.07196	1.1
135.04509	1.1
137.24724	0.8
139.07707	0.7
153.09232	2.1
173.10445	0.8
173.11797	2.5
175.38620	0.6
177.04276	1.9
178.66226	0.6
189.01970	0.7
191.05624	5.9
192.06679	1.4
201.11295	5.6
219.12373	11.4
220.12756	0.7
249.06143	3.0
253.19183	0.7
260.07733	0.8
323.13477	3.9
345.11563	0.7
364.16772	1.1
381.17639	100.0
382.11713	3.0
382.17941	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	379.2853
Annotation	Persin
Peak:m/z	Relative Intensity
59.01373	2.5
61.67583	0.7
61.98834	6.7
63.32178	0.7
69.93839	0.7
71.22368	1.3
71.71492	0.7
72.10869	0.8
74.57709	0.7
77.88736	0.8
96.43351	0.8
99.92600	6.9
100.90450	0.9
100.92624	0.8
115.92077	3.7
116.92861	8.5
261.18631	1.3
279.23328	1.7
347.25906	8.4
348.26273	1.0
379.15768	4.9
379.28506	100.0
380.28799	19.8
380.32980	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.9
61.17161	1.3
61.98829	9.5
70.69434	2.7
70.69803	2.8
71.01401	2.6
72.00921	3.2
73.02927	1.3
78.95911	2.5
82.03007	1.3
82.65165	1.2
85.02935	2.1
89.02441	2.6
90.56904	1.1
92.05068	2.4
96.96021	19.3
100.04059	2.3
113.02449	1.9
116.05074	3.8
117.26809	1.1
119.04996	1.4
120.01228	1.4
128.05101	1.6
130.06621	1.4
131.03778	3.9
132.04579	8.2
142.06697	1.5
144.04532	9.3
151.02641	5.2
156.06915	5.7
157.07657	5.2
158.04855	2.0
158.06082	2.5
159.05606	2.3
160.04053	10.3
167.06151	9.9
169.07735	3.8
171.09285	8.5
172.03935	2.2
173.07196	10.5
176.07117	1.6
181.07713	51.6
182.06050	3.4
182.08003	6.5
187.08760	3.0
188.05917	1.7
197.07217	5.2
199.08777	34.0
200.09196	2.8
201.06683	3.6
213.06671	1.8
215.18329	1.3
217.09828	3.6
226.05069	3.4
243.07733	25.0
244.08092	2.4
261.08798	100.0
262.09167	9.5
283.06775	2.0
334.30023	1.3
363.11969	3.2
381.08139	2.4
381.12958	19.0
381.17828	2.4
382.12875	2.0
393.39175	1.4
401.46017	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1973
Annotation	JBIR-57
Peak:m/z	Relative Intensity
55.01880	1.5
57.03446	1.3
58.00580	0.9
58.37437	0.5
59.01382	33.2
69.20047	3.8
69.20475	1.9
71.01385	17.8
72.99313	1.2
73.02943	3.8
83.01393	3.6
83.01812	0.6
85.02946	8.0
85.06589	0.9
86.00073	0.5
87.00884	1.0
88.57947	0.6
89.02444	7.6
93.03542	0.5
95.01373	1.6
99.00890	2.4
101.02438	12.2
107.65844	0.6
111.00912	0.8
113.02450	5.8
119.03487	2.6
161.04521	0.6
171.13896	0.9
173.04549	2.0
179.05733	0.6
181.12286	1.1
184.78690	0.6
199.13400	7.3
200.13737	0.7
207.45683	0.6
217.14462	7.1
233.06622	2.8
326.39600	0.6
344.13156	0.8
361.18646	15.6
362.19125	2.3
379.19714	100.0
380.20038	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	379.1609
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01872	2.1
55.86208	0.6
57.03440	2.3
57.80927	0.7
58.00582	3.3
59.01378	92.3
60.01717	0.8
61.98817	2.9
63.92995	0.7
69.03450	0.9
69.18118	3.5
69.18546	3.7
71.01380	73.0
72.01718	1.5
72.99306	3.3
73.02942	10.8
75.00854	1.1
83.01385	4.9
85.02946	15.3
86.03279	0.8
87.00881	3.6
89.02444	100.0
90.02769	1.9
92.45388	0.8
95.01396	3.4
96.52840	0.7
97.02962	2.0
97.56551	0.8
99.00883	2.8
101.02438	43.3
102.02787	1.2
113.01611	0.9
113.02450	24.7
119.03499	27.2
125.02451	2.9
131.03502	13.0
143.03500	5.9
143.07120	0.8
149.04553	24.0
157.08661	1.6
161.04550	9.5
173.04633	0.8
179.05597	20.4
180.05937	1.0
191.05620	6.5
216.20741	0.7
217.10794	2.3
244.97072	0.9
247.11841	14.1
262.77435	0.7
291.47809	0.9
326.47028	0.8
363.36563	0.8
379.15967	13.0
380.16574	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.4
61.98830	100.0
70.95066	0.8
74.30775	0.4
114.96602	0.4
206.96873	0.5
253.03838	0.4
303.87891	0.4
378.18863	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	379.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.3
57.03448	1.2
58.00591	3.4
59.01380	84.5
60.01725	1.3
61.98831	7.6
68.76590	0.7
69.03464	2.0
71.01384	68.1
71.53918	0.8
72.01726	1.7
72.99310	3.7
73.02947	18.2
74.03296	0.7
75.00906	0.9
83.01398	3.3
85.02952	14.1
87.00880	2.9
87.32352	0.8
88.04023	0.9
89.02445	100.0
90.02778	2.2
93.03481	1.2
95.01385	2.7
97.02957	2.4
99.00877	25.0
101.02441	42.8
102.02792	1.2
113.02448	22.1
119.03502	16.7
119.04947	0.9
125.02448	6.5
125.63183	0.7
129.01906	0.8
130.08716	2.7
131.03517	15.8
134.04727	0.9
143.03535	4.6
143.07079	1.3
149.04552	42.8
149.09727	0.9
150.04916	0.9
157.08727	1.9
159.02980	0.9
161.04552	8.1
162.05623	1.5
173.04520	2.0
179.05617	8.4
191.05617	14.2
217.10857	2.1
221.06705	2.0
233.06592	3.7
247.11862	11.9
251.07642	2.5
257.89725	0.8
263.17413	0.7
293.08795	1.2
316.18649	1.6
320.11697	1.0
329.11465	1.0
338.86490	0.8
379.16025	32.8
380.16623	3.8
380.23056	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	378.167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	24.6
60.42250	1.4
61.98838	2.9
70.02978	2.3
71.01378	6.4
71.02506	3.5
71.54518	2.4
74.02493	7.9
74.02858	1.8
81.02196	7.2
82.02996	3.4
83.01356	1.6
83.97044	1.3
85.02968	2.8
87.05627	3.6
89.02457	3.7
93.03483	2.2
96.00916	41.5
98.02477	38.2
101.02432	3.4
109.01694	6.2
113.03577	25.0
114.01998	2.0
116.07172	39.3
119.05005	2.4
121.04053	1.6
124.07690	12.1
129.10365	8.8
131.05028	2.6
132.88525	1.8
145.02899	2.5
149.07185	3.6
151.08803	1.8
152.07117	2.5
157.08658	2.6
160.07664	2.9
161.04660	2.4
163.08777	3.2
171.10301	2.3
174.05620	2.9
196.06091	3.3
198.11192	2.2
200.07196	15.1
202.12360	15.7
212.09682	1.8
216.07904	2.8
217.10820	3.5
233.06538	2.5
243.07846	2.5
245.12927	7.1
246.11316	13.5
246.13414	2.0
255.14928	1.7
259.14474	2.0
261.08954	1.8
263.14063	2.6
270.06271	3.4
280.09717	2.1
281.12836	2.0
285.08752	14.5
287.07025	2.2
299.14099	2.6
317.11407	4.1
334.17648	12.0
343.12976	100.0
344.13193	10.7
360.15588	33.5
361.15604	3.0
378.17313	2.8
379.11734	2.4
379.19717	12.7
384.39911	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16676	2.0
54.07913	2.0
58.02981	3.4
59.01382	73.2
61.98833	25.9
71.01389	15.3
72.99309	3.5
73.04021	2.2
77.47356	2.2
79.39347	2.4
80.30630	2.2
85.02953	6.1
89.02452	8.9
99.00884	2.9
99.04523	4.1
101.02457	7.1
109.02936	5.3
113.02440	8.8
113.03583	3.2
114.05611	94.2
115.05925	3.0
119.03500	5.0
128.10875	2.8
130.08742	3.2
135.04483	3.7
139.05156	2.8
146.06041	3.4
153.01926	5.1
156.06656	100.0
157.07057	5.3
161.04524	2.8
170.08191	4.2
172.09767	8.9
179.05647	2.9
198.07719	3.2
267.07208	5.8
315.16742	4.0
334.14102	3.7
335.14487	3.0
341.10876	4.5
379.12146	6.7
379.16190	9.1
379.20267	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	377.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70830	0.8
54.33512	0.9
59.01378	21.6
66.57294	1.0
70.96927	1.6
70.97268	1.4
95.05001	1.3
101.45178	1.0
125.09688	1.4
131.68872	1.0
171.10263	33.9
172.10576	1.4
191.06886	1.1
211.48918	1.0
249.22440	1.2
277.21716	37.8
278.22046	6.0
295.22763	100.0
296.23138	12.8
317.20956	29.8
318.21146	4.5
333.22849	1.3
335.20630	1.3
361.19974	5.8
377.22858	19.7
378.22913	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	377.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.2
55.85807	0.3
56.94904	0.3
57.03435	1.1
58.00584	0.9
59.01383	20.6
60.01716	0.4
62.33255	0.4
71.01386	18.5
71.53776	0.6
72.99320	1.7
73.02954	2.6
73.81913	0.3
83.01396	2.8
85.02953	5.1
87.00851	1.7
89.02444	7.2
95.01390	1.5
97.02960	0.3
99.00892	1.4
99.04487	0.5
99.08158	2.8
101.02446	9.0
111.00908	0.8
113.02451	4.0
113.09711	0.6
119.03497	2.6
146.03395	0.3
155.10770	1.1
169.15967	2.3
197.10162	0.4
197.15485	5.3
201.11304	0.5
210.35672	0.3
215.16515	26.0
216.16878	2.1
232.05051	0.4
334.20251	0.5
359.20929	2.0
367.34125	0.3
377.21793	100.0
378.22128	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	377.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02967	1.4
58.99465	1.1
59.01380	100.0
60.01683	1.5
60.98651	1.2
61.98790	2.0
65.92889	1.2
70.16440	5.1
71.01385	19.2
72.00905	3.0
72.99282	1.7
73.02940	4.5
73.04075	1.8
83.01381	2.1
85.02956	8.4
87.00883	1.4
87.54852	1.3
89.02436	15.2
91.05518	3.3
92.13059	1.0
93.03433	1.2
94.25980	1.1
95.01405	2.3
96.00922	4.7
98.02467	4.5
98.20580	1.1
99.00841	2.6
99.04499	1.4
101.02440	17.0
103.98922	1.3
109.01694	3.0
111.01981	1.7
113.02453	7.5
113.03580	7.3
115.08787	8.5
116.07175	2.7
119.03500	3.9
120.01232	1.8
120.11199	1.5
125.07174	1.5
126.05593	3.3
130.08742	2.2
135.04526	1.3
137.02417	2.4
141.06653	1.9
143.08221	1.8
145.15613	1.2
147.04543	10.0
151.08760	3.0
152.07185	2.0
152.08284	1.7
153.06653	2.5
153.09212	2.5
159.02966	2.1
161.04533	7.0
164.07164	24.4
170.09233	1.7
171.06674	1.3
171.10231	2.1
172.10880	2.4
173.04410	1.4
179.05557	2.1
191.05595	3.8
194.09486	1.9
195.07712	3.4
197.08151	1.8
198.11292	2.1
200.07188	1.6
211.12036	3.1
212.10373	2.7
215.12828	3.9
219.15005	8.4
224.09302	3.3
227.08238	3.0
242.10738	1.6
245.12988	1.7
257.09357	1.8
257.12903	4.6
263.14014	2.4
274.15582	2.4
315.13437	2.3
333.18906	1.3
334.17618	2.2
341.10837	5.2
342.11810	3.0
343.13083	10.6
360.15659	12.0
377.08554	3.4
377.18158	55.5
377.21429	4.0
378.18546	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	377.0645
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.1
61.98827	1.2
69.77786	1.5
71.01376	1.1
73.02962	0.4
89.02449	1.0
95.08936	0.3
97.06604	0.4
97.32581	0.2
98.19995	0.6
99.00887	0.5
99.82597	0.2
101.00658	0.4
101.02431	0.8
107.04982	0.3
113.02438	0.4
118.20435	0.2
119.03461	0.3
124.04043	0.4
125.04408	0.3
134.03748	1.2
135.04524	100.0
136.04851	5.0
148.59760	0.3
151.04018	1.1
153.09256	0.8
161.04541	0.3
171.10323	0.6
179.03499	6.2
179.05333	0.4
179.05652	0.4
180.03763	0.4
185.34142	0.3
191.05678	0.3
197.08173	0.7
215.09236	3.1
216.09685	0.4
243.32318	0.3
257.12628	0.3
293.11957	0.3
297.09805	5.2
298.10156	0.6
341.08688	14.4
342.08926	1.7
359.31641	0.3
377.06219	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	377.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60302	3.9
55.06889	3.8
59.01377	36.0
61.98834	12.9
70.65364	12.5
71.01392	26.9
73.11499	4.4
89.02454	38.3
99.04498	4.7
101.02445	11.6
113.02458	17.1
119.03493	13.0
121.19066	4.2
121.65664	4.2
135.04518	8.2
143.03584	5.9
171.95900	3.8
179.05614	17.5
215.03296	20.6
232.84457	3.7
305.32724	4.1
323.15076	4.6
341.10886	100.0
342.11041	7.9
377.08591	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.5
59.01379	100.0
60.01719	1.3
60.79939	1.0
61.98815	3.9
71.01381	13.1
71.54090	1.4
72.99267	1.4
73.02945	3.6
83.01385	1.5
85.02946	7.3
89.02441	10.4
93.03437	1.1
96.00916	1.4
97.06566	2.4
98.02486	2.3
99.00883	2.4
101.02438	9.2
108.04520	1.7
113.02432	5.7
113.03594	1.2
114.60389	1.0
119.03493	2.3
119.04921	1.2
145.03001	1.5
147.04494	2.5
151.08783	2.0
152.07147	4.0
159.02989	1.0
161.04520	5.5
164.07190	5.2
165.46393	1.1
168.35310	1.1
177.99677	1.3
178.45607	1.0
192.01230	4.7
197.11787	1.4
214.12463	1.0
215.12915	4.9
227.08250	7.3
242.10602	6.0
248.03833	3.8
256.08545	1.1
257.12927	37.1
258.13278	3.8
299.13943	1.6
317.16251	2.2
341.10782	2.5
343.12988	12.9
345.10846	3.3
346.10889	1.3
360.15616	5.2
374.99805	1.2
377.08316	4.1
377.18103	49.5
377.21417	2.6
378.18597	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	376.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71402	1.0
59.01378	100.0
60.01695	1.5
61.98835	5.7
66.91104	0.9
70.10013	4.7
71.01380	13.1
73.02947	4.5
78.95905	1.4
83.01371	1.3
85.02954	5.7
89.02447	4.9
96.96965	1.3
98.19913	1.0
99.00893	3.0
101.02444	10.0
113.02465	5.4
119.03507	0.9
128.03513	2.6
135.04521	5.0
139.84859	0.9
141.01772	1.0
143.03549	1.1
159.02995	1.1
161.04535	12.8
162.62900	0.9
179.05585	1.6
215.03270	1.1
268.20340	1.3
316.13983	14.1
317.14319	1.9
331.07050	1.0
341.11111	6.6
376.15292	1.7
376.19455	2.0
377.08545	3.6
377.19370	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	376.2243
Annotation	Ile Val Phe
Peak:m/z	Relative Intensity
51.35989	0.9
59.01378	14.8
61.98824	2.5
66.03468	1.1
67.19957	0.9
69.51825	2.0
69.52228	4.9
71.01393	5.1
72.00921	5.2
72.99284	0.9
73.02948	2.2
82.06643	0.9
85.02946	1.4
89.02426	3.4
90.90016	0.8
91.05544	5.2
95.01346	1.2
96.95973	1.1
98.02477	1.0
99.04520	3.4
101.02420	2.1
112.07688	1.3
113.02392	1.0
115.00382	1.1
115.08771	15.7
116.07171	2.6
118.06616	2.6
119.03515	1.2
125.07156	1.8
129.10347	10.3
130.08737	12.6
131.05003	1.1
138.21931	0.9
139.05141	1.9
139.08760	1.0
147.04529	20.0
148.04857	1.3
155.10771	3.0
164.07167	59.1
165.07478	3.3
171.10236	1.3
173.04567	1.3
181.06171	1.1
181.13470	2.6
183.15047	2.9
185.11852	1.0
187.34758	1.0
191.05640	1.9
197.11737	0.9
199.09740	2.3
210.16158	3.4
211.14555	7.0
215.03496	1.2
216.13928	2.9
219.15028	9.5
228.17162	40.8
229.17485	3.0
244.12784	0.9
245.13029	1.1
274.11996	1.0
317.16116	1.2
321.17236	1.1
332.23447	9.8
341.11044	2.1
359.15570	1.0
376.22403	100.0
377.08978	1.2
377.18246	2.0
377.22601	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	375.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38574	0.5
55.01881	0.9
57.03440	1.1
58.00587	1.6
59.01377	45.8
60.01699	0.9
69.52392	3.7
71.01380	24.1
72.01694	0.5
72.99309	2.4
73.02942	1.3
81.64680	0.5
83.01375	2.0
83.95511	0.5
85.02956	4.8
87.00891	1.4
89.02443	20.6
89.94227	0.5
95.01368	1.2
99.00868	0.8
101.02439	16.1
113.02441	7.8
119.03498	7.9
131.03516	0.7
161.52948	0.6
162.74713	0.5
195.13899	9.8
213.14944	4.7
214.15260	0.6
357.19150	1.2
375.20203	100.0
376.20502	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	375.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01727	1.0
67.42594	0.6
71.01402	2.0
71.53566	0.6
89.02434	3.9
91.89783	0.7
99.00887	0.7
99.32546	0.6
100.73309	0.6
101.02482	0.9
102.65746	0.7
113.02471	1.0
119.03518	1.7
155.59488	0.7
170.91553	0.6
179.05620	0.7
241.00165	0.6
375.27463	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	46.5
71.53734	2.9
82.19618	1.9
95.05029	2.8
121.10243	27.0
149.09630	2.2
150.49342	2.2
171.08794	3.7
171.10266	65.2
172.10625	3.7
177.16414	2.0
178.58252	1.9
185.11812	2.2
207.10072	2.3
231.21114	5.2
237.65125	1.6
253.09297	3.1
275.20151	100.0
276.20453	12.2
278.11380	8.1
293.21240	81.3
294.21533	10.7
297.18338	2.2
302.52151	2.0
315.15643	2.2
315.19391	46.1
316.19711	3.6
347.57928	1.7
359.18304	6.5
375.21323	31.9
376.21536	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	375.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49591	0.8
58.33161	0.7
60.24916	0.7
64.90410	0.7
69.43705	0.7
74.99071	3.9
98.19843	1.4
103.04494	0.8
143.05353	1.2
159.08467	9.7
160.08861	0.8
161.06384	3.2
192.98047	1.4
209.01286	3.1
217.07227	2.3
275.05936	0.9
277.07526	2.6
278.65173	0.8
289.07645	2.7
291.09100	100.0
292.09216	16.2
357.13739	1.9
359.15335	97.3
360.15488	20.7
375.18466	7.2
376.18341	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	375.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87638	0.5
55.01872	1.2
57.03449	1.0
58.00588	0.9
59.01381	12.8
61.98807	0.5
69.03432	0.7
71.01382	8.9
71.54324	1.1
72.99306	1.0
73.02950	2.5
75.10761	0.5
76.57787	0.5
83.01392	2.5
85.02955	4.5
87.00870	1.3
88.52509	0.5
89.02444	3.2
95.01408	0.8
99.00890	0.8
99.99538	0.5
101.02442	6.2
111.00900	1.2
112.25407	0.5
113.02454	2.5
118.40279	0.6
119.03484	1.3
121.81678	0.5
130.77475	0.5
157.69344	0.6
195.13879	1.4
213.14951	26.3
214.15280	2.5
230.51031	0.6
298.51007	0.6
357.19095	1.2
375.20212	100.0
376.20572	14.6
389.97208	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34211	0.7
54.90531	0.7
59.01383	0.9
61.03871	0.8
71.22208	1.8
74.99081	3.8
140.50517	0.9
143.05296	1.4
159.08469	13.0
161.06371	2.0
208.40968	0.8
208.73740	0.8
209.01230	2.9
217.07166	1.2
275.05954	1.0
277.07489	2.7
289.07605	1.5
291.09100	96.9
292.09210	13.7
334.19827	1.1
349.32626	0.8
357.13660	2.3
359.15335	100.0
360.15536	20.0
375.18433	5.5
376.18243	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	375.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.4
56.18428	1.5
57.03431	2.5
58.00589	2.1
59.01379	50.6
60.88485	1.0
61.98839	1.9
69.03458	2.0
69.56821	8.6
71.01380	35.8
71.05020	1.2
72.99321	1.7
73.02943	3.4
75.02557	1.1
80.02641	1.4
83.01404	2.1
83.05065	1.4
85.02956	11.8
89.02448	20.1
89.25776	1.1
94.04266	1.3
95.01377	2.5
95.05013	6.5
97.06589	5.7
98.03725	6.5
98.19900	1.8
99.00873	2.2
101.02444	14.8
102.09765	1.2
107.05039	10.4
111.61305	1.1
113.02463	10.3
117.73072	1.1
119.03494	9.0
133.10255	1.4
149.09691	3.2
151.11288	94.7
152.11636	6.7
154.09976	1.5
159.03021	1.2
161.04553	3.4
165.06708	1.3
167.83868	1.6
169.12334	71.1
170.12704	5.8
172.60193	1.2
177.09132	1.4
189.19527	1.5
193.12308	1.4
195.10257	100.0
196.10570	9.0
213.11319	78.7
214.11586	6.8
237.11320	3.3
241.08292	5.1
255.12431	4.1
303.21741	5.7
331.21570	1.5
375.15463	1.6
375.19934	2.5
375.23871	3.9
375.27844	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	375.1308
Annotation	(-)-Riboflavin
Peak:m/z	Relative Intensity
59.01376	44.9
60.07847	0.6
69.51855	4.1
71.01378	8.1
72.99270	0.9
73.02946	0.8
79.10874	0.6
85.02959	1.0
87.00884	0.7
89.02444	8.2
98.19932	1.5
101.02457	4.6
113.02451	3.4
119.03486	3.0
144.08179	1.2
169.07756	1.3
179.05705	0.7
184.08734	3.3
185.07269	0.7
197.05917	1.8
198.06688	4.4
198.08475	0.7
212.08282	23.5
213.08591	2.3
229.04710	0.6
240.06612	3.2
241.07314	12.0
242.07906	0.8
255.08850	100.0
256.09171	7.6
257.10321	0.9
314.28387	0.8
357.15536	2.2
375.12387	3.2
375.17044	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60337	0.8
58.00602	0.6
59.01380	43.7
66.27006	0.6
70.37858	1.4
70.38253	1.6
71.01380	5.9
73.02937	0.8
75.66727	0.8
85.02942	1.6
89.02446	10.0
99.52849	0.6
101.02438	3.9
113.02469	2.7
118.82800	0.6
119.03524	4.0
131.03490	0.6
144.08173	2.0
145.07791	0.9
161.04614	0.9
169.07631	1.0
179.05656	1.0
184.08804	2.1
194.64758	0.7
197.05977	1.4
198.06686	4.0
212.08310	23.0
213.08531	1.3
240.06584	5.0
241.07327	11.4
242.07704	1.2
244.03015	0.7
255.08868	100.0
256.09183	9.0
257.10275	0.7
357.15546	1.1
375.12234	3.3
375.17133	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	375.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33884	1.3
55.01891	1.3
55.61116	1.2
57.03447	2.6
58.00591	1.5
59.01381	49.0
60.01706	1.4
61.98801	1.2
69.03463	2.1
69.58949	5.7
69.59358	3.0
71.01384	35.2
72.99316	3.4
73.02944	5.3
81.03483	1.4
83.01394	2.1
85.02956	9.7
87.00853	1.7
87.04525	1.5
89.02444	19.5
94.04253	1.4
95.01386	2.4
95.05006	6.7
97.06579	5.4
98.03732	7.8
101.02445	14.8
105.16107	1.5
107.05010	10.1
113.02445	12.6
119.03503	5.5
135.08165	2.3
143.03583	1.6
149.09753	3.4
151.11284	94.6
152.11635	6.9
154.10074	1.5
161.04541	4.0
169.12343	67.8
170.12718	4.0
176.58044	1.5
193.12346	3.0
195.10262	100.0
196.10599	7.6
205.07234	1.4
212.35080	1.3
213.11322	72.5
214.11647	5.3
237.11299	4.2
241.08279	7.5
268.08871	1.5
287.65851	1.7
303.21564	6.6
375.23837	2.5
375.27737	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	374.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
63.16561	14.5
66.01819	13.8
67.05370	13.9
71.52261	14.6
71.52636	18.1
78.95891	21.0
95.42227	13.7
135.50473	13.2
155.68510	16.0
277.39825	13.8
374.24164	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	374.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28474	8.5
58.98702	8.6
59.01374	100.0
61.98819	60.3
67.14678	8.2
68.84926	8.5
70.28782	37.9
80.86412	9.1
98.20720	10.9
166.23785	8.2
182.60982	8.5
213.56207	9.0
297.27222	10.0
375.18503	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	374.291
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83471	0.9
59.01380	100.0
60.01704	1.5
69.24290	4.5
69.24715	4.4
82.55506	1.3
95.25962	0.9
152.87561	0.9
161.70268	0.9
170.71272	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12868	1.8
59.01373	4.3
61.47398	2.0
61.98834	14.2
66.03477	2.6
71.01408	1.9
71.53095	2.8
82.02996	11.0
85.02934	3.5
96.04596	2.3
110.02484	51.4
110.03255	2.8
110.52704	2.0
111.02001	20.7
129.01923	9.5
130.02257	2.4
130.08742	75.8
131.09062	4.4
140.03464	4.2
152.03513	9.5
153.03011	4.9
183.65437	2.3
200.05649	21.6
243.06216	100.0
244.06476	6.0
305.72375	2.1
356.09009	2.7
357.06387	2.5
374.09830	2.6
375.14236	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	374.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97443	23.3
59.01374	100.0
66.85828	20.9
73.51801	24.4
78.82583	27.4
80.56213	23.1
83.52769	22.0
84.67760	22.2
98.93066	22.5
115.38306	24.1
152.99640	29.2
293.21219	41.4
315.19507	33.0
360.83105	28.1
373.14438	27.1
374.24603	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	373.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39512	0.5
55.01877	5.6
57.03445	2.8
58.00582	1.6
59.01379	28.5
61.87486	0.5
64.69884	0.6
69.03433	0.9
69.49773	3.9
69.99705	0.6
71.01379	29.1
72.99304	1.7
73.02946	11.1
83.01382	9.0
84.58002	0.6
85.02948	17.2
86.00088	2.0
87.00872	1.6
87.04517	0.9
89.02446	9.5
95.01385	3.3
97.02942	0.8
98.19898	1.1
99.00892	4.1
101.02441	28.4
102.02820	0.6
109.06599	0.6
111.00887	1.0
113.01709	0.9
113.02448	10.6
119.03487	4.3
120.25359	0.6
125.02527	0.6
159.02982	1.2
161.04541	2.4
171.10262	4.1
185.11810	0.7
193.12306	0.7
201.11325	1.2
211.13466	0.7
215.12904	1.2
232.79391	0.5
252.92361	0.6
293.17535	0.8
373.18640	100.0
373.25577	12.8
374.19046	13.0
374.26291	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	373.1867
Annotation	Dictamnoside N
Peak:m/z	Relative Intensity
54.58140	0.4
55.01875	2.1
56.98564	0.5
57.03461	2.6
58.00588	1.2
59.01382	24.8
69.03449	2.7
71.01382	23.0
71.05019	0.9
72.99306	1.2
73.02946	4.9
74.27037	0.4
75.00865	0.5
78.93661	0.5
81.07115	0.5
83.01404	3.3
85.02950	9.9
87.00874	0.5
89.02448	10.9
95.01383	2.3
99.00908	3.1
101.02444	12.9
112.01638	0.5
113.02457	7.4
119.03513	2.8
129.01945	2.7
131.03526	0.5
132.52422	0.4
139.11247	1.3
141.09219	0.6
151.11292	0.6
161.04553	0.7
167.10756	1.9
193.12321	1.4
195.13911	3.6
211.13390	7.4
212.13770	0.5
213.84319	0.4
293.46442	0.5
320.52795	0.4
330.64227	0.5
342.27820	0.5
355.17639	1.3
366.49628	0.5
373.18661	100.0
374.19009	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1867
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
52.95777	0.4
55.01874	3.4
55.19380	0.4
57.03437	1.8
57.77097	0.4
58.00601	1.0
59.01381	26.2
68.18622	0.4
69.19703	2.8
69.20126	1.8
71.01385	21.4
72.99304	1.4
73.02946	8.9
74.47443	0.5
75.00872	0.6
83.01384	5.4
85.02953	11.4
86.00093	1.6
86.03294	0.5
87.00884	1.3
87.01395	0.4
89.02447	6.7
95.01386	1.8
99.00879	2.5
101.02441	20.3
107.83894	0.5
111.00860	1.0
113.02446	6.8
119.03509	2.1
129.01872	0.6
157.03139	0.4
161.04533	1.4
186.55037	0.4
193.12344	1.0
211.13423	1.0
339.50073	0.5
373.18658	100.0
374.14627	0.8
374.19028	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.114
Annotation	Gentioflavoside
Peak:m/z	Relative Intensity
56.64180	1.1
59.01381	23.5
61.98815	3.0
70.71071	2.4
71.01387	13.8
72.99308	1.3
73.14621	1.0
74.02461	1.5
83.01382	1.5
85.02969	2.0
87.05641	1.8
88.04020	3.0
89.02445	13.9
95.01369	1.3
96.00925	1.2
98.02474	1.6
99.08125	1.0
100.03555	1.1
101.02444	9.5
107.01371	1.1
108.02172	11.1
109.01717	1.9
113.02456	5.3
113.03616	1.0
115.08794	2.0
119.03531	6.0
123.00897	4.6
123.04493	6.3
124.01654	4.0
127.05207	2.1
128.03523	3.1
130.08766	3.7
134.03712	1.0
135.04594	1.4
136.01590	1.1
137.02454	17.5
137.06068	1.3
143.11922	1.2
145.06194	2.8
149.02419	1.7
149.06198	1.4
150.03221	10.4
151.04005	5.7
152.04791	57.5
153.05139	2.4
165.05580	2.3
167.03398	1.5
167.07150	13.6
177.01952	4.7
178.02710	49.7
179.03026	2.9
193.05052	100.0
194.05383	5.7
196.03802	10.4
197.12997	1.5
209.78656	1.2
210.07707	1.7
211.06113	65.8
212.06494	3.9
241.11977	4.4
329.18246	2.3
338.13599	2.4
355.16357	1.4
356.14587	2.0
373.07175	1.9
373.08115	1.7
373.11536	8.8
373.21606	1.8
374.11508	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	373.114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	1.4
58.00599	4.6
59.01382	100.0
69.03072	2.4
69.03458	58.1
69.74751	7.8
71.01383	61.3
72.99317	5.3
73.02946	1.5
73.04078	4.2
74.92411	1.3
83.01386	1.8
85.02949	11.3
87.00896	4.0
89.02449	66.3
90.02792	1.7
93.03470	14.9
95.01394	5.4
96.72939	1.3
97.02953	81.5
98.03286	3.6
101.02445	27.4
103.05145	3.3
105.03468	6.7
113.02451	20.7
119.03514	25.8
119.05041	2.0
121.02968	6.7
121.06634	3.7
123.04530	21.0
130.08746	11.5
131.03525	4.2
141.01990	4.1
143.03479	3.7
149.04663	1.8
149.06078	32.5
150.06412	3.0
161.04582	3.9
166.03241	1.6
167.03456	3.1
167.07112	8.0
179.05688	6.5
185.16547	2.0
193.05043	46.7
193.46080	1.3
194.05345	2.5
242.18748	4.9
343.19824	4.9
370.63544	1.4
373.11169	20.2
373.15466	2.9
373.21072	16.0
374.11780	2.5
374.20901	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1139
Annotation	[2aR-(2aalpha,3beta,4alpha,7balpha)]-3-(beta-D-Gucopyranosyloxy)-2a,3,4,4a,5,7b-hexahydro-4a-hydroxy-4-methyl-1H-2,6-dioxacyclopent[cd]inden-1-one
Peak:m/z	Relative Intensity
59.01376	7.0
61.98826	10.0
68.44528	0.9
69.03436	2.2
70.63376	2.9
71.01375	3.9
73.04066	3.3
74.02483	7.0
84.04543	1.7
85.02919	1.2
89.02434	1.9
96.00932	1.1
96.96017	1.9
97.02919	1.3
101.02431	2.5
102.05622	5.4
103.05939	0.9
104.03530	3.5
109.37573	1.2
114.61071	0.9
115.08749	2.6
119.05016	1.4
123.04498	2.6
124.01624	3.9
128.03540	9.7
129.03889	1.6
129.10341	10.8
130.08723	1.0
130.10684	1.3
136.01649	1.6
137.02386	3.7
139.04001	2.5
139.08762	1.3
141.10323	3.6
143.11916	1.2
146.04556	2.6
150.03175	1.9
151.04001	13.5
152.04791	100.0
153.05544	9.3
155.08284	1.1
165.05588	2.2
167.03537	2.9
167.07127	16.8
169.09813	2.4
171.15022	1.4
173.09250	1.8
177.01839	2.2
178.02669	5.4
180.00517	1.4
186.12395	2.5
187.10834	1.9
193.05054	12.9
194.05412	1.0
195.02892	2.5
195.11449	1.0
196.03746	21.1
200.14027	1.3
211.06117	88.0
212.06441	6.3
242.18567	1.3
243.14606	1.0
243.17111	2.1
244.17288	1.0
252.38058	0.8
267.17422	0.9
275.53693	0.9
295.06241	1.0
311.20898	2.7
314.10068	1.9
325.10818	1.1
329.22629	1.3
343.19724	8.1
372.21121	1.2
373.11362	44.1
373.21075	20.2
374.11639	4.9
374.20941	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	372.214
Annotation	Leu Ile Glu
Peak:m/z	Relative Intensity
59.01377	5.8
61.98818	1.8
66.03477	1.6
67.75183	0.8
69.03455	0.9
70.65451	1.8
71.01371	2.7
73.04099	0.8
74.02460	1.9
75.89137	0.7
81.07093	1.2
82.02975	1.1
82.06629	6.1
82.99617	1.0
84.04553	17.4
84.08195	1.4
85.02986	0.9
88.04047	8.4
89.04375	1.3
97.02943	1.0
98.19770	0.9
98.45562	0.9
102.05611	51.5
103.05940	1.0
106.18693	0.7
112.07680	1.7
113.02365	0.8
115.08746	1.3
128.03545	100.0
129.03859	2.3
129.10349	18.3
130.08739	25.8
130.10713	1.5
131.09045	0.8
139.08797	4.5
146.04596	27.1
154.12335	2.1
155.11879	1.2
167.07063	0.8
171.15027	13.5
172.15410	1.1
180.10269	1.0
195.15057	4.8
197.16592	6.8
199.18178	7.2
215.13942	3.1
223.10823	11.8
224.17679	1.2
225.16063	21.3
226.16266	2.0
242.18764	7.4
243.17111	52.8
244.17499	4.3
268.20343	0.9
284.23297	3.3
328.22372	12.4
329.22519	1.4
343.19974	2.0
372.21320	83.1
373.21616	10.2
374.87964	0.9
395.22559	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43092	1.4
59.01366	5.1
61.98836	2.4
63.82454	1.3
66.03467	1.8
70.27557	1.4
71.01373	4.3
71.53546	1.2
71.53930	1.6
74.02470	3.5
82.06635	2.8
84.04549	17.9
88.04031	1.7
89.02456	1.5
91.97127	1.5
94.50681	1.3
102.04928	3.1
102.05608	58.2
106.38000	1.3
124.01717	2.0
128.03543	100.0
129.03893	2.2
129.10352	16.1
130.08746	22.4
139.08774	3.8
139.62457	1.3
146.04594	22.0
148.47583	1.3
152.04802	11.9
167.03552	1.9
167.07086	3.3
171.15009	17.6
193.05060	1.7
195.14977	6.1
196.03783	2.4
197.16560	6.3
199.18214	8.3
211.06058	11.1
215.14059	1.7
223.10838	9.9
225.16096	21.6
226.16425	2.3
242.18701	8.0
243.17102	45.5
244.17340	4.5
284.23422	3.6
311.20746	1.4
328.22385	13.0
329.22687	2.4
343.20071	3.0
372.21384	92.1
373.11359	4.2
373.21500	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	372.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86546	13.3
59.01369	12.6
59.99453	11.6
61.63097	11.8
61.98834	100.0
69.46566	70.0
69.46992	27.5
172.55927	12.2
210.04469	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	372.2138
Annotation	Glu Ile Ile
Peak:m/z	Relative Intensity
59.01382	6.4
61.98827	3.3
65.70638	1.1
70.98217	2.4
71.01382	3.1
74.02483	1.1
82.02982	4.2
84.04547	1.3
85.02940	1.1
88.04041	2.1
89.35780	0.9
95.03783	1.3
96.00903	1.0
99.00900	1.8
100.04055	5.5
101.02441	1.0
101.07211	7.6
109.01716	1.2
109.04070	1.9
111.05630	1.3
122.51218	0.9
123.03272	2.2
125.03634	1.2
127.05118	8.6
128.03548	5.0
129.10341	2.0
130.08739	100.0
131.09065	2.4
136.11324	3.6
140.07181	11.8
145.06180	12.2
146.04642	1.9
146.06624	1.3
152.10773	1.7
163.04033	1.1
167.11894	1.3
169.09816	1.9
169.13481	1.7
179.11916	3.6
180.10294	44.9
181.10732	2.1
197.12950	10.1
199.18164	15.5
209.16634	3.0
222.12477	1.5
223.10887	7.4
224.09215	6.4
239.07144	2.5
241.11882	8.6
243.17116	9.1
249.19640	1.3
256.20370	1.9
266.05905	1.6
267.06647	4.5
284.23361	2.5
285.15289	4.5
295.06100	18.4
298.26428	1.1
310.08447	9.1
310.21295	6.3
325.10809	13.8
354.20364	24.6
355.20651	3.1
372.21457	92.9
373.13123	3.0
373.21936	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	372.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75264	37.3
59.01374	100.0
71.54082	41.2
78.05645	34.3
86.02200	33.8
90.45244	33.7
92.26328	36.5
113.29687	37.2
257.45648	38.6
281.48489	38.5
372.28223	63.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96275	32.3
59.01381	53.5
61.98822	100.0
71.53780	52.1
75.00893	44.0
86.60532	29.7
93.81879	31.0
107.53096	31.0
111.96114	33.2
143.37407	35.7
149.06779	31.9
163.01907	28.5
175.15036	31.9
239.08472	38.9
372.28165	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2073
Annotation	Byzantionoside B
Peak:m/z	Relative Intensity
55.01876	8.4
57.03157	0.5
57.03447	8.7
58.00589	3.6
59.01379	63.7
60.01705	0.7
61.98833	0.3
67.01884	0.4
68.99828	0.5
69.03443	1.2
69.55434	1.1
69.55860	1.2
71.01380	100.0
72.01701	2.0
72.43607	0.3
72.99306	3.9
73.02945	31.6
74.03272	0.7
75.00856	1.6
81.03448	0.6
83.01385	16.0
84.01718	0.5
84.02171	1.1
85.02950	46.2
86.00087	1.0
86.03297	1.0
87.00876	4.8
89.02442	28.8
90.02780	0.7
95.01386	7.9
97.02386	0.5
97.02945	2.9
98.19895	0.6
99.00881	13.5
101.02441	77.6
102.02785	2.1
111.00901	2.0
111.01575	0.3
113.02448	42.9
114.02788	1.2
119.03498	9.1
123.08174	1.0
125.02453	1.9
129.01920	1.7
131.03520	1.2
137.09712	1.3
143.03497	5.2
149.04504	0.7
149.09692	0.6
159.02982	11.0
161.04550	44.6
162.04874	1.9
165.12871	0.4
167.58170	0.3
179.05634	1.3
195.51306	0.4
205.03477	0.9
209.15448	10.7
210.15695	0.9
254.90765	0.4
350.69901	0.4
365.39758	0.3
371.20706	32.4
372.21069	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	371.2186
Annotation	TMC-96
Peak:m/z	Relative Intensity
53.82724	0.5
55.84058	0.5
58.02994	0.7
59.01389	2.7
68.54413	0.5
69.03455	0.6
71.01369	1.5
71.54349	0.5
78.95901	0.9
81.03452	12.7
81.03928	0.7
83.05025	51.9
84.05350	1.7
85.02940	0.7
87.05624	1.2
88.04023	0.8
89.02434	0.8
100.07685	14.1
101.08018	0.6
109.04066	0.5
120.01249	1.8
120.45396	0.5
126.05594	1.4
127.05135	1.0
128.03534	1.6
130.08745	6.6
133.06952	0.5
145.06145	0.6
180.10315	0.8
181.12276	0.9
182.15442	1.3
199.18166	10.5
200.18452	1.4
207.10258	1.8
207.14986	0.7
225.11285	1.2
225.16055	11.3
226.14381	0.8
226.16383	1.1
243.17122	31.4
244.17511	3.0
265.22656	0.6
269.15009	2.4
309.22006	1.5
335.19861	0.6
353.20779	8.3
354.20764	1.1
371.21884	100.0
372.15222	0.6
372.17728	0.8
372.22125	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	371.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	6.4
57.03445	7.4
58.00591	3.8
59.01380	67.5
60.01697	1.2
61.98840	6.2
65.68365	0.7
68.99843	1.0
69.03433	1.0
69.38824	4.5
69.39235	1.8
71.01382	100.0
72.01733	2.0
72.99319	5.8
73.02948	28.2
74.03284	1.1
75.00874	1.9
83.01391	11.5
84.02197	1.0
85.02952	41.8
86.03284	0.9
87.00878	5.0
89.02449	42.6
95.01397	7.8
96.00941	1.9
97.02940	1.8
99.00890	11.6
99.92571	4.4
100.93356	1.0
101.02444	78.7
102.02787	2.1
111.00870	1.7
113.02449	41.7
114.02771	1.7
115.04052	1.4
115.92094	5.6
116.92871	9.0
117.92850	0.9
119.03493	14.6
125.02463	2.1
129.01924	2.7
130.08739	1.3
131.03482	1.5
137.09714	1.8
139.51509	0.7
142.52863	0.7
143.03510	5.9
149.09700	0.9
159.03000	7.9
161.04572	38.9
162.04819	1.2
165.12773	1.0
205.03503	1.1
209.15485	7.8
210.96989	1.4
295.73187	0.8
366.12836	1.2
371.07993	2.3
371.20688	28.8
372.21021	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	371.1344
Annotation	Macrosphelide J
Peak:m/z	Relative Intensity
53.98080	0.9
57.03442	2.7
58.00583	3.2
59.01377	100.0
61.98815	1.6
69.38179	2.3
69.38593	6.2
71.01376	42.0
72.99297	3.1
73.02974	2.2
73.04059	1.2
76.05963	1.0
82.02983	2.0
82.06616	1.2
83.01373	1.9
85.02952	7.9
87.00871	1.2
87.05651	1.5
89.02440	48.7
90.02763	1.2
91.05562	1.0
95.01396	3.4
99.00847	1.4
101.02445	26.4
101.07234	1.6
112.04031	1.6
113.02441	19.3
119.03497	26.9
127.05141	3.4
128.03514	2.8
130.08736	29.3
136.11330	1.5
140.07195	1.5
143.03455	2.4
145.06190	2.8
147.08119	1.1
149.04544	1.5
169.09845	1.4
179.05617	2.2
179.11798	1.4
180.10301	12.6
191.07172	1.4
197.12964	4.5
199.18196	5.2
223.10945	5.1
241.11916	4.2
243.17102	2.2
308.77191	1.2
312.91531	1.0
354.20300	10.4
371.13449	70.2
371.17679	3.4
371.22214	5.6
372.14032	9.1
372.21344	20.4
391.20923	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	371.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32083	1.1
57.03435	3.3
59.01379	23.5
61.98825	2.0
67.01888	2.0
68.99815	2.6
69.03460	2.1
69.37299	10.9
71.01386	23.0
72.99297	3.8
73.02942	2.8
75.00877	18.5
77.89114	1.1
81.03455	1.6
83.05022	4.8
85.02953	18.5
87.00884	7.6
88.04074	1.7
89.02442	5.6
93.03458	2.0
95.01374	4.7
99.00877	10.4
99.04539	1.6
101.02442	1.2
103.00386	2.9
111.00905	1.3
113.02457	24.3
114.05612	6.1
115.00402	1.8
117.01881	2.4
120.01205	1.4
120.98883	1.2
121.02960	100.0
122.03288	3.4
127.05132	3.2
129.01912	1.6
130.08760	14.9
157.84464	1.3
170.86311	1.3
175.02438	2.3
180.10265	3.0
188.68573	1.2
191.10796	1.7
199.18121	4.9
231.05040	6.7
242.39392	1.2
249.06152	69.9
250.06516	4.6
353.08664	2.0
370.23535	2.3
371.09845	47.9
371.18402	2.8
371.23410	20.9
372.10150	5.7
372.21420	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	371.077
Annotation	7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
58.02959	0.4
59.01372	1.1
62.97103	0.3
70.70869	0.5
70.71189	0.5
71.01369	0.5
98.20649	0.4
101.02444	0.3
115.92110	0.3
121.02957	100.0
122.03299	4.6
128.29648	0.3
135.04474	0.4
149.02397	0.6
159.94312	0.3
179.03502	10.0
180.03836	0.6
237.94931	0.4
239.07082	0.4
371.07684	10.2
372.07941	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	371.0982
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
54.39236	0.8
57.03435	3.0
58.00575	1.1
59.01114	1.4
59.01381	20.2
67.01894	1.2
67.08845	0.7
68.99786	1.0
70.89107	2.0
71.01382	16.6
72.99310	6.2
73.02935	2.1
74.02500	1.2
75.00464	1.6
75.00874	18.8
81.82587	0.9
83.01396	1.3
85.02461	1.5
85.02953	22.2
87.00878	7.5
89.02437	5.5
93.03482	1.2
95.01393	7.2
99.00886	11.1
101.02425	1.6
103.00359	3.5
111.00887	1.0
113.02454	31.2
115.00357	2.8
117.01945	3.6
121.02958	100.0
122.03331	5.0
129.01938	1.9
130.08690	1.1
163.62463	0.8
172.09848	1.0
175.02492	4.3
193.03505	2.5
231.05104	3.9
249.06155	28.1
250.06483	1.7
327.27740	0.9
353.08694	1.2
365.98077	1.0
371.09799	63.3
372.10126	6.7
373.56900	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53589	1.1
59.01379	10.7
61.98829	100.0
68.38287	1.1
69.40543	7.8
71.01389	3.7
73.04068	1.1
74.02475	1.5
76.87794	1.1
83.05041	1.6
83.78263	0.9
86.22182	1.2
87.05688	1.5
88.04054	1.7
89.02435	3.0
101.02393	2.0
113.02483	1.3
119.27309	1.0
127.05136	2.1
129.10341	1.5
130.08749	20.0
135.04533	1.5
143.11887	2.5
145.08685	3.4
162.32448	1.1
191.05627	1.8
194.10509	0.9
196.14514	2.3
199.18155	5.6
240.13649	1.1
249.64960	1.0
256.20178	2.2
283.13766	1.3
285.39297	1.1
307.14014	15.3
371.18634	1.5
371.22934	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	18.2
61.98832	97.6
71.01385	12.3
71.53878	3.5
72.99309	100.0
73.02960	3.4
85.02974	4.8
86.96705	3.0
89.02442	9.4
96.00896	3.5
96.26442	3.4
101.02425	8.1
102.05582	3.4
109.04081	4.3
113.02476	5.6
114.05621	3.3
114.88345	3.3
119.03512	4.2
127.05148	5.0
128.03539	9.7
129.10370	3.9
131.03735	4.4
142.06636	12.8
144.04553	7.7
145.06227	5.4
146.04636	3.6
146.06113	11.8
147.04498	3.3
157.39496	3.4
158.06117	28.0
170.06110	5.8
184.04004	4.7
185.04770	5.7
186.05513	3.2
188.07190	17.7
191.03519	14.0
202.05081	14.2
209.04596	23.0
214.05075	5.3
228.20464	2.9
232.06281	5.5
241.11856	3.7
250.07152	8.3
262.07114	12.0
268.28146	3.6
328.33630	3.4
370.11707	7.6
371.18918	4.5
371.23044	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	369.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89132	0.4
63.98683	0.4
71.53245	0.8
78.95902	100.0
80.05048	0.4
84.97607	0.3
93.99003	0.4
95.96169	0.6
96.96958	32.4
189.25127	0.4
211.25951	0.4
284.20624	0.4
369.17377	0.8
369.21930	11.3
369.26346	0.8
370.22339	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62733	3.6
59.01373	8.4
61.98825	16.2
64.08926	3.6
69.03438	8.9
69.40166	6.5
69.40579	24.8
70.02987	10.5
71.01381	35.8
72.99324	9.3
73.02946	9.5
75.00851	3.8
79.65687	4.3
81.02200	6.3
81.03436	5.1
81.27663	3.4
82.02976	25.6
85.02946	17.3
92.25594	4.1
93.03471	6.7
94.02975	6.5
95.05025	4.6
96.96030	3.9
97.58566	4.1
98.19794	5.9
108.00935	69.7
109.01722	5.7
110.02495	4.9
120.04572	5.2
121.02946	8.9
123.04508	11.2
126.01971	44.0
127.05189	10.1
128.03587	4.8
129.10359	7.6
132.04578	6.4
136.00409	9.5
139.02768	11.6
139.03963	9.2
140.03519	32.3
145.06261	4.8
146.06128	5.9
154.01479	4.7
157.05066	19.9
165.05563	7.4
167.02182	4.0
168.03024	100.0
169.03268	6.9
179.99365	18.1
185.00912	6.5
186.05547	9.9
191.05624	6.9
196.14577	5.2
200.83054	4.1
204.06664	5.2
225.16071	6.5
228.83421	4.8
266.06708	39.0
294.06299	5.8
326.08685	14.4
370.07715	44.4
371.09357	7.8
371.17383	5.7
371.23019	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	368.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88096	0.5
59.01363	0.6
61.98787	0.7
70.15100	2.1
71.01389	1.0
113.02413	0.6
115.02556	0.7
117.00412	1.3
119.01347	0.6
130.08737	100.0
131.01999	4.0
131.09068	3.4
133.63979	0.5
146.18999	0.5
156.99844	0.7
161.74333	0.5
162.66656	0.5
171.01523	0.6
177.07997	0.6
227.00443	1.0
231.02257	0.6
257.03702	1.9
272.17218	0.5
273.03241	1.5
341.01926	1.2
369.01593	1.7
369.10513	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	369.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.0
57.03436	2.6
59.01378	27.3
61.98827	8.9
69.03444	1.6
71.01382	49.1
71.53117	1.2
72.99315	1.7
73.02951	17.6
75.00874	1.7
78.95908	1.0
83.01385	8.2
85.02951	26.1
86.03289	1.2
87.00858	2.4
89.02451	11.2
90.73457	0.9
95.01367	2.5
97.02944	2.1
99.00858	5.6
101.02444	49.2
102.02760	1.1
111.00884	1.7
113.02448	18.5
114.02809	1.0
114.05581	1.6
117.00343	0.8
119.03535	1.3
125.02450	2.0
126.98843	3.6
129.01936	1.5
131.01965	2.5
131.03479	2.3
134.04779	1.4
143.03502	3.3
149.04538	2.6
156.99930	1.8
159.02991	4.5
161.04549	34.5
169.07733	1.5
172.99374	0.9
185.03065	1.7
205.03519	1.4
205.96222	1.1
210.02399	1.0
210.95007	1.9
211.00868	1.7
237.09784	100.0
238.10112	5.8
254.97772	0.8
264.96017	1.0
278.97562	1.1
280.99863	1.5
296.05057	0.9
296.96237	0.9
306.97778	2.7
369.01666	1.2
369.13971	12.1
370.14182	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	367.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
79.58983	0.8
124.10860	0.8
133.06609	1.8
149.09715	86.2
150.10085	4.9
189.12735	0.9
205.15956	86.4
206.16324	8.6
285.20624	1.3
321.71167	0.8
367.26404	100.0
368.22852	0.7
368.26721	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	367.264
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
53.99633	0.5
61.98842	0.5
77.17630	0.4
77.48463	0.4
88.03011	0.4
89.15565	0.4
98.20744	1.0
133.06595	8.8
134.06917	0.7
149.09721	82.6
150.10062	5.3
161.04404	0.5
194.09470	0.9
205.15976	48.6
206.16371	4.5
295.16919	3.4
296.17517	0.6
299.45218	0.6
312.49817	0.5
328.16888	2.4
367.26416	100.0
368.26773	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	368.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	4.6
59.01378	85.6
61.98830	22.7
67.68285	1.9
71.01012	3.1
71.01383	59.1
71.51653	2.5
72.99287	6.0
78.70999	1.9
83.01394	1.9
85.02948	8.2
87.00864	5.5
88.04003	2.2
89.02447	88.0
93.03455	2.6
95.01376	2.2
101.02447	26.2
113.02451	32.6
114.02774	5.9
116.05050	15.9
119.03550	32.8
119.05022	100.0
120.05357	4.9
121.80292	2.1
131.03471	3.7
142.06621	56.3
143.03516	2.2
143.06946	4.7
144.04659	2.0
145.05055	6.8
146.06183	3.5
149.04593	2.8
158.06091	1.9
161.04489	5.1
163.00374	5.8
170.06097	37.2
171.06447	2.6
178.97276	2.0
179.05597	7.3
188.07166	3.5
190.99864	3.1
191.05608	6.3
192.00648	2.4
192.05954	4.2
207.02916	3.0
368.13504	11.7
369.12646	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
69.76712	7.4
71.01383	18.0
73.02953	6.5
78.48032	1.4
81.85365	1.3
83.01420	2.2
85.02977	7.0
89.02430	3.3
96.95999	3.9
98.19897	2.2
99.00880	1.9
101.02441	14.4
102.60373	1.1
113.02447	8.0
114.09200	1.1
119.03513	1.8
131.08240	2.1
143.03447	1.6
159.03024	2.9
161.04549	17.6
187.00749	1.7
188.27354	1.5
216.39543	1.4
307.17627	21.4
308.18033	2.0
358.01642	1.4
367.08646	3.8
367.17712	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	367.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.5
57.03441	2.2
58.00597	0.9
59.01377	23.9
61.98813	0.4
64.32633	0.4
67.01884	0.4
69.03452	0.6
70.63977	0.3
70.64301	1.1
71.01380	32.7
71.05017	0.7
72.99296	1.4
73.02943	14.1
73.06575	0.5
75.00872	0.8
83.01385	9.1
84.62515	0.3
85.02948	16.9
86.00118	0.6
86.03288	0.5
87.00866	2.2
89.02443	4.7
93.03468	1.6
95.01402	2.2
97.02955	1.3
98.19902	0.5
99.00884	6.4
101.02443	40.5
102.02778	1.0
111.00867	1.0
111.04530	0.4
113.02454	15.2
114.02835	0.4
119.03476	0.4
120.87734	0.4
125.02435	1.4
128.29010	0.3
129.01968	0.7
131.03493	1.0
134.03711	1.0
141.01942	0.3
143.03496	1.9
143.07112	0.5
149.04562	0.4
155.24055	0.4
159.02979	3.3
161.04553	16.0
162.04807	0.7
167.03427	0.5
173.04498	1.9
190.65921	0.3
191.05606	5.9
193.05057	0.5
235.11859	100.0
236.12181	6.9
279.10843	0.7
367.11273	0.7
367.16043	7.9
368.16537	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28171	0.9
53.11649	0.7
55.01880	5.0
57.03434	4.0
58.00598	1.1
59.01378	39.6
61.98836	4.9
67.01871	2.5
68.99802	0.8
69.03463	1.6
69.33233	1.7
69.33631	5.4
71.01382	63.1
72.01718	0.8
72.99294	3.5
73.02946	28.7
73.23382	0.9
75.00859	1.0
83.01392	11.4
85.02951	30.8
87.00866	5.2
89.02449	15.8
93.03452	9.0
94.00031	0.8
95.01394	3.6
97.02953	1.8
99.00884	12.0
101.02446	56.0
102.02739	1.2
108.04428	0.7
111.00878	2.1
111.04528	2.3
113.02449	22.1
114.05667	1.1
115.03977	1.4
117.03590	0.8
119.03496	2.1
119.05005	1.0
125.02448	3.4
127.04025	0.8
129.01988	0.9
130.63527	0.8
131.03490	7.8
134.03754	4.7
143.03456	2.6
145.08656	0.9
149.04533	3.1
159.02956	4.5
161.04558	25.2
173.04506	4.7
173.08037	0.7
179.05598	0.8
187.05966	1.2
191.05612	27.3
193.05022	3.4
207.89046	0.9
233.06755	1.6
235.11862	100.0
236.12222	6.0
367.16049	62.8
368.16464	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	367.161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46301	0.6
51.76593	0.6
55.01871	4.1
56.79210	0.6
57.03445	3.9
57.05611	0.7
58.00594	1.9
59.01381	28.0
61.98827	1.2
67.01905	0.7
69.03468	1.5
69.64194	4.1
71.01383	40.0
71.05009	1.0
71.61754	0.6
72.01734	1.2
72.99312	2.0
73.02948	25.9
73.06586	0.7
75.00863	1.1
77.65622	0.6
83.01392	9.3
83.76149	0.6
85.02955	23.0
85.03470	1.4
85.40554	0.6
86.00074	1.4
87.00866	3.3
89.02451	8.5
92.90771	0.6
93.03459	3.4
95.01380	3.4
97.02938	1.9
98.19946	1.4
99.00893	8.9
101.02446	51.4
102.02784	1.5
111.00900	1.4
113.02452	14.5
115.04039	0.9
125.02457	2.7
129.01958	1.5
131.03502	2.6
131.05682	0.7
134.03740	3.1
143.03508	1.7
143.07213	0.7
149.04582	0.8
156.82094	0.8
159.02998	3.9
161.04567	17.8
162.04811	0.7
163.03989	0.8
167.03603	1.0
173.04558	4.1
191.05632	9.9
193.05055	2.5
233.06659	1.6
235.11864	100.0
236.12210	7.1
367.16064	50.0
368.16449	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	367.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
59.25824	1.5
60.01717	2.3
61.98824	8.6
67.01883	1.7
69.03457	8.8
69.98885	1.4
71.01378	6.9
80.28590	1.4
85.02977	7.6
87.00853	2.4
89.02427	6.8
93.03449	5.9
98.19762	2.8
99.00894	1.7
99.19146	1.7
101.02443	7.8
102.73152	1.8
113.02456	74.2
114.02800	2.1
125.02396	1.6
127.03993	4.0
131.03496	1.7
134.03708	3.6
141.53590	1.7
145.05070	64.4
146.05344	1.9
161.04552	1.8
173.04512	3.5
185.04541	2.2
191.05609	22.6
193.05026	2.4
211.91624	1.7
232.86786	1.8
235.11867	3.5
307.10510	1.8
356.47079	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	367.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67214	0.3
59.01381	4.2
60.07360	0.3
61.98818	1.0
67.01888	1.0
69.03429	0.4
71.01378	1.3
73.02947	0.8
81.03453	0.8
83.05009	0.4
85.02950	7.9
87.00883	2.5
89.03988	0.3
93.03457	6.9
96.96011	1.1
98.20692	0.6
99.00874	0.4
101.02439	0.7
102.24827	0.3
109.02940	0.9
111.04527	1.5
117.03494	2.4
119.04998	0.5
127.04014	1.8
134.03755	2.7
145.02948	10.1
146.03297	0.5
160.01678	0.5
163.04057	0.7
171.03082	0.5
173.04541	3.0
178.77876	0.3
187.03922	0.5
191.05609	100.0
192.05948	4.9
193.05031	1.3
288.54276	0.4
307.12033	0.8
367.10413	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	367.1032
Annotation	3-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
55.41227	0.5
57.03437	1.0
59.01385	3.6
60.99292	1.9
67.01891	5.4
69.03443	1.0
70.00559	0.6
70.57257	0.7
71.01373	2.5
81.03458	1.2
83.05007	1.6
84.71321	0.7
85.02953	5.3
87.00874	8.7
89.03963	0.7
92.13692	0.7
93.03456	39.4
94.03789	1.5
95.01338	0.6
99.04520	0.8
101.02461	0.7
109.02992	0.9
111.04523	5.6
112.62277	0.6
113.02425	0.7
116.05082	1.1
117.03436	1.9
117.05413	1.0
127.04006	2.0
129.01961	0.9
134.03743	18.7
135.04063	0.9
137.02420	1.7
149.06094	1.4
155.03468	2.7
173.04547	33.8
174.04877	1.3
178.02771	1.0
186.05632	1.2
187.05919	3.6
191.05606	100.0
192.04243	0.8
192.05902	5.2
193.05057	10.6
367.10019	3.8
367.17953	0.7
368.10919	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2696
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
53.78297	0.6
59.01384	0.9
60.36213	0.6
69.94411	1.4
69.94808	1.2
71.17482	0.5
78.55293	0.7
81.31337	0.5
85.06595	2.2
94.82742	0.5
114.49033	0.6
198.07033	0.6
199.13356	1.5
261.18512	0.6
279.19650	16.4
280.20050	1.7
347.26010	6.0
365.26947	100.0
366.27319	15.6
368.75949	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2693
Annotation	Officinoic acid B
Peak:m/z	Relative Intensity
59.01380	1.0
69.94043	2.5
71.05021	0.8
82.08906	0.5
83.05007	0.4
87.00881	0.6
93.03608	0.4
153.12804	0.8
153.99310	0.5
155.14403	1.3
155.29361	0.5
159.48326	0.4
163.11331	1.0
165.12828	2.5
181.12325	1.7
191.93134	0.4
199.13394	31.4
200.13750	2.3
277.21738	1.3
299.53146	0.5
333.87631	0.4
347.25937	4.5
348.26282	0.6
363.25473	0.5
365.26932	100.0
366.27310	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	365.2697
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
59.01380	1.9
70.39626	2.6
70.39980	1.2
84.29753	0.8
84.95317	0.9
247.17026	1.1
283.26428	2.6
296.87344	0.9
303.81656	1.1
333.24448	5.0
334.24402	1.2
365.26962	100.0
366.27222	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	365.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23125	1.3
56.49416	1.3
59.01367	5.1
67.13648	1.2
68.94689	1.2
70.11851	4.7
72.38766	1.3
79.64787	1.2
83.74326	1.2
87.00903	1.6
97.14001	1.4
98.19988	1.6
105.01947	5.0
146.36223	1.4
165.51486	1.4
277.21725	100.0
278.22006	10.8
347.25909	2.1
365.27213	7.9
380.14401	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02784	17.2
56.61639	16.0
59.01361	58.5
61.98810	19.6
75.33498	21.3
82.92819	20.5
98.19951	59.3
106.89501	20.9
122.03804	19.2
135.21664	18.5
176.43481	18.9
178.39337	21.7
214.73195	24.0
229.02704	20.0
251.33310	24.6
283.26462	100.0
344.29074	19.5
365.26889	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	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
57.03440	0.9
58.00576	0.6
59.01381	12.8
69.66483	2.7
71.01006	0.8
71.01382	11.7
72.99315	0.9
73.02946	4.4
73.98403	0.5
77.40091	0.4
83.01385	2.3
84.75819	0.4
85.02946	5.7
86.00082	0.9
87.00888	0.9
89.02431	2.8
90.25772	0.4
95.01373	1.0
97.06610	0.4
98.19992	0.8
99.00879	1.5
101.02442	10.0
103.77335	0.4
106.02419	0.4
111.00946	0.5
113.02445	4.6
119.03497	0.5
139.11295	1.7
155.10857	0.4
157.12341	3.5
161.04599	0.7
185.11823	2.0
203.12886	6.7
324.83038	0.5
329.08664	0.4
347.17145	0.7
365.18130	100.0
366.18481	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	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01711	1.1
67.16783	0.9
71.01378	12.2
73.02943	3.3
83.01395	1.8
85.02953	4.8
86.47433	1.1
87.00961	1.3
89.02453	4.1
94.45705	1.1
99.00909	1.5
101.02440	10.3
113.02428	5.5
119.03572	1.4
130.08734	1.8
135.05405	0.9
143.10744	1.6
161.04558	9.1
166.96207	1.3
229.08559	1.3
305.15973	5.9
365.14133	1.1
365.18823	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54011	0.6
53.75324	0.6
55.01879	2.0
56.78227	0.6
57.03453	1.2
59.01381	91.0
60.01722	0.7
71.01385	14.7
71.22694	1.4
73.02945	6.9
76.52911	0.6
77.41677	0.7
79.12928	0.7
82.33810	0.8
83.01382	4.3
85.02950	9.8
86.00122	1.4
86.07255	0.6
87.00875	0.9
89.02444	2.8
95.01388	2.3
99.00879	3.0
101.02438	15.3
107.50729	0.7
111.00835	0.8
113.02464	6.8
115.07659	1.9
116.05068	7.9
133.95914	0.7
158.06145	1.8
159.02989	0.8
161.04578	3.9
186.05605	12.4
305.16049	5.8
347.17108	7.2
347.66080	0.7
365.18149	100.0
366.11868	2.1
366.14478	0.7
366.18610	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	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17654	0.4
55.01869	1.3
57.03442	1.1
57.84960	0.4
59.01382	12.1
60.01714	0.4
69.60861	2.6
71.01008	0.7
71.01385	10.2
72.99288	0.4
73.02933	3.5
80.73415	0.5
83.01389	2.5
85.02945	4.8
87.00882	0.7
89.02453	3.0
95.01409	0.8
99.00861	1.4
101.02447	9.1
113.02432	3.6
119.03487	0.5
139.11301	0.7
157.12332	3.1
159.02963	0.5
161.04503	0.5
185.11803	1.5
199.78682	0.5
203.12888	7.1
245.13908	0.8
246.39577	0.6
347.17068	1.5
365.18140	100.0
366.18497	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	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74583	0.8
55.01864	2.2
57.03441	1.9
59.01379	69.3
60.01700	0.9
60.56432	0.7
61.98814	1.5
64.47993	0.8
67.01881	0.8
69.48681	5.7
71.01381	19.6
72.99316	1.7
73.02956	8.3
82.99606	2.9
83.01382	5.2
85.02944	12.8
86.00101	1.1
87.00869	2.6
89.02434	4.4
95.01374	1.9
96.52206	0.9
99.00892	2.7
100.34238	0.8
101.02440	19.1
109.09347	0.8
111.00907	1.0
113.02452	6.2
114.50980	0.9
117.03455	2.0
119.03500	1.5
125.00675	6.0
125.06078	2.2
130.08699	0.8
139.52269	0.8
143.03534	1.0
151.02277	6.2
157.12311	1.0
159.03021	1.1
161.04564	5.1
167.12379	0.8
185.11845	2.9
195.01219	1.1
203.12891	6.6
205.08780	1.0
227.92467	1.0
239.08647	1.8
251.07387	1.0
265.10068	5.2
268.20493	0.8
281.12885	1.0
305.16098	3.0
347.13242	1.2
347.17163	14.2
348.17517	1.7
365.18158	100.0
366.18640	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	365.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
57.03446	3.2
57.49457	0.7
58.00585	1.0
58.39883	0.7
59.01381	47.8
60.01716	0.7
67.01907	1.2
71.01381	24.9
71.54224	0.9
72.99326	5.5
73.02950	3.0
75.00875	19.5
83.01388	1.3
84.68700	0.7
85.02950	22.3
87.00871	8.1
89.02444	9.1
95.01382	6.0
96.95974	0.8
99.00878	10.8
101.02449	3.4
103.00362	3.2
111.00849	0.9
113.02446	30.9
114.02814	1.2
115.00386	2.2
115.07648	100.0
115.72842	0.8
116.08002	3.1
117.01941	3.3
119.03496	2.0
121.03039	0.8
124.97323	0.9
129.01942	1.6
139.00360	0.8
143.03497	0.8
148.74158	0.8
157.01501	1.1
161.04539	2.4
165.07507	0.9
175.02469	3.0
187.12778	1.2
205.07208	2.5
220.48746	0.7
223.08267	1.1
249.06160	7.4
267.07132	6.5
287.13431	1.1
305.12561	1.0
305.16068	2.3
347.13531	3.2
365.14508	75.7
365.18533	4.1
366.14832	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	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45872	0.6
59.01382	100.0
60.01722	1.2
70.95020	1.5
70.95354	0.8
71.01381	0.8
72.99321	0.9
85.02979	2.0
93.97987	0.7
128.54221	0.6
195.59096	0.7
249.15045	0.8
328.21957	0.8
365.20200	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	365.137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05052	7.1
51.34621	6.2
57.00089	6.2
59.01379	100.0
71.01367	28.8
71.54349	7.2
73.02944	6.6
85.02947	8.8
89.02446	27.4
97.41957	5.8
101.02494	10.6
113.02493	15.5
115.07643	20.4
119.03509	8.5
120.99635	7.2
124.13838	6.6
159.04491	13.1
161.04463	9.8
164.07196	11.4
165.07465	10.0
186.12511	9.3
203.03535	12.7
272.14761	6.5
277.90143	7.7
307.62024	6.6
365.14352	18.0
365.18918	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08343	3.5
59.01379	100.0
61.98825	18.0
64.83379	3.6
68.99820	11.7
69.41838	30.5
71.01392	22.7
71.05014	4.7
73.02956	3.4
77.04500	3.5
77.57124	3.5
81.03473	5.2
85.02953	14.6
89.02458	16.1
93.04596	5.6
96.96023	7.6
99.92587	14.7
101.02452	16.0
113.02412	18.1
115.92087	6.0
116.05006	4.1
116.07156	6.0
117.54444	3.9
119.03516	8.7
120.99672	8.3
130.08754	6.1
132.90587	4.9
143.03522	30.4
143.07143	9.6
153.01944	5.4
161.04553	6.7
165.01920	9.6
167.03540	19.2
186.05638	9.4
200.03810	4.1
200.97078	3.8
203.03313	4.5
221.93829	7.8
226.70523	4.4
242.17586	4.2
259.94522	5.3
366.21429	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	365.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86405	1.1
59.01381	58.1
61.98841	2.3
69.61418	8.9
71.01389	16.8
72.53286	1.3
73.02959	8.4
82.68800	1.2
83.01396	3.5
85.02973	3.4
89.02469	1.7
95.01398	1.4
97.02964	1.7
101.02454	9.1
113.02422	3.4
115.07626	4.0
120.15617	1.1
136.99100	1.4
142.63837	1.2
145.07698	9.1
157.12291	2.1
159.09293	2.2
160.06427	33.6
161.07205	62.0
162.07553	4.4
171.09259	2.4
173.07205	1.5
173.10844	3.2
175.08765	37.8
176.09131	2.7
185.10789	2.7
186.07866	1.5
187.08781	10.4
189.06694	75.5
190.07065	5.0
201.10381	11.6
202.02666	2.5
203.08269	28.8
203.11711	15.9
204.08614	2.5
204.12025	1.3
215.08128	1.5
229.09813	31.4
230.10135	3.8
277.11838	5.9
279.60971	1.2
287.10437	1.4
289.10922	2.3
305.11426	100.0
306.11765	12.2
323.12512	3.1
348.70776	1.5
365.13879	3.8
365.18094	27.3
366.18390	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	364.1879
Annotation	Ser Ile Phe
Peak:m/z	Relative Intensity
54.79132	0.7
59.01376	9.7
61.98840	0.9
70.88292	1.5
71.01383	2.9
71.02505	1.7
72.00917	4.6
73.02964	0.8
73.04066	13.4
79.71714	0.8
80.63076	0.7
82.06608	1.6
83.02512	1.6
85.02959	1.7
89.02460	1.2
91.05541	6.3
101.02442	2.8
103.05109	1.1
112.07639	1.1
113.02448	1.3
115.07640	2.2
118.06647	0.9
128.90785	0.8
129.10333	21.2
130.08733	3.8
139.08786	2.7
140.07182	6.5
141.09372	0.9
141.10349	3.0
143.11894	1.0
147.04527	22.9
148.04878	1.4
161.04497	1.7
164.07162	60.4
165.07475	4.2
168.11440	6.7
169.09872	4.7
181.09805	1.5
186.12471	55.9
187.12773	2.6
198.12465	1.7
199.10852	9.5
200.11125	1.3
216.13947	1.6
233.16565	13.0
234.00835	0.8
234.16855	1.5
277.15390	1.8
290.18774	10.3
291.18991	1.5
305.11374	1.7
305.15994	1.3
334.17593	12.5
335.18240	1.3
346.17783	2.0
364.18765	100.0
365.14566	1.3
365.18918	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	363.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.5
58.50531	0.8
59.01381	100.0
59.77963	0.7
60.01720	1.5
61.98833	1.0
63.17855	0.8
64.72711	0.7
69.44386	6.5
71.01362	1.8
85.02929	1.9
89.02419	0.9
101.02435	1.3
107.03024	0.7
111.08140	1.0
113.02438	3.5
127.07601	0.8
139.11299	37.2
140.11649	1.8
183.10272	15.4
192.01163	1.0
201.11327	91.9
202.11623	6.0
215.12750	1.9
225.11293	3.0
243.12352	2.7
293.50919	0.9
306.08920	1.0
307.09399	2.0
363.11411	0.9
363.20145	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	363.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98048	1.0
55.01859	1.1
57.03440	1.8
58.00587	4.6
59.01379	100.0
60.01720	1.5
71.01383	55.8
72.01690	1.3
72.99312	4.8
73.02916	1.3
77.89969	1.1
79.10339	1.1
83.01385	3.4
85.02953	10.3
87.00879	1.9
89.02447	58.2
93.86092	1.0
95.01392	4.1
98.19832	1.7
99.00827	1.1
101.02442	40.3
107.69244	1.1
113.02460	23.0
116.09542	1.0
119.03504	30.1
131.03532	1.5
143.03540	2.0
149.04576	1.9
161.04529	1.7
179.05580	4.1
183.13901	24.6
184.14255	1.7
200.53400	1.1
201.14943	4.2
252.77919	1.0
264.26697	1.3
363.20233	83.1
364.20749	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	363.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86678	0.8
54.49034	0.9
56.92833	0.9
57.03443	1.4
59.01383	37.9
69.36243	0.9
69.48612	5.3
71.01009	1.4
71.01380	22.3
72.99314	6.7
73.02943	2.2
75.00861	1.2
83.01375	2.1
85.02951	7.3
85.06608	1.0
86.96698	0.8
87.00865	0.9
89.02447	17.3
95.01380	1.6
96.95972	0.9
98.19916	1.9
99.00863	1.9
99.69904	0.8
101.02445	12.1
107.08710	2.1
109.10227	1.1
113.02438	9.5
113.06075	1.7
119.03498	6.6
119.75710	0.9
121.10199	1.1
123.03232	0.8
134.41524	0.8
136.07626	2.0
138.05605	4.6
139.11288	2.5
169.21059	0.8
171.42159	0.8
179.05545	1.2
183.10265	47.0
184.10553	2.4
201.11305	13.2
202.11588	1.1
227.08237	1.6
242.10626	1.2
249.06088	1.0
257.12961	9.6
267.07190	6.2
320.16028	1.1
345.11227	1.1
345.15723	0.9
363.16608	100.0
364.16858	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	363.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23924	0.7
57.03438	0.7
59.01379	100.0
60.01714	1.2
61.98835	1.7
63.97657	0.6
69.63548	2.3
69.63977	2.1
71.01382	12.8
72.99310	1.4
73.02955	1.1
79.10459	0.6
82.03008	1.2
83.01422	1.6
83.73357	0.8
84.72467	0.7
85.02944	3.8
87.00884	1.3
89.02448	11.8
95.31599	0.7
95.44428	0.7
98.95617	1.0
99.00898	1.6
101.02431	6.7
113.02458	6.4
113.06088	1.2
117.03452	6.2
119.03523	4.4
119.05057	2.8
127.07670	1.1
131.03526	1.0
143.03560	0.8
145.02953	42.4
146.03300	3.3
147.03539	0.8
161.04608	1.1
162.03374	0.9
163.04068	5.8
171.06654	0.8
183.10271	1.1
187.04047	1.5
187.61807	0.6
201.11331	1.1
248.33792	0.6
267.07205	3.3
307.09509	1.3
325.09277	10.4
326.09692	1.3
345.15698	0.9
363.12509	1.7
363.16617	13.7
364.17303	0.8
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
50.67157	0.5
55.01871	1.4
57.03434	1.1
58.00596	0.8
59.01382	14.0
60.01693	0.5
61.41950	0.4
65.67294	0.4
69.03445	0.6
69.50556	0.7
69.50965	2.0
71.01382	11.3
72.99311	13.9
73.02953	4.0
75.00858	0.6
83.01387	3.7
85.02959	6.5
86.00066	0.7
87.00887	0.7
89.02454	3.7
95.01382	1.5
96.96037	0.5
97.02884	0.4
98.19820	0.7
99.00880	1.5
101.02444	11.0
111.00821	0.8
113.02460	4.4
119.03490	1.3
129.01869	0.4
130.08720	0.7
137.05882	0.4
155.10687	1.0
161.04529	0.6
183.10263	2.4
201.11266	3.4
206.82388	0.4
267.07172	1.7
281.13864	0.5
328.22336	0.5
345.15616	1.8
363.16599	100.0
364.16876	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	363.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.9
56.26965	1.0
57.03439	3.9
58.00544	1.3
59.01379	30.2
61.43993	1.0
65.81667	0.9
67.51590	1.2
68.99809	1.6
70.11748	3.6
71.01012	1.9
71.01385	31.7
72.99316	7.9
73.02942	3.7
75.00465	2.1
75.00873	26.8
85.02457	2.2
85.02953	36.0
87.00879	13.0
89.02453	10.4
95.01395	6.7
99.00880	15.6
101.02417	2.2
103.00359	3.6
111.00840	1.2
113.02451	47.4
113.06092	77.6
114.06425	2.5
115.00369	3.0
117.01917	4.9
117.02662	1.3
128.01057	1.8
128.03575	1.3
129.01944	3.3
131.03491	2.9
157.01360	1.4
161.04526	1.1
164.03513	1.7
169.81046	1.2
175.02428	4.8
183.89246	1.1
191.07121	1.2
201.11212	3.1
205.07144	3.4
223.08223	2.3
231.05147	2.0
239.72955	1.1
249.06157	13.6
267.07205	100.0
268.07605	7.1
287.10394	2.4
302.68427	1.2
307.09598	1.7
345.11758	1.8
363.12909	64.1
363.16617	6.1
364.13504	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15858	0.5
59.01381	17.4
62.62648	0.5
65.34531	0.4
71.63595	0.4
72.91853	0.5
81.71199	0.5
98.20750	1.0
106.25302	0.5
274.93851	0.5
279.23285	100.0
280.23645	12.3
321.03094	0.6
361.15302	7.1
361.23587	17.0
362.15079	0.7
362.23889	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	361.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	81.0
69.94579	100.0
79.05936	17.7
98.52757	21.2
119.19780	16.9
279.26019	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	362.182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55758	5.5
51.74094	6.5
59.01381	66.7
61.98831	76.4
70.29051	21.9
71.01383	17.5
73.02938	10.2
89.02454	12.3
92.94070	5.6
101.02446	14.3
132.78612	6.0
165.00226	7.3
183.13799	6.0
192.01257	47.9
197.25571	7.3
201.15071	10.8
231.27859	6.1
248.03879	13.4
302.18652	7.1
306.09186	100.0
307.09500	10.4
320.11453	6.5
362.11966	12.4
363.16162	8.1
363.20218	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.7
57.03455	3.2
58.00578	0.6
58.02967	2.2
59.01373	4.4
62.46792	0.4
69.03458	0.8
69.19096	4.1
70.02991	0.4
71.01383	3.7
71.05012	1.0
72.99300	0.5
73.02952	2.6
74.02478	4.0
81.03445	0.7
82.02975	1.6
83.01386	1.4
83.05024	5.4
83.37804	0.4
84.02156	1.2
84.74541	0.4
85.02950	2.7
85.04079	0.5
85.06572	1.7
87.04511	5.9
89.02457	1.0
93.03436	0.4
95.05023	1.6
96.04543	2.5
96.96004	1.2
97.02943	1.1
97.04066	2.5
97.06590	2.0
98.02464	2.2
98.19810	0.9
99.00860	1.0
99.02025	0.3
99.04491	0.6
99.05633	3.8
100.00372	0.5
101.02456	2.5
101.06071	0.7
103.03983	0.9
106.04190	0.6
106.97320	0.4
108.04537	2.1
109.02959	0.5
109.04096	0.4
109.06577	0.7
110.02457	0.5
111.08131	1.3
112.04060	2.8
112.07674	2.9
113.02421	1.3
113.03574	1.8
113.06063	1.5
115.07650	1.3
121.06693	0.4
122.06129	1.1
123.08136	1.4
124.04073	2.5
125.03556	0.7
125.04839	0.9
125.06000	0.5
125.09720	2.7
127.05120	3.5
127.11307	3.3
128.50307	0.4
133.06938	3.0
135.02979	1.1
135.08142	1.4
137.07208	1.4
137.09724	2.5
138.05576	0.4
139.07607	0.7
140.07179	4.5
141.09235	0.9
143.04611	1.1
145.08665	0.9
146.27357	0.4
150.04297	0.6
152.03578	1.0
153.09230	1.9
155.08267	7.5
155.10779	10.5
155.14375	0.7
156.11089	0.7
161.04572	0.8
163.11261	1.1
165.06682	5.2
165.12816	0.5
165.81595	0.4
166.04982	0.8
167.14343	0.6
169.12312	0.7
171.10266	23.2
172.10583	1.6
173.84756	0.4
181.12340	1.6
183.07741	10.8
183.13930	1.4
184.08081	0.7
185.11842	1.0
192.01231	1.3
199.09734	8.9
199.13428	1.9
201.11317	10.7
205.07007	0.7
207.10263	2.2
209.11790	3.9
210.12300	0.4
211.13379	7.0
212.13635	0.6
213.11391	0.6
217.12337	0.5
225.05121	0.9
225.11331	2.7
227.06720	16.5
228.07059	1.2
229.14447	18.8
230.14827	1.4
235.13466	0.7
237.14992	2.9
241.10786	0.9
243.12369	7.0
248.03894	1.1
253.10730	0.5
255.15881	2.0
273.17081	8.1
306.09140	4.5
325.20142	0.6
343.21140	2.1
361.14798	3.8
361.22302	100.0
362.11542	0.5
362.22635	13.0
362.27173	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.3
57.03438	2.4
58.00594	0.7
59.01378	23.7
59.41643	0.7
69.03453	2.5
70.35455	2.3
71.01379	22.3
71.05020	0.6
72.99298	1.1
73.02950	7.5
83.01376	3.6
83.05019	1.5
83.63309	0.7
85.02948	10.5
86.00112	0.9
87.00874	1.4
87.19527	0.6
89.02448	5.1
95.01405	2.2
97.06582	1.5
97.58340	0.7
99.00877	1.9
101.02442	14.3
101.03106	0.9
109.02998	0.9
111.00893	1.1
113.02457	7.0
119.03515	1.5
121.02946	1.6
122.03771	0.8
123.08165	0.7
125.09732	1.0
139.12482	0.6
141.01967	0.6
147.04524	0.8
153.12837	1.4
161.04533	0.8
165.05554	2.8
171.10239	1.5
179.07166	1.1
181.12302	3.4
185.11835	5.1
197.11823	2.4
199.13377	11.4
200.13731	0.8
201.11241	1.2
209.11819	2.6
210.12108	0.9
211.13490	1.4
221.11803	0.9
223.13432	0.8
237.14972	1.6
253.14569	0.7
255.15974	1.8
273.17010	5.9
306.09213	1.8
343.17435	1.6
343.21338	3.1
346.14349	0.9
361.18573	100.0
361.22440	35.6
362.18942	12.6
362.22821	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	361.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39183	0.7
55.01884	3.0
55.93377	0.7
57.03439	1.8
58.00597	4.2
59.01379	100.0
60.01712	0.9
61.98834	1.5
63.63424	0.7
69.40556	2.5
69.40979	3.3
71.01381	73.9
72.01726	1.6
72.99317	4.3
73.02951	4.3
74.02464	1.1
75.00885	0.7
83.01410	2.9
85.02946	14.4
87.00893	3.7
87.04544	1.1
89.02443	79.3
90.02789	1.6
95.01404	4.6
96.96027	2.4
97.02964	1.1
99.00898	1.0
99.04558	1.2
101.02443	42.9
113.02451	27.3
114.02840	1.6
114.05651	0.8
119.03496	35.7
120.03841	0.9
125.02457	0.9
125.06092	1.5
130.08765	1.8
131.03520	3.2
134.06161	1.7
143.03481	3.7
149.04614	2.7
151.11302	0.8
155.10776	4.7
157.01468	0.8
161.04602	4.5
162.05609	4.4
179.05682	5.1
191.00554	1.3
192.01212	5.1
199.09698	5.4
212.04903	0.8
239.07764	0.8
240.04257	6.8
248.04001	2.3
255.06670	1.7
265.05328	0.9
283.06299	3.3
285.08920	1.5
285.12476	1.7
292.03128	1.1
298.08527	3.8
305.06168	3.4
306.09229	9.0
313.10767	9.5
313.14090	0.9
314.11069	1.0
317.15228	2.3
318.15158	1.5
319.93527	0.8
329.11377	0.9
361.09497	1.0
361.14816	1.5
361.18985	1.5
361.23013	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1506
Annotation	5-Deoxylamiol
Peak:m/z	Relative Intensity
56.35109	0.8
57.03426	1.7
58.00589	2.1
58.42712	1.1
59.01380	40.7
61.98820	1.3
69.03450	2.0
69.46502	5.3
71.01006	1.6
71.01382	26.1
72.65121	0.8
72.99319	5.3
73.02930	2.3
81.76019	1.1
83.01395	2.4
85.02952	5.7
87.00851	2.2
87.69742	0.9
89.02446	19.3
93.03445	1.0
95.01367	2.2
96.96007	6.5
99.00861	1.1
100.25949	0.8
101.02445	13.6
107.08666	16.9
111.04503	0.9
113.02454	9.1
117.03455	1.2
119.03498	7.1
119.04992	1.8
119.08646	2.7
125.06092	1.2
130.08731	1.0
135.08096	1.0
137.09697	1.3
145.02969	10.2
153.09215	1.4
156.62506	0.9
161.04594	1.1
163.07663	1.1
163.99371	1.1
169.09937	1.1
173.04558	1.8
174.99266	1.2
177.99689	1.2
181.08705	24.1
182.08983	1.8
191.05623	2.7
192.01266	9.5
199.09756	24.4
229.03940	1.7
240.04198	0.9
241.10767	1.2
248.03941	2.6
292.02908	1.4
306.09164	22.4
313.10828	1.3
317.11423	1.3
318.14841	2.1
325.09250	2.9
361.15018	100.0
362.11630	1.4
362.15207	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	361.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38400	0.6
54.65644	0.7
55.01878	1.0
57.03448	2.2
58.00595	4.3
59.01378	100.0
60.01719	1.5
61.98836	2.7
67.01871	0.9
69.03459	1.2
71.01380	68.7
71.22546	0.6
71.26456	1.2
72.01720	1.1
72.99313	5.4
73.02953	2.4
74.02473	0.8
83.01392	2.5
83.41063	0.7
85.02943	12.0
87.00883	2.9
89.02444	76.3
90.02787	2.0
93.03462	2.2
95.01401	4.1
96.95993	6.0
99.00877	1.3
101.02444	33.5
101.37045	0.7
102.02837	0.7
102.43344	0.6
113.02446	23.2
114.02782	0.9
119.03497	28.4
119.04971	1.8
119.08679	2.1
120.03840	1.0
131.03503	1.9
137.02451	0.8
137.09708	7.5
143.03499	2.3
144.79045	0.6
149.04529	1.3
161.04564	2.9
163.04008	2.4
173.04546	2.7
177.99673	1.0
179.05606	4.4
181.08676	11.2
191.00497	1.2
191.05629	2.6
192.01236	5.5
248.03891	2.0
279.08121	1.1
306.09146	13.5
361.15002	38.0
362.11722	1.9
362.15433	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	361.1518
Annotation	Gibboside
Peak:m/z	Relative Intensity
51.11716	0.6
52.13337	0.6
54.03081	0.6
57.03426	0.8
59.01387	3.7
71.01386	2.4
71.42165	1.1
73.02959	2.9
74.02478	1.5
85.02937	1.4
86.33825	0.6
87.04530	2.1
92.49483	0.6
99.44763	0.6
101.02464	1.4
111.04610	0.6
112.07707	1.0
113.02474	3.6
117.68464	0.5
122.82809	0.7
135.08139	0.8
137.09731	12.8
140.07185	0.7
155.08192	2.0
155.10779	100.0
156.11099	6.2
165.06720	1.4
169.12358	1.3
171.10217	0.7
181.08725	1.1
183.07761	2.7
199.09763	94.4
200.10098	5.3
201.11342	1.7
211.23576	0.6
213.11382	1.2
227.06725	3.1
241.10806	5.2
269.04483	1.7
306.09464	0.8
361.14529	1.3
361.18521	1.2
361.22394	6.2
362.22537	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.0
58.02977	11.7
59.01360	3.2
59.62525	1.1
70.02956	1.9
70.15970	2.5
70.16366	2.6
73.02911	1.8
74.02468	22.9
80.05081	1.8
82.02972	6.1
83.01388	3.7
83.05024	1.8
84.00925	1.6
84.04495	1.6
85.02952	2.2
86.02467	1.7
86.06119	1.8
86.59839	1.1
87.04508	5.8
87.05659	1.5
95.05032	1.6
96.04565	11.5
97.04074	11.9
98.02465	6.6
98.20613	1.2
99.05639	22.9
100.00381	3.5
101.02407	2.3
101.84698	1.3
102.31770	1.1
108.04560	11.4
109.04053	3.8
110.02492	2.5
111.03257	1.4
112.04040	15.7
112.07691	14.6
113.03575	8.1
118.42571	1.3
122.06094	4.4
124.04082	9.1
125.03547	4.6
125.04840	6.6
126.04382	1.5
126.05570	4.9
127.05128	16.6
127.11231	2.0
133.06926	16.8
137.07185	7.4
137.09724	2.0
138.05569	1.8
139.08794	1.5
140.07170	22.5
141.07455	1.6
143.04597	5.4
145.32179	1.2
147.05571	1.2
149.67160	1.1
150.04344	1.6
152.03545	6.7
155.07019	2.5
155.08257	39.5
155.10751	7.2
156.08542	1.2
165.06693	28.0
166.05049	3.2
166.07039	1.3
171.10249	4.5
181.06195	2.8
183.07738	62.7
184.08031	4.7
199.09695	5.2
201.11240	2.4
209.05635	1.6
209.11804	2.0
211.13403	6.8
225.05099	4.1
227.06720	100.0
228.06996	8.3
229.14412	16.9
237.14859	2.6
273.17126	3.0
306.09018	2.3
361.14548	17.2
361.22253	55.7
362.14639	1.9
362.22632	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	361.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62952	1.3
57.03447	1.7
58.02974	13.5
59.01384	3.7
64.26523	1.4
69.74629	9.4
70.02969	2.1
71.01377	3.3
72.46652	1.3
73.02943	1.5
74.02477	24.1
74.09696	1.4
75.00871	2.6
81.00326	1.6
82.02991	8.5
83.01392	5.0
83.05003	3.5
85.02964	3.2
85.04096	2.0
86.02420	1.4
87.02711	1.7
87.04515	3.0
87.05630	2.8
89.02472	1.6
96.04553	12.1
97.04082	15.7
98.02488	7.1
98.20646	2.9
99.05647	23.5
100.00417	4.6
100.04036	1.4
101.02466	2.8
108.04560	12.9
109.04074	1.7
110.02493	4.4
110.06088	2.3
111.03262	1.9
112.04070	15.8
112.07685	12.8
113.03549	7.1
120.04591	2.2
122.04869	1.6
122.06117	7.5
124.04034	15.9
125.03572	3.9
125.04867	7.7
126.04285	1.8
126.05618	3.5
127.05127	22.4
127.08770	2.1
127.11286	1.4
133.06935	18.2
135.03033	8.0
135.08142	2.4
137.07233	8.0
137.09711	4.6
138.05563	2.8
139.08736	2.4
140.07172	23.3
143.04593	6.0
152.03549	7.5
155.08275	44.8
155.10771	27.6
156.08635	2.0
157.52324	1.5
165.06705	27.6
166.05063	4.1
166.07086	2.3
171.10265	4.7
181.06117	3.7
183.07747	65.3
184.08139	2.8
199.09746	22.3
201.11339	4.9
209.05617	2.2
211.13397	2.4
225.05229	3.6
225.11391	1.6
227.06737	100.0
228.07114	4.1
229.14417	3.5
241.10730	2.4
243.12338	5.2
255.16034	1.8
273.17065	2.8
306.09174	4.4
361.14682	14.6
361.22250	34.4
361.26590	2.5
362.15012	2.6
362.22781	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	359.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74220	0.5
59.01379	22.2
64.79917	0.5
70.96670	1.2
70.97014	0.5
71.01413	0.6
71.25793	0.5
97.66584	0.6
176.33797	0.6
258.70160	0.5
277.21710	100.0
278.22058	11.7
349.40488	0.5
359.22021	16.8
360.22388	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	360.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63622	0.9
56.85954	0.9
59.01381	100.0
59.73109	0.8
60.01718	1.2
70.00348	4.3
71.01376	3.2
81.18639	0.7
85.63416	0.9
89.02444	2.1
90.74500	0.8
98.19914	1.0
111.00906	2.2
119.05016	0.9
122.94923	0.9
128.66537	0.8
130.08759	2.1
130.16446	0.8
133.63174	0.7
163.03944	1.2
191.05524	1.3
241.11845	0.9
264.61401	0.9
268.86017	0.8
298.14072	1.9
361.15060	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	359.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02996	0.9
58.43676	0.8
59.01379	14.0
59.76784	0.9
61.98833	1.8
65.21413	1.0
70.02979	1.2
71.01384	2.4
71.32610	0.9
72.00917	1.4
73.04086	2.8
74.02473	26.5
82.06638	1.4
84.00888	1.9
85.02969	1.8
85.04076	1.9
87.05637	96.7
88.04031	5.2
88.05970	2.3
90.17908	0.9
93.03455	2.3
96.96007	1.9
97.04086	5.1
98.02438	1.7
99.05654	1.7
101.02483	1.2
101.07215	2.4
107.05033	3.6
108.02198	2.8
109.01712	2.0
113.03584	9.5
115.08795	1.3
116.07153	1.4
119.05066	1.3
121.02942	7.6
123.00880	2.2
123.04504	1.8
125.03575	6.1
126.09249	2.4
127.05171	0.9
128.03558	2.6
129.10297	2.0
130.06201	1.7
130.08768	4.8
131.04611	9.8
135.04521	2.6
137.06114	6.5
138.03223	2.8
141.10306	1.1
143.04604	1.0
143.11914	3.8
145.06192	1.1
151.04001	39.1
151.08789	1.4
152.04372	1.8
152.07146	9.8
153.01947	5.7
153.05577	17.1
153.10320	3.7
155.08295	1.1
155.11923	3.0
161.04546	1.2
166.99873	0.8
169.09808	2.9
169.83168	0.8
177.01840	0.9
179.03491	50.5
180.03833	3.2
182.02249	3.0
183.11363	10.5
187.10892	1.4
191.05618	1.3
197.04535	10.1
200.14023	20.0
201.12448	1.4
201.14311	1.4
210.07660	1.5
210.12524	1.8
214.15605	11.2
215.15884	1.2
228.17473	0.8
240.13512	10.4
241.13858	1.0
271.17776	11.1
296.08713	1.8
298.99216	1.0
315.16702	100.0
316.17035	9.6
329.18237	2.7
330.12827	1.1
332.40741	0.9
341.14581	1.5
359.19150	9.0
359.22949	0.8
383.31387	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1498
Annotation	Piperphilippinin VI
Peak:m/z	Relative Intensity
53.95923	1.2
59.01384	15.3
68.42442	1.2
68.49267	1.4
69.03462	1.7
70.59373	1.3
70.86620	2.5
71.01385	4.8
85.02934	2.4
87.00898	2.0
89.02433	3.9
93.03461	4.9
97.61193	1.4
101.02425	2.9
108.02112	1.6
109.02965	2.1
110.27927	1.4
113.02441	3.5
115.83985	1.2
119.05196	1.4
121.02927	4.2
123.04584	1.4
130.08748	2.4
131.05017	1.5
133.94745	1.2
134.03731	3.3
135.04536	3.1
135.08208	1.8
143.04994	1.9
145.02905	2.6
145.06474	1.3
146.03720	3.1
147.04486	4.7
148.05263	7.2
149.06059	3.8
150.03149	1.5
153.01953	4.5
153.09209	24.7
154.09514	2.2
158.03694	4.3
159.04521	10.6
160.05307	18.6
161.02411	2.2
161.06068	29.9
162.03220	9.8
162.06845	7.7
163.04005	8.3
165.05515	1.4
171.04523	2.8
172.05295	99.5
173.04530	2.4
173.05901	11.1
174.03191	10.5
174.06577	1.4
175.03860	3.6
175.07639	14.2
176.08066	2.0
177.05565	13.0
178.06337	12.7
179.06961	1.6
180.04269	5.2
187.07635	87.3
188.07980	5.3
188.44225	1.3
189.05522	7.6
190.06346	38.7
190.58937	1.3
191.05542	4.0
191.07098	21.2
192.04277	5.7
193.05052	6.6
193.08728	1.5
197.08176	16.3
204.07845	7.3
205.08690	39.5
206.08997	3.4
207.06564	7.3
208.07428	2.1
210.05345	6.5
212.05777	1.9
221.08156	1.6
221.89149	1.6
227.08194	7.3
240.06418	2.0
241.09927	2.3
255.11357	1.9
275.07062	2.5
281.08368	6.5
282.08649	1.5
283.10870	4.3
284.10587	2.3
293.08264	8.5
296.10519	6.3
297.11163	4.3
299.12897	9.5
308.10587	4.9
311.09177	3.4
311.12817	12.7
315.13455	9.8
318.63098	1.3
323.12909	8.5
326.82346	1.6
329.13947	54.2
330.14078	6.4
341.13922	100.0
342.14221	14.7
351.66467	1.2
359.14951	34.7
359.20642	5.5
360.15530	6.5
360.19818	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	359.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.91264	0.9
61.98815	1.5
69.89692	4.4
70.02943	1.0
71.01370	9.4
72.99251	0.9
73.02943	1.9
73.04049	3.3
74.02458	2.3
75.00857	1.3
83.01397	1.1
85.02941	2.3
86.61342	1.0
87.05636	3.5
88.04030	5.0
89.02451	1.2
95.01358	1.8
99.00845	1.8
101.02422	4.0
101.07187	1.0
102.05609	2.4
106.04180	1.4
106.11943	0.9
109.01661	1.3
113.02430	3.3
113.03587	2.2
114.05626	0.8
119.05013	2.6
123.00898	18.3
123.04491	0.9
125.02457	1.1
127.05132	2.4
128.03519	4.9
129.03929	1.1
130.08730	10.1
131.04611	1.1
133.01498	1.0
137.02426	1.9
137.06085	58.3
138.03224	19.6
138.06422	2.9
139.03725	1.4
140.08266	1.7
143.11900	5.3
145.06136	1.0
151.03951	3.8
153.01909	6.1
153.05563	9.1
154.05873	1.1
159.02997	1.4
161.04562	8.8
166.99852	4.1
168.00166	0.9
169.09801	1.3
179.03445	3.9
181.01422	2.4
182.02226	18.2
184.07304	1.8
186.02303	1.3
191.05635	2.2
197.04561	47.2
198.04860	3.1
200.14043	2.1
207.81133	1.1
210.07712	1.3
214.15596	1.2
229.15529	1.2
247.14832	1.1
267.09637	1.1
271.17603	1.3
274.04337	1.2
278.38181	1.0
294.66553	1.0
298.14108	2.2
315.16745	16.1
324.11722	2.0
338.01395	1.1
359.10074	5.5
359.19522	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	359.1347
Annotation	Semperoside
Peak:m/z	Relative Intensity
57.03458	1.6
59.01381	24.2
64.27122	1.0
69.75638	5.5
70.33849	0.9
71.01379	12.6
73.02947	1.6
77.26894	1.1
85.02934	5.5
89.02435	11.1
93.03456	1.2
95.01356	2.4
97.02936	1.1
98.20690	1.9
101.02437	5.8
107.08699	1.9
109.02829	1.3
109.06544	1.6
111.04515	1.5
113.02424	5.5
119.03514	2.5
133.10190	2.8
135.08148	5.8
141.12279	0.9
151.06056	1.2
153.09210	100.0
154.09518	4.6
167.10771	1.5
177.09158	1.6
179.07123	2.0
191.05510	1.9
195.10190	1.2
197.08185	79.6
198.08545	5.9
239.09233	2.5
315.20099	5.3
359.20578	3.3
375.02933	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	359.0151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	85.7
61.98532	1.4
61.98829	17.6
63.69947	0.9
71.52866	1.2
72.99323	5.7
73.02946	2.9
114.98784	1.1
117.00447	2.5
118.96629	1.1
120.49384	0.9
156.99915	2.1
157.03542	1.6
159.01408	4.5
161.98903	1.1
174.99284	22.4
175.99623	1.4
179.73972	1.0
180.18594	0.9
198.61493	1.0
198.91907	1.1
198.99440	2.3
201.02542	23.9
202.02711	4.4
203.02350	2.4
203.99966	3.2
215.00432	1.1
215.04094	4.2
216.04248	2.0
217.00313	100.0
217.03758	4.9
217.97867	3.8
218.00787	4.0
231.00432	1.7
232.98569	4.2
251.06184	0.8
256.98444	2.0
259.01486	2.3
273.01636	3.2
274.99591	25.2
275.99649	7.2
298.99512	1.9
315.02606	2.2
317.00613	39.8
318.00681	9.3
341.00754	1.5
359.01660	65.4
360.01791	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	359.1346
Annotation	Semperoside
Peak:m/z	Relative Intensity
59.01379	25.4
69.06741	1.5
69.27888	3.8
69.28311	11.2
71.01389	13.3
74.26298	1.5
85.02949	5.8
89.02444	7.6
98.20725	2.0
101.02441	6.8
107.08676	2.5
113.02436	8.9
119.03461	2.2
133.10249	3.0
135.08174	3.6
153.09215	100.0
154.09535	5.4
167.10709	1.6
177.09315	1.8
196.06682	1.6
197.08195	84.5
198.08551	5.8
241.18475	1.7
324.16354	2.1
327.13556	1.9
346.82382	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	358.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85526	0.8
59.01377	6.8
65.47284	0.9
66.03510	1.0
66.55030	0.8
69.39701	5.9
70.02979	2.2
71.01379	1.9
80.05036	1.0
81.02205	4.0
82.03001	3.2
82.06608	1.2
85.02957	0.9
86.02503	0.9
87.05658	1.4
89.02443	1.1
92.83315	0.8
96.00909	8.0
97.01275	1.0
98.02486	13.1
99.02829	1.0
101.02448	1.2
101.14691	0.8
109.01693	4.5
111.03260	1.1
113.03556	7.4
114.01974	2.8
114.09242	1.0
122.09696	1.4
123.09270	1.1
129.10333	1.4
130.08740	80.5
131.04562	1.0
131.09077	3.5
138.09245	21.3
139.08771	3.8
140.07173	7.0
149.66277	1.0
152.07179	1.5
153.02002	1.2
153.09245	7.8
153.10347	1.9
154.10948	1.0
161.03551	2.0
164.09618	1.8
165.10345	1.2
166.08736	37.7
166.10149	1.9
167.09067	1.7
168.09064	1.6
168.10345	1.6
173.04520	1.5
178.11171	1.1
183.11305	1.4
191.05617	1.9
197.08217	6.0
199.18100	6.5
204.09062	2.3
209.09338	2.1
225.16096	10.2
227.10405	1.8
233.16647	3.9
235.18108	10.9
236.11682	1.3
243.17076	9.5
253.19099	1.0
261.15991	8.9
279.17169	7.0
323.16110	100.0
324.16434	11.5
329.31274	0.9
340.18732	34.6
341.19067	3.6
358.19705	16.2
359.20306	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	358.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11632	1.2
58.02972	1.6
59.01385	12.3
62.77760	1.2
63.39625	1.2
68.09708	1.4
70.02959	2.2
71.01367	4.5
81.02191	6.3
82.02973	2.4
82.06614	3.3
85.02972	3.0
87.00858	1.3
87.05631	3.3
89.02438	6.0
92.69937	1.4
93.03439	2.4
94.16172	1.3
96.00925	6.4
98.02480	23.9
101.02432	3.6
103.03112	1.3
109.01712	2.8
110.44786	1.3
113.02451	2.5
113.03579	7.7
114.01992	2.6
116.07159	6.2
119.03510	1.3
122.09767	2.0
130.08736	65.3
131.09094	2.4
133.10252	1.9
138.09248	21.7
140.07161	5.6
145.51385	1.4
147.04497	1.9
148.05188	1.7
153.01955	2.8
153.09233	10.1
160.05234	4.1
161.06068	4.1
164.09521	2.5
166.08730	30.0
167.09120	1.6
168.10246	2.5
172.05286	17.5
173.04529	2.3
173.06062	2.1
174.03339	1.9
175.07622	2.8
177.05522	3.4
178.06328	3.3
178.11096	1.4
185.16655	1.4
187.07634	14.4
190.06364	7.8
191.05571	3.8
191.07152	5.6
193.04980	2.1
197.08203	8.6
199.18149	3.4
205.08691	6.1
207.06754	1.5
209.09183	1.9
225.16063	6.8
227.08313	1.6
233.16585	3.1
235.18143	8.0
242.18591	1.4
243.17018	7.4
261.16013	5.2
279.17093	8.5
293.08209	1.6
311.12885	1.7
315.13446	4.9
323.16125	100.0
324.16479	10.5
328.18686	4.1
329.13959	11.0
340.18768	37.8
341.13962	19.7
341.17960	2.2
358.19788	12.7
359.15323	7.1
359.20651	4.5
384.79034	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	358.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85526	0.8
59.01377	6.8
65.47284	0.9
66.03510	1.0
66.55030	0.8
69.39701	5.9
70.02979	2.2
71.01379	1.9
80.05036	1.0
81.02205	4.0
82.03001	3.2
82.06608	1.2
85.02957	0.9
86.02503	0.9
87.05658	1.4
89.02443	1.1
92.83315	0.8
96.00909	8.0
97.01275	1.0
98.02486	13.1
99.02829	1.0
101.02448	1.2
101.14691	0.8
109.01693	4.5
111.03260	1.1
113.03556	7.4
114.01974	2.8
114.09242	1.0
122.09696	1.4
123.09270	1.1
129.10333	1.4
130.08740	80.5
131.04562	1.0
131.09077	3.5
138.09245	21.3
139.08771	3.8
140.07173	7.0
149.66277	1.0
152.07179	1.5
153.02002	1.2
153.09245	7.8
153.10347	1.9
154.10948	1.0
161.03551	2.0
164.09618	1.8
165.10345	1.2
166.08736	37.7
166.10149	1.9
167.09067	1.7
168.09064	1.6
168.10345	1.6
173.04520	1.5
178.11171	1.1
183.11305	1.4
191.05617	1.9
197.08217	6.0
199.18100	6.5
204.09062	2.3
209.09338	2.1
225.16096	10.2
227.10405	1.8
233.16647	3.9
235.18108	10.9
236.11682	1.3
243.17076	9.5
253.19099	1.0
261.15991	8.9
279.17169	7.0
323.16110	100.0
324.16434	11.5
329.31274	0.9
340.18732	34.6
341.19067	3.6
358.19705	16.2
359.20306	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	358.1984
Annotation	Glu-Ile-Val
Peak:m/z	Relative Intensity
50.83173	1.4
51.32989	1.5
53.58071	1.6
59.01378	26.3
61.98818	4.7
65.87498	1.5
69.54544	10.2
71.01387	5.9
73.02930	2.1
73.04079	4.9
74.02470	3.7
75.35683	1.4
82.06602	1.8
84.04530	10.3
85.02930	3.4
87.00898	1.6
87.05637	3.4
88.04043	9.6
93.03458	1.7
95.01404	2.1
96.00938	3.3
101.07159	1.8
102.05609	41.2
107.78574	1.4
110.02452	1.5
111.02065	1.7
113.03503	1.8
115.08762	10.9
116.07171	8.9
123.00882	37.0
125.07208	4.3
127.05138	3.7
128.03539	73.9
129.03918	2.7
129.10321	2.6
130.08733	23.4
131.09088	1.7
137.06082	10.3
138.03230	47.1
140.08257	3.5
143.11859	8.9
145.06221	1.8
146.04581	15.7
151.03989	2.7
153.00861	1.5
153.01910	8.6
153.05589	16.1
157.13506	2.0
161.04594	1.5
166.99860	11.2
171.14986	9.5
179.03542	2.2
181.13448	4.3
182.02205	38.4
183.15018	6.3
184.07281	2.9
185.16618	4.6
187.10956	1.9
197.04544	100.0
200.14091	1.9
211.14511	12.4
214.15665	2.5
223.10847	7.8
228.17143	7.7
229.15538	37.8
230.15797	2.5
270.21909	3.5
314.20804	10.8
315.16727	19.4
315.20367	1.9
324.12027	3.1
358.19861	68.4
358.25275	7.5
359.09769	4.7
359.19604	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	358.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.6
59.01373	5.8
62.27705	0.5
63.57515	0.5
63.88206	0.5
67.01916	0.7
69.03462	0.8
69.37672	2.5
69.38086	2.2
71.01382	3.4
79.84025	0.7
83.05006	0.7
85.02966	3.0
87.00892	0.9
89.02431	1.1
93.03463	3.6
101.02413	0.8
104.91342	0.5
105.67609	0.6
108.08197	100.0
109.08536	4.5
111.04510	0.6
113.02454	2.5
120.08176	3.0
121.02966	1.2
130.06709	0.6
130.08716	2.5
132.08202	1.5
134.03781	0.9
135.04454	0.8
136.00711	0.8
136.01677	8.0
137.01982	4.8
148.07689	1.4
149.06070	0.6
151.03999	10.1
152.04482	6.2
152.07172	79.7
153.01921	1.0
153.04532	0.6
153.07523	3.6
153.09338	0.6
154.05034	0.7
164.07152	0.9
166.08731	16.9
167.09125	0.9
171.10291	1.5
173.04532	4.2
173.73659	0.5
176.07104	1.0
185.11800	0.6
191.05612	7.5
194.08191	10.5
196.06143	50.7
197.06529	2.6
197.08127	0.5
211.13426	0.9
213.15013	0.6
215.91960	0.6
220.90268	0.6
238.07152	8.9
241.14432	2.1
243.12462	0.9
251.12674	0.7
257.61609	0.6
280.62814	0.6
298.09323	4.8
333.78812	0.6
358.11325	4.9
358.14243	2.3
358.26205	1.4
359.20813	2.7
369.68890	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79496	1.8
59.01380	12.6
61.98831	100.0
71.01390	4.4
72.00906	2.0
72.99314	1.8
73.04079	2.2
74.02458	2.3
80.31672	1.8
85.02970	3.9
88.04046	5.6
89.02424	2.3
99.00858	2.2
101.00960	2.2
114.01977	2.8
114.05586	2.2
115.00375	4.8
117.00442	4.1
126.98838	2.5
127.05154	1.8
128.03548	2.3
129.01929	3.3
130.08739	54.5
131.01978	5.4
133.05112	2.6
141.00409	1.9
145.06198	2.9
145.09808	3.2
152.07141	2.5
153.01942	1.9
168.01498	4.6
185.92392	1.7
186.06258	2.3
188.07724	12.6
195.07780	2.1
202.09343	5.5
210.02515	4.3
216.07291	3.3
217.00308	6.7
225.13528	3.9
227.00487	3.8
227.05234	2.2
227.97777	2.4
228.07248	4.2
240.07234	3.8
243.06433	2.1
243.14647	2.1
268.06833	2.4
281.09879	6.7
282.08340	2.8
296.06052	3.1
297.99680	3.6
298.07828	7.4
315.20251	2.3
358.17520	9.3
359.15366	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	3.1
59.01372	7.8
61.98846	9.3
69.03448	3.3
71.01373	9.7
73.02943	2.2
73.19318	1.6
73.98187	1.9
80.02656	2.3
81.03436	3.4
83.05013	2.7
85.02951	3.1
85.06608	2.2
87.00874	2.4
87.04510	3.2
93.03448	4.2
97.02953	3.8
97.06582	4.4
98.20679	3.8
99.04510	3.8
101.02428	2.1
108.02134	2.6
109.06588	24.9
110.03693	1.9
111.08144	2.4
113.06081	2.9
116.07210	2.3
121.06593	10.2
123.08155	19.6
125.06063	4.2
125.09728	16.6
127.11248	4.9
130.08762	2.1
137.06070	14.2
137.09709	1.9
138.03212	7.0
139.07639	5.5
139.11287	2.1
141.05557	8.7
149.06075	3.4
151.07635	6.3
155.07068	4.2
155.10707	4.2
167.07120	100.0
168.07457	5.8
171.10249	52.3
183.10252	2.0
185.08107	5.8
185.11809	2.2
186.11311	1.9
187.09662	3.0
199.09731	4.1
201.11313	68.5
202.11642	5.5
211.09718	3.0
213.11351	3.8
217.10764	3.0
229.10793	21.2
229.15479	2.3
269.13950	3.0
277.18179	2.3
285.14938	4.0
303.15927	9.3
313.17535	7.8
321.16992	37.1
322.17331	4.2
339.18213	7.9
357.13174	1.7
357.19153	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	357.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.2
57.81170	1.4
59.01376	4.0
69.03439	1.4
70.17713	6.3
71.01391	5.3
71.05042	1.7
73.02979	1.4
80.02683	3.9
81.03498	2.0
83.05009	1.4
85.00145	1.3
85.06587	1.7
93.03452	2.4
97.02943	1.8
97.06590	2.4
99.04534	1.9
108.02117	2.9
109.06583	25.1
110.06958	1.6
111.08147	1.4
113.06085	3.4
121.06602	9.2
123.08167	22.7
124.08450	1.4
125.06081	4.6
125.09732	19.9
127.11297	4.7
137.06071	15.5
138.03285	3.7
139.07695	6.9
139.11278	4.8
141.05573	5.7
149.06075	1.6
151.07581	4.1
155.07137	5.9
155.10803	2.4
165.09216	1.9
167.07127	82.7
168.07458	5.1
171.10245	37.9
179.07141	1.6
185.08206	7.4
187.09785	10.6
193.26447	1.4
199.09769	4.3
201.11317	100.0
202.11670	6.4
213.11440	6.8
217.10776	3.7
229.10811	15.9
275.16608	1.9
277.18076	4.5
293.17502	2.1
303.15982	9.9
321.17026	53.3
322.17395	6.0
339.18002	8.6
352.28488	1.4
357.19244	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24773	1.8
58.00594	1.9
59.01366	3.6
69.03459	2.4
70.38214	5.2
71.01381	6.6
71.58594	1.7
71.90246	1.8
80.02654	3.3
91.23966	1.7
93.03458	4.4
97.02949	2.5
97.06564	2.9
98.19405	1.9
98.95708	1.9
99.04517	2.9
108.02179	5.2
109.06598	28.2
121.06612	11.0
123.08169	27.2
125.06101	3.0
125.09742	16.0
127.11298	6.1
135.08211	2.1
137.06111	23.4
137.09717	3.4
138.03241	4.9
139.07652	6.3
139.11282	3.9
141.05615	4.6
149.06113	3.2
151.07626	5.6
155.07138	4.4
155.10786	3.1
167.07144	77.8
168.07481	2.1
171.10272	34.5
172.10623	2.0
185.08194	6.0
187.09763	6.4
199.09770	4.1
201.11330	100.0
202.11691	4.9
213.11327	4.0
217.10800	3.7
229.10831	17.5
230.11273	2.1
277.18085	4.0
293.17648	2.6
303.15997	14.9
307.78949	1.8
321.17087	63.7
322.17444	10.2
339.18048	5.6
357.19104	6.2
376.69086	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1342
Annotation	3,3'-bis(3,4-dihydro-4-hydroxy-6-methoxy-2H-1-benzopyran)
Peak:m/z	Relative Intensity
59.01376	0.6
60.35889	0.1
61.98836	0.2
68.99812	0.3
69.03462	0.6
71.01384	0.3
71.54568	0.2
80.99800	0.1
81.38730	0.1
84.02164	0.4
85.02969	0.5
88.04049	1.0
89.77020	0.1
93.03450	1.3
95.01394	0.4
97.02951	0.3
101.02415	0.1
108.02181	1.9
108.08192	3.7
109.02940	0.7
112.29904	0.2
120.08150	0.2
121.02956	9.0
122.03760	3.1
123.00900	0.6
123.04536	0.3
124.01663	0.5
129.10368	0.2
130.05133	0.3
130.08752	1.6
131.09073	0.4
133.02942	0.2
134.03757	1.1
135.04535	0.5
136.01660	80.6
137.02284	3.1
138.02913	0.2
147.04500	0.3
149.06097	0.4
150.03162	0.2
151.04007	100.0
152.04356	4.9
152.07161	3.1
154.02695	0.5
159.04480	0.9
160.05272	1.3
161.02414	0.6
161.05991	0.2
162.03226	1.5
163.04016	1.3
166.08737	0.6
175.03960	0.7
175.07617	1.3
176.04739	0.5
177.05576	1.2
179.03453	0.6
187.04054	0.5
188.04765	0.3
189.05521	0.6
190.06271	0.3
193.05046	0.2
194.08270	0.4
196.06146	2.0
199.18086	0.2
200.18539	0.3
201.11221	0.2
203.07124	0.3
238.07266	0.4
241.05157	0.3
256.07520	0.2
267.06628	0.2
291.14865	0.2
296.10605	0.3
298.09262	0.2
311.12778	0.7
313.26733	0.2
342.11081	4.1
343.11426	0.7
354.08575	0.2
356.67105	0.2
357.13412	18.4
357.25714	1.4
358.13776	2.3
358.18613	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16839	0.9
58.00592	1.9
58.02975	1.1
59.01380	35.0
60.01714	1.3
61.98834	2.5
67.72724	0.9
70.66314	2.4
71.01384	24.3
72.99305	1.9
73.02934	1.0
73.04076	1.8
73.92599	0.8
77.00612	1.0
82.02985	1.6
82.06629	0.9
83.01399	1.2
84.04480	0.9
85.02954	3.7
87.05671	1.2
88.04049	7.6
89.02448	21.0
95.01416	0.8
99.82850	0.9
100.04048	1.7
101.02451	13.9
101.07210	1.2
106.54745	0.9
113.02460	7.7
114.05608	2.6
115.00375	2.7
115.08775	3.2
116.07178	23.4
119.03513	7.9
122.09685	1.5
123.04557	1.0
126.05602	3.1
127.05128	2.9
129.10352	6.0
130.08742	30.2
130.09689	1.8
131.08975	1.1
132.03046	1.1
134.03763	1.2
135.04434	1.0
136.01642	2.4
136.05325	1.4
140.07176	2.0
143.03484	1.1
145.06194	2.7
151.03992	4.1
152.07111	1.2
155.08287	0.9
155.12061	1.1
161.02438	2.7
162.03230	71.1
163.03793	4.7
165.10391	1.0
166.08687	7.3
168.14008	1.2
177.05571	100.0
178.05923	8.0
179.05675	1.1
180.10249	4.0
182.12958	1.8
183.11401	3.1
185.16597	17.4
195.06648	11.9
195.14993	1.0
196.14580	2.2
197.13103	1.5
209.09320	2.1
210.07739	1.6
226.64453	1.0
227.10417	2.0
229.15593	2.7
240.13510	3.3
241.11914	1.2
242.18741	8.9
243.17122	1.6
245.63669	0.8
266.41824	0.8
296.19803	2.7
314.21008	1.3
340.18893	6.2
357.14056	1.7
357.21454	39.0
358.19748	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.135
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	2.9
58.08702	0.9
59.01378	100.0
60.01725	1.3
64.07669	0.8
70.07682	0.8
70.14655	2.8
71.01382	10.6
73.02936	1.7
73.04054	1.1
77.22723	0.8
83.01407	1.1
85.02959	3.2
89.02445	7.3
92.37264	0.9
101.02450	5.1
113.02457	2.5
114.09189	0.9
119.03511	1.4
128.10811	0.9
128.43343	0.9
130.08759	5.0
139.07643	2.7
143.11905	1.7
157.03081	0.9
161.04550	3.2
186.11375	4.2
194.34880	0.9
195.18172	0.9
283.56500	1.0
357.21423	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	356.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
74.36516	4.9
82.54676	4.7
98.19878	16.1
99.58930	5.7
121.03007	11.0
130.35507	5.0
144.41425	4.8
229.52083	4.9
239.32057	5.5
273.75513	5.2
344.18750	4.9
357.20496	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	356.2556
Annotation	Ile Ile Leu
Peak:m/z	Relative Intensity
59.01378	1.5
69.54718	3.6
71.01395	0.8
78.47253	0.5
80.05054	1.0
81.03459	0.9
81.05270	0.5
81.07094	1.1
82.06627	2.4
83.05009	2.6
84.08188	0.6
97.06555	0.7
98.19898	1.1
112.07680	1.5
114.09238	1.3
119.05121	0.5
122.54696	0.6
129.10344	10.3
130.08742	100.0
131.09076	3.5
139.08733	1.2
141.10324	0.6
143.10791	0.7
143.11920	0.7
145.05110	0.8
150.05588	0.6
151.07657	1.6
171.10260	0.7
182.15508	1.3
195.06665	5.1
195.15030	4.0
197.16527	3.7
199.16258	1.0
199.18155	18.6
200.18504	1.1
203.07037	0.7
225.16083	13.3
226.16490	1.3
243.17142	1.6
256.20154	0.7
267.80551	0.5
287.18521	1.0
312.26541	11.2
313.26929	0.8
314.81995	0.6
356.25522	87.3
357.25848	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	355.2279
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
59.01360	1.8
70.28859	4.1
70.29200	1.2
76.28658	1.0
85.02925	2.6
87.19464	1.2
109.02936	1.7
122.03735	9.9
135.04527	26.7
136.01669	2.1
136.04828	1.6
147.08145	2.9
149.06071	2.4
149.09705	8.6
151.07600	3.5
154.02721	1.5
155.10696	1.2
161.09721	9.6
162.09988	1.4
163.07602	4.5
163.11287	54.0
164.08403	17.9
164.11571	3.5
165.09171	6.6
177.09196	70.3
178.09953	24.1
179.10767	92.4
180.11105	6.1
183.10225	1.7
187.11255	1.6
191.10767	15.2
193.08690	8.7
265.12274	1.4
273.34821	1.1
279.14090	1.5
280.14731	3.6
298.15726	60.3
299.16135	6.9
322.19199	1.4
337.21710	49.4
338.21979	6.7
340.20392	85.8
341.20734	12.7
355.22745	100.0
356.23132	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.3216
Annotation	2-Hydroxydocosanoic acid
Peak:m/z	Relative Intensity
58.52996	1.5
62.42921	1.2
64.04395	1.3
65.72148	1.1
71.01432	3.6
72.06185	1.3
77.16748	1.3
77.26955	1.3
77.94392	1.2
106.23013	1.3
195.31308	1.5
201.00018	1.5
307.29959	4.3
309.31619	55.2
310.31967	7.9
337.31107	1.9
355.32141	100.0
356.32446	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0986
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
55.63204	0.3
59.01374	2.9
64.63423	0.3
71.01378	1.6
71.02772	0.9
73.02955	0.4
81.03441	0.7
83.05021	1.8
85.02944	1.4
89.02462	0.4
90.09995	0.4
95.01367	0.5
101.02419	0.4
103.85725	0.4
104.05096	0.5
106.06623	100.0
107.06356	0.6
107.06969	4.3
108.08204	0.8
113.02451	1.5
118.06612	3.3
120.08196	0.9
129.10373	1.2
130.08730	11.9
130.09680	0.7
134.06119	0.5
135.04523	0.7
145.05074	0.8
146.06155	1.3
150.05602	76.5
151.05972	4.0
156.42665	0.4
162.05669	0.5
164.07156	13.2
165.07579	0.7
176.21201	0.4
192.06665	8.6
193.07043	0.5
194.04568	12.6
195.04985	0.6
197.16466	0.6
199.18149	2.4
225.16125	1.3
236.05585	1.6
255.13579	0.4
296.07864	1.6
312.26535	1.2
356.09821	4.8
356.21231	0.7
356.25464	8.6
357.25681	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1036
Annotation	Juglanoside D
Peak:m/z	Relative Intensity
58.69381	0.9
59.01371	4.8
61.98800	1.0
66.82088	0.8
67.66285	0.8
69.16119	10.1
71.01382	2.2
85.02962	2.2
93.03499	1.1
95.01367	1.1
109.01700	1.4
113.02453	1.8
119.05013	1.0
132.02184	4.0
133.02917	1.8
133.61937	1.0
134.03741	61.7
135.04112	2.1
137.02429	7.6
139.04047	2.3
149.06065	15.2
152.99568	1.0
160.01663	21.9
161.02037	1.5
175.03983	31.9
176.04387	2.3
177.01971	1.6
178.02711	32.2
179.03036	1.7
191.05602	4.5
192.05966	3.7
193.05016	100.0
194.05338	7.0
210.07748	1.8
217.04953	1.4
219.12347	1.2
235.06236	1.8
355.10516	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	355.1034
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
55.28381	0.4
59.01378	9.9
59.85613	0.4
61.98836	0.9
68.99476	0.4
69.55017	2.8
70.90691	0.4
71.01378	4.2
72.99325	0.9
74.02445	0.6
76.60280	0.4
83.43165	0.4
85.02944	2.6
89.02438	3.5
93.03483	0.6
101.02449	1.8
104.02751	0.4
113.02444	1.3
114.05602	0.8
117.03477	0.6
119.03477	1.0
127.05090	0.5
129.01947	0.5
130.08742	0.7
131.30164	0.4
132.02171	15.7
132.03195	0.8
134.03745	9.1
137.09682	0.5
147.04486	1.0
149.06093	1.9
152.99394	0.5
160.01657	71.8
161.01971	4.2
161.04790	0.5
161.82681	0.6
174.03180	0.8
175.03996	100.0
176.04364	6.6
178.02718	0.6
191.07169	2.6
192.99709	0.5
193.03345	1.0
193.05037	16.4
194.05449	0.6
202.02718	1.0
207.06630	0.8
217.05046	5.7
235.06058	2.8
241.11845	0.6
295.08075	1.3
306.18121	0.4
311.40262	0.5
350.66675	0.5
355.10422	4.9
356.10428	0.6
356.22009	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81213	0.9
59.01394	2.2
68.01412	2.3
70.02979	3.1
71.01376	3.3
73.02954	0.9
78.25552	0.8
78.95908	1.8
85.02950	1.3
86.02477	3.8
86.36798	0.8
88.98791	1.6
99.00890	2.2
113.01192	2.1
114.01974	99.2
115.00409	1.5
115.02330	2.3
124.04035	6.3
126.01942	1.8
130.08727	3.8
138.02087	1.2
164.89009	1.0
173.04593	1.1
174.04016	9.7
179.10870	2.1
180.03745	0.9
191.05620	8.9
192.05952	8.4
192.13902	5.7
196.13361	1.8
221.11534	1.3
223.10895	1.1
232.57004	1.1
236.12941	1.1
265.00992	0.9
265.10440	1.9
276.12558	2.0
283.10431	1.3
294.13492	34.2
295.13760	2.5
346.07867	1.2
354.15594	100.0
354.85764	0.9
355.15851	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	354.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	2.9
61.98830	100.0
69.83666	2.3
69.84097	4.2
89.05949	1.1
93.03431	1.4
103.72529	1.3
121.37223	1.2
130.08720	1.9
173.04488	1.3
191.05646	3.1
191.75583	1.1
215.60597	1.0
221.78874	1.0
224.10966	1.1
231.49265	1.4
318.93323	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68294	2.1
59.01379	29.1
61.98832	100.0
69.35476	2.4
70.71159	8.8
71.01379	13.1
78.95882	2.7
85.02957	10.9
95.93051	2.7
101.02456	9.3
108.57842	2.7
113.02454	7.1
114.05598	7.2
134.03758	15.2
137.02419	2.9
149.06035	3.0
173.04584	3.4
178.02699	8.0
180.03796	2.5
191.05573	5.2
192.05997	4.5
193.05054	21.5
202.42348	2.7
221.10246	5.3
222.10681	11.9
311.02597	2.8
333.10895	2.5
333.15424	2.7
354.10980	5.3
354.14856	5.3
355.10623	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	353.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85551	1.8
57.03432	2.1
59.01381	31.0
59.87936	1.7
70.07977	6.0
70.08319	3.0
73.14139	1.9
98.20448	4.6
101.53089	2.1
125.09719	3.6
137.09683	7.0
153.12814	4.6
183.01161	5.6
189.45441	1.8
191.05586	6.7
199.13335	4.7
249.22198	4.4
293.21219	100.0
294.21484	12.0
311.22260	35.0
312.22556	4.5
335.22281	25.6
353.17847	8.1
353.23209	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90973	2.8
55.69253	2.7
59.01379	22.4
71.54443	5.0
75.19704	2.7
80.91680	5.2
98.03678	3.9
101.03204	2.7
125.09778	3.6
137.28967	3.0
139.11313	19.7
140.47328	2.6
151.11259	6.6
165.61647	2.7
169.12332	13.9
177.12802	2.7
183.01265	16.4
183.10229	15.8
191.05557	12.1
195.13928	4.8
199.13394	5.2
201.11308	3.3
237.14886	22.9
238.15303	2.8
255.16061	20.1
255.19669	4.9
293.21216	73.1
294.21527	7.4
298.92648	3.0
311.22272	100.0
312.22546	11.1
335.22278	26.9
336.22614	2.8
352.96042	8.5
353.17905	28.8
353.23199	18.8
354.18222	4.0
354.23395	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	353.212
Annotation	Guayulin B
Peak:m/z	Relative Intensity
59.01366	0.4
71.02064	0.7
79.50289	0.3
79.95724	1.0
80.96508	0.5
81.80733	0.3
88.43574	0.3
92.82468	0.3
96.96017	6.2
98.20573	0.3
120.91399	0.3
147.08165	0.6
161.06090	0.3
163.11287	100.0
164.11600	6.4
177.09207	75.3
178.09563	5.9
201.83923	0.3
202.95224	0.3
222.08897	0.6
277.99689	0.4
353.21179	99.3
354.21530	15.4
372.35809	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28804	0.8
59.01381	27.1
69.20570	2.1
69.20992	6.7
78.90421	0.9
81.26971	0.9
123.49786	0.8
125.09718	3.6
137.09738	4.8
139.11253	2.2
153.12842	4.7
155.14476	1.1
163.11267	1.1
165.12827	1.8
165.61755	0.9
183.01241	2.2
185.11841	1.7
191.05663	1.8
199.09705	1.2
199.13391	2.2
215.12885	2.8
249.22289	3.3
265.21790	2.9
275.20184	1.4
291.23221	2.5
293.21228	100.0
294.21545	11.4
311.22287	35.9
312.22513	5.7
335.22247	21.8
335.26224	1.4
336.22507	2.8
353.17999	3.1
353.23337	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	353.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.3
57.03437	1.9
58.00577	1.3
59.01378	23.3
61.98823	2.5
71.01379	33.9
72.01709	0.7
72.99309	1.3
73.02946	15.0
73.70608	0.7
81.03452	0.7
83.01389	6.8
85.02946	18.7
86.00097	1.0
87.00868	2.7
89.02457	5.7
89.47263	0.6
91.76271	0.6
93.03465	1.0
95.01389	2.0
97.02950	1.3
99.00879	5.4
101.02442	33.6
102.02784	1.2
113.02451	15.4
114.02744	0.7
119.03501	0.7
125.02458	1.2
129.01877	0.8
131.03444	0.9
135.04549	3.5
143.03493	1.9
159.02986	2.0
161.02432	0.7
161.04544	13.7
161.60747	0.6
169.19362	0.6
173.04518	2.2
176.01128	0.9
179.03537	3.2
183.51886	0.6
191.05605	19.8
191.07333	1.0
193.30600	0.6
215.75946	0.6
221.10291	100.0
222.10585	6.6
248.89967	0.7
265.09167	1.0
353.09369	1.5
353.14481	13.1
354.10706	1.0
354.14822	1.1
368.14429	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1763
Annotation	Platyphylline N-oxide
Peak:m/z	Relative Intensity
58.02976	3.0
59.01372	0.7
66.94391	0.4
69.98724	2.2
79.57095	0.5
81.03470	1.6
83.42635	0.5
85.02933	0.8
95.05033	1.6
97.06569	0.6
109.06594	0.7
110.09756	0.6
112.16627	0.5
122.38745	0.5
123.04558	0.5
128.10811	8.8
130.08734	100.0
131.09100	3.2
135.08162	2.1
154.08818	2.6
154.09938	0.5
156.06512	0.5
172.09784	3.6
177.09242	1.1
179.07121	1.0
181.08646	0.9
208.11302	0.5
240.66393	0.5
246.18594	1.9
255.42268	0.5
290.17667	2.5
308.18634	12.7
309.18933	1.5
334.16562	5.4
352.17618	31.5
353.17908	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	353.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56472	0.9
58.89281	0.9
59.01384	6.3
61.03968	0.8
61.98819	1.2
67.01897	4.7
69.03455	2.3
69.37982	7.0
71.01377	4.8
71.44659	0.8
80.73671	0.8
81.03465	1.4
83.04998	1.3
85.02954	10.7
87.00872	2.9
93.03462	29.2
94.03828	1.1
98.20622	1.8
109.02994	2.0
111.00897	1.1
111.04523	4.4
127.04015	2.1
127.05139	1.7
128.44408	0.7
133.02945	1.9
134.03743	4.6
135.04530	77.5
136.04849	3.6
137.02463	3.8
145.06206	2.7
155.03506	4.8
161.02420	5.9
173.04547	100.0
174.04866	4.5
179.03497	67.4
180.03769	4.4
191.05608	57.5
192.05901	2.0
302.65079	0.8
353.08871	10.8
353.13141	1.7
353.17099	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	353.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.2
61.98828	0.4
69.03466	0.4
69.41824	0.4
69.42229	2.2
71.01393	0.8
71.07978	0.3
80.13467	0.3
81.03483	0.4
81.40679	0.3
83.05039	0.4
85.02948	7.4
87.00867	2.1
93.03471	3.3
109.02950	0.7
111.04523	1.3
118.65686	0.3
126.19913	0.3
127.04017	1.7
131.51994	0.3
133.02922	0.3
135.04527	1.3
161.02480	2.3
171.02925	0.6
173.04506	2.0
179.03543	0.7
191.05608	100.0
192.05946	4.5
353.08630	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67775	0.5
55.01871	2.6
57.03449	3.0
58.00602	1.2
59.01379	21.3
61.98832	0.7
63.12270	0.6
69.03452	0.7
70.28395	1.0
70.28725	0.7
71.01383	30.8
72.99306	1.5
73.02948	12.6
74.02491	0.8
75.00878	0.9
83.01376	7.5
85.02953	17.4
86.00076	0.8
86.03268	0.8
87.00877	1.5
89.02447	3.7
93.03439	0.9
95.01398	1.9
97.02959	0.7
99.00887	6.2
100.27464	0.6
101.02443	33.4
102.02804	1.1
111.00918	1.3
113.02450	13.4
119.03469	0.6
125.02441	1.4
129.01962	0.9
131.03542	0.6
131.07158	2.2
135.04506	1.8
143.03491	1.7
148.59100	0.5
154.05119	0.6
157.72820	0.5
159.02986	3.0
161.02473	0.8
161.04558	12.2
162.56804	0.5
173.04584	2.8
179.03477	1.6
191.05608	14.6
205.03543	0.6
221.10292	100.0
222.10638	5.9
226.79800	0.5
265.09006	0.6
309.12735	0.8
353.14517	9.3
354.15134	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2538
Annotation	9,11-methane-epoxy PGF1alpha
Peak:m/z	Relative Intensity
59.01374	4.0
70.03866	3.8
75.00874	4.6
85.06577	3.6
128.40543	0.9
157.51221	0.8
205.51346	0.9
221.19095	2.8
231.10251	0.9
237.18776	1.4
247.17044	1.2
265.18069	18.6
265.44501	1.0
266.18488	2.5
321.24393	1.3
333.24310	4.2
351.25403	100.0
352.25702	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	351.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.8
69.34898	2.7
96.95959	0.6
123.04497	1.0
137.06068	0.8
165.09204	1.7
186.35487	0.3
217.15898	1.0
221.15329	0.5
235.16945	0.3
245.19063	1.5
263.16519	0.5
265.18069	0.4
279.19562	0.5
289.25290	2.5
307.26385	0.6
315.23108	0.8
333.24335	100.0
334.24667	14.8
351.21011	0.9
351.25381	18.1
352.25757	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	351.2176
Annotation	Sterebin C
Peak:m/z	Relative Intensity
56.53214	2.1
57.03445	3.1
59.01382	50.3
60.32026	2.0
67.02695	2.0
69.42726	5.3
69.43144	11.2
78.91888	3.9
81.10435	2.4
107.08645	8.8
125.09745	5.2
135.08141	2.4
137.09731	5.8
139.11272	4.4
151.11293	5.9
163.11290	3.2
197.11838	2.2
201.11397	3.6
215.12805	3.4
247.20699	4.4
257.01617	2.3
263.20139	3.8
273.18533	3.5
289.21646	5.3
291.19675	100.0
292.19974	12.3
309.20734	37.0
310.21063	3.2
315.20035	2.7
333.20731	23.5
334.20889	3.5
351.21829	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	351.2177
Annotation	Sterebin C
Peak:m/z	Relative Intensity
52.73711	1.0
57.03445	3.2
57.66990	1.0
59.01382	37.0
63.54356	1.0
64.52810	1.1
70.82142	1.6
70.82493	2.3
78.91887	11.4
83.05035	1.7
107.08663	5.9
115.62797	1.3
125.09732	3.6
135.08195	1.9
137.09718	3.6
139.11293	4.7
151.11264	4.1
153.12860	1.6
163.11244	1.6
168.50021	1.1
185.11806	2.4
197.82343	1.2
199.09671	2.3
199.13335	4.4
201.11209	1.1
213.11244	1.1
215.12848	3.3
247.20729	6.3
263.20108	3.0
273.18704	3.6
289.21683	3.6
291.19653	100.0
292.20032	11.3
303.12704	1.1
309.20694	30.8
310.21039	4.7
333.20740	21.5
334.21219	3.5
342.53885	1.2
350.96481	18.2
351.21603	5.6
351.96884	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	351.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50571	0.7
59.01380	100.0
60.01715	1.3
61.98821	2.1
71.01393	8.8
71.53439	0.8
72.01706	1.1
72.27282	0.8
73.02960	1.1
81.38287	0.9
83.01388	1.1
85.02959	3.9
87.00868	2.0
89.02444	5.9
93.03436	3.2
101.02451	5.7
105.03495	1.1
109.02947	0.9
111.04485	0.8
113.02448	3.3
119.03507	1.6
133.02968	4.3
134.05057	0.8
135.04485	1.2
142.06586	2.7
143.06927	2.5
147.06375	0.9
152.39320	0.9
161.04552	5.1
170.06064	1.9
171.06433	2.6
173.04567	3.5
177.01923	1.6
191.05592	5.0
215.05582	2.1
242.88870	0.8
291.14468	5.6
316.10385	1.1
351.07101	1.8
351.16699	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50886	0.9
55.01876	0.9
57.03439	1.6
58.00552	0.9
58.23177	0.7
59.01381	19.1
61.98810	1.7
67.01878	1.9
71.01379	18.1
72.99323	4.3
73.02938	2.3
74.59787	1.0
75.00869	14.7
83.01401	1.0
85.02951	20.1
87.00863	8.3
89.02467	4.0
91.18542	0.8
93.03459	6.1
95.01369	3.6
95.04945	1.0
99.00878	8.6
99.37447	0.8
100.64633	0.8
101.02422	3.4
101.06077	100.0
102.06405	2.9
103.00365	1.4
105.03462	1.0
109.02934	1.8
111.04469	1.3
113.02446	22.2
115.00383	2.0
115.03972	1.0
116.04709	0.8
117.01901	2.6
118.87460	1.0
123.73552	1.0
129.01942	1.8
133.02948	5.6
135.04477	3.1
150.03183	0.9
161.02446	1.1
161.04581	1.2
164.07146	2.3
173.04539	7.3
175.02451	2.8
177.01909	2.8
179.03401	1.5
191.05609	18.2
215.05620	1.5
231.05058	2.5
249.06136	15.4
250.06456	0.9
267.07135	1.3
289.12149	1.4
291.10645	1.0
312.25143	0.9
321.16302	1.7
333.11807	2.0
339.05045	3.2
351.12906	64.6
351.16510	3.9
351.20328	2.1
352.06921	1.7
352.13321	5.7
357.48734	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34950	0.7
55.01876	1.4
57.03447	2.0
59.01379	26.0
61.98827	6.5
67.01881	1.7
71.01382	18.3
71.53062	1.2
72.99310	4.4
73.02950	1.9
75.00871	15.5
85.02958	18.8
87.00876	7.8
89.02447	6.5
93.03452	3.5
94.88712	0.7
95.01382	5.8
99.00884	10.1
99.04512	1.0
101.02466	2.0
101.06084	100.0
102.06425	2.4
103.00385	2.2
109.02953	1.1
111.04529	1.0
112.20358	0.9
113.01720	1.6
113.02457	24.8
115.00356	3.1
117.01929	2.9
117.65105	0.8
118.93909	0.8
129.01924	1.9
131.03558	1.0
133.02956	4.4
135.04533	1.2
157.01375	1.3
161.02390	0.8
164.06969	0.9
167.78535	0.7
173.04509	3.9
175.02524	2.5
177.01830	2.2
182.21581	0.8
184.09531	0.7
191.05595	6.6
203.08160	1.2
205.07100	1.5
231.05159	0.8
249.06107	5.6
267.07239	4.2
291.14285	1.0
333.11694	2.5
351.12924	77.6
351.16342	4.0
352.13290	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	351.1215
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	5.0
59.01372	21.1
61.17870	4.7
61.87302	4.2
61.98837	14.3
67.01881	8.9
69.67517	32.3
71.01376	12.9
85.02954	16.2
87.00850	11.7
89.02448	7.8
93.03466	37.6
100.91624	5.3
101.02437	10.6
107.64588	4.5
109.02954	7.7
111.04552	11.5
113.02472	7.1
117.90048	4.9
119.85054	5.0
125.86244	5.2
133.02914	39.8
135.04549	11.9
147.04500	5.8
161.02420	7.4
161.04428	6.2
164.07120	17.2
173.04567	45.5
177.01904	20.4
179.03496	12.4
191.05608	100.0
215.05641	12.1
224.01993	9.4
230.13187	5.2
289.11984	5.8
295.06256	5.1
303.20871	6.1
333.10983	6.4
339.05154	30.6
351.07022	10.0
351.17175	9.9
352.06955	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	350.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01186	7.5
59.01384	59.9
61.98815	24.6
70.49965	17.8
71.01373	35.2
85.02963	9.8
87.00861	12.1
88.04042	14.9
89.02415	25.8
93.03452	12.0
101.02435	29.0
113.02428	16.9
119.03478	15.5
133.02916	11.2
142.06575	38.6
170.06104	34.8
173.04530	16.6
177.01799	9.2
188.13655	22.5
191.05635	14.1
287.15103	9.5
349.63474	9.7
350.19138	100.0
351.19391	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	350.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	65.4
61.79459	8.5
61.98827	100.0
62.31208	9.3
71.51923	10.7
84.93229	8.8
97.02949	12.6
97.75866	9.8
119.12141	8.9
127.74649	10.1
149.09735	9.0
237.14929	40.3
255.16003	41.4
291.19641	87.1
307.22827	10.9
309.20917	43.7
324.36896	10.2
333.20749	25.4
351.08224	9.3
351.21890	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	350.125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16927	1.2
59.01379	100.0
60.01721	2.3
60.17163	1.1
61.98821	2.9
71.01009	2.3
71.01384	41.0
71.37440	2.5
72.99297	3.4
73.02947	1.9
73.07167	1.1
75.00897	1.6
75.99434	1.2
78.36059	1.1
85.02959	9.8
87.00870	4.3
87.05622	1.9
89.02444	47.0
93.03465	3.1
95.01386	3.1
96.00934	2.6
98.02442	2.4
99.00869	1.7
99.04537	6.5
100.04816	2.5
101.02441	23.4
109.02945	1.4
113.02454	16.7
113.03572	3.6
119.03496	18.5
124.04034	3.4
128.04991	1.5
131.03525	1.6
133.02940	4.5
135.04649	1.3
140.35539	1.5
142.06627	80.6
143.03442	2.3
143.06927	4.5
146.06108	3.2
158.06117	3.8
160.07651	1.8
161.04573	3.2
164.07129	3.2
170.06125	75.3
171.06422	4.3
173.04523	3.7
177.01860	1.6
179.05609	3.4
188.07170	2.3
191.05591	3.0
215.05624	2.2
215.32758	1.3
246.04305	1.4
315.09854	12.2
316.10168	2.3
332.12561	4.1
350.11810	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	350.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.9
57.09026	1.2
58.00589	3.3
59.01381	64.1
60.01713	1.9
61.98832	2.8
67.60676	1.3
69.89478	4.4
71.01385	45.9
72.01698	1.6
72.99315	4.3
73.02963	1.6
85.02966	9.4
87.00875	3.6
89.02447	50.2
90.02755	1.6
93.03458	2.6
95.01409	1.8
99.00917	1.3
101.02444	26.7
113.02435	16.2
116.05080	1.8
119.03513	23.4
119.04974	1.7
128.05167	1.7
131.03497	2.4
133.02943	2.8
140.44154	1.4
142.06619	100.0
143.03505	2.6
143.06952	6.5
145.02985	5.3
146.06139	4.8
149.04591	1.8
158.06097	1.9
160.07635	3.0
161.04594	2.9
163.04019	1.7
170.06117	85.4
171.06441	5.7
173.04507	1.5
179.05594	4.0
188.07216	3.2
192.06592	3.5
211.81136	1.3
245.12198	3.0
251.52271	1.2
275.10498	1.9
309.13486	4.7
350.12955	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	349.1868
Annotation	Rhodioloside D
Peak:m/z	Relative Intensity
55.01870	2.2
57.03448	2.6
58.00602	3.3
59.01381	94.2
60.01704	0.9
65.23632	0.7
69.54523	3.8
70.69335	0.7
71.01383	52.1
72.01728	1.2
72.99313	2.8
73.02950	3.3
83.01389	2.9
85.02953	11.1
87.00881	3.2
89.02448	41.9
89.27370	0.6
90.02769	1.1
90.53901	0.6
92.17825	0.8
95.01384	4.0
98.20669	1.5
99.00892	1.4
99.08118	0.7
101.02441	35.0
111.65836	0.8
113.02456	18.3
114.02783	0.9
117.46359	0.7
119.03503	20.4
131.03488	1.0
141.09224	1.4
141.12842	1.7
143.03506	2.4
147.35992	0.7
149.04524	1.2
161.04547	4.6
169.12340	15.4
170.12590	0.9
174.96153	0.6
179.05608	1.9
187.13362	5.5
210.84970	0.6
347.79980	0.9
349.18661	100.0
350.18991	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	349.1868
Annotation	6,7-Dihydroxydihydrolinalool 3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
52.78140	0.6
57.29533	0.7
58.00583	1.6
59.01379	39.5
69.20979	6.7
71.01380	19.4
72.99310	6.0
73.02937	0.8
75.00896	0.8
83.01379	1.8
85.02946	4.2
87.00874	1.8
89.01931	1.2
89.02444	13.6
94.73289	0.6
95.01379	2.0
101.02438	14.6
102.02769	0.6
109.79688	0.7
113.02446	5.4
119.03485	6.7
139.11295	1.3
141.12857	29.6
142.13168	1.8
145.02936	1.0
155.14348	0.7
163.04025	1.4
169.12344	5.2
171.13945	1.1
183.13858	2.3
187.13388	59.4
188.13750	4.3
190.84695	0.7
209.88930	0.6
229.14473	1.6
313.20111	1.2
349.18637	100.0
350.18948	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	349.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01542	0.8
59.01380	100.0
63.25116	0.8
68.82691	0.9
71.01388	1.2
72.48449	0.8
73.02943	0.9
85.02937	2.4
94.82653	0.8
98.19922	1.9
101.02452	2.1
107.60345	1.0
113.02431	2.1
119.05057	1.5
120.99646	1.2
161.04596	2.3
163.04094	0.9
171.41928	0.8
279.05249	0.9
280.06140	1.2
289.16531	1.9
350.10199	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	349.1865
Annotation	6,7-Dihydroxydihydrolinalool 7-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01864	1.8
57.03439	1.3
58.00591	1.2
59.01377	13.1
65.88402	0.5
67.58137	0.6
69.03458	0.6
71.01014	0.9
71.01380	14.0
71.08328	0.5
71.53220	0.7
72.01718	0.7
72.99288	1.5
73.02945	3.9
83.01382	3.3
84.61261	0.6
85.02950	5.3
86.00124	0.6
87.00881	1.4
89.02427	2.4
95.01364	1.6
96.95988	0.6
99.00877	1.2
101.02441	8.2
111.00883	1.2
113.02443	3.2
119.03543	0.6
122.43736	0.5
125.02475	0.6
140.34810	0.5
141.09267	0.6
141.12863	1.5
150.09750	0.6
151.05045	0.6
151.71075	0.6
157.29471	0.5
161.04591	1.3
169.12331	0.9
187.13377	35.9
188.13718	1.9
330.33710	0.6
331.17584	2.3
339.68323	0.6
349.18640	100.0
350.19037	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	349.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29115	0.8
59.01380	9.6
61.98825	6.7
70.35378	3.1
71.01390	4.8
71.50800	0.8
71.82613	0.8
72.99294	1.6
74.02439	1.9
75.00876	2.0
82.02972	1.7
84.04546	1.2
85.02948	3.3
86.02475	17.3
87.00864	1.8
87.02740	2.3
88.04010	1.3
89.02475	2.3
95.01380	1.1
99.00889	1.7
99.04511	12.1
101.02457	1.8
109.07679	1.0
113.02448	4.0
123.78619	0.9
127.05116	2.9
127.08777	11.5
128.03542	100.0
129.03897	3.2
131.05371	1.3
133.06934	78.3
134.07288	1.9
153.06725	5.0
171.07753	42.5
172.08057	2.0
179.04599	1.2
180.06595	1.0
189.06581	1.1
215.06723	4.6
220.10123	9.7
241.08992	0.9
249.06175	3.4
260.03674	1.0
261.08749	1.6
274.20132	0.9
331.13287	2.9
349.11203	5.4
349.15009	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	349.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.9
59.01382	23.9
61.98834	15.0
67.99486	0.9
69.37109	1.2
69.37511	7.0
71.01385	18.3
72.99300	6.4
75.00474	1.2
75.00874	18.9
78.85243	1.1
85.02957	20.9
87.00885	7.3
89.02443	5.1
93.03471	1.0
95.01368	4.8
96.96051	1.0
98.19948	2.3
99.00878	10.4
99.04521	100.0
100.04877	2.6
101.02472	2.6
103.00364	2.8
111.00887	1.3
113.02448	21.7
115.00362	2.0
117.01920	2.9
119.03469	1.8
128.03526	7.8
129.01932	1.7
133.06917	4.0
136.04077	1.5
143.04678	1.8
161.04442	1.2
171.07693	3.2
175.02502	1.8
180.03065	2.2
193.03328	1.1
219.23912	0.9
231.05060	3.1
249.06140	27.7
267.07120	3.3
268.07578	1.2
331.10117	2.7
349.11316	51.4
349.14700	3.3
350.11554	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	349.1139
Annotation	Prodiamine
Peak:m/z	Relative Intensity
55.01872	1.2
56.27724	1.0
57.03444	2.6
59.01379	22.4
61.98825	4.0
67.01877	1.1
68.99814	1.2
69.64337	6.1
71.01379	20.2
72.99307	5.5
73.02934	2.5
75.00872	18.9
83.01383	1.2
84.04528	1.3
85.02951	18.9
86.02477	4.3
86.71094	1.1
87.00874	7.1
88.03977	1.0
89.02436	6.6
95.01365	5.1
99.00887	10.5
99.04520	100.0
100.04841	3.6
103.00328	2.0
107.97337	1.1
111.00880	1.4
113.02445	25.9
114.02711	1.3
115.00354	2.1
117.01923	3.6
127.08771	3.4
128.03532	30.3
129.01958	2.2
133.06937	22.4
153.06668	1.9
171.07742	13.4
175.02438	2.8
179.87257	0.9
189.04053	1.1
189.06650	1.5
202.05086	2.6
214.49336	1.1
220.10144	2.6
231.05083	4.8
246.88263	1.0
249.06160	25.7
250.06363	1.8
267.07263	2.8
289.09335	1.5
308.65216	1.1
331.10129	2.6
341.12534	1.0
343.32761	1.3
349.11313	63.9
350.11890	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	348.9861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
61.98829	100.0
62.98526	0.2
63.99247	0.2
70.67079	0.3
88.76323	0.1
128.45230	0.1
147.96101	0.1
151.33498	0.1
162.98473	1.9
163.98584	0.1
164.96367	0.3
167.17758	0.1
203.99986	0.4
205.00122	0.4
205.99748	0.4
206.97440	72.0
207.97539	6.0
308.43069	0.1
348.98672	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.9859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09436	0.4
59.01373	3.5
61.98830	100.0
71.01378	0.8
71.17773	0.4
72.43499	0.4
78.95910	1.0
83.01396	0.4
83.13918	0.4
85.02931	0.6
96.96964	1.2
101.02411	0.7
126.98813	0.5
128.98662	0.6
135.95616	0.5
162.98462	2.1
164.96477	1.0
168.99925	0.6
184.97598	0.5
191.01778	0.5
191.05591	0.9
204.97731	0.9
205.00130	0.8
205.99767	1.5
206.97441	61.7
207.97575	5.1
286.08752	0.9
289.02383	1.1
349.08517	1.3
349.14941	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.9859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09436	0.4
59.01373	3.5
61.98830	100.0
71.01378	0.8
71.17773	0.4
72.43499	0.4
78.95910	1.0
83.01396	0.4
83.13918	0.4
85.02931	0.6
96.96964	1.2
101.02411	0.7
126.98813	0.5
128.98662	0.6
135.95616	0.5
162.98462	2.1
164.96477	1.0
168.99925	0.6
184.97598	0.5
191.01778	0.5
191.05591	0.9
204.97731	0.9
205.00130	0.8
205.99767	1.5
206.97441	61.7
207.97575	5.1
286.08752	0.9
289.02383	1.1
349.08517	1.3
349.14941	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	70.1
77.90340	20.1
98.20663	49.9
121.10201	23.5
143.07129	77.3
229.38608	23.9
247.17000	100.0
265.18124	64.5
303.05667	21.8
311.22229	87.5
347.18393	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	347.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38663	7.0
59.01368	8.3
69.59170	34.6
69.59586	15.4
71.01397	16.1
72.16482	7.1
126.19363	6.3
209.05841	20.6
238.06099	74.4
239.06833	49.4
270.05051	8.0
295.02393	8.2
309.20724	100.0
310.21048	9.6
311.22043	26.6
343.68439	7.8
347.16110	12.5
351.28876	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	347.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16988	18.3
59.01370	60.8
61.98814	22.7
63.51096	19.0
65.05521	17.1
71.53858	29.9
72.19300	18.3
84.85298	18.6
95.01712	19.9
95.05022	28.4
99.77084	23.2
101.02483	22.6
151.81421	25.1
218.94452	22.7
251.33965	22.0
256.47336	21.9
287.37271	19.6
291.19870	29.9
309.20642	60.6
311.22177	31.5
347.14706	28.7
347.18402	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99211	5.8
59.01382	38.3
59.68479	6.0
69.31462	44.6
69.31867	14.8
76.38401	6.3
80.57169	6.3
97.06579	17.1
98.19872	12.2
98.20557	17.9
121.10236	21.8
125.06139	8.1
129.26462	7.9
143.07156	74.3
149.25165	8.3
203.17995	11.8
247.17033	100.0
265.18057	66.2
287.16385	9.8
311.22205	10.0
343.52859	7.4
347.18546	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.0
60.01704	0.4
61.01815	0.2
61.98829	100.0
63.17148	0.2
65.15649	0.2
65.62614	0.2
67.84617	0.2
69.78970	1.0
82.97394	0.2
98.20631	0.4
136.93987	0.2
189.10658	0.2
201.02531	0.8
202.02679	2.0
203.02272	2.1
203.99986	45.5
205.00117	4.0
346.01175	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1712
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
50.42302	1.3
55.01867	7.9
57.03438	4.7
58.00590	2.4
59.01381	33.2
69.20614	3.5
69.21019	8.4
70.62261	1.6
71.01382	45.5
72.99305	1.9
73.02953	16.4
83.01390	11.8
85.02950	25.2
86.00108	1.4
87.00880	2.8
89.02441	9.6
95.01377	3.5
97.10430	1.3
99.00883	9.2
100.66644	1.1
101.02447	45.8
102.02801	1.6
111.00873	1.7
111.81988	1.3
113.02460	18.3
119.03517	3.2
125.02451	2.1
161.04585	10.5
167.10788	2.5
174.92699	1.4
176.67638	1.6
185.11797	5.7
303.18112	3.7
347.17096	100.0
348.17416	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	345.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.4
58.00591	0.7
59.01388	2.4
59.42352	0.4
69.03458	0.7
69.22257	4.1
71.01395	0.4
73.02937	0.7
83.05024	0.5
85.06584	0.4
96.04146	0.4
96.96014	1.1
97.06583	1.0
98.20674	0.7
100.65937	0.4
107.08717	0.4
113.09021	0.4
113.09718	2.2
113.78068	0.4
116.23549	0.4
120.56512	0.4
123.04498	0.6
123.08186	1.0
125.09731	5.9
126.09997	0.6
127.11299	5.9
128.11597	0.7
137.09705	1.3
139.11282	0.8
143.10754	1.7
153.09212	0.8
155.10800	3.5
157.12431	0.4
165.09239	1.9
167.10854	0.4
171.10269	42.5
172.10571	2.5
183.10217	1.3
185.11832	0.9
199.09750	1.7
201.11316	31.0
202.11684	1.9
213.11320	0.5
247.10716	0.7
248.11591	1.3
271.19037	0.7
273.18475	0.8
283.49985	0.4
290.65723	0.4
291.19708	0.5
309.20886	2.0
327.21677	1.8
345.22794	100.0
346.23114	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	345.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91553	1.5
55.01873	10.5
57.03444	9.6
58.00581	3.5
59.01073	1.7
59.01379	77.1
71.01381	99.5
71.05015	4.6
71.54914	1.8
72.99300	6.9
73.02943	34.4
80.03792	2.0
83.01384	19.4
85.02456	3.4
85.02948	52.5
86.00093	3.4
87.00879	4.3
89.02449	27.6
91.78275	1.6
95.01390	10.2
97.02884	2.1
99.00883	15.9
101.02441	100.0
103.74959	1.5
111.00864	3.8
113.02452	43.2
119.03508	10.4
123.04507	4.9
125.02458	2.8
129.01967	3.1
130.08813	2.0
131.87863	1.8
132.04570	2.3
143.03513	4.1
159.03032	9.1
161.04549	30.6
171.10228	5.4
176.03525	24.6
183.10272	1.9
184.04822	1.9
188.09396	2.2
201.11372	3.4
229.14430	5.6
231.10199	3.4
243.12405	3.9
247.10846	5.2
248.11745	14.5
283.10745	5.2
309.14514	1.7
345.15387	14.1
345.19006	17.5
345.22864	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	345.2281
Annotation	oscr#20
Peak:m/z	Relative Intensity
59.01382	100.0
71.01367	2.3
73.02950	4.3
83.05065	2.0
83.73705	1.8
93.60128	1.4
95.16919	1.4
96.05977	1.7
96.96037	7.3
98.19956	4.0
109.06586	4.6
111.08138	2.0
123.04508	7.1
127.07642	2.1
127.11308	7.0
130.03308	3.2
139.07646	7.0
139.11288	23.3
155.10748	4.1
159.10289	1.7
171.10254	2.1
183.13815	1.6
229.14519	5.0
285.91086	1.8
307.08820	1.7
327.21796	6.6
345.22821	90.8
346.23251	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	345.228
Annotation	oscr#20
Peak:m/z	Relative Intensity
52.71531	0.4
57.03434	1.4
59.01365	2.1
61.98812	1.8
69.03479	0.5
71.01368	1.2
71.05017	0.8
77.01199	0.5
83.05029	1.3
85.02982	0.5
85.06615	4.5
95.05034	0.9
96.96064	0.5
97.06586	0.9
98.20705	0.8
99.64526	0.5
101.02431	0.8
101.06154	0.7
108.89127	0.5
115.07660	3.9
123.04481	0.5
123.08149	0.9
125.09772	2.6
127.07677	0.7
127.11281	2.3
132.52827	0.5
135.04587	0.6
153.09195	0.7
155.10773	2.6
155.14340	0.7
165.12805	0.6
167.14417	1.4
171.10272	17.2
172.10593	0.9
173.11714	0.7
181.12436	0.6
183.13910	4.2
184.14264	0.6
193.12285	0.8
201.11304	0.7
211.13377	19.2
212.13754	1.7
229.14441	16.6
230.14752	1.8
247.10902	0.9
248.11691	1.0
327.21896	0.8
338.31702	0.5
345.22781	100.0
346.23056	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	345.1555
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
52.66530	1.2
53.16745	1.5
55.01850	4.4
57.03417	3.3
57.44551	1.2
58.00568	5.1
59.01377	100.0
60.01676	1.3
69.50362	6.3
69.50776	3.3
71.01379	67.5
72.99302	3.4
73.02943	9.8
74.02476	6.6
83.01379	7.4
85.02459	1.5
85.02939	17.6
87.00850	4.4
89.02439	54.3
95.01362	3.8
97.02914	1.9
99.00846	4.3
101.02436	52.2
102.02746	1.3
106.40388	1.3
108.04513	1.7
111.75807	1.3
113.02454	25.4
119.03501	27.8
121.10258	8.6
123.04528	2.0
131.03462	1.7
132.04465	1.6
135.04437	1.8
143.03444	1.8
149.04518	1.3
155.10783	1.5
159.02942	1.7
161.04518	5.5
165.04292	1.8
165.09125	1.7
171.10201	4.2
179.05653	1.8
181.12263	1.5
183.10245	3.4
195.44667	1.3
204.75154	1.4
225.11232	3.0
231.13345	1.7
243.12299	3.3
246.80270	1.4
257.12894	4.2
267.12180	1.5
285.13217	1.8
301.11874	3.3
345.10861	6.2
345.15405	76.5
345.22580	3.9
346.15735	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	345.1552
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
55.01867	3.8
57.03441	5.6
58.00579	3.3
59.01378	100.0
60.01720	2.0
63.40060	1.1
64.27412	1.0
69.03474	1.3
71.01379	70.8
71.52927	1.0
72.01717	1.5
72.99286	5.9
73.02946	11.7
81.03465	1.1
83.01376	8.2
85.02945	23.4
86.02481	2.9
87.00864	3.0
89.02444	48.0
95.01378	6.7
96.96019	3.3
99.00869	4.0
101.02438	58.1
102.02783	1.3
103.52069	1.2
108.04552	1.3
113.02454	24.9
116.07159	2.7
116.95215	1.1
119.03494	24.3
121.10248	11.3
123.04530	4.1
125.06149	1.2
129.70688	1.1
131.03496	2.4
139.07681	1.3
143.03477	2.0
161.04524	4.6
165.09183	4.7
169.12352	1.7
176.03523	19.2
183.10196	1.9
204.06686	1.3
225.68201	1.4
236.86113	1.1
240.10225	1.7
247.10822	4.2
248.11581	8.1
259.13651	10.7
283.11014	5.7
301.12051	2.1
327.09778	1.9
345.11075	3.7
345.15506	81.3
345.22699	5.3
346.16064	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	345.1191
Annotation	Iridoid glycoside
Peak:m/z	Relative Intensity
58.00600	2.0
59.01376	26.4
71.01388	18.6
71.30687	1.5
71.31007	1.1
73.02942	3.8
74.02472	1.2
78.30753	1.0
83.05015	1.3
85.02934	5.4
89.02451	11.9
95.01395	1.3
101.02461	7.0
111.00895	1.6
113.02456	8.5
119.03497	3.6
121.06599	3.0
121.10229	0.9
123.04514	3.1
130.08705	2.9
131.08258	10.8
131.09103	1.7
131.71437	1.0
134.76958	1.0
135.04575	1.4
135.17776	1.0
139.07651	100.0
140.08023	5.5
149.02490	1.1
153.09195	2.2
161.04547	1.4
163.07697	1.9
164.04832	1.2
165.05569	2.7
169.78371	0.9
174.08784	3.2
179.03320	1.6
179.05624	1.2
183.06619	50.5
184.06985	3.2
187.07617	1.2
195.84348	1.0
200.18396	1.1
225.07620	2.3
232.22897	1.0
257.12943	2.5
269.51703	1.0
301.19812	1.4
335.82318	1.0
345.15344	1.7
345.18820	1.6
345.22324	2.2
358.20190	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.119
Annotation	Iridoid glycoside
Peak:m/z	Relative Intensity
57.03449	2.0
59.01382	24.8
67.66275	0.7
69.36587	2.0
69.37000	5.6
71.01385	16.1
72.99301	1.1
73.02962	2.4
74.02508	0.8
83.01418	0.9
84.99408	0.8
85.02940	4.3
87.00859	0.8
89.02444	13.6
93.03463	1.0
95.01386	0.9
96.96013	1.0
97.02953	0.8
101.02443	7.7
111.00870	1.3
113.02453	8.6
119.03519	4.1
121.06602	2.8
123.04482	1.5
123.80828	0.7
130.08765	2.1
131.08257	2.6
131.09163	1.3
139.07655	100.0
139.79904	1.1
140.07988	3.8
153.09186	2.1
161.04544	1.4
163.07678	1.9
165.05571	3.5
174.08835	0.9
183.06622	49.9
184.06970	2.9
187.07663	1.0
225.07655	3.2
229.04321	1.0
231.10172	1.1
242.10835	0.8
257.12943	1.0
296.82178	0.8
301.19556	1.2
301.25232	0.9
310.14847	0.9
345.11142	1.3
345.18591	1.7
345.22217	1.3
354.76230	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	55.9
60.01718	1.7
61.98828	100.0
69.67345	6.7
69.67778	5.0
71.01366	2.5
73.02933	2.5
74.02472	7.7
77.68428	1.4
78.95912	4.5
82.02995	2.4
88.03997	1.8
98.20622	3.2
101.02442	95.4
102.02786	1.8
104.03534	2.5
106.17092	1.8
110.02471	6.4
111.01987	4.2
116.07161	2.0
127.05125	4.4
128.03539	3.9
129.10284	2.3
130.07768	3.1
130.08745	51.7
131.09082	6.3
131.82541	1.6
133.01573	1.9
134.04726	2.4
135.83636	1.9
145.06195	3.2
145.09813	2.7
150.04228	4.7
151.04538	3.4
155.08340	2.3
159.03325	2.3
178.90001	2.0
183.01472	2.6
200.05676	3.9
201.02550	24.8
201.89095	1.8
202.02686	7.9
203.02286	26.1
203.99982	29.2
240.13609	2.1
241.07478	4.1
243.06229	13.5
258.18307	2.0
271.21353	2.0
285.68823	2.0
301.14682	2.7
301.18607	2.1
315.16577	5.5
315.20392	4.5
345.07892	2.1
345.17340	36.5
345.21490	4.2
346.14664	7.2
364.70157	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0827
Annotation	Methyl gallate 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03453	0.9
59.01377	4.7
61.83131	0.4
61.98808	0.6
69.03467	1.6
69.64297	2.4
71.01379	2.9
73.04070	0.7
77.03958	1.1
83.01399	1.9
83.05029	0.6
85.02955	1.8
87.00899	0.5
89.02453	1.2
93.03436	1.1
95.01409	0.9
96.95992	0.7
97.02950	1.5
99.00858	2.0
101.02460	1.4
101.69613	0.4
109.02962	0.7
110.00081	1.0
111.00890	2.8
111.04494	0.4
121.02957	1.9
123.00845	0.5
123.04532	1.4
125.02411	0.4
127.03952	0.5
129.02028	0.4
130.08740	5.7
131.09070	2.7
133.02928	0.5
135.04523	1.3
137.02440	5.1
139.00365	3.9
139.04028	1.0
140.01155	0.8
141.01894	3.1
147.17250	0.4
153.01924	3.0
165.01927	6.9
165.99075	3.4
166.99820	1.2
167.03554	0.5
169.09789	0.9
177.01929	0.9
179.03465	0.5
181.01428	6.4
182.02205	100.0
183.02968	86.0
183.10214	0.5
184.03314	5.2
191.05569	0.6
195.03029	1.9
199.18143	1.4
200.18437	1.5
203.10847	0.5
204.92955	0.4
207.03065	0.5
214.12709	0.5
215.98837	0.5
225.04132	0.6
243.05898	1.6
248.11703	1.0
257.20764	0.7
265.14313	0.5
283.10535	0.5
300.19275	0.9
301.19614	3.2
344.22009	0.5
345.08209	61.0
345.18024	1.8
345.22217	4.9
346.08496	6.3
346.18427	0.8
354.64230	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0798
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25549	0.5
59.01377	9.1
61.98830	100.0
70.59447	0.9
70.59801	1.4
71.01372	1.2
74.02484	1.1
74.25753	0.5
77.50933	0.6
87.05656	0.8
89.02463	0.7
92.06796	0.6
101.02441	0.9
123.04543	1.4
128.03531	0.5
130.08755	3.1
131.09209	0.6
145.06209	0.9
149.57796	0.6
150.04245	1.0
156.99969	1.3
157.03571	0.8
161.04631	0.5
176.00514	2.1
177.00653	1.5
178.00291	1.0
186.12482	1.0
193.92892	0.6
201.00824	0.9
201.02585	3.1
201.98508	2.7
202.02698	1.0
202.98602	2.3
203.02322	3.5
203.98230	1.2
204.00011	9.7
282.08398	0.6
301.15225	1.2
315.16690	0.7
315.20135	0.5
345.10284	0.6
345.17838	3.1
345.21585	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.5
69.03475	0.9
69.53235	3.7
71.01385	2.9
71.02489	0.8
73.04066	13.9
82.06629	3.0
83.01399	1.4
83.02512	2.9
84.08183	1.9
85.02946	1.2
88.04068	0.7
89.02459	1.3
93.03415	0.8
96.96008	0.9
98.02481	1.0
98.20653	0.8
99.00817	0.7
101.02423	1.6
107.27267	0.7
111.00883	1.1
111.04523	0.8
113.02456	1.1
118.05089	0.7
121.02965	1.1
123.04524	1.8
125.02404	0.6
129.10330	2.0
130.08734	100.0
131.09091	4.4
137.02426	2.4
139.00357	1.3
139.03970	0.7
139.07729	1.5
139.08762	4.3
140.07182	3.7
141.01921	1.4
141.10345	5.2
143.11945	3.7
152.10803	0.8
153.01805	1.4
160.79193	0.7
165.01936	4.0
166.99893	0.7
169.09814	12.9
181.01376	4.0
182.02199	47.3
182.15485	4.1
183.02969	46.3
186.12471	1.0
195.03000	0.9
199.18135	39.1
200.18457	3.5
213.12448	8.2
219.31218	0.7
243.17064	3.0
256.20273	14.2
271.13037	0.9
300.19260	40.4
301.19638	4.5
307.07480	0.8
344.21835	65.7
345.08160	30.1
345.15247	1.6
345.22186	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	344.1826
Annotation	Val Leu Asp
Peak:m/z	Relative Intensity
50.65314	1.0
59.01369	2.9
62.99934	1.1
70.22555	1.8
70.22946	2.7
71.01383	34.4
73.04054	2.2
78.94628	1.0
82.06607	1.3
88.04041	52.7
88.04582	2.5
89.04343	1.5
98.10426	1.1
114.01970	1.6
115.00372	49.4
115.08775	14.3
116.07144	1.4
121.46059	1.4
123.04533	1.8
125.07293	2.2
129.10339	8.8
130.08728	6.4
130.10725	1.0
132.03038	16.5
140.10716	1.2
150.12796	0.9
155.11911	1.0
157.13429	4.9
166.08701	1.8
181.04988	1.6
181.13402	3.4
182.05504	1.0
183.15019	5.1
185.16562	3.7
210.16142	4.1
211.14488	10.7
228.17154	97.9
229.15533	35.9
229.17519	6.3
230.15767	1.9
256.20139	2.1
300.19266	16.4
301.19681	1.8
326.17291	2.6
344.18222	100.0
345.18454	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	344.1827
Annotation	Asp Val Leu
Peak:m/z	Relative Intensity
54.49929	1.1
56.57999	1.0
59.01379	2.6
62.47082	1.1
66.03493	1.2
66.58623	1.1
69.37550	8.6
70.02977	1.5
81.02209	4.4
82.03015	1.6
82.47453	1.1
87.05653	2.1
95.28695	1.0
96.00910	8.6
98.02470	18.2
109.01698	2.0
113.03565	6.5
114.02000	2.1
116.07192	12.3
124.07700	6.0
125.07185	1.7
126.05620	4.1
130.08740	47.6
131.09064	2.1
132.03110	1.3
138.09253	14.2
139.07664	1.7
139.08745	2.4
140.07133	2.2
143.93588	1.2
151.08722	1.6
152.07175	23.1
153.07545	1.3
154.08740	1.3
165.63560	1.2
166.08727	7.2
183.06509	1.5
185.16618	6.0
192.38562	1.1
204.09059	1.9
211.14520	8.5
213.08917	2.9
219.15047	3.7
221.16620	11.5
222.15018	1.6
228.90541	1.0
229.04044	1.2
229.15506	7.3
247.14508	9.4
258.31931	1.1
265.15567	7.3
309.14554	100.0
310.14914	8.1
326.17191	39.6
327.17618	2.0
344.18262	16.8
345.18521	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	344.135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	35.2
61.98828	25.7
66.40390	3.8
68.32197	3.7
69.81802	12.8
69.82212	11.3
71.01382	38.1
72.00925	14.5
74.02479	17.7
80.33360	4.2
85.02958	6.5
88.04047	26.8
88.04504	4.0
89.02448	28.0
92.21547	3.6
93.70687	3.4
96.00919	7.1
96.19315	3.6
96.96013	5.4
98.19852	4.3
101.02444	8.9
103.21274	4.0
104.92847	4.4
108.94656	3.6
113.02464	6.8
113.03616	6.5
114.05625	19.1
115.00357	17.8
115.08739	5.0
115.92105	4.5
116.07211	6.2
116.46265	4.2
119.03519	9.1
120.01264	10.2
123.00897	8.7
123.04482	9.9
124.01661	6.8
127.05101	6.9
129.10420	6.8
130.08730	14.5
131.03535	5.3
132.03053	4.5
139.00455	5.4
143.11913	10.5
147.04507	32.9
150.04263	7.5
161.04556	5.0
164.07161	100.0
165.01973	6.7
165.07516	6.8
166.99841	7.2
181.05069	15.6
182.05423	14.4
183.02963	7.7
184.07285	4.7
184.10866	5.5
200.14154	4.1
213.16611	4.0
213.18861	3.9
213.98457	5.7
214.15657	4.6
226.12038	4.7
228.17157	38.8
229.15553	11.4
235.58984	4.3
244.15958	5.3
250.49385	3.7
267.09769	5.1
282.64087	3.9
282.67957	4.2
300.19324	9.1
301.15237	16.7
315.16760	6.1
344.10535	4.4
344.18079	37.7
345.08179	16.4
345.17670	28.5
345.21277	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	343.2489
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
53.81634	0.6
54.81676	0.6
56.28102	0.6
57.03430	1.4
58.00584	2.2
59.01368	1.1
67.11563	0.6
73.02944	0.9
76.69081	0.7
83.05030	1.1
97.06592	1.2
98.12769	0.7
111.08189	1.0
121.10233	2.3
123.08108	1.3
125.09709	7.6
125.19665	0.6
127.11298	12.5
128.52930	0.6
137.09726	2.3
139.11302	9.6
151.11264	2.4
155.10753	4.3
157.12302	1.5
159.48753	0.7
165.09181	4.9
171.10271	30.8
172.10612	1.9
183.10291	1.2
199.09750	3.8
201.11324	66.3
202.11626	4.5
246.95152	0.7
275.20120	4.5
293.21240	3.7
307.22690	2.3
311.22293	9.2
312.22598	1.1
343.24875	100.0
344.25189	11.9
363.68915	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2488
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
57.03448	0.9
58.00597	1.9
59.01370	0.4
71.01456	0.8
71.01809	0.6
73.02946	0.9
97.06573	0.6
121.10211	1.7
125.09740	6.9
127.11301	12.3
128.11604	0.7
137.09726	1.7
139.11299	7.6
151.11281	1.3
155.10767	4.8
157.12265	1.0
165.09230	3.2
171.10272	31.3
172.10638	1.5
183.10236	1.7
199.09738	3.5
201.11322	56.7
202.11684	3.3
275.20090	3.0
293.21201	2.8
307.22720	0.6
311.22223	5.9
325.23941	0.7
343.24881	100.0
344.25232	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	343.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
66.76144	0.7
68.14507	0.6
69.70379	0.7
69.97025	2.1
69.97434	1.4
71.00877	0.6
74.27225	0.8
83.18867	0.7
99.08145	1.3
125.09761	1.7
127.11285	1.8
130.15199	0.7
137.09679	0.9
139.11290	55.2
140.11633	3.4
171.10263	60.1
172.10596	3.6
177.12764	0.7
184.04845	0.8
195.61719	0.7
201.11287	1.8
211.13293	2.3
309.20688	0.7
343.24866	100.0
344.25131	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	343.2488
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
69.41719	0.5
73.44968	0.6
80.07205	0.5
82.00972	0.5
83.05002	0.5
86.39127	0.6
98.04642	0.5
99.08147	2.1
102.33505	0.5
102.78549	0.6
108.11777	0.5
109.70760	0.4
121.10231	2.1
125.09717	1.5
127.11278	2.2
128.92644	0.5
137.09685	1.1
139.11290	38.7
140.11617	2.5
157.17868	0.5
171.10265	58.8
172.10631	3.7
193.12323	2.3
201.11385	1.4
211.13474	1.2
225.14908	2.5
226.15269	0.6
243.15967	1.3
293.21326	1.1
311.22122	0.9
328.30249	0.6
343.24866	100.0
344.25208	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	343.2488
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
59.01384	1.0
69.03433	1.0
71.38087	0.8
97.06606	1.1
98.20302	5.5
99.08162	7.2
121.10220	3.6
123.97298	0.9
125.09663	1.9
127.11337	1.3
137.09653	1.2
137.72382	1.0
140.52376	0.9
150.38313	1.0
171.10262	26.5
172.10579	1.9
193.12317	9.5
211.13373	5.8
225.14966	13.8
243.15935	7.2
246.41988	0.9
246.44603	1.0
248.50966	0.9
248.84666	1.3
264.96500	0.9
293.21292	2.5
296.77994	0.9
324.12598	0.9
325.23825	1.2
343.24860	100.0
344.25192	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	343.2124
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
57.03445	1.9
59.01388	5.2
70.28116	1.9
70.28477	1.7
71.01379	2.5
71.05019	1.1
83.05021	1.4
85.02934	1.0
87.04533	1.1
95.04987	1.0
97.06570	1.4
109.02949	1.0
111.08128	1.8
121.02951	2.5
123.08138	2.1
125.09684	5.3
127.11284	4.0
135.08138	1.1
141.09227	10.7
153.09219	2.6
155.10704	1.0
162.94012	0.8
167.10718	0.9
171.10266	17.0
172.10655	1.0
183.10339	1.7
185.11855	1.7
197.11908	1.3
201.11317	19.7
209.11784	1.2
211.13469	0.9
213.11327	2.1
215.12885	1.4
229.14415	1.6
237.14838	1.9
245.19086	0.9
249.14864	0.9
255.16011	2.0
263.20132	3.0
267.16068	1.3
279.78333	0.9
281.21497	1.3
283.19217	1.5
285.17029	3.0
289.18048	3.6
307.19345	3.1
313.03955	1.0
325.20422	10.8
326.20663	1.9
328.05905	1.1
343.21262	100.0
344.21597	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	343.2124
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
53.09946	0.7
57.03449	3.2
58.00600	0.8
58.59449	0.7
59.01378	3.3
69.03442	1.6
69.32948	6.4
71.01379	0.9
71.05011	2.8
71.81722	0.8
73.02935	1.0
83.05035	3.3
84.02164	2.7
85.02951	3.0
85.06593	0.8
87.04532	2.7
89.88977	0.8
92.24812	0.7
93.26834	1.0
95.05028	5.0
97.06605	2.2
99.04490	1.1
109.06599	2.2
111.08181	1.5
113.06082	1.5
115.07695	1.0
117.71485	0.7
123.08171	3.0
125.09737	2.2
127.11253	1.8
135.08113	1.0
137.09726	1.0
141.09221	0.8
146.79202	0.8
147.03206	0.7
151.11253	0.8
153.09238	1.6
165.12761	0.8
167.14296	1.2
171.10268	14.4
181.12434	0.9
183.13881	2.5
185.11841	2.1
187.09813	0.9
190.64487	0.8
195.10229	1.3
197.11751	1.9
199.13393	2.1
201.11279	7.1
202.11513	0.9
209.11824	6.6
211.13393	10.0
213.11330	1.8
223.13345	1.1
229.14426	9.9
230.14711	1.9
235.13582	0.8
237.14955	8.4
249.15034	3.0
255.16116	1.1
267.15891	1.4
285.16983	0.8
289.18082	1.5
307.19223	1.4
325.20209	7.4
343.21240	100.0
344.21497	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	343.2123
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
53.81475	1.0
53.86000	1.0
57.03438	3.0
59.01360	3.6
61.98827	6.4
69.03455	15.9
70.20898	2.0
70.21284	1.7
71.01379	4.2
71.04992	1.1
71.37564	0.8
73.02935	1.9
74.56966	1.0
83.05041	4.6
85.02960	4.9
94.28521	1.0
95.05046	2.6
97.06580	2.0
99.92589	10.8
100.93362	1.7
101.02459	1.5
105.07092	3.5
106.04186	1.8
109.06570	2.8
111.04519	1.4
112.05260	1.2
115.92081	17.5
116.92111	1.5
116.92860	17.9
117.92857	1.4
123.08158	4.7
125.09748	2.5
126.22817	0.9
127.11279	2.4
133.48679	0.9
135.08157	7.9
153.09204	7.8
161.40060	0.9
163.32152	0.9
166.34149	0.9
169.93124	1.8
171.10265	100.0
172.10626	5.6
179.14249	1.1
184.61954	1.0
185.11882	2.2
197.11867	1.3
199.09860	1.1
201.11325	28.2
202.11635	1.8
209.11743	2.3
211.13310	6.9
213.11267	5.6
221.11845	2.7
229.14417	6.6
237.14922	3.6
263.03778	3.6
281.04916	1.3
289.18103	5.1
290.03809	1.0
304.59735	1.1
307.02640	2.8
307.19147	3.2
325.03754	3.9
325.20187	11.1
343.04938	9.9
343.21219	90.7
344.06284	2.7
344.21313	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	343.1033
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
54.10855	0.4
58.02946	0.7
59.01378	14.8
60.01724	0.5
70.86352	1.1
71.01379	0.7
88.04061	2.3
94.51301	0.4
95.05036	0.8
96.00934	1.1
105.77412	0.4
109.02950	6.1
109.06588	3.4
113.03503	0.7
115.08807	0.7
116.07172	6.5
119.05011	4.3
121.02961	8.0
122.03713	0.9
129.10324	0.5
129.62122	0.4
130.08722	2.1
135.04530	6.3
136.04861	0.9
137.06088	29.1
138.06448	1.5
138.09134	0.6
152.07138	0.8
155.08313	0.5
163.06062	0.6
167.08141	0.5
179.03485	1.1
181.05069	100.0
182.05406	6.5
185.16608	1.7
209.09395	0.7
211.14386	0.8
226.11827	0.8
229.15628	0.5
247.14507	0.5
300.15643	1.8
309.14639	2.7
325.18893	0.7
326.17242	2.2
343.10242	11.7
343.19794	7.3
344.10617	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92939	0.8
57.28848	0.8
59.01379	100.0
60.01707	0.8
63.71261	0.8
69.17675	3.1
69.18100	6.4
71.01384	6.4
73.02936	1.2
74.02477	1.3
74.15797	0.9
81.07096	1.0
85.01161	0.8
85.02928	1.7
87.00869	1.2
89.02432	7.6
98.19925	1.4
101.02434	4.0
104.39130	0.8
110.02359	0.9
113.02422	2.9
114.05595	8.4
119.03497	2.2
119.05038	1.1
120.99706	1.0
130.08734	12.4
131.09067	3.2
137.09706	1.6
143.81377	0.9
163.07687	1.6
165.06645	3.9
169.46948	0.9
179.05531	1.1
181.08633	1.2
185.16444	2.0
186.16985	1.3
191.05771	1.0
240.18259	0.9
271.05939	1.0
299.25497	1.1
300.19229	1.5
342.23999	3.0
343.08530	4.9
343.14087	1.1
343.24289	8.2
344.21539	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	14.7
60.01721	0.4
65.49725	0.3
69.25268	0.4
71.01363	0.7
74.02470	2.5
81.03452	0.9
83.27554	0.4
87.05621	0.3
93.03463	0.6
93.07086	0.4
95.05022	1.1
101.02458	0.4
107.05081	0.5
109.02952	7.0
109.06593	4.0
115.08787	0.6
118.05097	0.3
118.41587	0.5
119.05016	4.7
120.01251	1.5
121.02953	7.0
122.03783	0.9
129.10338	1.5
129.78046	0.4
130.08733	0.5
135.04509	6.2
136.04962	0.6
137.06082	31.6
138.06407	1.5
140.46979	0.3
143.11879	1.0
150.06908	1.7
151.07513	0.4
162.06862	3.3
163.07631	1.4
179.03517	0.7
180.07919	5.6
181.05064	100.0
182.05385	5.6
195.35526	0.4
199.28490	0.3
223.09807	0.5
225.16092	0.5
228.14328	0.7
256.20233	0.7
284.26691	0.4
300.12115	0.4
300.19241	2.0
313.03561	0.5
328.05960	0.7
343.10577	4.4
343.19977	1.4
344.11026	0.4
344.21802	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	2.2
69.03465	4.8
69.77653	4.8
73.02945	0.9
91.03339	0.9
93.35277	0.9
98.20045	1.4
98.20576	1.6
107.08645	1.7
108.05824	1.7
113.02356	0.9
119.08666	9.5
125.09692	3.2
127.11314	5.7
135.08163	2.8
137.09723	34.9
138.10040	2.8
155.10727	1.6
165.09200	1.0
166.65393	0.8
171.10271	100.0
172.10583	5.6
199.09753	1.3
201.11319	30.4
273.18478	3.3
291.04846	0.9
291.19763	5.5
309.20715	18.9
310.20996	1.7
341.23349	17.7
342.23694	1.5
345.19406	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.1
56.23257	0.7
57.02982	0.9
58.00589	3.1
58.19365	0.9
59.01381	76.3
59.64726	0.8
60.01714	2.3
61.98829	1.8
66.03493	1.1
71.01382	44.1
71.51422	0.9
72.00897	1.1
72.01715	1.7
72.94849	0.7
72.99313	4.2
73.02938	1.4
74.02473	2.7
81.02221	0.9
82.02995	1.1
83.00895	0.8
83.01377	2.8
85.02952	8.9
87.00857	0.9
88.04030	2.7
89.02444	34.7
90.02792	1.6
93.03472	1.1
95.01388	2.4
96.00925	2.3
96.48646	0.8
97.04055	1.1
98.02505	2.4
99.00901	1.8
101.02437	27.8
101.19323	0.8
102.02795	1.3
106.06635	3.8
109.01705	1.7
113.02452	11.9
113.03238	0.9
113.03587	1.8
114.05603	12.8
115.08758	1.5
116.07174	4.8
119.03503	14.2
120.01213	1.2
120.03863	1.3
121.02960	2.1
130.08740	6.5
132.03065	1.1
134.06084	5.4
135.04543	7.7
136.04852	7.1
137.06068	5.3
138.09265	1.3
140.07175	5.0
151.00362	1.0
155.11938	1.6
162.05602	87.1
163.05952	4.5
166.08720	37.0
167.09061	1.5
169.97011	0.9
179.03487	3.4
179.05626	1.6
180.03857	4.9
180.06093	0.8
181.05066	17.6
183.11400	2.9
185.16562	4.3
194.94827	0.9
205.30670	0.9
212.10406	2.3
223.10870	1.1
226.12003	2.4
227.10416	3.4
227.14058	10.2
284.39255	0.9
298.14224	0.9
309.14813	1.5
310.73361	0.9
313.03778	1.0
324.15405	1.1
326.17203	2.6
328.05707	0.9
342.11957	100.0
342.16608	8.8
343.12595	10.4
343.19818	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	341.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.8
59.01381	2.2
62.82471	0.6
69.03448	4.3
70.85313	1.4
71.01393	2.1
81.03478	0.6
83.05036	1.0
87.07329	0.6
89.02452	2.0
95.05083	0.6
101.02468	1.0
101.33216	0.6
107.08677	1.3
108.05795	1.4
113.80402	0.6
119.03507	0.8
119.08664	9.7
125.09711	3.2
127.11285	4.5
135.08173	2.7
137.09721	39.2
138.10069	1.3
151.00374	1.0
152.97639	0.6
153.09172	0.9
155.10748	1.1
165.09235	0.8
171.10265	100.0
172.10608	5.0
187.37791	0.6
199.09737	0.9
201.11316	27.8
201.13214	1.3
202.11636	1.6
273.18680	4.2
291.19681	7.3
292.20084	0.8
309.20697	19.1
310.21066	2.1
341.23273	21.7
342.23618	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	341.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.7
64.89417	0.6
69.03463	2.3
69.61716	0.9
69.62108	1.7
72.98098	0.6
78.90736	0.6
83.05038	2.1
84.02175	2.7
89.02454	0.8
97.02935	0.8
97.06587	13.3
121.10149	0.6
125.09711	1.9
127.11260	0.6
137.09695	1.9
140.16743	0.5
149.13300	1.0
151.87349	0.6
165.12959	0.8
171.10265	11.4
183.13927	1.2
193.12329	15.1
194.12717	0.7
196.73994	0.5
197.15479	0.6
203.37738	0.5
211.13354	4.0
221.11752	0.7
225.14961	22.9
226.15321	1.5
243.15991	10.2
253.14397	1.5
272.16260	0.6
291.19687	1.5
309.20688	0.7
313.16827	0.5
327.04068	0.5
341.23306	100.0
342.19836	1.0
342.23666	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	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71924	0.7
58.35036	0.7
58.68229	0.7
61.72815	0.7
62.84092	0.7
65.74476	0.7
69.03456	29.2
71.21575	1.3
71.43636	0.7
80.02671	1.0
83.05026	1.2
84.02143	1.5
92.69177	0.7
108.05823	1.0
119.08664	4.6
125.09740	1.7
127.11305	2.5
135.08116	1.1
137.09721	32.9
138.10080	1.6
171.10268	67.6
172.10625	4.2
201.11275	1.6
211.13451	0.7
225.14915	1.3
257.40387	0.7
299.26035	0.8
341.23315	100.0
342.23627	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	341.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17222	2.2
57.03446	5.1
59.01371	24.7
63.38493	2.3
69.03442	4.6
70.19634	10.5
71.01373	18.0
71.05020	22.8
74.57233	2.1
77.40900	2.2
81.03455	41.0
83.05029	38.3
84.02130	2.5
85.02959	4.8
89.02462	18.2
93.03471	24.5
95.01387	2.5
95.05032	7.3
97.02995	3.5
99.92613	3.9
100.07608	2.2
101.02453	7.8
106.39229	2.2
109.02989	3.9
109.06595	12.0
110.03723	2.5
111.04518	99.3
112.04846	4.0
113.02444	6.9
115.92083	5.9
116.92843	4.7
119.03493	5.4
122.03689	2.7
123.04534	14.2
123.08160	5.3
125.09723	8.0
127.07608	4.6
127.11265	4.8
130.08685	3.4
133.06540	2.4
136.05276	2.7
139.07652	9.6
151.00322	4.8
151.07639	58.6
152.07994	3.1
169.08690	30.4
171.10272	100.0
172.10579	6.5
175.00343	2.3
179.05627	6.8
197.11613	2.9
201.11311	30.8
202.11520	2.8
213.11308	21.2
251.12997	5.7
265.14569	3.1
279.03311	5.2
283.29880	3.1
287.16522	8.6
305.17523	6.5
323.18585	6.9
324.19028	3.9
338.12280	2.3
339.82080	2.3
341.03378	3.8
341.10907	5.7
341.19901	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.3
57.03443	4.9
58.00601	2.6
59.01379	15.3
59.92879	1.6
68.72474	1.5
69.03442	4.0
69.41974	2.7
69.42382	10.6
71.01385	12.0
71.05013	17.6
72.99278	2.0
79.66617	1.4
81.03455	33.5
83.01399	2.0
83.05025	28.3
85.02966	2.7
89.02444	14.8
93.03455	25.5
93.07025	1.6
95.05042	6.0
97.02937	3.6
100.76414	1.6
101.02445	4.8
105.13201	1.7
107.05026	3.3
109.02937	2.9
109.06594	7.6
110.03717	1.7
111.04521	87.9
112.04838	2.1
112.45543	1.6
113.02482	4.9
115.92078	2.2
116.92843	2.4
119.03525	3.3
122.03712	3.8
123.04549	10.0
123.08161	4.7
125.06142	1.6
125.09726	6.9
127.07683	2.9
127.11283	5.1
133.06596	2.1
136.05235	1.8
139.07578	7.8
148.10478	2.1
151.00424	1.9
151.07645	57.9
152.08089	1.8
161.04539	1.9
169.08701	30.6
170.09091	1.9
171.10269	100.0
172.10588	5.9
179.05569	5.1
195.10220	1.9
199.09679	2.9
201.11314	25.2
213.11314	18.1
214.83929	1.7
251.12920	8.3
279.03223	4.8
281.07056	4.1
283.60776	1.7
287.16531	6.6
305.17609	4.1
323.18524	5.4
341.10919	4.1
341.19604	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	341.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44561	2.1
54.64691	2.2
55.01881	3.2
55.76562	2.2
57.03446	9.8
59.01384	22.6
68.21619	2.5
69.03442	6.5
69.23805	14.2
69.24226	8.9
71.01392	14.3
71.05018	48.6
72.40221	2.2
81.03461	40.1
83.05019	25.5
84.02200	3.1
85.02962	5.6
87.04506	5.0
89.02428	14.2
93.03473	8.6
95.05019	20.5
97.02943	8.8
97.06572	5.6
98.03753	3.1
99.04513	45.5
101.02473	7.2
108.02180	2.8
109.02966	6.7
109.06587	14.3
110.03728	3.7
111.04522	11.5
113.02455	3.3
113.06073	4.1
119.03501	6.0
123.08192	3.3
125.09736	6.8
127.07622	3.0
127.11311	5.1
133.06590	3.9
137.09694	2.6
151.00378	8.3
151.03960	2.7
151.07628	18.8
153.09198	3.2
155.10789	3.0
165.12930	3.6
171.10254	46.3
173.04552	6.9
179.05623	4.7
189.12872	6.9
191.14410	7.4
193.12347	23.8
199.13405	7.0
201.11389	6.1
207.14006	5.1
209.15495	3.2
211.13370	5.8
213.11372	4.0
215.12932	4.7
217.12195	2.9
233.11853	5.7
235.13376	59.8
236.13631	4.1
243.17580	10.2
249.14963	4.1
251.12662	3.1
253.14439	100.0
254.14720	11.9
279.19815	3.6
287.16550	35.6
288.16891	5.2
297.20282	2.7
305.17569	21.1
323.18698	14.8
341.10904	6.7
341.19785	21.1
341.23398	5.3
342.20032	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	341.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57612	2.3
57.03453	3.7
59.01379	11.3
69.03416	2.8
71.01389	9.2
71.05018	7.7
71.54338	3.1
73.02945	1.9
75.27258	2.4
77.64809	1.9
80.02670	3.5
81.03443	5.8
83.05031	10.7
84.02194	3.6
85.02973	2.4
87.04540	2.3
89.02465	6.0
95.05016	11.8
97.06595	4.4
98.03736	4.6
99.04546	2.1
101.02451	4.3
107.04991	2.3
109.06586	20.3
110.03731	2.4
113.06072	5.3
119.03526	3.9
123.08160	5.8
125.06078	6.2
125.09728	15.4
127.07660	7.1
127.11282	7.4
135.08150	2.1
137.06123	2.1
137.09692	2.7
155.10753	3.0
163.11270	5.5
165.09203	2.2
165.12831	3.3
171.10268	11.6
179.05606	2.8
179.07181	2.3
183.10297	1.8
185.11833	11.4
191.10876	2.8
195.10281	3.8
197.11855	11.3
199.09760	2.8
199.13429	2.8
201.09554	3.9
201.11319	48.9
202.11670	4.7
209.11823	100.0
210.12140	8.5
213.11302	32.8
221.11931	2.7
227.12895	12.9
233.11885	2.4
235.13335	4.6
239.12831	4.3
249.14839	2.9
251.12871	17.6
252.13312	4.3
260.70502	2.2
265.14429	3.6
266.14969	1.9
287.16553	14.2
304.85001	1.9
305.17566	19.5
323.18594	22.3
324.18875	2.5
341.10913	2.5
341.19662	45.2
341.23657	2.5
342.19821	5.5
350.02972	2.0
355.06104	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	341.1087
Annotation	alpha,alpha-Trehalose
Peak:m/z	Relative Intensity
58.00597	4.1
59.01378	100.0
59.34430	0.9
60.01694	1.5
71.01381	66.5
71.27806	1.4
72.01718	1.3
72.99312	3.7
73.02964	1.6
81.99202	1.1
83.01385	2.7
85.02946	10.1
87.00885	3.7
89.02445	90.9
89.87930	0.9
90.02769	1.4
92.37071	0.9
95.01392	3.5
101.02440	32.9
113.02444	25.2
116.16949	1.0
119.02659	2.0
119.03493	30.6
120.03830	1.1
131.03497	5.2
135.04523	13.6
143.03458	8.2
149.04515	3.2
151.45467	1.2
161.04550	9.6
173.03044	1.8
179.03488	11.5
179.05605	28.4
180.05965	1.3
199.00992	3.9
257.50189	1.1
341.10953	31.1
342.11417	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	341.1087
Annotation	alpha,alpha-Trehalose
Peak:m/z	Relative Intensity
55.01865	1.2
57.03454	1.6
58.00588	3.5
59.01381	100.0
60.01712	1.4
71.01382	60.9
71.28251	1.8
72.99325	2.0
73.02942	1.9
83.01389	1.6
85.02966	8.2
87.00867	4.0
89.02445	78.8
90.02776	1.3
95.01391	3.0
101.02441	28.6
113.01712	1.8
113.02453	22.7
119.03503	29.3
120.03848	1.1
131.03493	5.0
135.04526	4.0
143.03494	5.5
149.04590	1.4
161.04549	8.0
179.03523	4.0
179.05609	31.2
179.07191	1.8
202.83427	0.9
341.10858	29.5
342.11203	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	341.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.5
56.81985	1.2
57.03457	2.0
58.00570	3.5
59.01381	100.0
59.40289	1.7
66.16399	1.2
69.91952	2.7
69.92349	3.0
71.01383	60.6
71.01778	3.3
71.05013	1.8
72.99292	3.6
73.02949	2.9
83.01387	2.7
85.02542	1.2
85.02953	15.6
87.00848	4.5
89.02448	60.3
90.02773	1.9
95.01384	3.4
99.00852	2.3
100.20745	1.4
100.89774	1.3
101.01810	2.0
101.02448	39.6
113.02442	21.7
114.05582	1.6
119.03503	25.1
131.03447	2.6
134.03679	1.7
134.34802	1.3
135.04530	57.4
136.04843	2.7
142.35115	1.3
143.03465	3.8
149.04480	2.2
161.02496	1.4
161.04581	7.1
179.03452	48.6
179.05539	9.7
180.03792	2.7
260.97742	1.2
341.09003	84.2
342.09341	7.7
344.88016	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	341.1086
Annotation	alpha,alpha-Trehalose
Peak:m/z	Relative Intensity
53.00282	0.8
57.03448	0.9
58.00591	5.1
59.01376	100.0
59.58172	0.6
60.01703	1.8
61.98837	3.9
70.40295	0.9
70.40619	1.7
71.01378	74.6
72.01729	1.0
72.99305	3.9
73.02953	1.5
83.01390	2.8
85.02943	9.4
87.00871	4.1
89.02442	84.7
90.02774	1.5
95.01391	3.5
97.02906	0.7
101.02440	32.5
102.02759	0.8
107.03484	0.9
113.02444	26.8
114.02778	1.1
119.03499	30.0
125.02418	1.4
131.03516	4.6
133.01321	0.7
143.03505	8.0
149.04536	2.7
161.04555	8.8
179.05606	31.5
180.06021	1.6
185.10245	0.8
278.02048	2.7
327.59760	0.7
341.10867	33.8
342.11209	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	341.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.8
61.98827	0.8
68.22933	0.3
71.01385	4.7
73.76846	0.3
83.01379	0.5
85.02977	0.5
85.36305	0.3
87.00901	0.7
89.02450	6.3
95.01372	0.4
101.02439	2.2
105.63680	0.3
107.01379	0.5
107.05034	0.8
113.02451	1.4
114.05582	1.7
117.03445	0.7
119.03524	1.8
122.74513	0.4
134.03745	2.8
135.04526	100.0
136.04865	5.1
143.03485	0.6
151.00359	2.1
161.04530	0.4
162.05620	0.3
164.28568	0.4
166.08748	0.6
175.00357	0.5
179.03499	87.1
180.03838	5.0
190.73431	0.4
341.08786	2.2
342.12015	0.5
342.16565	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0877
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
51.53793	0.4
57.65981	0.4
57.97291	0.3
59.01382	1.5
70.12981	1.4
71.01392	1.0
85.02954	0.4
89.02451	0.9
99.37163	0.4
101.02434	0.8
107.05028	1.3
107.98710	0.4
113.02496	0.4
117.03482	0.6
119.03429	0.4
119.94437	0.4
134.03746	3.9
135.04526	100.0
136.04852	4.3
139.95361	0.4
161.05884	0.4
162.05644	0.4
163.24228	0.4
179.03494	88.7
180.03835	4.0
341.08786	2.5
342.12073	0.9
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	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
57.03435	0.6
58.00615	0.6
59.01382	22.4
69.51487	3.9
71.01384	15.8
72.99308	1.0
83.01397	0.9
85.02959	2.3
86.09344	0.6
87.00876	0.9
87.21529	0.5
89.02448	18.7
93.03469	0.7
95.01412	0.7
96.95990	0.5
98.19903	1.1
101.02451	6.4
105.03471	1.7
107.01395	0.8
107.05073	1.0
113.02444	6.7
114.05620	2.3
119.03522	6.9
120.01283	0.6
130.08743	1.0
131.03467	0.7
133.02946	1.0
134.03789	3.4
135.04530	100.0
136.04855	4.4
143.03600	1.1
149.04602	0.8
151.00450	2.6
151.03958	0.8
154.71384	0.6
161.02443	1.3
161.04573	1.8
164.04762	0.8
167.09047	0.9
177.01974	0.8
179.03497	99.3
179.05530	5.7
180.03841	5.4
183.81700	0.5
211.07971	1.0
246.97845	0.6
341.08862	10.1
342.09164	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	339.2328
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
154.92336	0.4
163.11284	100.0
164.11617	4.5
214.01210	0.5
244.91200	0.5
298.41714	0.6
339.23270	81.8
340.23581	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	339.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73647	0.4
59.01380	100.0
59.54119	0.4
60.01717	1.6
69.39244	3.1
78.97343	0.3
103.87476	0.5
183.01187	0.9
244.91068	0.4
263.38959	0.4
279.23297	6.2
280.23602	0.9
293.42572	0.4
297.24344	40.4
298.24765	4.5
339.20099	1.1
339.25394	12.9
340.20612	0.6
340.25787	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	339.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
66.39050	0.4
69.56017	2.6
72.60226	0.4
73.78086	0.4
74.75322	0.4
79.95764	1.7
80.53313	0.4
99.23427	0.5
119.05034	2.0
123.91160	0.4
126.02995	0.5
163.11281	75.2
164.11606	4.0
170.00407	2.2
183.01199	67.8
184.01582	3.6
197.02768	2.1
198.03561	0.7
225.05853	1.3
239.07436	1.4
339.19879	100.0
339.23367	24.7
339.32492	9.3
340.20193	13.3
340.23740	4.1
340.33151	0.4
350.42273	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.8
57.03435	0.6
59.01379	83.6
60.01714	0.7
61.98829	6.8
62.09003	0.6
63.29920	0.7
69.39693	4.5
71.01388	5.7
72.24304	0.7
73.02934	1.3
85.02945	2.4
87.00892	0.8
89.02444	2.7
89.03994	2.0
95.01405	0.9
101.02444	5.2
103.00372	0.8
105.03445	4.5
113.02454	3.2
115.56246	0.7
119.03535	1.2
131.04608	0.8
133.02965	10.1
149.02443	1.1
159.03059	0.8
161.04584	6.3
177.01927	100.0
178.02252	6.3
279.14462	12.1
279.72180	0.7
339.07159	1.3
353.81641	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01716	1.5
60.21476	0.7
61.98836	0.9
71.01379	4.6
71.08237	2.0
73.02962	1.8
75.86189	0.6
85.02976	2.1
93.03469	1.2
96.48560	0.7
99.00893	0.8
101.02428	3.8
105.03497	2.0
113.02464	1.5
133.02977	5.5
143.56923	0.8
149.02402	0.8
155.72202	0.7
158.64389	0.8
161.04590	2.8
177.01927	65.7
178.02275	4.0
191.05687	1.9
192.06036	1.5
193.06161	2.7
210.83173	0.8
239.59251	0.8
279.14493	7.3
339.07556	1.8
350.41235	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0719
Annotation	AESCULIN
Peak:m/z	Relative Intensity
55.67683	0.2
59.01375	1.6
71.52081	0.2
71.52444	0.2
81.03438	0.3
84.90485	0.2
89.03968	2.0
105.03458	3.6
105.40638	0.2
133.02962	8.6
134.03294	0.5
147.93132	0.2
149.02435	0.8
155.17096	0.2
174.75679	0.2
176.01262	0.4
177.01927	100.0
178.02271	5.5
191.84758	0.2
193.81911	0.2
279.14417	0.3
293.55972	0.2
308.76221	0.2
339.07373	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	338.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	2.3
59.01376	0.4
59.38802	0.2
69.58408	0.6
69.58836	0.6
83.04989	0.2
95.05006	0.3
97.06604	0.8
98.19906	0.4
99.03073	0.2
101.72347	0.2
102.76734	0.2
109.06615	0.4
110.09747	0.2
115.06081	0.2
125.09682	0.2
128.10814	10.3
129.11171	0.5
130.08734	100.0
131.09085	3.2
135.08180	0.3
147.08173	0.4
154.08772	0.2
167.07152	0.5
171.10292	0.3
172.09807	1.3
201.11256	1.2
211.09503	0.2
258.98831	0.2
285.14676	0.2
321.17056	0.4
338.19708	35.8
339.20056	4.5
354.26227	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2383
Annotation	Betaenone E
Peak:m/z	Relative Intensity
54.98894	0.5
59.01381	100.0
60.01719	1.4
70.42530	0.4
71.53912	0.7
105.22910	0.4
117.45477	0.4
149.12155	0.5
265.21530	0.5
277.21725	7.1
278.22098	0.9
295.22772	40.4
296.23132	4.0
318.49081	0.4
337.23877	8.4
338.24249	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21021	6.4
59.01374	58.8
60.01709	12.1
61.01797	17.8
61.98831	47.8
68.08541	7.1
69.63136	46.4
71.01384	12.0
74.37549	7.7
85.02946	8.7
87.00878	7.3
97.92043	7.0
98.19923	15.9
113.06066	8.1
114.05604	100.0
114.06326	13.1
128.03546	9.2
180.10275	22.6
191.05634	39.4
192.05945	28.2
223.10840	53.3
279.77884	7.9
338.17264	28.6
356.24426	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	338.161
Annotation	Aucherine
Peak:m/z	Relative Intensity
58.02970	1.4
59.01380	1.1
61.98859	0.3
69.34888	2.4
69.35310	0.8
70.83153	0.3
73.16766	0.3
81.03461	1.3
81.20934	0.3
83.83477	0.3
85.02917	0.4
95.05039	1.8
97.06599	0.4
109.06596	0.7
114.09246	7.5
114.10005	0.6
116.07175	100.0
117.07495	2.4
123.04545	0.7
135.08134	1.8
140.07175	2.4
146.35246	0.4
158.08217	4.0
177.09186	1.5
179.07152	0.9
181.08685	1.5
202.19250	0.4
221.08165	0.5
232.17105	1.0
240.12361	0.6
258.15051	0.3
276.16046	2.6
294.17068	12.5
295.17453	1.3
305.50342	0.3
320.14987	4.4
321.15231	0.6
338.16074	28.5
339.12637	0.4
339.16354	2.9
351.68848	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45894	0.7
58.30799	0.7
59.01377	100.0
60.01715	1.4
60.47276	0.9
69.72372	1.7
69.72783	3.8
71.01379	4.2
73.02934	1.0
73.86172	0.7
78.32008	0.8
85.02948	2.6
89.02425	1.7
90.70504	0.9
93.03458	1.1
97.42988	0.9
101.02453	3.1
113.02436	4.2
115.07649	68.2
116.07163	8.0
116.07970	2.8
119.03493	1.9
129.09207	2.2
129.56561	0.8
129.63370	0.7
146.97655	0.8
157.08705	2.3
161.04466	2.5
184.07005	0.7
191.05602	6.9
256.85413	0.9
277.12836	1.7
294.17221	1.0
338.16043	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	337.114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
57.03444	1.0
57.26964	0.6
59.01377	18.2
61.98809	1.0
67.01881	3.3
67.27186	0.6
69.03474	1.7
69.28688	0.6
69.78545	3.6
71.01382	12.5
72.99294	2.5
73.00870	0.7
73.02957	1.8
75.00877	7.2
77.06796	0.7
83.05022	1.2
85.02950	15.5
87.00880	9.5
87.04514	61.3
88.04874	1.5
89.02438	4.0
93.03459	19.6
94.03758	0.8
95.01386	2.2
99.00882	6.0
101.02434	2.5
103.00348	1.0
107.75632	0.7
111.04498	3.1
113.02435	12.2
115.00381	0.9
117.01893	1.8
119.05039	7.8
120.05328	0.9
122.06142	1.6
127.04032	1.1
129.01945	1.9
136.07678	1.1
145.02963	2.0
149.04832	1.5
155.03419	0.9
163.04010	6.9
164.07198	2.3
173.04543	9.5
175.02483	2.0
177.10233	1.0
181.49432	0.7
189.06767	0.9
191.05606	100.0
192.06033	4.4
199.08525	0.7
210.49654	0.8
219.11476	1.2
229.09778	2.5
231.05139	1.0
237.12071	0.8
243.11316	1.6
247.10762	1.5
249.06129	7.7
250.06721	1.2
270.10135	0.7
271.10892	6.2
277.12265	1.8
283.10928	0.9
289.11887	2.7
301.11972	3.9
316.10077	0.7
319.13382	3.4
337.11383	30.1
337.14987	6.8
338.11703	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0929
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
52.64668	0.2
57.03444	0.3
59.01387	2.4
62.25586	0.2
63.26864	0.2
67.01890	0.7
69.03443	0.4
69.52108	1.8
71.01382	1.4
73.02971	0.4
81.03461	0.3
83.05019	0.3
85.02949	7.8
87.00871	2.4
89.02456	0.6
93.02865	0.4
93.03459	6.3
98.20672	0.5
101.02450	0.4
109.02941	0.6
111.04514	1.3
111.50352	0.3
113.02419	0.6
119.03487	0.3
119.05013	1.8
127.04016	2.3
145.02939	1.3
163.04013	1.8
171.03012	0.7
173.04544	2.4
191.05611	100.0
192.05966	3.0
198.40514	0.3
203.05949	0.3
337.09326	1.9
337.15115	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41966	0.3
57.81009	0.2
59.01376	3.9
59.24330	0.3
60.99300	0.5
64.51965	0.2
67.01884	0.8
69.03452	0.3
69.52593	1.6
71.01385	2.6
72.04092	0.3
73.33489	0.3
73.49313	0.3
81.03446	0.4
83.05041	0.3
85.02947	6.9
87.00876	2.3
89.02455	0.9
93.03454	6.1
94.03754	0.4
98.20604	0.6
99.04522	0.5
101.02438	1.1
103.29082	0.2
109.02922	0.5
111.04536	1.8
113.02438	0.7
114.89487	0.3
119.03500	0.7
119.05013	2.2
127.04027	1.8
145.02966	1.1
163.04034	2.3
171.02969	0.7
173.04535	1.8
177.57910	0.3
191.05606	100.0
191.77037	0.3
192.05951	4.8
197.97511	0.3
225.95932	0.3
281.62140	0.3
337.09174	1.7
337.15118	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	335.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06506	3.9
59.01379	83.3
61.94603	4.4
66.24329	4.1
69.82289	16.0
86.98073	3.4
99.00645	15.8
183.03023	5.2
253.21729	100.0
254.22076	9.7
312.43771	4.2
335.22061	84.3
336.22339	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	335.2228
Annotation	Vitexifolin E
Peak:m/z	Relative Intensity
50.20855	1.6
59.01377	100.0
69.55080	9.5
75.87009	1.3
96.96000	1.3
109.48335	1.2
113.31774	1.4
183.02942	2.9
185.01123	1.6
190.58838	1.5
212.84766	1.4
268.92233	1.5
275.20139	24.0
276.20560	3.2
293.21280	12.7
335.22232	7.0
336.25705	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	337.0927
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
57.03439	0.5
57.88258	0.3
59.01368	0.7
60.99301	1.0
66.31916	0.3
67.01888	3.3
69.03458	0.9
69.88464	0.3
69.96126	1.5
71.01381	1.5
77.57153	0.4
81.03454	1.0
83.05017	1.1
85.02952	5.5
87.00872	5.8
93.03459	20.9
94.03792	1.0
99.00867	0.7
99.04523	0.5
106.27206	0.4
109.02959	0.7
111.04533	2.8
113.02429	0.4
117.03416	0.4
119.05015	7.8
120.05338	0.6
127.03975	1.0
127.63924	0.3
128.96065	0.3
129.01952	0.6
143.80424	0.4
145.02960	1.6
155.03496	0.7
163.04001	8.1
164.04308	0.6
173.04552	9.8
183.67503	0.3
191.05605	100.0
192.05949	4.2
251.94231	0.4
281.54541	0.3
337.09192	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	335.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78795	0.5
55.01876	1.6
57.03435	1.9
58.00571	0.6
59.01106	1.0
59.01382	12.2
60.15650	0.6
61.98818	0.9
69.03409	0.7
70.17065	2.3
70.74581	0.5
71.01382	12.1
72.99304	1.0
73.02954	5.1
73.04066	1.1
76.31010	0.5
80.05057	0.6
81.64943	0.6
83.01397	2.7
85.02951	5.4
86.00089	0.5
87.00888	2.0
89.02456	1.5
95.01398	1.1
99.00878	1.7
101.02444	7.0
111.00888	2.3
113.02461	2.5
126.10094	0.6
127.11285	2.4
130.08742	1.2
131.09123	0.7
147.04483	0.5
152.29512	0.5
155.10774	1.1
164.07143	0.7
168.65443	0.5
173.11823	35.9
174.12148	1.8
179.58260	0.6
185.74586	0.5
211.61324	0.5
258.78833	0.5
261.81525	0.5
317.15973	2.0
335.17130	100.0
336.17493	9.1
344.25922	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01720	0.9
62.40989	0.6
69.38923	0.8
69.39330	4.1
71.01389	1.4
85.02924	0.9
98.19901	1.3
101.02473	0.8
113.02489	2.1
113.06087	55.7
114.06431	2.1
127.07681	1.2
155.07150	0.7
160.79123	0.7
161.04558	1.6
166.05110	1.4
210.04176	1.0
275.11423	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	335.1498
Annotation	Illudacetalic acid
Peak:m/z	Relative Intensity
50.42041	1.1
55.01860	1.4
57.03448	28.7
58.53549	1.3
59.01369	4.5
62.27008	1.3
70.76272	2.8
71.01373	2.2
73.02979	1.3
79.05551	1.3
83.05022	7.5
95.05016	2.8
98.30019	1.2
105.07096	4.4
107.05023	4.2
121.06615	2.4
133.23596	1.1
135.04515	5.8
135.08076	1.9
137.09708	2.5
137.89005	1.2
145.10211	7.6
151.11302	1.3
161.09752	1.7
163.11243	3.0
177.41637	1.2
183.02888	1.5
185.13309	2.1
203.14465	2.3
211.14882	9.2
213.12820	2.5
229.12299	1.3
229.15933	3.9
240.11848	1.5
247.17174	2.5
272.89368	1.4
273.14981	11.3
274.15274	2.0
276.12454	1.9
291.15991	74.5
292.16501	8.1
335.14957	100.0
336.15189	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	334.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01344	38.4
61.98835	100.0
70.81088	83.8
88.04065	50.9
96.95991	33.2
137.09547	29.8
167.05830	34.1
194.73378	33.6
240.24290	28.5
248.12999	29.8
290.12222	78.2
291.13391	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.5
59.01377	9.7
63.07178	1.0
67.01962	0.9
71.01375	4.4
71.53185	1.3
72.00911	3.2
73.02945	2.1
73.04067	23.8
83.02506	5.3
85.02943	1.6
89.02425	1.1
90.48820	0.9
91.05518	5.1
92.17091	0.9
100.51814	1.1
101.02441	2.4
110.86081	0.9
112.07669	2.3
114.05633	1.1
118.06624	2.4
129.10349	18.5
130.08734	11.6
135.04564	1.4
137.09665	1.0
139.08784	4.3
141.10332	6.1
143.11938	1.1
147.04524	24.7
148.04860	1.2
154.15466	1.0
164.07166	53.8
165.07491	3.2
168.11436	7.2
169.09831	16.8
171.10181	1.1
173.11786	3.4
182.03970	1.1
183.02980	1.7
186.12463	53.7
187.12788	1.6
194.04642	1.6
198.12187	2.0
203.08272	2.7
216.13821	4.6
233.16570	13.5
273.14862	2.5
277.15747	1.6
290.18698	8.5
291.15988	3.6
291.18878	1.2
334.17700	100.0
335.14380	3.8
335.18045	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	333.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	7.5
56.52075	0.9
57.03442	4.0
59.01379	32.7
59.80824	1.0
60.01722	1.3
62.40707	1.0
69.03433	1.6
69.95380	4.3
69.95753	2.2
71.01379	43.3
72.99317	2.2
73.02940	19.3
73.04075	2.6
77.24488	1.1
78.95860	1.6
79.98857	1.2
83.01386	11.3
83.02484	1.2
85.02948	23.6
86.00116	3.3
87.00887	2.3
89.02435	5.6
95.01380	2.5
95.95216	1.0
96.96024	1.2
97.02979	1.6
98.19971	1.6
99.00861	5.7
99.67872	1.0
100.96924	1.2
101.02441	44.4
111.00914	2.0
111.71139	1.0
113.02444	17.7
121.53671	1.1
125.02440	1.1
129.01929	1.2
130.08757	5.0
152.99599	1.1
159.03015	2.5
161.04556	8.2
171.10278	4.5
179.77481	1.1
216.13940	2.5
289.16428	5.5
290.10501	1.5
308.45538	1.3
333.15594	100.0
333.18997	4.6
334.16138	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	333.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.5
56.61267	0.4
57.03446	1.0
58.00595	0.9
59.01379	21.2
69.78139	1.8
71.01379	15.9
72.99322	1.3
73.02944	2.9
78.13499	0.5
83.01382	2.2
85.02951	7.5
87.00906	2.1
89.02439	5.8
89.02956	0.6
92.05679	0.4
95.01384	1.2
95.95211	1.2
97.02977	0.6
99.00888	1.4
101.02441	11.2
101.03107	0.7
111.00909	1.0
113.02451	4.4
119.03472	1.3
125.09691	0.6
133.86404	0.5
134.03757	0.8
135.04079	0.7
141.09225	1.0
149.06047	0.5
150.06432	0.6
153.09183	3.0
161.04610	0.5
164.07175	0.9
171.10260	20.8
172.10606	1.1
186.12468	1.0
229.21346	0.5
244.67802	0.5
301.10403	0.8
315.14508	2.5
316.14688	0.7
333.15604	100.0
334.15811	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	333.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	21.2
61.98827	19.1
69.29467	6.9
69.29887	2.3
71.01387	6.5
73.02956	4.1
83.01384	1.2
85.02956	3.6
87.00881	1.3
89.02442	4.7
95.01411	1.8
96.95990	2.0
98.20626	1.4
101.02447	4.6
107.04968	1.3
107.08697	0.9
109.06599	17.0
113.02439	4.1
113.38581	1.0
119.03487	1.1
119.04995	1.5
127.07655	100.0
128.03479	1.7
128.07991	3.4
131.07138	2.4
141.09264	1.0
144.22649	0.9
151.07680	5.2
155.10742	1.9
161.04567	1.3
171.06628	84.3
172.07011	4.4
195.06664	1.8
195.10178	1.4
213.07715	3.5
241.10635	1.2
242.51884	0.9
259.11768	1.9
271.10794	1.3
277.07800	1.0
307.81870	1.0
333.06033	2.0
333.10248	2.1
333.15384	5.7
333.19275	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	333.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	0.6
59.01381	5.4
61.98829	100.0
65.65373	0.5
71.01389	2.7
71.12326	1.0
72.99303	0.5
73.02943	0.6
74.02485	0.6
74.99113	0.6
82.02953	0.4
85.02956	1.1
88.04051	1.0
89.02435	2.7
90.98603	1.2
91.55712	0.4
99.05659	0.6
101.02451	1.4
109.06540	1.0
113.02489	1.5
119.03517	0.8
122.06128	0.5
127.05907	0.8
127.07661	4.5
143.03619	0.7
143.04604	3.2
165.82994	0.5
171.06641	3.0
189.05917	1.5
195.47382	0.5
218.04543	0.8
271.10977	0.4
333.10580	0.8
333.18939	2.8
334.17987	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92233	2.4
62.82624	2.2
65.86480	2.5
66.03448	2.8
68.70645	2.2
71.01385	2.9
71.09527	2.5
71.50432	5.0
72.00900	7.4
74.02473	46.5
77.80457	2.1
78.95901	8.6
81.02182	6.1
82.01701	3.3
82.02985	12.5
84.19199	2.2
86.02466	6.3
87.05665	4.6
93.97054	2.5
94.66119	2.3
96.00906	18.0
98.02486	4.7
104.03534	60.0
109.01703	6.4
110.02478	3.7
112.04063	4.2
113.03576	24.7
114.01912	3.3
120.03208	3.2
129.10347	4.3
130.08719	8.3
131.04575	3.4
138.09232	5.7
139.08777	94.6
140.07167	8.6
143.11845	7.9
148.02805	11.8
152.99539	5.9
153.10332	8.3
155.11897	18.6
165.10390	4.2
166.07387	4.0
166.08727	52.8
169.09805	10.2
177.10326	6.2
179.11894	20.3
181.18243	2.5
183.11337	6.1
186.12437	6.5
187.10892	18.1
191.11996	2.6
194.08180	7.1
199.10788	4.4
205.09801	25.8
209.12894	10.6
216.13446	4.3
217.11916	12.2
222.12433	3.1
223.10841	12.5
227.10316	9.9
235.10858	10.1
240.13516	4.5
241.01199	3.6
242.87358	2.8
252.13490	10.4
253.11894	23.9
267.09808	42.8
270.14517	6.4
271.20782	2.3
284.12418	9.5
297.10907	100.0
298.11060	5.2
314.13577	75.9
315.11835	10.3
332.14590	51.3
333.05838	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	331.2488
Annotation	9,10,18-Trihydroxyoctadecanoic acid
Peak:m/z	Relative Intensity
57.03435	1.3
59.01379	5.3
71.52047	0.7
84.82104	0.7
85.02939	0.8
96.95983	0.8
125.09712	2.0
127.11304	6.6
143.10817	1.0
155.10764	1.8
157.12331	3.8
171.10251	2.3
201.11328	1.2
228.92461	0.8
295.22870	1.6
311.22195	0.9
313.23776	6.1
329.23389	5.4
331.19339	4.7
331.24893	100.0
332.25220	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	332.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.4
68.01406	2.2
68.65290	0.8
69.51735	2.2
69.52167	2.8
71.01383	2.1
82.04842	0.6
82.17627	0.8
85.02961	1.0
89.02438	1.5
95.02512	29.4
96.02824	1.2
96.96001	1.4
97.04150	0.6
101.02441	1.0
107.02518	1.6
107.05005	0.8
109.02883	0.7
111.02048	0.6
113.02499	1.1
122.03579	1.4
123.01977	1.1
123.04425	1.6
124.05162	3.8
132.02176	0.7
134.03743	100.0
135.04018	4.8
141.07362	0.7
147.04524	1.3
148.05316	2.5
149.06079	84.9
150.01866	1.1
150.03091	20.9
150.06409	3.3
159.03235	0.7
160.01639	4.9
160.04088	0.7
161.02390	3.1
175.04005	10.9
176.03346	3.4
177.04300	5.2
186.12363	0.9
189.04277	4.4
190.04990	0.9
190.15030	0.8
192.06660	4.0
204.06647	7.0
204.41899	0.6
229.06261	1.0
242.06952	1.5
243.24481	0.6
244.11697	2.2
257.09424	3.4
273.08609	1.5
273.17075	0.7
285.07507	3.3
300.09897	48.2
301.10114	4.5
315.18314	1.1
317.10342	0.8
332.12503	36.5
333.12808	4.9
333.19098	2.0
336.06488	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1914
Annotation	Ptilodene
Peak:m/z	Relative Intensity
57.03452	27.0
58.03788	0.8
59.01394	1.7
61.01840	0.7
65.03950	0.8
70.72928	1.6
71.05023	3.0
79.04411	0.8
79.05107	1.4
79.05522	7.4
81.03453	0.9
83.05025	8.5
97.06617	1.5
109.06567	1.6
111.08148	1.1
119.08670	3.8
121.06552	1.2
123.08154	1.1
127.81579	0.7
129.07101	1.2
133.06557	0.8
133.10245	1.9
135.08170	1.2
137.09715	3.6
144.06618	0.7
145.10249	4.1
149.09712	1.4
155.10748	0.9
185.13402	1.9
187.11281	3.2
203.14372	1.9
215.80997	0.7
225.16577	1.3
235.14903	1.4
243.17601	0.9
251.18059	3.7
253.15970	2.1
264.50757	0.8
269.19073	4.0
331.19153	100.0
331.23694	6.8
332.19464	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	331.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27755	1.0
52.79818	0.9
54.02078	0.9
59.98520	1.1
71.01382	18.3
85.02905	1.1
125.09743	2.6
125.99341	3.6
133.90819	0.8
136.46684	0.9
141.09193	6.5
165.01668	7.8
169.01486	1.2
181.08461	3.3
182.24992	1.1
183.10023	2.4
193.04785	1.6
193.08484	14.3
194.08852	1.1
197.08009	1.2
209.07957	7.2
221.07913	6.6
222.08725	100.0
223.09486	47.3
224.09874	2.2
225.07417	2.3
229.23639	1.2
236.10231	2.0
241.06795	1.2
243.28697	1.1
248.10460	1.8
254.07755	9.3
262.11743	2.3
303.19595	2.3
313.17844	3.2
316.07852	0.9
331.06726	1.2
331.18970	33.4
331.23022	1.8
332.19446	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	331.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	27.9
69.19842	6.4
71.01395	0.9
78.95901	0.8
98.19881	1.6
104.17487	0.6
152.99623	1.1
169.52025	0.7
205.19585	0.8
231.17595	0.7
249.18584	100.0
250.18883	10.9
331.18921	13.7
332.19064	1.3
339.02939	0.7
341.35355	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2033
Annotation	Ser Leu Ile
Peak:m/z	Relative Intensity
59.01370	3.8
61.95614	0.6
69.39597	1.3
69.40004	3.9
71.01385	1.3
71.02497	0.7
72.00874	0.7
72.15867	0.6
73.04067	12.2
76.16605	0.5
82.02981	3.0
82.06596	3.0
83.02523	2.3
84.08202	0.6
85.02944	1.2
87.00885	1.6
88.04032	1.0
96.00939	0.7
97.06592	0.7
101.02463	0.7
103.05153	1.3
104.03583	0.7
114.09306	0.8
120.54890	0.6
125.10834	0.9
129.10339	1.7
130.08736	100.0
131.09082	2.8
138.09273	0.9
139.08780	2.6
140.07179	7.4
141.10327	3.9
143.11862	2.2
164.03546	1.1
168.03867	0.8
169.09818	8.3
181.09833	2.8
182.08276	1.0
182.15572	3.7
186.12415	0.7
199.10873	15.1
199.18152	37.1
200.18454	1.9
243.17133	2.9
256.20309	16.7
268.20059	0.7
269.15295	0.8
286.16760	1.2
287.10233	5.6
295.12900	0.8
300.19254	17.4
301.19629	1.8
305.51227	0.6
312.19293	2.9
330.20316	80.8
331.08890	1.1
331.12253	1.0
331.20593	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	330.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41618	0.6
55.01889	0.6
58.02973	0.9
59.01380	7.6
66.03493	0.7
70.20394	0.5
71.01384	3.3
71.02466	0.7
71.05026	0.9
73.02948	1.0
73.04069	5.7
74.02479	3.9
80.05048	0.7
85.02972	1.9
87.00889	1.1
88.04042	0.8
89.02456	1.3
97.06611	1.0
98.20758	1.1
99.00894	1.7
101.02435	1.6
104.03529	1.4
113.02445	0.9
118.83572	0.7
122.06121	0.9
125.09721	1.2
129.10310	1.6
130.08740	100.0
131.09085	3.3
139.08774	3.9
140.07193	5.9
141.10324	4.1
143.11905	5.7
155.08279	0.7
158.64417	0.7
169.09811	9.2
181.09821	1.6
182.15575	1.1
191.05638	0.8
199.10875	8.5
199.18153	35.1
200.11168	0.8
200.18506	2.2
214.07501	0.8
243.11362	3.7
243.17139	2.0
256.20294	18.5
257.20602	1.1
284.82266	0.9
286.16541	1.5
287.10516	1.6
300.14447	0.9
300.19266	20.1
301.19562	0.9
312.14752	0.8
312.19247	2.4
324.83121	0.7
330.15897	5.3
330.20297	84.1
331.14435	1.1
331.20828	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	329.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51010	0.3
56.77023	0.3
57.03434	0.7
58.00588	1.8
59.01375	1.4
61.68202	0.4
66.33410	0.4
69.24639	2.3
69.25066	1.1
73.02937	0.7
90.37805	0.3
97.06605	0.8
98.20678	0.8
123.08141	0.5
125.09723	6.6
127.11291	9.7
137.09720	1.4
139.11295	3.6
143.10814	0.5
145.75493	0.4
153.09181	0.5
155.10760	4.0
157.12328	1.2
165.09163	2.8
171.10272	22.6
172.10600	1.4
183.10234	1.2
185.11893	0.6
199.09712	2.3
201.11320	42.4
202.11714	2.8
211.13380	1.0
229.14211	0.4
275.20087	1.2
293.21216	3.2
294.21466	0.6
302.86282	0.4
311.22314	3.4
329.23315	100.0
330.23663	11.3
330.27643	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2331
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
54.80388	0.8
57.03442	0.8
58.00588	1.8
59.01368	1.2
63.32413	0.6
64.35777	0.7
98.19856	1.4
99.08125	0.8
110.27178	0.7
121.10226	0.7
125.09679	4.1
127.11283	10.9
137.09625	1.4
138.45491	0.8
139.11293	5.3
151.60591	0.6
153.09155	0.6
155.10745	2.7
163.24643	0.6
165.09172	2.2
171.08798	1.5
171.10272	31.6
172.10623	2.1
199.09737	1.7
201.11311	29.7
202.11610	1.7
228.97157	0.8
275.20151	1.1
293.21115	2.1
311.22287	2.8
329.23300	100.0
330.23654	11.6
334.14883	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60067	0.6
52.46620	0.6
57.03434	0.9
57.55920	0.6
66.89973	0.6
69.03446	0.8
71.28519	1.2
86.01591	0.6
99.08151	8.0
112.96915	0.6
113.63238	0.6
125.09724	1.3
127.11276	4.8
128.12889	0.7
137.09738	1.4
139.10225	0.8
139.11288	12.3
157.12329	0.8
171.10266	25.5
172.10608	3.3
173.10703	0.9
183.13914	4.0
193.12213	0.7
209.11787	1.1
211.13373	18.4
229.14395	8.5
230.14648	0.7
293.21353	1.5
310.44241	0.6
311.21951	0.9
329.23297	100.0
330.23663	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	329.124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.6
73.02933	1.1
80.80048	0.7
85.02950	81.3
86.03311	1.6
87.99957	0.7
90.28132	0.6
99.00856	1.0
129.01942	100.0
130.02257	2.5
137.09743	1.6
155.10774	27.9
156.11111	1.4
171.10283	2.4
193.73962	0.7
199.09740	13.5
201.11351	1.5
203.70535	0.6
232.00807	0.6
269.07175	0.8
281.23065	0.8
318.49207	0.7
324.54819	0.6
329.12433	1.5
329.23257	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	329.1143
Annotation	Miraxanthin-III
Peak:m/z	Relative Intensity
59.01384	5.1
64.52857	1.0
69.52913	6.1
71.01386	1.8
78.32430	0.9
82.02991	10.7
87.00894	1.3
89.71754	1.1
96.96017	4.2
98.19908	2.0
101.02431	0.9
106.06633	11.8
108.04529	2.8
110.02463	2.0
122.06122	3.3
128.03496	1.8
129.60352	1.2
132.04559	32.0
133.05344	5.4
134.06126	44.3
135.06476	1.7
135.35690	1.0
136.04039	4.4
149.04839	2.8
159.44354	0.9
160.04037	23.9
161.04834	40.5
162.05611	97.6
163.05978	5.9
164.03653	1.0
176.03487	4.2
182.08263	1.2
182.42769	1.1
193.03793	63.5
194.04231	4.1
212.07205	7.8
213.07913	3.7
214.08754	6.2
226.08679	2.6
241.06183	10.3
242.06908	1.2
242.11775	5.3
243.11320	4.6
254.07104	1.3
255.07791	1.1
257.09274	11.5
268.09735	3.8
269.09271	8.7
285.12436	87.1
286.12717	9.0
291.94803	1.2
311.10443	12.3
329.11392	100.0
330.11694	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	329.0877
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.42074	0.2
57.03444	0.7
58.82741	0.2
59.01371	1.8
59.78186	0.2
65.00329	0.5
69.03453	0.5
69.56242	1.2
70.31615	0.2
71.01366	0.6
73.04075	0.7
74.02500	0.2
75.00877	0.9
81.03451	5.1
83.01387	3.3
85.02946	0.3
87.05717	0.2
89.02435	0.4
95.05042	1.1
101.02447	0.4
105.43047	0.2
107.01387	0.7
108.02164	1.0
111.04501	0.2
113.02446	0.5
116.07174	1.0
120.00509	0.2
123.04524	33.3
124.04858	1.1
125.01526	0.4
125.02445	6.6
125.07149	0.6
127.08778	0.4
128.03555	0.4
129.10341	0.3
130.08734	8.5
142.92482	0.2
147.04483	1.1
148.04810	0.4
149.02414	1.1
149.05064	0.4
151.00357	2.3
152.01202	0.3
153.06691	0.3
155.08273	1.2
157.81049	0.2
163.03954	0.7
167.03490	100.0
168.03835	4.0
179.03604	0.2
185.15015	0.3
185.16592	3.9
191.03421	0.7
197.05705	0.3
199.10892	0.4
207.61208	0.3
209.04550	1.2
229.15552	0.6
242.18704	1.5
243.16782	0.3
286.17676	4.6
299.02081	0.3
327.34045	0.3
329.11292	0.9
329.15952	0.8
330.16602	0.5
330.20319	6.7
330.24246	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0878
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.01871	1.8
57.03439	1.6
58.00582	4.2
59.01380	99.5
60.01714	1.6
64.54408	1.4
64.54775	1.4
67.01875	2.8
69.03443	10.4
70.94112	1.9
70.94440	2.7
71.01381	47.4
72.99316	2.8
73.02956	1.4
74.02477	7.0
77.03205	1.6
78.57873	2.0
83.01388	2.4
85.02959	10.4
85.23483	1.8
88.04036	3.3
89.02443	47.2
91.01884	1.8
95.01402	5.7
97.02979	2.1
99.00890	4.3
101.02448	25.4
104.03532	3.8
106.18575	1.5
107.01400	3.4
108.02184	6.5
109.01697	7.2
109.02941	4.2
111.00902	3.1
113.02441	19.8
115.08782	7.8
116.07189	7.4
119.03509	13.2
119.68334	1.5
123.00881	4.1
123.04523	15.5
124.07667	3.3
130.08733	6.3
141.77179	1.5
143.11876	2.1
149.04517	1.9
150.03267	2.1
151.00383	7.0
152.01152	9.7
152.07208	2.4
155.90680	1.5
166.02698	8.7
167.03485	92.0
168.03844	3.5
171.15010	1.8
179.47862	1.6
181.05006	12.4
184.04855	1.5
185.00899	3.2
194.02179	5.2
196.06165	3.6
197.12962	2.5
203.92653	1.6
209.04559	54.0
210.04826	3.3
213.08853	1.6
225.16074	3.5
239.05676	6.2
241.52301	1.5
251.13971	1.9
256.20486	1.9
268.20270	3.4
269.06592	13.3
270.07150	1.6
290.25845	1.6
293.12418	6.2
295.12973	9.2
300.19376	4.3
312.15622	6.7
329.08780	100.0
330.09201	8.3
330.16852	3.0
330.20386	6.7
340.85110	1.9
347.84204	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	329.0879
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.11922	0.4
59.01371	1.2
67.97095	0.5
69.80347	2.3
71.01386	1.4
80.02682	0.5
88.04058	1.7
94.65173	0.5
95.37684	0.5
98.19899	0.9
108.02175	58.6
109.02473	1.7
116.15228	0.5
123.04527	23.1
124.04854	0.9
127.05127	0.6
128.03586	0.7
136.03391	0.4
149.65839	0.5
152.01151	43.0
153.01436	1.6
166.50294	0.5
167.03491	100.0
168.03854	4.4
223.10909	0.6
329.08780	0.6
329.18298	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42529	0.9
55.01867	4.5
59.01369	2.8
60.19558	0.9
65.27973	0.9
67.01900	1.5
69.03458	100.0
69.96646	3.1
70.03791	2.6
71.01385	3.0
72.98872	0.9
72.99301	2.5
74.02485	2.1
79.01900	3.5
85.02945	2.3
94.83788	0.8
95.01373	3.6
97.02949	20.7
99.00881	27.0
104.03504	1.0
111.00873	4.7
113.02379	1.0
123.04527	1.0
141.01959	7.1
143.03522	1.1
185.00920	34.7
186.01250	1.5
193.55002	0.9
203.01962	3.4
224.21667	0.9
224.89070	1.1
256.20358	1.0
329.05222	2.2
329.16040	1.3
329.23380	1.0
330.20389	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	329.0214
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01168	0.6
59.01378	39.5
61.98842	3.3
70.25793	0.5
70.90320	1.1
70.90639	0.8
82.95438	0.7
87.00892	1.2
101.00974	0.9
115.02498	1.6
117.00436	3.2
125.00941	1.1
126.98875	1.8
131.08037	0.6
143.02022	3.7
157.03540	1.3
159.01494	61.5
160.01604	5.0
168.99918	6.6
170.97871	1.0
184.92810	0.9
187.00978	100.0
188.00610	10.3
198.99577	1.3
201.02544	14.0
202.02740	1.1
217.00493	0.7
232.79420	0.6
241.00510	2.2
242.00850	0.6
259.01785	0.8
287.01138	2.4
311.01166	1.9
329.02194	2.5
329.23242	1.1
330.02286	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26818	0.6
59.01393	3.3
65.24115	0.6
66.03481	1.1
69.03461	0.9
71.01406	1.7
74.02470	1.2
83.05036	1.0
88.04060	0.9
89.02458	0.7
93.03427	0.7
97.02957	0.6
97.03683	0.6
101.02475	0.8
108.02211	0.9
114.05665	1.0
115.08790	9.7
116.07182	26.2
117.07548	1.3
121.06600	0.8
125.07199	0.7
129.10355	2.0
130.08742	100.0
131.09099	2.7
139.08893	0.7
143.11827	0.7
149.02422	1.3
155.08310	1.2
165.05556	2.6
166.05937	2.6
167.03476	4.4
167.11899	4.9
168.13942	1.3
169.13464	3.1
171.15021	7.6
172.15251	1.1
174.11377	0.9
181.13408	1.4
185.16589	20.3
186.16913	1.3
197.12936	10.9
211.14546	4.1
214.15625	0.9
227.10231	1.0
239.54214	0.7
241.18199	0.8
242.18768	0.7
273.16959	1.0
273.32651	0.7
275.00357	0.6
284.11166	1.3
284.15991	0.8
284.23428	18.1
285.23822	1.3
328.22403	96.2
329.11124	1.2
329.16632	0.9
329.22729	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	328.0451
Annotation	cAMP
Peak:m/z	Relative Intensity
59.01374	0.4
61.98830	0.7
65.01435	0.2
70.11534	0.6
71.01373	0.2
72.00937	0.3
73.26881	0.2
78.95913	0.5
88.04011	0.2
92.02540	1.1
92.63123	0.2
107.03645	4.5
114.05598	0.3
115.00362	0.2
127.97464	0.2
128.07146	0.2
130.08757	1.4
131.09097	0.2
134.04730	100.0
135.04224	0.3
135.05179	2.6
154.87961	0.2
160.98578	0.2
167.03445	0.3
168.05142	0.4
168.99942	0.2
170.00012	0.2
170.06744	0.5
185.98743	0.2
186.06256	0.7
188.07787	1.9
200.07802	0.2
202.09352	1.8
203.09555	0.3
254.05193	0.2
268.06937	0.2
285.03198	0.2
286.07861	0.6
328.04532	2.2
328.08603	0.4
328.14404	0.6
329.04868	0.3
329.08878	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88533	0.3
55.01876	0.9
57.03453	3.1
59.01378	0.5
61.88379	0.3
63.42510	0.3
69.03458	4.2
69.22066	3.1
69.22392	0.3
71.01349	0.7
71.65510	0.3
71.74878	0.3
73.02940	0.5
81.03446	0.3
82.34618	0.3
83.01376	0.4
83.05034	0.8
84.02155	0.8
85.02949	13.3
86.03307	0.3
95.05027	0.9
97.02964	1.6
97.06575	3.3
110.03667	0.5
111.04553	0.4
111.08206	0.4
119.08645	0.8
125.09718	1.5
127.11287	2.0
137.09724	4.2
138.10051	0.5
138.78110	0.4
149.88557	0.3
151.11365	0.4
155.10684	0.7
165.12804	0.7
167.10764	0.3
167.14444	1.1
171.10260	36.0
172.10622	2.1
172.11894	0.3
177.12756	0.8
181.12311	0.5
183.13901	3.2
184.14192	0.4
185.11874	0.9
193.12291	1.1
197.11818	0.6
199.13260	0.4
201.11365	2.6
209.11815	0.9
211.13382	15.5
212.13638	0.8
220.81473	0.3
221.11768	2.1
229.14413	8.4
230.14682	0.6
239.12930	1.6
247.20642	0.6
273.18521	0.6
291.19659	2.9
292.19971	0.4
309.20691	1.2
327.21735	100.0
328.22107	11.6
328.26013	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03441	10.7
59.01369	3.5
59.17182	2.2
69.03450	7.5
71.01379	3.5
71.05017	27.6
71.54446	3.3
78.94479	2.2
81.03473	3.9
83.05038	14.4
95.05038	4.6
97.02950	5.7
97.06605	18.6
99.00881	28.4
99.08160	18.4
101.09690	2.3
109.06592	3.7
110.03764	3.6
111.14030	2.7
123.08160	13.6
125.09728	94.8
126.10054	2.9
153.12900	3.0
163.11270	29.3
171.10214	8.8
181.12335	81.3
182.12601	5.5
203.37575	2.7
207.10260	36.9
211.13480	3.4
225.11320	92.4
225.44856	2.8
226.11659	8.0
243.12343	6.3
309.20679	4.2
327.21771	100.0
328.22156	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	327.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05115	0.5
57.62912	0.5
59.01377	1.6
69.03458	3.5
69.95169	2.6
83.05019	0.7
103.04578	0.5
108.05809	1.4
115.25175	0.5
119.08653	6.4
125.09708	4.6
127.11327	2.7
135.08165	2.2
137.09723	25.9
138.10027	1.4
146.45000	0.5
153.97304	0.6
165.09189	1.2
171.10271	100.0
172.10623	6.7
176.12523	0.8
183.10199	0.8
185.11777	0.7
197.11885	1.2
201.11331	25.4
201.20049	0.5
202.11642	2.3
213.11313	4.6
231.12511	0.7
231.38266	0.6
273.18610	1.2
291.19617	2.1
309.20743	6.5
310.21268	1.1
327.21750	37.5
328.22055	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	327.2177
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
51.75324	0.9
57.03455	9.5
58.00589	2.9
59.01355	1.4
70.08425	3.1
71.01374	1.2
71.05022	0.8
73.02954	0.8
82.74272	0.8
85.02962	0.8
90.83202	0.9
97.06580	1.6
98.20263	2.0
113.09731	27.0
114.10056	1.2
125.09728	13.5
127.11292	11.5
137.09721	3.6
139.11253	1.6
141.09192	2.6
151.11293	4.3
153.09180	2.1
155.10820	5.5
165.09181	3.8
167.10773	1.5
169.12361	1.6
171.10265	10.3
172.10526	1.0
177.09233	1.2
183.10263	2.8
185.48888	0.9
195.10240	5.1
199.09735	3.7
201.11324	96.3
202.11708	5.5
213.11319	56.0
214.11679	4.1
227.12755	1.8
232.08493	0.9
247.20758	1.1
291.19669	7.8
292.20041	1.6
309.20691	18.0
310.21036	2.3
325.86292	1.0
327.21762	100.0
328.22098	14.3
331.30972	0.9
341.24457	0.9
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	Unknow
Peak:m/z	Relative Intensity
57.03455	3.0
59.01373	0.7
67.49836	0.4
69.03448	3.3
70.65955	1.6
71.01376	0.7
72.46247	0.5
76.51643	0.6
83.05042	1.7
84.02173	0.6
85.02953	11.6
95.05028	0.7
97.02979	1.4
97.06591	4.4
119.08649	0.7
125.09733	1.7
125.44003	0.5
127.11302	2.7
137.09740	2.8
153.09268	0.7
154.12941	0.5
155.14322	1.0
165.12782	0.7
167.14406	1.3
171.10268	26.8
172.10623	2.0
177.12881	1.6
183.13934	4.2
184.14270	0.7
185.11836	1.6
193.12352	1.2
197.11830	0.6
200.58965	0.6
201.11276	1.5
209.11807	2.4
211.13399	25.1
212.13683	1.8
221.11787	3.8
229.14452	14.3
230.14786	1.0
239.12810	2.1
279.33282	0.6
291.19690	4.1
291.44296	0.6
309.20578	1.5
327.21750	100.0
328.22070	8.4
329.00760	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	5.8
58.02930	0.7
59.01373	4.1
63.24589	0.7
67.39861	0.6
69.03449	2.2
69.79900	0.6
71.00330	1.4
71.01359	1.6
71.04993	0.7
83.05019	0.9
84.02154	1.2
85.02456	1.3
85.02946	16.6
85.06591	0.9
90.42637	0.6
95.05027	1.3
97.02960	1.3
97.06594	4.1
111.08065	0.8
113.06120	1.0
125.05997	0.7
125.09726	1.9
127.11301	1.2
130.98213	0.7
137.09689	2.4
155.10806	1.3
167.14360	0.7
169.12354	0.9
171.10260	11.2
172.10561	1.2
183.10229	0.6
183.13911	17.7
184.14185	1.1
193.12376	0.9
195.14029	0.9
197.11775	0.7
199.13412	1.4
201.11313	2.5
211.13362	5.1
213.11316	1.7
223.16992	1.8
229.14372	1.3
237.14557	0.7
239.16566	0.7
251.16484	4.1
269.17578	1.8
273.18726	0.9
286.23862	3.1
291.19653	2.4
309.20737	3.8
310.20944	0.8
327.21741	100.0
328.21915	8.1
328.24973	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	327.2176
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.98986	0.7
57.03433	2.7
59.01377	0.8
62.12520	0.6
69.03453	1.8
71.01379	2.6
71.05005	1.1
77.61552	0.6
79.36758	0.7
81.36153	0.6
83.05030	2.0
85.02950	7.7
90.73417	0.7
91.12123	0.7
95.05029	1.5
97.02921	1.0
97.06587	5.3
98.19839	1.7
119.08644	1.2
123.08120	0.7
125.09747	1.9
127.11269	1.3
137.09724	3.2
155.10811	1.5
165.12820	0.9
165.68814	0.8
171.10280	23.7
172.10593	1.2
183.13922	4.2
185.11772	1.2
193.12367	1.0
201.11229	2.1
209.11800	1.3
211.13387	18.6
212.13652	1.5
213.11241	0.8
221.11777	2.9
229.14429	10.6
239.12910	1.8
291.19775	4.0
309.20694	3.1
327.21762	100.0
328.22089	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	327.2175
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
58.00597	0.6
59.01376	1.7
69.03449	4.4
71.88928	0.6
76.89183	0.5
79.03688	0.6
83.05016	0.8
93.58765	0.6
106.42560	0.5
108.05804	1.0
119.08657	5.7
120.09001	0.6
125.09677	3.5
127.11279	3.0
135.08177	2.5
137.09720	21.3
138.10063	1.2
149.20586	0.5
153.09126	0.6
153.70573	0.5
155.10800	1.0
165.09178	0.6
171.10265	100.0
172.10611	5.4
185.11896	0.8
199.09734	0.9
201.11316	24.0
202.11636	1.6
213.11302	3.7
254.81230	0.5
273.18570	1.0
291.19641	2.4
301.40704	0.5
309.20685	6.3
310.20996	0.7
327.21753	39.5
328.22061	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	327.1085
Annotation	Androsin
Peak:m/z	Relative Intensity
58.00591	2.2
58.50810	0.8
59.01381	36.5
60.63596	0.8
65.26205	0.7
71.01379	20.9
71.01779	1.1
71.02974	1.7
72.99317	3.0
78.28101	0.8
83.01377	1.1
85.02953	4.5
89.02442	17.9
95.01398	1.4
101.02438	11.0
103.05535	4.1
113.02444	6.4
114.26331	0.7
119.03495	8.0
119.05003	5.0
127.37398	0.7
137.12141	0.9
139.77596	0.8
142.56056	0.8
145.02989	1.1
147.04518	100.0
148.04881	5.3
161.04633	0.8
165.05580	15.1
165.16370	0.8
179.05667	0.8
208.86617	0.8
327.10846	53.8
328.11154	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	326.961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.2
69.96445	1.3
69.96841	1.7
71.01369	4.3
72.99303	14.3
74.99399	2.5
78.95925	1.7
87.00880	8.3
101.00948	8.2
101.38926	0.7
102.94404	1.2
110.99391	1.3
114.98866	9.3
115.00369	9.6
117.00430	5.2
126.98885	3.7
129.00435	9.8
130.98343	7.8
133.01428	24.3
134.01814	0.7
136.98575	3.1
142.97543	1.3
143.02025	1.0
148.95004	1.1
152.96078	1.0
154.98395	12.8
154.99648	3.0
156.99977	1.1
166.97531	1.0
168.95479	1.0
171.01465	1.0
172.99408	58.8
173.99487	4.2
186.97340	11.5
187.97522	1.4
191.05591	4.6
194.95511	2.1
204.53311	0.8
210.95000	40.1
211.95134	3.0
212.96550	10.7
213.96794	1.4
215.00467	20.8
216.00603	1.8
228.92798	3.9
228.96010	1.2
228.98320	8.7
230.97684	1.4
236.96529	2.6
238.94467	1.7
252.96249	0.8
264.96097	1.8
266.93973	100.0
267.94174	11.1
284.91797	1.3
284.95029	26.8
285.95187	2.5
290.91489	3.4
308.95044	1.1
309.73318	0.7
326.96063	35.2
327.07251	1.4
327.96271	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	325.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24557	0.6
55.86099	0.7
57.03416	0.9
57.28882	0.6
58.11315	0.7
59.01370	2.3
61.44049	0.6
68.61678	0.7
69.03438	0.7
69.20972	1.3
69.21377	5.6
79.95747	1.1
106.65937	0.6
112.75436	0.6
137.09726	0.9
139.11229	0.7
151.11395	1.1
156.20903	0.7
171.10213	2.1
183.01215	22.3
184.01692	1.4
195.13847	1.0
197.02794	20.7
198.03476	2.6
216.00833	0.8
230.02525	1.2
248.46425	0.6
249.22212	0.9
253.09071	0.8
265.21719	1.6
291.19669	1.8
292.18246	1.5
293.21213	12.4
294.21597	1.0
307.19159	1.0
307.22736	0.9
310.21573	3.5
325.18390	68.6
325.23801	100.0
326.18765	8.3
326.24323	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	325.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11876	0.8
59.01363	1.0
70.13351	2.6
97.27217	0.7
97.38391	0.7
125.09714	0.7
139.11270	1.2
150.17494	0.7
167.10796	1.8
171.10347	1.2
183.01198	3.8
195.13844	1.0
197.02794	4.6
199.13301	1.0
230.02325	0.7
245.81966	0.7
265.21671	1.7
293.21231	15.8
294.21606	1.8
310.21558	3.8
325.18430	12.0
325.23819	100.0
326.18784	2.0
326.24170	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	325.2172
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
59.01372	0.6
79.95731	1.0
82.24410	0.5
97.19240	0.6
98.20766	1.0
128.35416	0.5
149.09720	96.7
150.10045	5.4
163.11288	100.0
164.11626	6.2
169.02855	0.5
170.00467	0.8
183.01207	29.0
184.01909	3.4
197.02777	1.1
216.01015	1.6
261.22214	0.6
325.18350	52.6
325.21768	96.5
326.18723	6.3
326.22095	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	325.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
63.46238	1.1
64.31776	1.1
71.02837	2.5
71.04996	2.4
77.82305	1.4
113.09758	2.1
125.09795	2.1
127.11303	1.3
136.35805	1.2
137.09756	1.6
139.11281	7.3
144.41962	1.2
147.08060	1.1
150.56129	1.4
153.09245	5.4
154.05861	1.1
154.10011	2.6
171.02647	1.2
177.12848	12.5
183.01242	2.9
195.13905	54.1
196.14311	1.8
197.02789	1.2
211.13374	5.0
249.22151	2.3
275.20163	2.3
293.21213	40.5
294.21561	4.1
307.22696	7.2
309.20551	1.3
310.21506	4.4
325.18417	9.0
325.23846	100.0
326.18472	1.5
326.24176	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	325.2019
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
57.03445	3.0
59.01364	7.4
69.03455	3.3
69.30708	11.0
71.01389	1.9
73.02906	1.3
78.10606	1.3
80.02682	1.8
81.03435	2.9
83.05028	6.0
84.02187	2.4
85.02916	1.4
97.06601	3.1
98.19860	3.0
109.06570	2.7
110.18000	1.2
111.08172	8.7
123.08148	6.0
125.09714	20.0
129.05594	2.4
131.13957	1.4
137.09734	11.4
137.50552	1.3
141.05540	2.2
143.10791	1.4
153.09236	2.5
155.10759	3.9
157.12338	1.6
165.12827	2.3
167.10745	3.0
171.10268	15.5
175.05594	1.2
179.14394	3.4
183.13907	6.4
185.11803	7.2
195.13908	1.8
197.11787	3.1
199.09741	1.7
201.11308	16.7
211.13310	2.1
213.11339	4.7
223.13348	1.6
245.19118	4.3
248.05641	1.3
263.20123	10.5
279.19614	3.0
281.21140	2.3
289.18021	8.2
307.19119	31.3
307.22568	2.1
308.19308	3.8
325.20184	100.0
326.20483	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	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13881	2.5
57.01839	2.5
57.03432	10.6
59.01369	9.3
63.75245	2.7
65.03970	3.1
66.91994	2.6
69.03465	4.6
71.01369	4.2
71.05002	10.8
83.05024	11.2
84.02153	4.3
85.02964	5.4
85.06590	3.4
95.05026	10.9
97.06593	18.3
98.19843	5.2
109.06590	8.8
109.33337	3.3
111.04537	5.7
113.06089	3.7
121.06614	4.4
123.04527	4.1
123.08149	11.8
124.05296	3.2
125.09748	8.0
127.07593	3.6
135.08170	7.6
137.09709	3.5
151.11243	4.7
153.09229	7.2
171.10260	47.7
185.11871	11.1
191.10889	3.6
193.12300	5.1
195.13904	4.7
199.13452	4.0
201.11308	13.3
205.15889	6.5
207.10384	3.9
209.09988	3.1
209.11807	22.1
211.13371	10.8
213.11198	4.0
225.11285	3.4
235.13383	4.5
237.14964	12.5
245.19098	9.1
249.14819	13.9
289.18124	21.1
290.18338	3.1
307.19128	32.8
317.05112	3.2
325.20187	100.0
326.20450	11.9
333.83609	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	325.202
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
57.03450	5.4
59.01388	15.2
65.03969	10.8
69.03458	13.7
69.30885	13.0
69.31307	7.4
71.01379	3.3
71.05031	17.6
73.02962	6.5
74.41344	2.6
76.74107	2.2
80.02696	5.2
81.03495	3.2
83.05038	12.1
95.05042	2.5
97.06598	23.2
100.43604	2.2
105.07110	5.4
106.04247	3.2
109.06603	37.7
111.04490	3.4
111.08175	11.8
119.08681	5.9
121.06611	13.4
123.08171	32.7
125.09715	32.1
126.77541	2.3
127.11313	8.1
135.08191	13.6
137.09729	21.9
139.11281	2.3
141.09221	3.7
151.11279	4.0
153.09195	4.2
155.10786	9.3
164.08484	2.6
165.09224	3.2
167.10664	3.0
169.08704	7.9
169.12448	3.0
171.10268	54.0
172.10580	3.9
183.10292	8.3
185.11795	18.6
188.29245	2.3
197.11810	47.6
198.12325	4.7
199.09866	2.5
201.11324	77.2
202.11653	4.2
202.43814	2.5
209.11900	12.2
211.13391	25.8
213.11285	7.4
223.13376	5.8
227.12918	4.2
235.13368	18.9
236.13705	2.2
237.14957	3.9
243.79599	2.1
251.38301	2.3
254.69647	2.2
289.18118	17.0
307.19168	21.7
308.19714	3.1
325.20224	100.0
326.20493	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	325.202
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
57.03446	4.6
59.01379	4.3
62.87738	1.0
69.26218	4.0
69.26646	4.9
71.01386	1.2
71.05019	1.6
73.02943	2.0
80.02673	6.9
83.05049	1.3
84.02177	6.0
92.20887	1.1
97.06579	11.2
111.08173	1.3
113.09742	2.1
122.03745	1.2
123.08131	7.2
125.09724	76.3
126.10069	2.9
127.11277	3.4
132.57356	1.0
135.08142	2.3
137.09721	39.8
139.11290	2.5
141.09169	1.6
149.09683	1.5
152.72331	1.1
153.09253	3.1
155.10762	8.8
164.08388	2.7
165.12857	1.8
167.14380	4.8
169.08676	1.7
171.10229	2.5
181.12355	1.5
183.01273	1.4
183.10185	1.5
184.96996	1.2
193.15977	2.1
198.65486	1.1
199.09747	1.2
201.11353	1.4
207.17534	3.7
209.11867	6.7
215.12871	4.7
227.12897	3.8
249.18556	8.6
250.12099	1.1
250.18968	1.6
253.17967	1.8
263.20120	1.7
275.16403	1.3
279.19739	3.3
281.21198	9.9
289.18073	6.1
293.17688	3.4
297.20728	1.7
307.19153	100.0
308.19504	8.1
325.20453	21.4
326.20416	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2019
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
57.03436	2.7
58.00577	4.0
58.07633	3.5
59.01382	17.3
67.11852	2.7
69.03445	5.6
70.99953	6.2
71.01377	9.7
75.57202	2.9
84.02176	4.7
109.06570	4.4
111.08159	35.4
117.47642	2.7
121.65411	2.8
123.08166	21.1
125.09715	28.8
127.11295	9.1
135.08148	7.7
137.09735	6.0
139.11270	6.0
141.09180	4.5
143.10728	3.9
153.09222	7.9
155.10722	11.8
165.09138	5.1
167.10768	8.8
169.12311	5.3
171.10277	59.3
183.01233	3.3
183.10231	9.5
185.11810	34.3
187.09724	6.9
195.10297	3.6
197.11826	17.2
199.09734	3.6
201.11319	93.0
201.13232	4.6
202.11647	4.6
209.11885	8.2
213.11304	20.1
214.11473	2.9
227.12961	3.9
245.19267	6.6
277.88483	3.0
284.52649	3.3
289.18082	15.6
307.19156	25.1
325.20203	100.0
326.20493	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	325.2019
Annotation	Plakortenone
Peak:m/z	Relative Intensity
59.01380	1.1
62.82297	0.6
69.34604	4.6
75.23843	0.8
78.58686	0.7
83.05049	0.7
99.08172	0.9
101.35294	0.7
121.02960	3.7
122.03759	5.1
123.04537	0.8
125.09818	0.8
136.05327	3.5
157.00482	0.7
164.08432	1.2
165.12872	1.3
167.14404	6.3
168.04286	1.3
193.15944	4.3
207.17493	4.2
231.17577	3.2
233.15506	1.8
247.17015	1.1
249.18582	35.1
250.18953	3.3
265.18192	0.9
275.16519	28.1
276.16803	1.7
281.21194	8.5
282.21640	1.3
293.17578	100.0
294.17871	9.6
307.19080	3.9
325.20172	67.8
326.20560	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	325.202
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
57.03447	6.2
58.00586	2.8
59.01366	1.2
59.49202	0.8
60.71991	0.9
69.03455	1.1
71.01379	1.5
71.05016	1.4
73.02930	1.9
74.88301	0.9
83.05026	2.1
83.57285	1.0
84.02165	1.4
87.04545	1.2
97.06578	3.5
98.10902	0.9
98.20650	2.6
99.02569	0.9
110.03715	1.9
111.08158	25.4
111.88525	0.8
112.08475	1.6
121.02941	1.0
123.08153	3.6
125.09716	35.2
126.10072	1.2
127.11272	14.1
135.08180	2.0
136.64575	1.0
137.09702	12.0
138.48900	1.0
139.11263	2.3
141.09201	3.9
151.11240	4.8
153.09181	5.5
155.10780	5.1
157.12292	1.2
164.08382	2.6
165.09213	4.7
167.10738	1.0
169.08725	1.1
171.10271	19.4
177.09247	1.7
183.10168	1.9
195.10194	4.2
197.11786	1.0
199.09785	4.5
199.13429	1.4
201.11310	100.0
202.11646	4.3
208.06737	0.9
211.13399	1.7
213.11304	61.5
214.11617	3.2
227.12852	1.9
237.14998	1.5
245.19073	1.2
250.12093	1.7
254.61629	1.1
289.18079	24.1
290.18405	3.6
307.19128	50.6
308.19385	5.2
325.20169	87.2
326.20508	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	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	7.1
57.70311	1.6
59.01371	7.8
69.03460	2.9
71.01388	2.9
71.05019	17.5
80.02679	3.1
82.70599	1.8
83.05023	5.5
84.02197	2.2
95.05012	2.4
97.02950	3.5
97.06597	18.1
98.20676	2.9
99.00270	2.7
99.00882	31.2
109.06567	4.0
113.20184	1.6
121.69954	1.6
123.08168	11.3
125.09727	71.8
127.11263	3.9
137.09689	7.8
153.06961	1.7
153.09148	2.0
153.12836	3.8
163.11267	21.5
167.18896	1.9
171.10210	2.1
181.12347	68.9
182.12709	5.0
197.11844	4.2
199.13387	41.8
200.13727	3.9
201.11351	4.3
207.10248	36.7
209.11737	2.4
225.11314	100.0
226.11664	7.5
243.12352	53.6
244.12695	3.5
307.19037	19.9
325.20331	36.0
325.23843	2.5
326.20557	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	325.0929
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
52.60778	0.4
59.01373	1.3
60.82136	0.4
62.64809	0.5
69.63818	2.9
71.01374	0.9
71.97339	0.4
93.03462	0.6
105.05936	0.5
106.46992	0.5
114.05585	0.5
117.03462	1.6
119.05028	100.0
120.05362	4.3
129.27945	0.4
144.71286	0.4
145.02943	7.1
145.03972	0.6
146.03271	0.7
155.69371	0.4
163.04008	73.3
164.04362	3.8
183.60875	0.5
255.02895	0.6
261.23712	0.4
283.02930	0.5
325.09326	0.6
325.14069	0.8
346.08633	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.202
Annotation	Plakortenone
Peak:m/z	Relative Intensity
57.03439	6.1
58.00591	2.1
59.01365	5.5
65.19840	1.4
69.03450	1.4
70.83137	2.8
73.02954	9.4
78.59607	1.2
83.04991	2.6
93.07079	1.4
95.05009	1.3
97.06585	14.9
98.19993	1.4
115.07658	3.8
119.43607	1.3
123.08130	11.1
125.09723	100.0
126.10052	4.7
127.11265	5.8
130.08734	1.8
137.09689	3.3
141.09212	79.5
142.09506	5.0
151.11307	6.9
155.10742	4.9
159.77026	1.3
165.09184	2.7
169.08638	3.3
171.10262	10.0
183.10193	1.6
187.09781	12.6
197.11729	2.8
199.09763	3.2
199.13280	4.7
201.11311	78.3
202.11667	5.9
209.11728	3.3
213.11288	1.7
215.12828	3.4
223.13380	1.5
227.12886	11.1
229.14366	3.1
229.70200	1.4
261.68637	1.3
263.20184	10.0
267.19656	2.7
272.18445	1.3
279.19644	2.1
289.18094	4.9
297.20694	13.2
307.19101	25.0
308.19498	3.1
325.14670	3.5
325.20212	29.4
326.20459	2.6
348.17505	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	325.0928
Annotation	CHEBI:76092
Peak:m/z	Relative Intensity
50.83474	0.2
58.00577	0.3
58.28743	0.2
59.01379	5.1
71.01381	2.7
77.25863	0.2
84.80482	0.2
85.02948	0.7
86.24110	0.2
89.02441	2.1
101.02459	0.9
103.36665	0.2
111.85033	0.2
113.02438	1.1
115.08773	0.3
117.03467	22.2
118.03811	1.0
119.03525	0.6
119.05029	5.1
120.05404	0.2
120.22219	0.2
123.35622	0.2
129.98442	0.2
133.06616	0.6
145.02956	100.0
146.03307	5.2
157.20128	0.2
159.04495	0.6
161.06071	1.3
163.04015	7.4
164.04309	0.4
178.04480	0.2
187.04002	2.9
188.04366	0.3
205.05023	1.2
206.05551	0.2
235.06099	0.4
265.07190	1.3
266.07712	0.3
325.09296	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	325.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83176	0.4
57.03467	0.4
59.01383	5.4
61.00358	0.4
68.41729	0.4
69.33849	3.7
71.01379	2.8
80.02585	0.4
85.02958	1.0
89.02452	2.2
95.01379	0.6
101.02464	1.1
102.14680	0.5
102.15379	0.4
103.70561	0.4
111.98193	0.4
113.02459	1.3
114.05603	2.8
117.03468	20.0
118.03835	1.1
119.03532	0.5
119.05028	6.2
133.06575	0.5
135.32239	0.4
145.02951	100.0
146.03308	5.3
152.33252	0.4
159.04483	0.5
161.06087	1.2
163.04005	9.8
164.04314	0.7
183.56581	0.4
187.04030	3.7
188.04312	0.5
205.05089	1.8
211.14473	0.6
235.06123	0.8
265.07224	1.2
325.09335	4.9
333.08426	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.0
59.01376	1.8
69.32507	3.0
69.32933	2.7
74.81532	0.7
80.08907	0.8
84.89845	0.7
107.08680	3.9
137.09665	1.5
139.11243	2.6
167.10692	1.2
171.10335	1.6
183.84967	0.7
199.13397	2.2
213.11282	2.4
221.11641	0.7
223.13303	0.9
229.14403	2.4
239.12860	2.8
247.20567	2.6
263.20142	2.2
265.14703	1.1
273.18610	1.8
291.19669	32.0
292.19980	2.9
305.21426	0.8
308.19922	9.3
323.22263	100.0
324.22629	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	323.2226
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
56.18673	1.2
57.03447	4.2
59.01379	12.6
61.98830	1.8
70.37421	2.3
70.37824	3.0
71.01380	3.4
71.05016	7.9
77.43454	1.5
83.05011	2.3
97.02972	1.3
97.06609	3.9
97.13625	1.5
98.19997	1.4
106.55661	1.4
111.08060	1.5
119.08673	6.4
121.10251	14.0
123.08146	3.7
124.98853	1.1
125.09726	14.1
135.08086	1.2
137.09726	18.7
142.12943	1.2
147.08144	1.4
148.08978	1.9
149.09718	7.8
153.09244	2.0
161.04514	1.4
171.10269	25.5
185.11819	20.9
186.12247	1.5
197.11882	3.7
209.11789	2.7
211.13350	2.7
217.15935	3.8
241.17972	2.4
269.94141	1.4
273.18646	5.9
291.19656	100.0
292.19974	11.2
305.17883	1.2
305.21173	33.0
306.21542	5.3
323.22296	54.1
324.22632	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	323.2226
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
54.18481	1.2
57.03440	2.4
59.01368	3.5
80.02703	2.1
81.03458	2.3
87.68208	1.3
98.20664	3.8
104.04270	1.3
107.08655	1.5
117.98641	1.2
123.04486	7.1
123.08167	11.3
127.02164	1.3
136.05270	1.9
137.09686	2.8
139.11267	7.1
142.02660	2.2
151.07643	2.6
152.08412	5.6
153.09200	2.3
165.12715	2.1
177.12793	6.9
193.12280	2.1
195.13918	15.4
199.13451	1.9
203.14342	1.7
211.13402	3.7
221.11832	32.7
221.15399	5.7
222.12141	2.5
229.03201	1.6
247.20374	2.7
253.14441	38.2
254.14957	6.0
263.20221	1.5
266.27878	1.3
273.18619	2.8
291.19659	72.1
292.19986	5.8
305.21176	27.3
306.21582	2.2
308.19986	8.4
323.22250	100.0
324.22556	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	323.1864
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.70867	2.9
55.01876	4.5
55.86965	3.2
57.03448	15.2
59.01379	34.2
61.98831	4.9
69.03450	6.8
71.00928	3.0
71.01357	13.3
71.05012	36.8
73.02939	3.4
80.02674	5.7
81.03455	17.4
83.01378	19.9
83.05022	44.7
84.02165	25.7
85.02952	5.7
85.06543	4.5
93.03462	8.0
95.05024	100.0
97.02950	4.8
97.06588	21.4
109.06583	11.0
111.04499	7.8
113.02401	6.3
113.06090	82.9
121.06586	3.4
123.04556	6.2
123.08178	12.2
125.06107	6.1
125.09729	20.9
132.81546	3.5
135.08150	24.1
146.02234	2.9
149.09767	4.7
151.07642	20.7
153.09091	4.4
161.09695	3.7
163.11264	9.9
165.12863	6.6
167.10838	4.5
171.10269	35.6
171.51424	3.2
185.11865	16.9
189.12798	5.5
191.10776	6.0
203.14304	4.3
209.09892	5.8
209.11813	77.9
210.12256	5.4
211.13330	6.3
221.11673	4.0
227.12851	3.5
231.11774	3.4
231.13814	17.6
237.14948	27.0
243.17540	8.3
247.13422	8.3
249.14986	7.4
261.18588	6.2
265.14465	13.5
287.16434	25.3
305.17487	29.0
323.18625	60.7
324.18866	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	323.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67657	0.7
53.25603	0.7
59.01382	7.9
65.00053	0.7
71.01368	1.9
71.54446	0.8
78.09555	0.7
82.03876	0.7
99.00850	0.8
101.02399	1.2
113.02410	1.2
123.04470	0.9
137.06042	1.4
156.04311	1.5
161.04617	1.2
162.10439	1.1
163.11290	1.2
165.09190	1.9
165.12848	1.3
167.14441	0.7
185.11858	1.0
235.13322	0.8
261.22229	4.0
279.23181	1.2
287.20056	1.2
291.19650	1.0
305.21219	100.0
306.21561	11.7
323.09393	1.0
323.16821	9.1
323.22244	20.6
324.22699	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	323.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.5
59.01382	28.6
69.03458	33.6
69.83430	2.3
70.09878	11.4
71.01380	8.9
71.05014	4.5
85.02941	3.0
96.95993	2.4
101.02466	2.9
113.02425	4.1
123.08148	9.7
125.09745	18.0
128.03571	2.8
137.09756	7.8
141.09154	2.7
144.05635	2.7
145.50522	2.4
149.09666	4.8
151.11250	8.2
153.09236	3.8
161.09712	8.9
171.10272	15.5
179.10774	45.5
185.11815	3.5
197.09996	5.0
197.11824	100.0
198.12115	4.7
220.14682	16.6
223.09714	4.6
231.17433	3.7
241.10757	13.8
273.18631	4.7
279.19614	10.5
291.19650	11.7
305.21210	7.1
323.10025	3.2
323.18466	40.0
323.22256	53.3
324.18961	5.0
324.22534	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	323.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34344	2.6
52.83174	2.8
55.01847	2.7
55.37250	3.3
57.03458	4.4
59.01379	31.6
65.03951	11.3
69.43022	24.2
71.01378	6.8
71.05006	10.6
73.02928	4.7
76.26007	3.1
81.03446	5.8
83.05007	15.9
85.02929	6.1
89.02423	4.3
93.07091	13.8
95.04983	5.1
97.06567	4.8
101.02428	4.7
104.14761	3.3
109.06547	6.9
113.02431	4.4
121.06588	26.7
122.03735	12.7
123.08157	5.5
127.04017	5.6
139.07635	6.0
139.11299	15.2
156.02815	2.9
161.04527	4.6
167.10719	4.6
183.41331	3.0
207.13924	4.4
209.11807	11.0
220.48442	3.0
224.75571	2.8
227.12865	36.0
231.13794	3.3
233.11833	65.4
234.12123	5.4
249.14995	17.3
251.12883	49.9
252.13240	3.6
279.19653	7.6
287.16513	25.8
305.17551	100.0
306.17932	7.6
322.99826	6.0
323.18741	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	323.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14591	1.1
58.00579	2.9
59.01378	92.9
60.01720	1.3
63.58167	1.0
67.88718	0.9
69.41813	6.6
69.42221	2.0
71.01381	48.2
72.99320	2.6
83.01381	2.6
85.02959	7.7
87.00861	1.7
89.02441	61.8
90.02773	2.0
95.01375	2.7
101.02443	33.3
105.16273	0.9
113.02455	20.7
118.71081	0.9
119.03500	29.0
120.03919	0.9
131.03465	2.1
143.03519	3.0
143.07216	1.0
146.18134	0.9
149.04514	1.5
161.04567	2.2
161.08189	1.7
179.05637	3.9
188.91061	1.0
218.12035	1.0
278.51047	1.0
308.90189	0.9
315.00565	0.8
323.13461	100.0
324.13745	5.2
339.54306	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00579	3.9
59.01379	100.0
60.60052	1.0
69.16227	5.8
69.16650	3.4
71.01381	46.1
71.01782	2.2
72.99303	3.3
73.02939	1.0
83.01376	2.7
85.02950	9.2
87.00863	1.5
89.02444	51.4
95.01374	3.7
101.01791	1.9
101.02440	29.7
113.02448	16.5
119.02667	1.4
119.03503	23.9
131.03505	1.8
143.03491	2.9
143.07146	1.4
149.04524	1.5
160.43498	0.8
161.04538	2.2
161.08176	2.3
163.02731	0.9
179.05588	4.2
182.25914	1.0
323.13452	97.0
324.13678	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	323.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54283	0.8
58.00586	2.0
58.27036	0.9
59.01381	49.4
65.69631	0.7
69.97875	2.9
71.01385	10.1
72.99297	3.0
72.99693	0.8
83.01361	1.1
85.02953	1.2
89.02440	10.4
101.02439	8.3
101.98955	0.8
119.03513	1.5
145.07751	1.2
146.04871	1.3
160.06445	15.5
161.07205	74.4
162.07571	2.7
175.08771	44.2
176.09067	2.4
177.74857	0.9
187.08730	1.7
189.06700	100.0
190.07048	6.2
193.64465	0.9
201.10323	1.0
203.08269	40.8
204.08565	3.1
294.42914	0.8
295.13004	1.1
305.11606	1.6
323.12485	27.9
324.12805	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	322.2023
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
58.02974	1.7
63.88554	0.2
69.27204	2.3
80.02676	0.3
81.03458	0.4
95.05049	0.5
95.90762	0.2
97.06590	0.4
97.07218	0.2
109.06573	0.6
128.10820	6.8
130.08739	100.0
131.09084	3.3
165.12843	1.0
172.09851	0.5
239.68526	0.3
322.20221	30.9
323.20609	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	321.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46481	0.5
59.01381	100.0
60.01713	0.7
65.87541	0.4
71.01395	2.2
71.11409	1.2
74.85033	0.6
81.57028	0.6
89.02450	3.4
89.02926	0.6
93.07858	0.5
96.96012	1.0
101.02460	1.5
113.02483	1.4
115.92145	0.5
119.03519	1.0
119.12979	0.5
154.26721	0.6
179.05690	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
58.00580	1.5
59.01379	49.6
63.00721	0.7
71.01385	20.9
71.02687	1.5
72.22905	0.6
72.70391	0.8
72.99311	1.8
73.02953	1.8
83.01407	2.3
85.02939	6.2
85.03353	0.8
87.00861	2.2
89.02448	19.2
95.01433	0.7
100.03522	0.6
101.02445	13.8
113.02460	7.8
113.09726	26.3
114.10094	1.0
119.03500	6.5
141.09193	5.4
143.10776	1.4
155.10776	2.7
159.10266	67.4
160.10617	2.2
161.04509	0.8
179.05646	0.8
196.95753	0.6
201.11282	1.8
250.18481	0.7
271.04684	0.7
293.32251	0.6
321.15533	100.0
322.15909	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	321.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.5
57.03432	1.1
58.00611	0.7
59.01379	23.7
62.45914	0.5
66.44277	0.5
69.12929	0.5
71.00880	0.9
71.01377	16.0
71.02716	0.5
72.99297	1.8
73.02937	3.3
83.01388	2.9
85.02944	5.9
87.00876	1.3
89.02441	4.3
95.01388	1.0
99.00885	1.5
101.02453	8.4
101.30904	0.6
102.55156	0.5
106.67201	0.5
111.00876	0.9
113.02439	3.1
113.09731	5.8
119.03479	1.5
134.03687	0.8
141.02058	0.6
141.09216	2.1
157.08734	0.6
159.10262	38.2
160.01662	0.9
160.03987	1.2
160.10596	1.3
161.04562	0.5
175.03947	0.9
193.04976	2.4
212.10452	0.5
303.14514	2.2
321.15521	100.0
322.09277	1.4
322.15894	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	321.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05692	0.9
53.61995	0.8
55.01860	1.1
58.00599	4.7
59.01378	100.0
71.01381	54.7
71.01784	1.9
71.02328	1.6
72.99300	3.4
73.02922	1.8
79.22242	0.9
83.01385	4.0
85.02953	11.0
87.00865	2.6
89.02444	52.2
92.59183	0.8
95.01379	4.0
96.95963	1.3
101.02440	35.5
102.02797	1.3
113.02448	19.4
113.09708	2.1
119.03503	27.3
131.03516	2.8
134.03761	1.4
138.83046	1.0
141.09212	15.9
143.03481	1.8
143.04607	1.0
149.04608	1.8
159.10266	7.5
161.04518	1.6
161.76201	1.0
179.05569	1.8
193.05032	1.8
208.30663	1.0
298.71552	0.9
321.15524	96.6
322.15833	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	321.0463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22100	5.3
55.75294	5.6
59.01377	9.7
61.98818	19.7
70.09912	26.0
71.01377	11.9
72.99315	8.0
75.00774	6.4
78.95911	12.7
85.02944	30.6
87.00866	25.2
97.02962	8.5
98.20682	7.6
99.69352	6.1
104.43520	6.7
115.00398	7.8
119.05009	28.9
124.91042	6.0
129.01895	20.5
129.72258	8.6
133.01422	7.7
143.01994	10.1
145.01756	7.6
152.80298	6.7
175.02431	15.5
209.47173	6.3
210.03792	10.8
211.00133	9.3
212.03618	18.3
266.92242	5.8
269.01111	82.9
269.46536	6.8
276.98093	7.0
287.47729	6.8
293.99295	6.2
294.98965	100.0
295.99149	7.1
320.96692	51.2
321.06308	10.5
321.12067	6.9
321.97305	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	319.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42590	0.8
55.81977	0.7
56.06867	0.8
56.33942	0.7
57.03448	1.3
58.00590	4.0
59.01378	15.9
71.01375	2.1
72.99296	2.0
73.02947	13.8
76.40063	0.7
83.05022	1.0
85.02911	0.9
97.06554	1.1
98.20649	2.4
102.31081	0.9
109.06519	0.9
125.06079	1.9
127.07665	1.0
130.43449	0.8
133.25508	0.8
139.07622	2.7
153.12907	1.1
159.04858	0.8
222.84805	1.0
250.15787	1.2
255.21266	1.5
259.20694	1.1
261.22287	1.9
263.23938	2.2
273.22162	4.5
274.98322	0.9
275.23810	1.0
291.23288	10.1
292.23636	1.7
301.21777	2.0
319.22760	100.0
320.23090	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	319.1396
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
55.01866	2.2
57.03432	1.1
58.00587	2.8
59.01376	68.8
60.01694	1.0
66.94898	0.7
70.04691	3.2
71.01377	37.3
72.99281	2.3
73.02927	3.9
73.04054	2.6
76.14654	0.8
83.01373	2.8
85.02941	9.9
87.00883	1.2
89.02438	32.9
95.01366	3.1
98.20560	1.2
99.00862	1.1
101.02438	27.4
113.02438	16.7
116.07169	5.9
118.13963	0.8
119.03491	13.7
121.25906	0.7
131.03487	1.3
134.03682	1.0
135.04100	1.7
138.04955	0.8
139.07649	17.7
140.01822	0.8
143.03513	1.4
149.06065	1.3
150.06505	1.0
157.08672	3.0
161.04536	2.3
179.05623	2.0
193.06966	1.4
202.12340	2.2
203.08238	2.8
319.13950	100.0
319.22321	2.1
320.14200	4.6
320.16193	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	319.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43021	0.8
58.02979	8.1
58.59178	0.8
67.58694	0.8
72.00913	5.9
82.06628	2.3
88.29246	0.8
90.42943	1.0
91.05526	11.0
98.20816	0.7
103.05524	1.1
112.07691	4.4
118.06622	3.9
119.13239	0.7
120.73485	0.9
126.09246	1.4
129.10345	80.5
130.10664	2.0
147.04523	29.5
148.04865	2.0
153.10295	4.2
154.08734	11.2
155.11925	0.8
164.07166	72.2
165.07510	3.9
171.11389	63.8
172.11728	2.5
188.59883	0.8
233.16579	39.3
234.16930	4.3
275.17661	7.0
277.15576	3.1
301.14362	1.1
319.16611	100.0
320.16928	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	319.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97260	0.8
57.03434	0.8
58.00595	4.3
59.01376	12.0
71.01383	2.1
71.52940	1.4
72.99318	1.1
73.02949	14.9
84.02138	1.3
85.02946	1.3
91.82229	0.8
95.05057	1.1
97.06589	1.9
98.94490	0.8
109.06575	1.7
111.08146	1.4
125.06071	3.3
130.42415	0.7
139.07680	1.9
173.75223	1.0
187.60905	0.7
205.19638	0.8
250.15672	1.6
255.21288	1.3
257.22687	0.9
259.20816	0.9
261.22281	3.1
263.23776	1.4
272.28195	0.8
273.22223	7.5
274.22504	1.1
275.23843	0.8
289.21765	1.1
291.23294	13.5
292.23636	1.4
301.21704	2.6
319.22757	100.0
320.19601	1.4
320.23068	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	319.1397
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
57.03464	1.1
58.00595	1.3
59.01381	41.0
62.08664	1.1
69.46175	2.1
69.46584	6.0
71.01379	24.1
72.99327	1.2
73.02939	2.0
78.49030	1.1
83.01389	2.7
83.93591	1.0
84.02150	2.1
85.02966	4.2
87.00903	2.1
89.02443	16.5
95.01402	1.5
96.96007	8.6
101.02453	15.4
103.09508	1.0
111.08167	25.8
113.02450	9.3
119.03508	7.7
123.03266	2.7
124.04073	2.8
136.07692	10.0
138.05603	18.7
139.06030	1.4
139.07655	5.6
140.07158	1.3
143.03589	1.5
153.09239	1.2
157.08698	71.8
158.09045	2.6
179.05728	1.2
182.04590	1.5
183.05388	1.1
184.06152	5.5
199.09779	2.9
233.12265	2.3
290.79831	1.1
315.22101	1.2
319.14053	100.0
320.14465	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	319.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	10.2
60.98815	0.9
63.19207	1.1
65.73948	1.2
70.02976	1.7
71.01390	9.4
72.00896	1.8
73.02938	1.8
74.02483	1.6
83.01377	1.6
83.05014	1.4
85.02928	3.2
89.02412	2.6
93.03456	13.8
95.05015	1.3
95.16959	1.2
96.95978	1.8
99.00852	1.4
101.02441	4.7
109.01676	3.0
110.02470	4.8
111.04510	4.6
112.04044	11.5
113.02459	3.1
116.05048	3.2
117.03442	3.1
119.03539	1.3
119.05032	32.1
120.04526	3.1
120.05358	1.7
120.99644	4.4
121.05349	6.3
122.06126	6.3
123.03260	17.3
124.03206	1.9
124.04039	18.9
136.07687	45.9
137.02440	10.6
137.06046	4.3
137.08052	2.0
138.05606	100.0
139.05899	3.8
140.07140	3.7
141.06682	2.1
142.06628	1.2
145.02998	6.7
150.05606	1.8
155.03493	6.5
163.04013	34.2
164.04424	2.0
166.05077	1.1
172.04073	1.5
182.04625	9.4
183.05406	8.1
184.06149	23.1
189.06827	1.3
203.08240	7.6
215.04327	1.9
229.06952	1.7
242.10576	1.8
245.62968	1.1
257.12927	11.8
283.07178	5.1
301.08139	1.3
319.08292	3.7
319.12866	8.5
319.17245	1.8
319.20892	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	4.6
60.49969	0.9
61.98829	100.0
63.09854	1.1
63.45580	1.0
71.01377	3.0
79.70591	1.2
85.02952	1.0
85.50385	1.2
89.02431	1.9
101.02454	3.0
102.05590	2.1
113.02473	1.6
114.01122	1.0
119.05007	1.4
127.79934	1.1
128.03546	3.0
149.59009	1.1
190.05444	2.6
224.56111	1.2
231.18953	1.2
241.06400	2.0
289.16183	1.7
306.34332	1.2
319.09668	3.6
319.13620	1.7
319.22781	2.0
333.88531	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0822
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
57.03445	0.6
59.01375	7.8
62.69453	0.7
65.03955	1.5
69.82100	2.4
71.01379	9.2
73.02950	3.8
81.03461	1.7
83.05028	5.6
83.55971	0.6
85.02945	3.9
89.02444	4.5
93.03457	38.0
96.02175	0.6
98.19978	1.0
99.00892	1.1
99.04521	1.1
101.02428	6.2
104.72313	0.6
109.02956	1.1
111.04516	11.1
113.02432	3.4
117.03469	6.7
117.54219	0.6
119.03557	2.4
119.05021	97.4
120.05354	4.2
137.02438	28.7
137.03523	0.9
138.02779	1.2
143.03491	1.1
145.02943	21.4
155.02263	1.4
155.03500	23.9
161.04570	3.4
163.04002	100.0
164.04324	5.1
173.04523	1.7
319.08234	12.9
319.12183	1.5
319.17578	5.7
319.21536	3.0
320.08508	1.1
336.21429	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75122	0.8
55.01873	3.1
59.01374	2.9
61.98835	9.6
65.05324	0.8
67.01873	1.8
69.03441	1.5
70.18821	1.9
71.01382	12.9
72.99299	1.0
73.02949	9.1
74.02475	1.8
80.96509	3.5
82.02981	1.1
83.05039	1.1
84.00972	0.8
84.04542	1.7
85.02944	3.0
87.04498	1.1
96.04540	2.7
98.02493	5.4
99.00877	42.7
99.04503	1.7
100.04029	1.6
107.03678	1.1
108.02071	2.0
109.02925	2.6
110.02483	1.8
110.06139	0.8
111.00874	9.2
111.04491	3.4
112.04069	1.0
114.05590	1.4
121.02972	1.4
125.07210	0.8
126.05581	2.6
128.03539	100.0
129.03848	2.7
130.08788	4.6
131.03525	2.0
132.02092	1.2
133.01543	7.0
138.05569	4.4
139.04028	3.9
150.04210	35.7
154.04977	1.1
156.06604	1.7
157.05074	5.9
160.06151	29.8
161.06541	1.2
161.98927	1.5
162.09233	1.3
168.06566	1.4
176.98097	2.8
180.10275	1.6
186.07628	1.5
200.05707	1.0
200.13997	1.1
204.02812	1.0
206.04364	3.4
206.08144	1.0
226.07230	2.5
250.07150	2.3
258.09671	1.3
268.08255	4.2
274.13889	1.3
282.08405	20.9
283.08737	1.1
286.06149	1.6
286.09329	32.1
287.09695	2.3
296.36240	1.2
300.10727	1.4
301.10263	1.0
318.05841	7.4
318.11847	10.2
318.16437	2.0
319.05164	2.4
319.12851	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	317.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
56.11040	0.8
57.03446	1.9
59.01375	5.7
62.62175	0.9
64.71176	0.8
67.60318	1.1
71.01469	1.8
71.05019	7.1
77.81367	0.8
79.52335	1.1
80.96523	1.6
82.62299	0.9
91.04005	2.0
91.77473	1.0
97.02951	5.6
97.06576	3.2
99.00879	29.5
109.06584	2.1
110.03737	2.1
123.08142	1.6
125.09711	12.2
127.11249	1.6
142.02724	2.5
153.12750	1.9
155.14371	1.8
163.11292	15.1
181.12331	52.0
182.12593	2.3
197.11763	2.1
199.13382	38.4
200.13687	2.7
207.10249	46.0
207.12215	2.2
208.10635	3.2
225.11308	93.4
226.11658	5.4
227.12978	1.4
243.12349	100.0
244.12669	8.3
295.31351	0.9
317.05399	3.9
317.16034	59.7
317.21606	5.4
318.16467	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	317.1969
Annotation	oscr#16
Peak:m/z	Relative Intensity
57.29628	0.7
58.00605	1.9
59.01380	100.0
66.66599	0.7
69.17172	0.7
69.19620	1.7
69.20038	5.6
71.01411	1.4
71.05026	1.2
72.99303	1.0
73.02949	28.7
75.36987	0.7
83.05027	4.0
85.02979	1.7
95.05055	2.2
97.06599	3.0
98.20707	1.6
101.06084	1.0
109.06607	1.3
113.06056	1.2
125.09751	1.8
127.07656	5.6
127.11299	8.5
131.07141	29.2
132.07478	1.6
132.50569	0.9
137.09720	1.2
139.11296	42.1
140.11662	1.3
155.10760	5.8
157.12280	1.9
164.07184	0.9
165.12833	1.7
195.65419	0.8
219.17609	1.1
237.18636	1.6
289.37863	0.8
299.18774	5.2
317.05453	1.8
317.19647	57.7
318.20096	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	317.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61661	1.6
57.03451	2.9
59.01373	10.5
69.98985	3.1
69.99359	7.0
71.01376	7.0
71.05021	6.5
73.02953	2.9
79.59335	1.5
80.96516	9.3
83.05045	2.6
85.02952	4.0
89.02439	2.3
93.03423	1.6
94.98087	2.3
95.73922	1.5
97.02952	5.3
97.06591	3.8
99.00872	30.6
99.08202	1.8
101.02430	3.4
108.04539	1.9
109.06573	2.5
111.04510	1.6
113.02505	1.6
123.08221	2.0
125.09698	11.4
129.09177	1.4
135.04547	2.3
145.06529	1.4
155.10786	8.9
155.14418	2.0
161.04675	1.7
163.11259	16.2
164.98650	2.8
181.12335	49.9
182.12733	1.9
197.11775	2.6
199.09760	7.1
199.13408	37.1
199.15161	1.3
200.13782	2.1
201.01747	1.5
207.10246	54.0
208.10533	2.9
209.11880	2.8
225.00854	2.7
225.06694	6.3
225.11308	96.2
226.07349	2.2
226.11610	7.2
227.03502	3.2
240.09026	4.4
243.12346	100.0
244.12663	7.5
255.11429	19.0
256.11752	2.7
273.12436	41.1
273.18890	1.9
274.12646	3.4
317.05502	16.6
317.11716	6.3
317.15997	73.8
317.20245	21.0
317.21005	20.8
318.16315	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	317.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35886	1.6
59.30352	1.4
69.76006	1.5
71.53865	3.0
85.90903	1.6
93.03488	2.4
96.62047	1.5
100.93208	1.6
106.06621	91.3
106.60200	1.5
107.06963	4.5
110.02473	3.3
110.78530	1.8
116.05049	2.6
122.06139	2.7
123.03218	2.0
126.04440	1.8
132.04559	2.4
134.06110	2.8
138.05600	17.2
140.07155	13.6
144.08200	2.7
150.05580	12.7
151.12173	1.5
152.03531	39.5
156.08238	2.2
166.05086	16.4
167.05872	100.0
168.06163	3.4
170.09697	5.1
186.12866	15.1
194.04474	2.8
200.07074	2.3
201.07953	16.1
202.08336	2.0
211.08824	1.8
215.09537	9.8
225.06656	4.3
226.07468	6.5
230.11841	39.1
239.08238	3.2
240.08961	4.2
255.11395	40.6
256.11673	6.1
273.12439	45.7
274.10361	8.6
274.13254	3.0
297.58322	1.6
299.10260	10.9
317.11356	50.9
317.21259	15.9
318.11853	6.2
318.21487	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	317.055
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19042	0.3
59.01386	0.7
59.55126	0.3
63.96224	0.5
69.03452	0.4
70.22462	1.2
70.41782	0.3
71.01381	6.5
72.99290	0.4
73.02946	1.5
78.98590	5.0
79.95734	6.5
80.96516	56.5
81.03458	0.4
85.02944	2.6
87.00883	2.0
94.97483	0.7
94.98087	12.0
95.01419	0.3
96.95998	0.7
97.02950	1.2
101.02457	2.1
106.98084	2.6
122.97594	2.5
125.02470	2.6
127.04000	1.1
134.97595	4.8
136.99138	0.9
146.97539	0.4
148.99139	4.8
152.98621	5.0
164.98628	9.2
165.98941	0.5
167.00197	0.5
206.99696	2.1
225.00739	14.9
226.00937	0.4
261.64764	0.3
274.88712	0.5
317.05453	100.0
318.05753	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	315.2538
Annotation	(9R,10R)-Dihydroxyoctadecanoic acid
Peak:m/z	Relative Intensity
59.01368	0.6
71.52293	0.8
73.79710	0.7
110.14513	0.6
112.06982	0.6
141.12897	1.0
142.25662	0.5
153.12912	0.6
155.14378	0.7
172.72083	0.5
214.24998	0.5
267.23260	0.7
269.24841	0.8
297.24280	1.9
313.23877	2.1
315.19495	5.6
315.25381	100.0
316.19992	0.9
316.25711	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	316.1878
Annotation	Leu-Val-Ser
Peak:m/z	Relative Intensity
59.01375	1.5
61.98815	0.8
66.03479	0.5
69.18587	5.8
69.51012	0.5
71.01372	1.1
71.02501	0.7
73.04067	9.2
80.96524	1.7
82.06630	1.0
88.04045	0.6
102.25874	0.5
103.05136	1.6
111.09321	0.6
114.05599	0.7
114.09226	1.0
115.08760	1.5
115.16655	0.6
116.07172	19.1
125.07220	2.2
126.05637	4.6
127.08775	3.8
129.10344	3.1
130.08739	100.0
131.09082	3.4
137.08672	0.6
139.08778	0.8
140.07166	1.6
141.10333	1.5
143.11931	2.7
154.01431	0.9
154.09866	1.5
155.08273	5.6
167.08276	1.8
168.06641	1.1
168.13979	1.1
169.09825	2.6
172.10934	1.3
173.04565	0.6
185.09319	6.8
185.16582	55.5
186.16853	2.5
195.15001	0.9
199.10867	2.1
211.14537	0.6
215.14195	0.6
219.07999	0.7
225.00639	0.9
229.15585	3.3
242.18732	22.1
243.19023	1.9
254.18860	0.6
255.13536	0.8
269.11551	0.6
286.17715	20.4
287.18033	1.8
298.17816	2.9
299.12506	1.3
316.18753	93.4
317.05585	2.5
317.18689	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	315.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.4
59.01376	1.1
65.68797	0.9
66.38182	0.9
71.54420	1.0
76.53436	0.7
79.05537	5.4
81.03467	0.8
83.05014	3.0
97.06570	1.1
109.62053	0.8
110.93941	0.9
119.08648	13.2
120.30266	0.8
121.06596	1.0
131.08684	6.7
137.09705	3.0
183.44044	0.9
183.94656	0.8
187.14977	1.6
237.16418	2.6
253.19562	7.4
271.20636	14.5
272.20953	1.2
306.70285	0.9
315.19617	100.0
316.19907	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	315.1812
Annotation	oscr#15
Peak:m/z	Relative Intensity
57.03445	4.3
59.01381	62.5
69.03459	1.5
69.62378	6.2
71.01385	3.9
71.05015	2.7
73.02953	1.6
79.95750	1.9
81.03452	2.1
83.05032	9.9
84.02164	1.2
85.02933	4.5
85.06588	3.4
85.44743	0.9
87.04549	0.9
88.04052	4.1
95.05041	4.6
97.02946	1.2
97.06596	14.8
98.20634	1.4
101.06087	3.5
106.17321	1.1
109.02952	1.0
109.06576	5.8
111.04503	3.7
111.08155	1.4
113.06114	1.4
115.00397	1.6
115.07671	2.2
121.06589	1.3
123.08184	3.5
125.06068	1.6
125.09739	1.6
126.43240	1.1
127.07647	1.8
130.08704	1.4
135.08170	3.6
137.06094	1.4
137.09735	4.7
139.07693	2.9
139.11310	1.9
143.07144	8.6
153.09225	2.3
155.07156	2.1
155.10773	3.0
156.10205	1.2
157.08679	1.5
163.11340	1.3
163.25456	0.9
165.09264	1.3
169.67070	1.0
171.10243	2.2
173.08134	2.4
177.12852	1.1
179.10857	1.0
181.08676	7.9
181.12306	1.5
183.10240	5.4
197.11807	3.7
199.11026	1.7
201.11319	5.6
207.10324	1.5
209.11848	2.4
217.15900	1.5
227.12938	1.1
241.10886	1.1
270.91663	1.0
275.55008	0.9
297.17007	7.7
300.02780	1.1
315.18115	100.0
316.18439	9.9
316.21283	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	315.1809
Annotation	Linalool glucoside
Peak:m/z	Relative Intensity
58.00584	1.2
59.01377	100.0
59.37469	0.9
60.01704	1.0
62.25978	0.9
69.03454	6.6
71.01362	2.9
71.53127	1.2
72.99284	1.0
73.02947	11.6
73.85262	0.9
80.05023	1.4
81.03453	1.2
83.05039	1.4
85.02956	4.6
97.02905	1.1
97.06573	4.3
99.04502	3.8
108.04552	8.5
108.05791	1.1
109.06585	1.2
111.04491	1.4
111.24334	1.0
115.00369	1.1
119.08653	7.0
121.05295	1.2
125.09704	7.0
127.07630	3.7
135.08157	4.7
136.07677	15.1
137.09720	40.3
138.10046	1.3
141.05576	2.3
147.03299	1.1
155.10783	9.5
159.06621	10.8
162.05592	4.9
171.10249	1.0
179.10852	1.3
183.10295	1.3
197.11761	3.8
199.09726	8.2
232.41270	1.2
238.07538	1.6
240.17149	1.1
241.06125	0.9
242.06873	1.0
243.11365	2.3
253.09785	2.5
271.10858	49.1
272.11172	4.4
297.17014	5.5
315.09802	3.6
315.13931	3.6
315.18057	57.4
316.18436	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	315.0722
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
53.66547	0.3
56.56427	0.3
59.01381	0.5
61.98829	0.3
70.02940	0.4
70.79338	0.8
73.04074	0.4
74.02471	1.1
87.05641	2.4
88.04039	1.9
91.01897	0.6
91.34934	0.4
91.56452	0.3
96.00929	0.5
98.02497	1.0
108.02176	2.3
109.02952	73.9
110.03286	2.2
110.03925	0.3
112.38665	0.3
113.03565	0.8
114.05605	0.4
130.08752	3.7
143.11879	0.7
144.00667	0.3
152.01149	1.0
153.01936	100.0
154.02269	3.3
157.13467	1.1
163.08475	0.3
166.08751	0.6
183.11349	0.5
184.07259	1.3
200.13971	0.4
200.64122	0.3
201.12526	0.5
271.17749	0.6
281.11426	2.4
298.14133	1.5
315.07214	13.6
315.16656	4.7
315.19846	0.5
316.07550	1.1
316.14917	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.9
59.01378	2.3
68.33696	0.3
69.03455	3.4
70.81200	1.1
71.01366	0.9
71.05026	2.8
72.61575	0.4
74.02465	0.5
83.04974	0.6
89.02415	0.9
91.04026	1.8
95.05009	0.5
97.06618	0.5
108.02115	0.4
110.27199	0.4
111.08136	0.5
123.08149	0.9
125.06124	0.4
125.09727	2.1
149.09659	0.7
151.11292	2.8
153.12816	1.7
155.63533	0.4
161.09706	3.6
165.97984	0.4
169.09787	0.6
171.12231	0.6
179.10764	13.1
180.11118	0.4
197.11821	100.0
198.12138	5.2
199.09563	0.4
223.09712	2.1
230.66034	0.4
241.05075	0.5
241.10789	15.5
242.11208	0.8
243.02974	0.4
271.02560	1.4
271.17325	0.6
300.02713	2.6
315.05087	1.0
315.14484	33.6
316.14691	2.8
325.09766	0.4
339.87537	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0723
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
52.95982	0.5
59.01379	2.5
61.98841	0.7
69.03451	0.6
70.79515	0.6
70.79859	1.7
71.01379	2.1
73.02958	0.6
74.02475	3.6
81.03475	0.7
85.02962	2.0
87.05642	1.0
88.04028	3.1
95.01380	0.7
101.02459	0.7
102.05636	0.7
104.03519	0.8
108.01386	0.6
108.01586	0.5
108.02174	38.9
109.02955	72.2
110.03311	2.4
113.02475	0.8
115.00392	1.0
115.08765	0.6
116.07189	0.6
117.05611	3.0
121.02991	0.6
123.00935	0.6
123.04598	0.7
125.02447	0.6
127.05144	2.0
128.03554	1.4
129.10349	2.5
130.08752	1.2
133.02934	0.6
143.11877	1.7
145.06189	1.8
151.03879	0.8
152.01146	26.5
153.01936	100.0
154.02257	3.3
169.09831	1.5
180.71329	0.6
183.11313	0.9
187.10812	1.1
196.14708	1.2
200.14043	2.2
201.12477	0.7
209.09282	1.2
226.11911	0.7
242.11449	0.6
271.17761	0.7
286.17520	0.5
298.14124	0.7
315.07199	29.5
315.16641	4.3
315.19827	2.3
316.07440	2.0
316.11960	0.8
316.15115	4.3
316.18539	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2085
Annotation	Ile Ile Ala
Peak:m/z	Relative Intensity
59.01362	1.1
66.03501	0.4
69.41750	2.5
69.42159	1.1
71.01380	0.6
71.42059	0.5
72.00928	0.4
73.02930	0.5
74.02467	0.6
82.06604	1.9
88.04037	100.0
89.04372	1.3
97.06521	0.6
110.48891	0.5
112.07671	0.6
114.05606	13.2
115.08765	1.4
116.07178	8.5
120.99628	0.6
128.03561	1.0
129.10330	7.2
130.08707	1.7
138.08003	0.7
139.08733	3.0
140.10812	1.9
151.00394	0.4
151.04021	2.6
152.04340	3.5
153.01915	1.3
155.55165	0.6
157.13455	9.9
159.30827	0.5
167.11932	0.8
168.06706	0.9
169.09839	2.4
169.13466	0.5
171.15022	2.1
193.35645	0.4
195.14978	3.0
197.12828	0.7
197.16559	3.8
199.10870	1.7
201.12427	1.6
208.13345	0.7
225.16078	15.9
226.16370	1.4
242.18623	0.9
252.20778	0.5
270.21866	7.1
273.37067	0.5
314.17438	3.3
314.20822	59.5
315.11850	0.6
315.21182	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	313.2383
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
59.01359	0.4
64.04848	0.3
69.30915	2.9
80.82005	0.3
83.04990	0.3
98.20276	1.5
125.09695	0.5
127.11258	0.9
139.11281	0.8
141.12848	0.9
155.10762	3.3
157.12236	0.3
160.35179	0.3
171.10257	4.8
196.53310	0.3
265.21756	0.3
267.23276	0.6
277.21628	0.6
295.22754	8.8
296.23077	0.6
296.52676	0.4
311.22195	0.8
313.23837	100.0
314.24191	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	313.2384
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
55.61351	0.5
58.64810	0.5
59.01381	100.0
60.01715	0.8
68.85680	0.4
70.21996	0.5
71.54147	0.7
71.54565	0.5
72.72220	0.5
113.23621	0.4
167.72914	0.5
181.87086	0.4
225.22209	1.1
253.21704	6.7
254.22191	0.8
271.22781	45.4
272.23193	3.8
313.17593	1.0
313.23813	14.9
314.24329	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2383
Annotation	9,10-DiHOME
Peak:m/z	Relative Intensity
59.01363	0.6
61.19291	0.5
68.69734	0.5
69.29410	4.1
71.05014	1.3
72.31041	0.5
77.89655	0.5
83.05006	0.9
87.91914	0.6
98.20019	1.2
98.20676	1.1
99.08153	1.9
105.08147	0.6
111.92354	0.5
121.02888	0.5
125.09708	1.8
127.11249	3.9
129.09143	0.5
137.09746	0.6
139.11295	1.3
141.12839	1.4
155.10747	1.1
169.15909	0.9
171.10239	2.1
199.09775	0.7
201.11325	12.9
202.11610	0.7
218.73466	0.5
255.90337	0.5
277.21698	1.7
293.21130	1.2
295.22824	6.2
311.22202	0.7
313.23819	100.0
314.24146	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	313.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78822	0.4
59.01390	2.4
64.99059	0.4
67.01874	0.5
69.03450	1.9
69.55592	2.7
71.01389	1.1
71.05011	0.5
75.00880	0.5
83.05017	0.6
84.02164	11.7
92.84058	0.4
93.07068	0.8
95.05017	2.7
97.02962	5.0
97.06587	12.0
99.04497	3.0
99.08138	2.2
101.02448	0.5
109.06580	1.3
109.96089	0.4
111.08129	1.7
119.08656	2.3
121.10223	1.2
123.08131	0.5
125.06077	6.1
135.08153	1.9
137.09729	3.0
139.11201	0.6
143.07135	54.2
144.07541	2.1
149.09700	1.1
151.06082	0.7
155.10800	1.1
157.08707	1.2
158.96622	0.5
165.09181	4.4
183.10251	5.3
197.11818	12.7
198.12219	0.9
205.95825	0.4
211.09732	0.8
215.12859	5.1
219.17482	1.2
225.11301	1.1
244.17795	0.4
263.16473	10.5
295.19147	0.7
313.20190	100.0
314.20517	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	313.2381
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
52.01528	0.6
58.00589	4.1
59.01369	1.0
64.76920	0.7
69.24618	5.2
81.62333	0.6
90.26257	0.6
97.06602	1.5
98.19917	0.9
99.08159	21.2
109.20503	0.6
127.07629	4.4
129.09225	22.2
171.10323	1.4
173.10831	1.0
183.13904	42.5
183.61308	0.7
184.14281	2.8
185.11842	1.5
193.15533	0.6
195.13850	3.7
201.11359	2.2
207.09964	0.9
250.21187	0.7
277.21750	3.2
295.22748	10.1
296.23041	0.8
310.04294	0.6
313.23825	100.0
314.24167	10.2
328.78049	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0717
Annotation	Sylpin
Peak:m/z	Relative Intensity
57.19668	0.2
59.01367	0.3
61.64507	0.2
62.43789	0.2
77.03964	0.5
91.31817	0.2
93.03469	0.3
98.20710	0.3
121.02953	100.0
122.02435	0.3
122.03275	3.6
180.05786	0.7
181.06583	4.1
182.06831	0.4
225.05557	6.8
226.05862	0.8
262.27280	0.2
269.08170	0.3
313.07156	13.7
313.23624	0.7
314.07434	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	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38698	0.8
57.03437	1.7
59.01380	6.2
61.98828	1.5
64.61263	0.8
70.94175	1.7
70.94512	1.1
71.01388	0.8
74.43401	0.9
92.35224	0.8
101.02435	0.9
109.77631	0.8
115.61563	0.9
123.97047	1.0
129.09189	0.9
139.11261	2.4
171.10249	10.0
183.01222	1.7
185.11804	1.4
195.13887	9.2
201.11314	2.3
211.13434	1.4
237.18532	2.5
238.18782	1.0
251.11475	1.0
260.77307	0.9
275.20065	4.9
293.21231	18.8
294.21448	2.0
311.22266	100.0
312.22672	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	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.8
59.01350	1.0
69.18616	5.3
97.06580	1.2
125.06078	0.8
125.09723	3.6
139.11281	1.4
141.09192	2.2
141.12811	0.7
148.75746	0.5
153.09207	1.2
155.14398	1.5
157.12332	0.9
167.10768	0.9
169.12328	0.6
171.10248	2.2
180.42810	0.5
181.15881	0.5
183.13837	0.7
185.11794	0.8
199.09776	0.6
200.10536	2.3
249.22208	1.9
265.21799	0.9
266.06760	0.6
267.23190	1.1
275.20142	0.9
283.22678	0.8
293.21222	7.4
294.21396	0.6
311.22266	100.0
312.22662	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.8
59.01359	0.7
59.52457	0.7
69.33565	1.4
69.33978	4.9
97.06607	0.9
116.03937	0.7
123.08132	0.9
125.09720	2.7
139.11267	0.9
141.09210	2.3
141.12914	1.6
153.09232	1.9
155.14397	2.0
157.12325	1.8
171.10254	2.9
199.09770	0.7
200.10527	3.9
202.05641	0.8
213.34251	0.7
225.38431	0.7
249.22227	1.6
265.21725	1.6
267.23318	0.8
293.21234	7.5
303.69174	0.7
311.22269	100.0
312.22635	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	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.6
59.01368	1.5
69.03473	0.9
69.80551	4.4
77.13859	0.7
81.03444	0.9
83.02911	0.6
83.05017	1.2
97.02934	1.9
97.06538	1.1
97.46076	0.7
99.08152	2.6
100.02886	0.8
103.56831	0.7
113.09705	2.7
121.10215	1.5
125.09706	2.7
127.11263	2.0
139.11302	9.8
155.10725	1.1
163.11302	1.2
165.12846	1.1
167.10789	1.0
169.12445	0.8
171.10269	36.0
172.10492	1.8
181.12401	0.8
183.13884	1.5
185.11765	4.4
193.12315	16.3
194.12666	1.3
197.11745	1.4
201.11339	2.5
211.13385	11.8
211.95801	0.8
249.22096	1.2
275.20123	1.9
277.16147	0.9
293.21228	25.6
294.21576	2.9
311.22253	100.0
312.22604	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	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01160	0.6
56.41239	0.7
57.03440	0.8
58.00605	0.6
69.91356	0.7
71.30864	1.0
86.93445	0.7
97.06584	1.1
97.67080	0.7
121.10233	2.7
123.08149	0.9
125.09705	4.5
127.11308	6.9
137.09717	1.0
139.11301	16.5
140.11626	1.3
141.12956	0.8
153.09236	1.3
153.98080	0.7
154.67039	0.8
155.10803	2.3
165.09172	0.9
167.10742	0.7
171.10265	100.0
172.10605	4.9
183.10275	4.8
185.11841	8.5
195.13918	1.4
201.09547	1.4
201.11331	18.1
202.11589	1.3
241.34500	0.7
275.20148	7.8
293.21228	15.6
294.21558	1.3
311.22275	98.7
312.22617	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.1
58.00562	0.9
59.01372	1.2
60.66420	0.9
69.83270	1.0
83.05016	1.1
93.00614	1.0
94.48665	1.1
99.08172	3.0
111.08134	1.1
113.09715	3.1
125.09750	1.4
127.11285	1.0
129.09213	6.8
135.20331	0.9
139.11267	3.8
155.10794	0.9
167.14447	1.1
169.12294	3.1
171.10281	14.9
172.10661	1.1
181.12334	4.0
181.56332	1.0
183.13885	2.6
185.11812	2.1
193.12332	4.8
197.11864	11.1
199.13435	4.5
201.11330	1.2
211.13391	20.5
212.13855	0.9
222.36882	0.9
229.34669	1.4
275.20169	2.4
293.21231	25.5
294.21588	2.7
311.22284	100.0
312.22632	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	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.0
63.53828	1.0
64.53098	0.9
71.00868	2.0
86.43196	1.0
97.06595	1.1
98.20203	1.6
99.08131	1.1
103.40709	1.1
113.09707	1.6
121.10214	1.7
125.09709	3.2
127.11263	4.4
129.09235	2.4
129.39726	1.1
133.09927	1.4
137.09688	1.2
139.11281	11.0
155.10776	2.9
171.10263	54.3
172.10602	2.6
181.12355	2.9
183.10242	4.9
185.11810	8.7
197.11794	5.6
199.13425	1.9
201.11327	8.0
211.13434	8.2
222.22813	1.0
235.15916	1.2
249.22371	1.2
265.91116	1.0
275.20157	5.1
293.21216	17.1
294.21472	1.6
311.22284	100.0
312.22617	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	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07759	0.6
57.03429	1.2
62.47131	0.5
69.03425	0.7
71.05009	0.9
83.05045	0.9
87.18832	0.7
97.02924	0.8
98.20757	1.1
99.08158	1.5
113.09715	1.8
121.10227	1.6
125.09686	1.4
136.75175	0.6
139.11295	4.9
151.11314	0.7
154.09929	1.0
159.84384	0.6
161.87651	0.5
165.12901	0.9
171.10266	14.0
177.12793	1.8
180.34499	0.6
182.88864	0.6
183.13803	0.7
185.11816	1.0
193.12338	7.2
193.16196	0.6
195.13962	1.1
197.11913	1.1
201.11421	0.9
209.11766	0.9
211.13408	5.7
249.22227	2.1
255.67856	0.6
267.83929	0.6
293.21228	50.7
294.21588	5.0
311.22263	100.0
312.22632	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	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.0
59.01377	3.4
69.03452	1.5
70.52701	2.8
71.05010	1.4
97.06611	1.1
100.80722	0.9
111.04023	0.9
111.08167	1.2
119.08707	1.7
121.10230	4.0
121.76306	1.0
125.09731	3.7
127.11320	3.2
137.09743	3.1
138.10088	2.1
139.11278	36.0
139.12334	2.1
140.11638	2.4
141.09145	1.0
162.59543	1.0
163.11320	1.2
171.10260	88.6
172.10606	8.3
173.10777	7.2
181.12350	2.6
182.89830	1.0
186.12227	2.1
187.12375	1.5
197.11833	1.3
201.11333	19.4
211.13425	3.7
225.11369	1.0
275.20169	13.0
293.21213	30.1
294.21439	2.5
311.22244	100.0
312.22604	11.1
330.44586	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	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.5
59.01367	1.7
71.01404	0.7
81.03481	0.5
83.05042	1.5
85.06593	2.3
95.05048	0.6
95.53629	0.5
97.06617	0.8
99.08173	0.8
109.06577	0.6
111.08136	0.7
115.07661	1.1
127.07655	0.5
129.09210	1.2
179.14410	0.8
181.12445	0.8
183.13910	4.8
191.17165	0.5
193.32552	0.5
195.13911	20.9
196.14281	1.5
225.64584	0.5
263.20142	1.9
275.19952	2.3
276.20419	0.5
291.19781	0.7
293.21246	12.3
294.21603	0.9
309.20801	0.6
311.22281	100.0
312.22647	8.9
315.70114	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93448	0.8
57.03444	1.9
59.01363	1.5
70.83677	1.0
70.84017	1.9
94.88334	0.8
97.06622	1.0
107.08620	1.1
125.09716	1.3
127.11310	1.2
139.11249	1.1
140.83701	0.7
141.12811	1.8
165.09171	1.2
171.10275	38.2
172.10631	2.0
183.10277	1.7
263.20105	4.4
271.51672	0.8
275.20126	9.4
293.21228	29.5
294.21558	2.9
311.22266	100.0
312.22620	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	311.1861
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
54.10881	0.4
57.03445	0.5
59.01383	2.1
59.22438	0.4
62.36094	0.4
67.74902	0.4
69.40692	0.4
71.53379	0.5
71.53764	0.5
78.14140	0.4
97.06580	0.5
108.44458	0.4
113.09715	0.5
117.71944	0.5
121.02937	1.2
122.03734	1.2
125.02467	0.5
136.05318	0.5
142.23898	0.4
167.14426	2.2
171.10233	0.9
193.15974	0.5
207.17593	1.2
211.13492	0.8
223.20715	2.2
231.17490	0.8
249.18588	4.0
250.19061	0.6
267.19644	100.0
268.20020	8.9
275.16510	7.3
276.16797	0.8
290.90109	0.5
293.17603	35.7
294.17972	4.4
311.03955	1.0
311.18640	32.6
311.22211	6.7
312.03180	0.6
312.18982	3.5
312.22150	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03503	1.0
59.01381	100.0
61.98821	1.8
69.88152	6.0
71.01382	11.1
73.02936	2.9
83.01394	1.4
84.12905	1.1
85.02963	4.7
89.02433	2.6
98.19915	1.2
99.00885	1.6
101.02449	8.9
106.97108	1.3
113.02438	4.0
114.05634	1.1
138.60497	1.2
149.02782	2.4
156.99821	1.5
159.02975	2.2
161.04614	10.0
206.95486	2.0
216.82661	1.1
251.11327	18.2
297.93979	1.2
311.07925	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	311.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96882	0.7
55.01869	1.4
55.26142	0.9
57.03447	1.6
58.00593	1.9
59.01381	41.4
62.13219	0.8
70.86016	2.1
71.01381	22.7
72.99308	1.8
73.02948	2.8
78.87544	0.9
83.01381	5.7
85.02958	7.9
87.00883	2.3
89.02444	16.5
95.01398	2.2
97.02951	1.4
99.00888	2.1
101.02443	17.5
113.02452	9.0
119.03492	6.8
131.01753	5.7
137.38750	0.7
148.54987	0.9
149.02777	48.6
150.03192	0.9
154.73186	0.7
161.04549	1.9
179.05692	1.0
191.03822	2.4
239.55914	0.7
246.68773	0.8
280.15720	0.8
311.08041	100.0
312.08395	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.9
59.01366	3.8
62.46994	0.7
66.37035	0.9
69.03445	2.9
72.07961	0.8
80.96521	1.3
83.05016	1.6
85.02976	0.8
90.03361	0.9
95.05032	1.2
97.02906	0.9
98.20617	1.6
99.72490	0.8
103.31720	0.8
107.08692	0.7
109.06551	1.3
109.45725	0.7
112.47654	0.9
118.56441	0.9
127.07594	1.0
137.09727	3.1
151.11270	2.3
153.09190	1.2
153.12817	1.4
155.10873	0.8
167.14394	1.8
169.12347	4.6
171.10223	4.2
175.14967	1.2
197.11823	48.7
198.12172	3.5
209.15395	0.9
211.13361	3.8
229.19543	3.8
230.19896	1.0
247.20663	1.1
261.18658	6.9
273.18591	12.9
274.18875	1.7
279.19571	3.3
291.19632	23.7
292.20056	2.4
309.20691	100.0
310.21014	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	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82594	1.3
57.03433	4.3
59.01366	4.1
69.03459	1.9
71.05018	17.1
71.16471	1.4
95.05017	2.4
97.06593	6.7
98.19929	3.2
100.41847	1.4
121.10217	6.0
123.08105	2.2
125.09710	5.8
137.09708	22.1
141.12839	3.3
147.77299	1.3
165.12845	3.7
171.10269	53.4
172.10672	2.5
181.12299	2.4
183.13869	2.1
183.95963	1.7
185.11813	8.9
193.15965	1.8
195.14009	2.0
197.11845	1.5
209.15486	1.8
211.13472	1.5
219.13971	2.1
223.13287	1.7
237.15031	2.9
247.20680	5.7
251.16487	13.8
291.19647	93.5
292.20142	7.3
309.20703	100.0
310.21051	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.1
59.01369	4.1
67.01869	2.2
71.00816	4.6
75.15831	1.7
79.95760	3.2
80.02660	11.8
81.03449	4.3
83.05022	29.8
84.02151	11.1
93.03468	2.0
95.05022	2.1
97.06584	3.0
99.08150	6.2
102.56725	1.7
107.35540	1.8
114.73161	1.9
115.07672	3.3
119.08585	2.3
123.04483	4.4
123.08149	2.2
125.09721	7.5
127.11282	6.9
137.09718	57.9
137.75636	1.9
138.10094	2.3
139.11279	15.2
151.07626	5.3
151.11256	3.3
152.08429	5.1
153.09171	7.8
155.10770	52.8
156.11008	2.8
163.11249	2.2
167.10739	3.4
169.12289	2.0
171.10266	64.4
172.10583	2.6
178.37465	1.9
186.25096	1.7
193.12302	22.3
194.12656	1.9
197.11826	3.0
209.11711	4.0
209.15414	5.2
211.13419	6.6
227.72668	2.2
247.20587	8.9
263.20123	6.3
265.21719	6.6
291.19641	73.3
292.19962	9.2
309.17307	4.6
309.20694	100.0
310.21185	9.9
320.23712	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	4.4
59.01369	8.1
63.38089	1.9
67.78166	2.0
69.03450	2.2
69.40070	2.0
70.94479	4.3
71.04997	5.0
107.08666	17.7
119.08669	26.5
125.09688	7.0
137.09697	4.8
155.10773	2.3
162.93848	1.9
171.10265	82.5
172.10568	4.6
175.14929	4.9
183.10223	7.2
185.11812	8.7
229.19621	22.0
236.91756	2.1
261.18628	19.1
263.20148	3.5
273.15863	3.8
273.18594	42.3
274.18942	5.7
279.19644	8.8
291.19647	63.4
292.19934	5.1
309.01318	24.9
309.20691	100.0
310.21008	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.1
57.18828	1.0
59.01357	3.8
70.86494	2.9
71.05021	17.3
75.88490	1.3
81.03426	2.4
83.05024	1.3
93.07144	1.2
95.05013	1.9
97.06596	5.4
107.05004	2.5
107.95084	1.3
119.08717	1.7
121.10248	11.1
122.78675	1.1
123.04515	1.1
123.08157	2.1
125.09724	8.8
127.11292	1.3
135.08090	1.5
137.09732	22.4
138.10094	1.2
148.08875	1.0
149.40144	1.0
171.10265	41.6
172.10619	1.7
185.11810	15.3
197.11819	3.9
209.11742	2.0
211.13341	1.3
219.13817	3.0
235.17030	2.5
237.14951	2.0
247.20538	1.6
251.16512	39.4
252.16867	2.5
273.18625	2.3
291.19659	100.0
292.19998	9.4
309.03683	1.1
309.20697	75.8
310.21082	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.9
70.94829	5.2
71.05010	4.8
97.06590	2.9
111.08152	36.3
137.09734	9.8
153.12744	2.0
169.12329	6.0
171.10242	13.0
181.12297	2.9
197.11815	100.0
198.12186	5.9
199.13446	3.6
209.15431	14.0
211.13336	12.8
223.16939	4.9
225.14952	6.7
227.12881	4.7
233.15430	4.4
251.16547	9.6
263.20090	5.2
265.18088	5.3
291.19583	34.3
292.20087	2.5
302.96118	2.4
309.17264	4.5
309.20636	46.6
310.21054	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.8
58.18411	1.1
59.01370	3.6
70.08166	4.9
71.05024	15.1
95.05032	1.3
97.06586	6.9
98.20223	2.9
107.05027	1.9
111.08163	1.7
119.08632	1.4
121.10224	12.1
123.08173	2.0
125.09714	10.2
135.08078	1.2
137.09718	23.6
141.12849	2.6
171.10263	44.9
172.10579	2.8
185.11830	18.2
186.12173	1.9
194.45793	1.1
197.11818	2.2
207.13884	1.8
207.17545	1.4
211.13374	2.3
219.13829	1.8
235.17076	2.0
237.14893	2.2
247.20784	2.4
251.13828	2.2
251.16513	47.2
252.16824	3.9
273.18582	2.0
291.19662	100.0
292.19968	8.0
309.20706	70.2
310.21060	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	309.2072
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03453	1.6
58.46332	0.7
59.01371	2.1
61.76107	0.7
71.54469	0.9
79.95722	1.9
83.04985	0.6
96.96014	16.2
99.00826	0.7
106.78052	0.7
107.08681	1.1
108.28654	0.7
137.09714	1.9
139.11279	3.3
151.03993	1.0
151.07600	3.0
152.08380	2.3
155.10764	1.4
167.10756	3.8
171.10252	1.4
179.14366	1.0
183.10251	1.1
185.11797	1.9
193.15977	1.2
199.13330	1.4
209.15491	3.6
211.13484	0.8
213.11287	3.4
213.35127	0.7
214.11916	2.6
218.85555	0.7
227.12840	1.2
240.13567	4.2
247.20691	2.3
251.37869	0.8
263.25952	0.7
265.17993	1.1
265.21335	1.0
267.16736	0.7
273.18793	0.7
277.21667	3.1
291.19681	25.7
292.19977	2.6
309.17294	18.8
309.20651	100.0
309.24225	6.2
310.17523	1.8
310.20956	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	5.6
59.01361	5.2
66.17552	1.2
69.03463	1.5
73.02927	2.8
83.05014	2.3
84.15816	1.2
97.06603	6.8
97.07128	1.3
99.00844	1.6
107.27313	1.2
111.08154	2.6
123.08168	8.0
123.67126	1.5
125.09728	37.5
126.10009	1.5
135.08151	1.7
137.09741	5.8
139.11292	11.2
141.09137	1.9
151.03989	1.9
151.07582	2.9
152.08415	3.4
153.09207	20.4
155.10779	100.0
156.11029	4.7
161.04836	1.4
165.09210	13.7
171.10185	6.5
183.10263	36.7
183.13821	4.4
184.10452	1.5
185.11757	3.6
193.15897	2.0
197.11688	1.9
198.23370	1.4
199.09703	1.9
209.11633	1.3
209.15417	5.0
211.16899	1.4
219.17259	1.5
247.20680	16.6
265.21698	8.9
273.18564	2.4
281.21033	2.5
282.71368	1.3
291.19638	25.2
292.19843	2.3
300.76938	1.4
309.15033	4.9
309.17160	6.0
309.20593	39.6
310.20920	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88366	1.5
57.03450	1.8
67.01899	2.3
70.53386	3.3
71.05019	5.1
80.02682	10.5
81.03454	5.6
83.05022	33.6
84.02171	15.0
85.06531	1.5
90.58870	1.7
95.05029	2.6
97.06570	5.8
99.08138	8.3
109.06616	3.5
113.09721	2.6
115.07634	4.2
123.04495	4.5
125.09706	6.1
127.11292	6.1
137.09720	56.0
139.07649	1.9
139.11267	8.9
151.11272	5.2
153.09192	7.5
153.12827	2.6
155.10777	60.8
156.11118	2.6
167.10799	4.0
171.10277	49.3
172.10603	2.5
193.12335	28.7
194.12666	2.7
209.11801	4.3
211.13326	4.8
247.20682	7.3
263.20093	7.4
265.21689	5.9
273.18668	3.0
277.62976	1.7
291.19659	100.0
292.20013	11.1
309.20685	80.4
310.21127	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14724	1.2
57.03434	1.9
57.52718	1.3
59.01370	2.9
64.64600	1.3
67.10932	1.4
69.03456	2.2
70.10296	1.3
70.80109	1.5
81.03445	3.8
82.54973	1.3
83.01369	9.8
83.05012	4.0
97.06572	5.4
99.08161	1.7
109.06608	1.6
111.08125	2.9
123.04510	4.0
123.08125	3.0
125.06041	2.5
125.09689	10.3
137.09686	1.7
139.11284	10.4
151.11176	2.0
155.10779	1.5
160.04042	1.4
163.11345	7.2
165.12866	15.2
167.10727	6.0
171.10243	5.2
181.12282	3.9
185.11890	1.4
191.10732	3.3
193.12305	1.7
193.15932	5.6
203.34676	1.5
209.09891	2.8
209.11813	46.8
210.12125	3.5
211.13445	1.9
247.20648	13.7
263.20108	2.0
265.21686	3.3
265.76450	1.4
273.18622	2.7
281.21249	1.7
288.65338	1.7
291.19650	100.0
292.19995	9.8
301.79529	1.4
309.15332	3.0
309.17035	1.9
309.20676	36.9
310.20905	3.1
327.95178	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	8.5
71.13398	0.8
83.05023	1.5
85.38237	0.5
93.03428	0.6
95.82184	0.6
107.08678	2.7
108.05803	2.5
118.55256	0.6
119.08659	14.0
121.10210	0.6
124.96352	0.6
125.09713	1.4
127.11302	2.0
135.08145	3.9
137.09723	50.5
138.10068	2.4
171.10268	100.0
172.10625	5.2
185.11819	1.2
201.11319	10.1
229.19667	1.2
229.33716	0.6
247.20903	0.6
273.18616	4.8
291.19641	9.0
309.20709	16.0
310.21021	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.3
62.99586	1.1
63.66803	1.1
64.55744	0.9
70.85484	2.0
70.85806	1.5
80.62540	0.9
84.47842	1.2
86.90234	0.9
97.06602	1.0
123.08137	2.4
125.09708	6.2
127.11281	2.0
137.09712	1.7
139.11253	1.7
141.09241	1.7
141.40422	1.1
153.09195	1.4
171.10237	4.9
196.65651	0.9
199.09781	5.6
200.10492	6.4
201.11302	4.6
213.11293	1.1
237.78249	1.1
247.20667	6.8
263.20090	1.1
265.21707	1.5
273.18625	1.7
291.19681	16.8
292.20160	1.1
295.99753	0.9
301.53745	1.2
309.20703	100.0
310.21066	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.3
59.01366	3.0
69.03458	6.1
70.64676	4.9
76.82262	1.8
93.03448	2.1
107.08670	2.8
108.05882	2.8
119.08681	17.5
125.09715	6.5
127.11343	2.5
130.64526	1.9
137.09723	30.0
155.10773	4.8
165.74515	1.9
167.10773	4.3
171.10274	100.0
172.10648	6.5
183.10278	5.6
185.11827	24.0
196.04628	1.9
201.11292	7.4
209.15477	2.1
213.11310	7.5
229.19614	3.1
251.16556	2.3
273.18625	8.6
291.19678	39.8
291.22961	2.1
292.20056	2.1
305.86835	2.0
309.17172	4.1
309.20633	43.6
310.21024	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85658	0.7
57.03457	0.9
59.01386	1.9
67.96306	0.7
69.03468	2.1
70.44338	2.5
80.02695	1.4
83.05034	1.4
85.02966	1.4
85.35682	0.7
85.50381	0.7
91.12769	0.6
96.27401	0.7
97.02949	17.1
109.06573	0.9
119.08669	2.4
123.04567	1.8
123.08134	1.7
125.09750	1.3
137.09720	9.7
151.11322	3.6
153.12900	0.7
155.10767	0.8
171.10280	13.9
177.12871	1.6
185.11842	2.6
193.12555	0.8
195.13951	3.5
201.11357	1.4
211.13448	1.7
221.11833	5.0
239.12959	3.0
240.13705	1.4
247.20663	6.1
262.38239	0.7
266.64890	0.7
273.18564	2.3
288.09909	0.7
291.19650	100.0
292.19971	10.9
304.19910	0.7
309.20697	54.7
310.21057	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.7
68.98991	1.2
69.03452	6.0
71.01373	1.7
71.20110	1.8
71.20445	1.4
83.05006	1.5
93.03479	2.5
94.55546	1.7
95.05028	45.0
107.05030	1.3
107.78667	1.3
108.05800	3.4
115.48135	1.3
167.10725	1.7
171.10287	1.4
179.14397	2.2
181.12386	1.7
183.13907	26.6
195.13925	12.6
205.12375	5.4
211.13406	23.8
212.13644	1.4
221.15536	1.7
223.13423	24.6
229.19547	2.9
235.17171	1.7
247.17336	1.2
247.20493	2.3
256.13104	2.0
261.18509	7.2
269.96860	1.5
273.18555	17.1
274.18799	1.5
279.19647	16.9
291.19681	44.1
292.19998	3.9
309.20709	100.0
310.21063	6.4
328.34399	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.6
57.58143	0.7
58.53760	0.7
59.01372	1.5
64.02622	0.7
67.14224	0.7
67.30716	0.7
69.93665	1.2
69.94075	3.1
73.02955	0.9
83.05016	1.3
83.17036	0.8
84.22840	1.0
97.06656	1.0
109.06551	0.8
123.08160	1.2
125.06059	0.8
125.09741	6.9
127.11308	2.2
137.09723	1.5
141.09201	1.5
153.09227	2.1
155.10817	1.8
171.10266	5.4
175.01546	0.9
183.13892	1.0
185.11884	0.7
199.09746	4.8
200.10518	7.2
201.11272	5.8
211.16852	0.9
227.13202	0.8
247.20663	6.1
263.20267	1.2
265.21713	2.3
273.18607	1.7
288.60068	0.7
291.19672	17.5
292.20175	1.2
309.20694	100.0
310.21042	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	309.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17791	0.4
63.95229	0.3
79.95734	10.4
80.07962	0.3
80.96509	0.7
94.98073	0.7
95.95223	2.6
96.96011	90.0
97.95961	0.4
112.27541	0.3
122.97559	3.0
124.47730	0.3
138.97084	0.5
151.07672	0.5
152.08401	0.8
188.96069	0.3
203.74908	0.3
209.15437	1.2
270.74365	0.4
309.17398	100.0
310.17712	8.4
310.21280	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1191
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
57.03437	1.1
58.00571	2.9
59.01377	95.5
68.90185	1.0
70.05887	1.1
71.01382	47.1
71.08239	1.6
72.01726	1.3
72.99306	4.9
73.02951	2.0
83.01405	2.4
85.02946	9.6
87.00890	2.3
89.02441	59.9
90.02795	1.6
95.01388	3.1
100.56673	1.0
101.02441	34.1
113.01705	1.9
113.02441	20.6
119.03495	27.6
129.05562	1.5
131.03520	2.4
143.03482	1.8
144.32887	1.0
147.06560	1.5
149.04486	1.6
160.06020	1.0
161.04536	2.6
179.05612	4.3
181.72194	1.0
237.94778	1.0
309.11893	100.0
310.12241	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	309.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70563	0.9
57.03448	1.1
59.01381	100.0
60.01721	1.2
71.01384	2.0
73.02931	1.0
80.96519	2.5
85.02946	1.5
96.96006	3.5
98.95599	10.1
98.96451	2.2
101.02439	2.6
114.05612	0.9
117.03474	6.8
119.05028	11.6
135.04636	0.9
145.02953	32.5
146.03278	1.7
161.04607	1.0
161.06065	1.4
163.04015	10.9
187.04005	5.3
209.11786	1.5
227.12874	2.1
249.07726	1.4
249.13437	3.7
309.04858	1.0
309.09546	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	309.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39661	0.8
54.22824	1.2
56.64136	0.9
59.01381	100.0
71.01387	3.6
71.54168	1.7
73.02953	1.5
79.95712	1.4
80.96535	2.8
85.02950	1.8
91.38018	1.1
96.96041	5.1
98.95596	7.3
98.96437	1.4
101.02459	2.1
114.05600	1.4
117.03475	7.2
119.05021	9.0
120.33127	0.9
135.52979	0.9
145.02960	33.5
146.03311	2.5
161.06070	1.8
163.04016	6.9
187.03989	4.1
205.05168	1.2
209.11809	1.9
227.12823	2.6
249.07652	2.0
249.13445	3.8
267.35037	1.1
295.06006	2.0
309.04880	1.1
309.08466	4.6
309.09692	4.4
309.13318	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	307.228
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
59.01368	0.8
70.48933	1.2
71.01375	0.5
104.05577	0.3
137.66899	0.4
140.10579	0.4
170.41931	0.4
202.47284	0.4
204.01239	0.3
300.94061	0.4
307.22775	100.0
308.23117	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	307.2643
Annotation	5(Z),14(Z)-Eicosadienoic Acid
Peak:m/z	Relative Intensity
65.99844	0.6
70.79956	1.1
87.61755	0.6
102.50930	0.5
120.19830	0.6
129.05099	0.5
157.58554	0.6
165.71651	0.7
168.25433	0.6
307.26419	100.0
308.26718	9.5
315.84909	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1866
Annotation	6-Hydroxynobiline
Peak:m/z	Relative Intensity
56.33661	0.3
58.02974	1.8
59.01374	0.4
71.01337	0.8
71.01684	0.4
80.96535	0.5
81.03472	0.4
95.05011	0.4
109.06631	0.4
114.09239	7.0
114.09994	0.4
116.07178	100.0
117.07502	2.5
123.38460	0.3
137.09755	0.9
165.12936	0.7
171.10349	1.8
249.64653	0.3
287.76291	0.3
291.19614	0.4
304.64798	0.3
308.18677	25.2
309.19260	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93083	2.5
57.33905	3.1
59.01379	46.6
61.98815	9.4
66.32268	2.9
66.45103	2.8
69.40622	17.9
69.41031	4.9
71.01373	22.3
72.99284	6.3
73.02955	4.5
79.29831	3.0
85.02945	38.0
87.00923	3.3
89.02449	28.5
93.03548	2.9
99.00908	14.0
101.02450	18.4
113.02431	9.3
117.02004	6.5
119.03514	9.1
128.03508	6.7
129.01945	100.0
131.08269	3.9
147.06651	3.8
151.12811	3.2
156.99890	5.7
220.41057	2.8
280.67352	2.8
309.11859	58.2
310.12543	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57081	1.8
55.01867	5.1
57.03435	6.2
59.01371	5.6
65.03961	64.2
69.17278	20.6
71.01389	3.5
71.05021	41.7
79.63449	2.1
83.05023	3.5
94.70641	2.1
95.15823	2.3
97.06590	68.4
101.72830	2.1
105.13605	1.9
119.08646	14.9
121.06598	100.0
123.08177	4.5
125.09720	45.2
125.98657	2.7
135.08144	2.7
137.09686	5.7
161.04636	2.2
185.11823	83.0
186.12131	5.3
209.11818	36.2
210.12224	3.1
211.13402	34.5
235.13391	97.3
236.13742	8.5
244.02797	3.3
245.19029	2.4
249.14960	3.4
281.47223	2.2
289.18097	20.8
307.01563	81.7
307.19138	38.0
308.01822	6.5
308.19528	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	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.3
57.03436	5.0
59.01375	2.9
65.03965	59.9
66.04278	2.0
69.03442	1.6
71.04642	2.4
71.05021	37.4
72.99252	1.1
75.78053	1.0
76.02827	1.0
80.02699	1.8
83.04996	2.6
95.05014	1.1
97.06592	62.0
98.06919	2.1
99.17444	1.1
109.06617	1.5
119.08655	11.3
121.06598	100.0
122.06920	3.5
123.08145	4.2
124.41425	1.2
125.09727	42.4
135.08148	1.4
137.09700	3.4
141.12862	2.3
149.52769	1.1
165.13036	1.7
173.13356	1.9
185.11833	79.9
186.12167	3.4
199.13466	1.8
209.11813	32.4
210.12109	2.5
211.13414	31.3
212.13759	1.5
217.12276	1.7
235.13391	92.0
235.38533	1.2
236.13757	6.8
245.19185	1.2
246.69949	1.3
251.16522	1.3
289.18085	19.8
290.18298	1.8
307.19138	32.2
307.22574	2.7
308.19342	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	307.1915
Annotation	Albocycline
Peak:m/z	Relative Intensity
57.03448	2.8
59.01369	5.0
59.51136	1.2
62.19452	1.3
68.63417	1.3
69.21865	3.6
69.22274	8.8
71.01377	2.7
72.24529	1.2
74.61138	1.1
77.67701	1.3
85.02957	1.5
89.02435	1.5
93.28163	1.1
95.05018	1.7
97.06572	2.3
100.07010	1.3
101.02467	1.3
101.98646	1.3
107.05023	1.3
121.06597	3.0
123.04515	4.2
123.08162	15.5
125.09689	2.2
135.04587	1.7
137.09740	2.5
139.11319	5.9
142.02707	2.0
149.09691	1.7
149.90172	1.3
151.11298	2.6
155.14380	3.1
158.46445	1.4
179.03453	1.4
183.10153	1.9
187.68655	1.4
189.57315	1.2
199.13397	24.7
200.13701	2.2
217.15971	1.6
221.11856	2.4
223.95305	1.2
233.15535	2.6
245.19043	11.6
247.17062	1.9
259.11694	1.3
263.20087	2.4
271.16895	2.6
289.18085	57.7
290.18460	5.7
307.19138	100.0
308.19504	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	307.1915
Annotation	Albocycline
Peak:m/z	Relative Intensity
56.63055	1.4
57.03445	2.8
59.01372	6.8
70.13695	6.9
71.01385	2.7
77.88708	1.6
101.02383	2.0
105.56878	1.4
121.06569	3.6
123.04527	3.3
123.08173	13.0
125.09687	2.2
137.02478	1.5
139.11279	4.9
142.02802	2.1
160.15808	1.5
161.04578	2.6
183.10222	2.0
199.13371	27.2
221.11871	2.2
239.12909	2.1
245.19130	12.0
247.16826	2.4
253.62724	1.5
279.19482	2.1
289.18097	59.1
290.18442	4.6
307.19131	100.0
308.19534	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	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03865	0.7
59.01376	3.1
68.01179	0.6
70.38866	0.6
70.39200	1.8
71.01369	0.8
71.05025	5.5
73.02965	0.7
80.02713	0.7
81.03457	2.4
83.05007	1.8
85.02880	0.7
86.29930	0.7
95.05042	1.5
97.02969	0.8
97.06573	1.4
98.03737	2.5
98.56567	0.6
100.89663	0.6
105.15425	0.6
106.04269	1.0
107.04988	0.6
109.02927	0.9
109.06584	16.7
111.04511	7.5
111.08157	1.4
112.05322	1.1
120.05782	0.8
121.06581	0.7
123.08161	1.7
125.09734	1.3
127.07649	3.4
135.08157	1.0
137.06053	1.0
137.09718	2.6
143.10704	1.4
145.06575	2.8
149.09747	1.6
159.08163	0.7
167.10756	2.0
171.84557	0.6
177.12924	0.8
179.10759	1.1
191.14642	0.8
195.13930	4.3
219.81862	0.6
221.43735	0.7
235.13429	1.8
245.19090	6.7
249.14938	0.9
249.65378	0.9
251.16502	1.1
263.20187	0.7
271.17084	1.8
273.14938	1.3
287.16547	2.2
289.18094	100.0
290.18427	11.4
307.19138	14.2
307.22586	1.4
308.19537	1.7
311.25241	0.7
318.22607	0.6
321.87512	0.6
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	Unknow
Peak:m/z	Relative Intensity
53.98183	1.1
57.03427	3.2
59.01363	4.5
60.67634	1.2
69.03454	1.3
71.01355	1.6
78.92135	1.1
80.02671	1.5
86.37486	1.0
95.05023	1.5
97.02920	1.8
97.06580	4.5
98.20112	5.6
102.01080	1.2
107.08633	1.9
109.06565	1.0
119.08671	2.8
121.06608	1.3
123.08172	10.6
125.09725	16.4
135.04411	1.1
135.08121	4.1
137.09720	8.9
139.11234	1.6
141.09171	1.3
151.07602	3.5
153.09183	2.1
153.12816	2.4
167.10783	1.6
171.10202	1.5
177.09177	1.5
181.12306	4.2
183.10292	1.4
183.13860	3.0
187.09644	1.4
191.14439	2.1
193.05083	1.1
196.07320	3.0
199.09709	2.9
209.15422	7.3
213.11310	4.8
217.15845	1.2
235.20393	1.3
245.19066	28.8
245.21526	1.4
246.19409	2.8
263.20142	12.3
264.20670	1.2
271.16782	2.0
273.78473	1.1
279.19708	1.8
289.17996	32.8
290.18268	2.8
307.19064	100.0
308.19507	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	307.1914
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03437	3.4
57.68106	1.2
59.01379	3.1
60.57823	1.4
71.00543	3.2
85.46211	1.4
90.05249	1.4
97.06573	4.4
99.82783	1.5
107.08672	26.8
108.09025	1.8
116.59279	1.3
119.08654	5.8
123.08175	3.4
125.06071	2.0
125.09718	16.5
135.08124	3.3
137.09714	10.1
141.09171	2.1
144.42413	1.3
151.11269	3.3
153.09195	1.8
155.10683	1.5
171.10295	6.7
177.09198	1.3
181.12379	1.8
191.14444	2.1
199.09738	25.5
200.10504	8.8
201.11218	1.7
209.15408	3.6
213.11331	7.8
217.16011	1.6
226.12115	1.9
245.19077	22.8
246.19263	2.6
248.31480	1.5
261.18649	2.4
263.20212	7.2
271.17194	2.1
279.19568	1.8
289.18091	38.0
290.18436	3.6
307.19138	100.0
308.19388	8.7
309.23090	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.14
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
59.15636	1.0
60.01716	0.9
61.57958	0.7
62.65082	0.8
69.57928	1.5
69.58338	4.5
71.01389	6.0
85.02969	2.7
89.02453	5.0
96.96020	7.1
98.95594	5.3
101.02450	4.9
113.02453	1.9
115.92136	0.8
119.03513	2.8
127.07659	1.7
133.02977	0.9
135.04536	4.5
136.82906	0.7
161.04565	1.4
179.03508	6.1
225.11263	1.5
235.19716	0.8
252.67336	0.7
307.06918	2.8
307.08807	3.7
307.14041	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	5.1
57.14353	1.7
57.56257	1.9
58.48487	1.7
59.01381	5.1
69.03461	2.5
69.20437	19.4
81.03459	5.6
83.01387	8.2
83.05048	4.3
83.26474	1.7
95.05046	3.8
97.02947	5.4
97.06607	11.0
98.19859	4.2
109.06598	2.2
117.63215	1.8
121.06583	3.2
122.94700	2.1
123.04535	9.8
123.08173	4.4
125.09731	18.7
135.08121	3.7
137.09708	14.3
141.12827	3.3
149.06087	2.7
160.08958	2.3
163.11270	15.6
165.12849	5.2
181.12325	3.2
185.11813	21.7
191.10840	3.0
191.14427	22.1
192.14763	2.2
207.10291	11.4
209.11815	32.1
217.15892	2.8
225.11305	12.4
245.19095	46.0
246.19395	2.9
263.20001	3.3
271.16992	4.9
289.18097	100.0
290.18469	8.9
307.19122	55.0
308.19461	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	307.1398
Annotation	NSC-224070
Peak:m/z	Relative Intensity
55.01874	0.9
57.03448	1.1
58.00579	2.2
59.01378	100.0
60.01714	1.6
67.86220	0.8
70.13005	3.2
71.01382	27.0
72.99290	2.2
73.02937	2.8
78.15964	0.7
83.01376	2.8
85.02941	7.8
87.00875	2.7
89.02445	24.2
93.03439	3.6
95.01347	1.7
96.96003	4.6
98.95591	6.2
98.96457	1.3
99.08141	3.6
101.02438	18.3
110.33380	0.9
111.04549	0.9
113.02447	10.6
119.03500	8.3
119.04987	1.7
120.99649	2.8
127.07665	7.6
133.02977	0.9
135.04523	5.8
143.03568	1.0
145.08713	14.3
153.13242	0.8
153.85765	0.8
161.02402	3.6
163.03989	1.3
165.01151	0.9
173.04529	2.4
179.03477	7.0
180.03511	3.7
220.07973	1.0
225.11311	2.0
263.07147	1.4
307.06424	3.3
307.08429	4.0
307.13956	92.6
308.08737	1.1
308.14313	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	307.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.1
59.96701	0.5
73.58114	0.4
74.99078	6.5
91.02220	2.4
93.00128	1.6
98.20687	0.9
106.07313	0.4
125.09759	0.4
135.04430	0.5
137.09691	0.5
143.05309	0.5
149.00937	2.2
159.08459	6.9
161.06369	1.5
192.98149	0.4
206.99696	1.5
209.01234	2.6
213.11336	0.5
217.07326	0.6
223.02826	48.5
224.02853	4.4
225.00771	0.4
241.03957	0.4
245.19092	1.3
275.05908	0.6
289.07559	1.9
289.18143	1.1
291.09094	100.0
292.09210	12.1
307.12238	1.8
307.19235	4.1
307.22556	0.7
308.12439	0.5
309.10153	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.4
55.56075	0.5
57.03458	1.1
57.47172	0.6
58.00587	1.6
59.01380	46.6
70.38992	2.0
71.01379	21.3
72.99310	1.6
73.02946	2.1
77.31731	0.7
83.01383	1.7
85.02946	6.0
86.00011	0.6
87.00868	1.5
89.02443	23.4
95.01377	1.9
98.19948	0.6
98.51673	0.5
99.00835	0.8
99.08157	23.1
101.02449	14.8
113.02443	7.6
119.03510	8.5
127.07671	3.7
129.09189	2.5
135.35513	0.7
141.09172	1.5
145.08704	67.6
146.09030	2.1
148.83118	0.7
149.04514	0.7
161.04532	1.0
172.26686	0.6
179.03441	0.8
179.05592	1.2
187.09769	2.1
204.85701	0.6
307.13974	100.0
308.14331	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96719	0.5
60.97515	0.4
63.95274	0.3
69.03452	0.4
69.87657	0.7
69.88076	0.6
72.99302	0.8
74.99073	7.1
91.02219	2.7
93.00137	1.6
95.14977	0.3
108.40726	0.3
111.08128	0.4
113.09713	0.3
123.08143	0.6
135.08070	0.3
137.09702	1.1
141.09213	0.7
143.05342	0.6
149.00964	3.0
159.08470	6.8
159.09767	0.4
161.06380	1.6
187.09746	0.5
192.98114	0.8
204.08913	0.3
206.99573	1.4
209.01268	2.8
210.99634	0.4
217.07259	0.7
223.02827	49.4
224.02855	4.1
241.03929	0.6
258.53928	0.3
261.18610	0.5
289.07535	2.1
289.18094	0.5
291.09091	100.0
292.09210	12.2
307.12286	2.3
307.19141	6.8
308.19482	0.7
309.10184	0.8
312.67343	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72970	0.6
57.97733	0.7
58.30767	0.5
59.01372	2.6
60.52640	0.6
60.97527	1.3
69.45633	4.9
71.01388	2.6
72.99310	1.1
73.02959	1.3
73.98326	3.0
74.99097	100.0
75.99406	1.0
78.95911	9.9
83.01392	0.8
85.02950	1.4
87.00890	0.9
89.02454	0.7
91.46494	0.6
96.96965	8.9
99.04501	1.0
101.02444	2.5
113.02464	1.0
119.51038	0.5
120.99615	0.8
128.06436	0.7
135.04466	1.3
136.99146	65.5
137.99466	1.0
161.04588	2.0
167.10783	0.7
173.04568	0.6
179.03535	1.8
185.11870	3.2
189.12766	0.7
191.00168	1.2
192.00764	1.1
219.10580	6.6
250.01811	1.3
251.02110	4.6
252.01393	0.8
307.05270	0.6
307.09253	1.6
307.12253	6.6
307.17996	0.7
308.12695	0.8
326.01904	0.8
326.78854	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0858
Annotation	CHEBI:91169
Peak:m/z	Relative Intensity
57.03430	0.4
58.90699	0.3
59.01379	19.2
71.01386	1.0
71.53623	0.4
79.95737	1.6
80.96548	0.4
83.01391	0.5
85.02952	0.7
89.02481	0.3
96.96010	100.0
99.00833	0.3
100.04028	0.6
101.02438	0.9
109.06572	0.4
113.02457	0.4
115.05106	0.6
123.08177	0.4
130.05098	1.2
133.02953	0.5
133.06941	1.1
135.04529	7.8
136.04898	0.3
146.54082	0.3
161.02440	0.6
161.04578	0.4
164.07155	0.3
165.12831	1.5
167.10759	1.1
171.16797	0.3
179.03488	6.7
179.04962	0.5
180.03683	0.3
183.36743	0.3
209.11717	0.6
227.12878	19.7
228.13211	1.1
263.10373	0.6
307.08548	67.9
308.08853	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	306.9756
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98534	0.4
69.77825	1.6
81.64661	0.3
121.03039	0.5
127.75166	0.2
129.06221	0.3
130.43375	0.2
132.77309	0.3
154.40579	0.3
161.98933	1.5
162.98517	0.8
163.98636	0.4
164.96390	64.1
165.96498	3.8
206.97441	25.9
207.97540	1.7
258.23721	0.3
264.96570	0.3
306.97522	19.0
307.97540	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	306.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	6.6
66.85973	1.4
70.01537	7.7
70.97936	1.4
71.01376	4.2
81.03417	1.9
83.04976	1.9
87.64841	1.6
94.06661	1.4
98.19929	1.5
119.60434	1.8
125.09734	2.6
130.81931	1.8
137.09718	2.6
168.10309	5.9
169.12346	3.0
171.10287	12.0
174.12933	2.1
183.15991	1.8
190.16034	2.1
197.11905	3.1
200.14427	1.8
211.13400	2.3
216.63716	1.9
230.42636	1.8
232.66185	1.8
244.20753	10.7
260.16562	2.1
270.18631	6.6
276.20953	6.4
288.19693	27.1
289.20447	5.9
305.06671	1.7
306.20758	100.0
307.16125	1.9
307.21283	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	306.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03758	2.7
57.03438	8.3
59.01363	11.7
61.98792	3.2
69.03456	6.5
71.01373	10.2
71.09579	5.3
81.77633	2.6
83.05022	4.6
86.54470	2.9
95.70004	3.1
97.06607	13.5
98.03696	3.6
100.05969	2.9
109.06565	3.4
111.08160	8.1
121.06590	4.4
123.04530	3.5
123.08157	3.7
125.09718	9.7
126.36513	3.4
135.04503	2.8
135.08151	4.2
137.06108	3.4
137.09717	4.7
149.09618	4.9
151.11247	19.5
153.09167	7.6
153.12886	2.7
155.10796	7.6
163.11316	3.6
165.12842	18.6
167.10692	6.4
169.12410	3.3
171.10254	11.1
179.10735	5.2
181.12303	22.5
185.11803	15.9
191.10770	8.4
191.14429	4.7
209.11833	38.1
211.13393	10.1
220.13400	3.2
244.20621	4.5
245.19048	22.5
260.16638	5.9
261.18494	3.5
263.20117	16.9
271.16907	3.0
276.20917	10.3
279.19577	4.0
288.19656	18.2
289.18027	48.4
289.20953	4.1
300.11252	3.0
306.20743	100.0
307.10580	4.1
307.13718	4.0
307.18909	76.2
313.42447	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	305.1759
Annotation	Corrin
Peak:m/z	Relative Intensity
57.03451	1.8
59.01381	3.3
59.91807	0.7
65.03983	3.7
69.03458	0.9
70.99368	1.7
71.05018	7.1
73.02949	0.8
73.90916	0.7
79.05531	13.5
81.03493	1.0
83.05039	1.2
85.02948	1.0
90.48087	0.8
93.03448	1.8
93.07083	0.8
94.04234	0.8
95.04999	2.1
96.04058	0.7
97.06584	15.8
106.04252	8.0
107.05038	3.1
109.06588	3.3
116.27228	0.8
119.05014	1.8
120.05823	5.8
121.06612	6.4
123.08162	6.9
125.06045	1.3
125.09716	18.0
133.06602	1.9
135.08162	100.0
136.08528	4.5
137.09702	2.2
137.66162	0.7
139.11281	1.3
151.11281	3.0
161.06055	1.9
161.09734	1.0
162.06876	1.3
162.29688	0.7
163.11325	1.0
171.10304	1.0
177.12869	1.2
179.27307	0.7
183.10118	1.0
185.11806	2.2
189.12914	1.6
199.13396	1.8
205.15999	6.4
207.10220	2.6
209.11777	2.0
221.11844	2.0
231.13799	2.0
235.13405	1.1
243.17587	1.4
249.14943	50.2
250.01917	0.9
250.15222	3.9
261.18588	0.9
263.16461	2.8
269.15448	2.2
287.16483	11.2
288.16809	1.0
305.08261	2.7
305.17557	73.4
306.17929	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	305.2486
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
70.90634	0.5
71.01382	0.8
73.02959	0.4
75.87631	0.4
96.17130	0.5
138.89505	0.4
144.20090	0.4
305.24841	100.0
306.25171	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	306.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15357	0.3
59.01376	0.5
61.98820	0.6
65.99845	0.7
69.33759	3.0
73.02945	0.4
74.02458	0.4
75.82191	0.3
82.99601	0.4
96.96028	0.4
100.04056	0.9
115.05085	0.7
120.01254	1.4
125.78919	0.4
128.03578	0.6
134.00766	0.6
135.04543	0.5
143.04675	0.9
146.00745	0.5
147.01472	0.6
148.99368	0.4
162.00221	2.8
162.98587	1.7
163.01003	0.4
163.99402	2.6
167.01729	0.8
177.00240	0.8
177.99681	0.5
189.00237	0.8
189.98289	0.2
189.99684	23.0
191.00473	45.6
192.00807	2.6
198.89078	0.3
203.49817	0.3
204.01288	1.4
206.02841	0.8
208.00710	1.0
221.99915	1.1
222.02281	1.1
223.00714	2.1
229.01970	0.7
233.98695	0.4
234.99327	4.2
236.00159	2.3
249.00946	1.8
250.01785	100.0
251.02106	6.0
262.01825	1.0
263.02557	1.5
272.08954	0.4
288.03305	2.0
291.06781	0.5
306.04404	9.6
306.08243	0.5
306.13263	0.3
307.04886	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.0579
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20423	1.1
54.66000	1.0
59.01392	1.1
61.98830	100.0
62.70053	1.0
70.27099	1.6
70.27422	2.4
72.99310	1.8
73.79591	1.0
90.58506	1.1
90.65808	1.3
98.60826	1.2
101.46315	1.1
101.98087	3.6
115.00358	2.3
133.01410	3.3
141.99370	1.4
174.00175	1.3
286.12888	1.1
326.39825	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.0578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86096	1.0
61.98830	100.0
71.53205	1.1
85.08585	1.1
92.86780	1.2
95.69415	0.9
96.94110	0.9
102.39758	1.2
112.02422	1.1
140.10605	1.2
163.98694	1.0
172.12192	1.1
179.51439	1.0
180.27249	1.1
206.16183	1.0
246.45258	1.1
246.81757	1.2
249.95950	1.1
270.26971	1.0
291.86890	1.1
304.97180	1.1
323.36615	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	1.1
58.02969	2.7
59.01383	39.6
61.98828	3.0
63.96242	1.5
67.01897	7.2
70.09660	4.0
71.01391	6.9
71.05016	1.7
72.59719	1.0
73.02937	1.9
74.02478	3.9
79.95734	1.7
81.03468	2.5
82.02967	1.0
83.01378	1.6
85.02959	4.5
87.04504	1.1
89.02449	3.4
95.04975	1.0
96.96015	83.1
97.06611	1.8
99.04530	5.0
99.05640	4.1
100.00429	1.1
101.02441	2.8
109.06581	1.6
111.00884	100.0
112.01241	2.7
113.02444	2.3
113.68872	0.8
114.05647	1.9
115.04020	3.1
116.88207	0.9
119.03519	1.5
125.02441	1.1
125.06091	1.1
128.03557	10.8
130.08740	20.9
135.08115	1.3
141.06734	1.0
143.03493	48.7
143.04616	14.4
143.07120	1.5
144.03802	1.2
145.05017	1.5
146.04565	1.3
147.08127	1.1
153.06679	1.7
155.11914	3.1
160.00717	4.0
171.07799	1.2
177.03447	1.3
179.04633	2.1
186.07704	1.7
199.10922	4.8
210.08847	4.2
220.59685	1.0
225.11304	19.3
226.11632	1.1
241.15601	13.5
254.07756	5.4
262.35333	1.0
272.08859	5.1
273.12787	4.7
287.15207	1.0
288.06662	1.8
290.13062	1.6
305.06995	60.9
305.12439	2.8
305.15546	27.5
306.07452	9.7
320.18021	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15214	1.0
58.02970	1.7
59.01376	47.6
61.41531	1.0
61.98828	9.6
62.40072	1.0
63.96215	1.7
67.01881	4.1
71.01381	7.8
72.00913	2.6
73.02938	1.8
74.02487	3.6
76.97030	1.1
78.60322	1.0
79.95742	3.7
81.03462	1.5
83.05026	2.2
85.02947	3.0
86.02467	1.4
87.05633	1.2
89.02427	2.8
90.00123	1.0
96.96011	100.0
97.06582	2.1
99.04519	1.5
99.05650	2.7
100.66552	1.3
101.02440	3.4
109.06563	2.0
111.00881	32.8
112.01144	1.2
114.05618	5.6
115.03984	1.1
119.03545	1.7
128.03500	5.5
129.06677	2.9
130.08740	54.1
135.08203	1.3
143.03494	16.8
143.04623	8.9
145.05116	1.8
146.04536	1.2
147.08170	2.1
155.11871	9.3
156.06630	1.6
160.00758	1.3
165.09216	1.2
171.07663	2.0
179.04637	1.5
183.15063	2.4
186.07750	4.3
199.10910	12.3
210.08836	2.6
215.78952	1.2
225.11322	22.6
225.13522	1.3
226.11720	1.5
241.15570	32.1
242.16008	3.3
254.07838	2.6
272.08862	2.6
273.12772	15.0
290.13068	4.4
305.07007	74.2
305.15402	57.6
306.07385	9.3
306.15710	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	305.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33993	0.5
59.01380	39.0
69.45572	3.4
71.01383	0.6
79.95755	1.5
87.80824	0.5
96.96011	100.0
97.06573	1.3
99.41026	0.5
100.31116	0.5
135.08195	1.0
143.04646	0.5
147.08148	1.6
163.11205	0.5
165.09181	0.5
181.12149	0.5
209.94588	0.4
225.11317	25.0
226.11674	1.1
260.19818	0.5
305.06998	73.9
306.07242	5.4
307.63120	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.07
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26432	0.4
59.01379	39.7
61.80875	0.4
69.59024	2.8
69.59367	0.6
79.95726	2.1
96.23327	0.4
96.96011	100.0
97.06608	1.0
101.02479	0.5
135.08212	1.0
147.08128	1.9
165.09215	0.6
225.11307	21.7
226.11652	1.3
294.53955	0.4
305.07001	65.5
306.07306	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	304.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	57.2
59.45811	26.9
60.00208	26.2
61.98831	100.0
69.91985	30.2
71.02928	69.0
71.27614	27.6
81.68067	24.9
82.21449	26.8
87.84824	28.0
91.50129	26.6
96.82159	26.4
100.31363	29.3
105.88714	29.3
109.06602	49.3
116.17374	34.8
135.39861	29.8
301.74969	30.0
305.17612	56.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77938	0.2
57.18158	0.3
58.02974	43.2
59.03325	0.7
70.02995	0.3
70.81432	0.6
70.81757	0.4
81.54465	0.3
134.54066	0.3
168.13931	100.0
169.14284	5.5
171.30464	0.3
187.49034	0.3
212.12845	3.0
304.19281	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.9914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41199	0.4
57.26202	0.4
59.01371	1.7
64.48580	0.3
65.24725	0.3
71.01381	15.9
71.52723	0.6
72.99308	7.5
72.99693	0.5
74.63445	0.4
78.95908	2.9
87.00880	3.8
89.02444	4.1
90.36832	0.3
92.92796	0.6
94.92515	2.1
101.02438	0.6
112.98580	0.8
115.00374	48.3
115.23537	0.3
116.00719	1.1
120.95477	1.3
125.47586	0.4
128.03540	0.4
129.00471	0.8
132.94833	0.4
133.01431	100.0
134.01747	2.6
136.96848	0.4
136.98575	3.3
138.92540	0.4
149.04547	0.8
150.96555	0.6
152.08492	0.3
152.95959	0.6
154.98434	0.8
154.99562	3.3
156.91331	0.4
162.96526	0.8
172.99388	1.7
179.05632	0.9
190.36481	0.3
192.91644	1.1
192.97614	1.0
200.89552	0.6
202.95064	0.9
228.93217	2.2
228.97572	1.3
230.91144	1.1
230.92621	1.8
244.96072	0.5
246.92680	0.8
262.48639	0.4
269.08701	0.4
290.91611	2.4
304.93216	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	304.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29568	1.8
56.86936	1.6
58.02978	12.2
59.01378	36.5
60.03474	1.6
61.98823	3.6
70.02981	40.7
71.01387	30.3
71.30957	3.4
72.00906	2.9
72.99295	2.3
73.02948	7.1
73.04063	3.2
73.81155	1.9
74.02474	7.5
75.00853	2.0
78.95905	1.9
82.03005	1.9
83.01385	2.8
85.02956	10.1
87.00890	2.8
87.05652	2.4
87.92522	4.2
88.04025	3.8
89.02440	8.5
95.01373	2.1
96.00916	70.3
96.96024	39.5
97.04083	4.5
99.00887	5.0
99.05645	48.6
101.02444	16.6
103.92034	5.4
111.00883	4.9
113.02435	8.2
113.03576	14.6
114.01972	100.0
114.05589	3.8
115.00375	3.1
115.05171	1.8
119.03505	4.6
123.05648	2.0
125.02456	3.9
128.03543	7.5
130.08754	4.9
131.04617	35.2
132.02991	2.5
141.06709	28.8
142.08755	2.0
143.03516	2.2
143.04597	2.9
143.11920	6.9
147.06001	14.0
155.11807	1.9
159.02956	2.0
161.04604	7.6
161.96201	2.2
171.05850	2.2
175.01845	2.5
178.84619	1.7
189.07033	99.9
190.05484	3.2
193.81873	1.7
199.94109	2.6
200.14034	4.6
218.09581	2.0
218.60019	1.9
225.11348	11.0
227.03561	1.9
244.12999	3.6
255.02931	2.9
260.10452	5.6
274.13992	6.6
283.02979	1.9
286.08649	10.6
286.19446	1.9
303.22379	4.3
304.06628	3.9
304.09735	71.2
304.13437	3.8
304.14801	4.3
304.19711	3.7
304.22778	3.6
305.06918	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	303.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58871	1.5
56.06037	1.4
59.01377	36.6
71.01388	3.7
71.01918	2.6
71.02258	2.2
73.02939	1.6
74.99084	3.4
76.65058	1.4
79.39915	1.4
83.01391	1.5
84.04542	1.8
85.02953	2.0
89.02389	2.4
96.04562	2.4
96.96032	4.4
97.46828	1.5
107.03772	3.9
108.04563	20.4
120.80957	1.8
121.05343	4.2
122.06124	72.8
123.06443	2.9
124.06757	3.0
124.07678	55.2
126.05602	7.0
130.08711	5.7
133.06932	31.9
134.06122	2.7
135.44914	1.5
136.07677	100.0
136.99098	3.5
137.08040	3.4
139.07614	1.8
148.07697	1.7
167.05826	6.5
168.06656	97.2
169.07016	3.7
173.07050	1.9
180.06647	8.9
185.11832	3.6
188.10779	2.6
215.08205	1.8
216.13892	10.9
217.13806	3.4
226.11102	1.7
230.10492	4.4
231.11330	3.0
241.13530	2.2
243.11343	6.9
259.14465	11.2
261.15311	1.7
285.12415	4.0
303.09821	3.4
303.13504	67.4
303.19394	6.3
303.22437	10.3
304.12186	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	303.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48480	2.4
58.99589	2.6
59.01362	5.7
61.98827	70.2
70.43841	7.4
71.01386	20.8
72.28439	2.0
72.99300	8.9
73.02953	15.8
73.98339	3.0
74.02458	9.3
74.99084	7.2
75.00859	3.8
78.95907	4.4
85.02947	61.5
87.00878	39.7
87.05630	4.9
88.04048	3.5
94.04208	2.3
98.20567	2.7
99.00856	12.5
99.05616	5.1
101.00665	4.5
101.02384	3.2
102.98604	16.6
103.04024	5.2
103.92014	5.4
103.98389	4.9
104.03526	5.4
104.92818	3.0
110.03565	7.1
110.05148	2.5
111.00881	34.6
112.98780	5.5
114.01965	2.6
115.00398	15.4
117.00166	3.6
117.01948	18.0
119.97835	6.5
120.99660	11.9
124.98804	5.4
128.03484	7.2
129.01935	100.0
132.92892	2.5
133.01445	28.7
135.02945	2.9
141.10347	2.7
142.99861	72.1
143.02023	2.7
146.48219	2.8
147.02994	28.9
156.99979	2.7
157.99487	3.8
158.95235	21.1
161.96198	2.9
169.09836	4.8
170.01247	6.2
173.00911	13.6
173.98953	3.2
175.02444	7.2
175.96944	14.4
175.99129	4.7
176.00514	62.2
177.00668	4.9
182.97827	2.5
200.14003	3.6
201.98434	89.9
202.98586	5.4
210.03835	4.6
212.14038	4.0
213.06468	2.9
217.97868	9.4
242.99867	4.7
244.12950	7.7
251.03848	11.8
270.96860	11.7
274.14133	9.5
277.01703	11.6
285.12793	9.5
302.22028	22.1
302.99567	14.4
303.05313	3.0
303.13589	4.7
303.19421	6.1
303.22458	5.5
304.15140	6.9
305.49298	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	302.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01713	0.9
61.96908	0.4
65.00333	1.3
65.83752	0.4
66.61262	0.4
69.74033	2.3
73.10084	0.4
83.01404	0.6
98.20625	0.8
105.52158	0.4
107.01419	1.2
108.01736	0.9
109.02920	0.7
110.03330	0.5
121.02969	1.6
122.03294	1.1
123.08256	0.5
128.10847	1.5
137.06114	1.5
142.12401	1.3
151.00363	4.8
152.00706	3.8
152.52940	0.5
178.99806	1.1
180.00259	1.3
240.19664	0.9
242.21246	7.7
242.23552	0.6
246.04892	0.7
256.03369	1.3
258.13318	0.8
284.02939	0.5
284.22375	0.9
302.03879	12.5
302.23395	57.9
303.04239	1.6
303.20004	0.8
303.23755	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	3.8
59.01375	2.4
61.82399	0.5
61.98833	0.6
62.69196	0.4
71.01376	0.6
71.05016	5.9
71.54569	0.9
73.02961	1.7
77.02486	0.4
82.08183	0.5
83.05003	0.8
85.02962	0.9
85.06570	0.6
87.67422	0.5
89.66445	0.5
93.03462	0.5
95.02514	6.0
97.06581	1.2
99.08190	1.6
109.06591	1.2
113.09744	0.7
117.03466	1.0
119.05029	40.9
120.05405	1.8
122.03681	0.6
124.05185	3.6
125.09749	0.9
126.09251	0.9
127.11284	5.4
128.10814	12.6
128.11732	0.7
130.08740	0.5
137.09740	1.6
139.11298	2.9
141.09286	0.6
142.12379	5.6
145.02972	4.3
150.03085	4.3
155.10826	2.6
157.12372	1.8
162.05661	2.0
167.10704	1.0
171.10316	0.7
174.05592	1.4
198.18578	3.3
199.09767	2.5
207.10313	1.6
223.13336	0.6
224.28677	0.5
225.11426	0.5
238.21721	6.5
241.14586	0.8
243.07773	0.9
249.11569	0.5
254.21242	5.8
256.22806	8.0
257.23184	0.8
270.08853	11.1
271.09213	0.9
284.12668	0.6
284.22299	14.4
285.22873	0.8
300.21713	3.0
302.11554	9.3
302.23407	100.0
303.14557	5.6
303.23706	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	302.1723
Annotation	Leu-Thr-Ala
Peak:m/z	Relative Intensity
59.01371	2.5
61.98839	7.8
71.01384	4.9
71.52792	1.6
72.00891	1.2
73.02950	4.1
73.04072	4.3
74.02473	88.2
82.02978	4.3
82.06614	2.4
83.02503	1.3
84.04568	2.4
85.02972	1.7
85.04109	1.3
86.02480	1.6
87.00863	1.4
87.05103	2.4
87.05637	47.3
88.04040	38.0
88.04581	1.9
96.00921	2.1
97.04078	7.0
99.05648	3.1
100.00378	1.4
100.04043	3.1
101.07194	5.1
105.01958	1.5
109.01706	2.3
110.06040	1.2
111.00854	1.7
113.03545	1.9
115.00377	1.4
117.06725	2.3
118.05086	4.2
125.03538	2.7
126.09252	3.0
127.05120	5.7
128.03517	3.8
130.08713	1.9
139.08769	2.7
140.07130	2.1
141.10274	1.7
143.11903	17.1
145.06232	10.0
148.02797	1.5
152.07158	4.0
153.10335	10.4
155.11914	7.4
157.13461	8.4
166.08717	5.8
169.09818	9.0
169.13466	2.5
177.10280	1.7
179.11919	3.0
182.09346	4.2
183.11374	24.5
186.12396	3.9
187.10753	1.8
197.46501	1.5
200.10272	1.9
201.12413	8.5
205.09851	2.6
210.07780	1.9
210.12195	1.8
212.10312	1.5
213.12450	2.4
214.15601	33.3
215.16068	2.0
223.10864	1.8
240.13504	2.9
240.17125	2.3
258.14572	100.0
259.14880	6.6
267.09842	19.4
284.12476	17.0
302.14267	2.2
302.17068	56.0
302.22043	52.2
303.17053	3.3
303.19870	3.0
303.22626	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	301.2019
Annotation	Koninginin G
Peak:m/z	Relative Intensity
57.03452	3.3
59.01350	0.5
83.04997	0.6
87.47215	0.5
97.06565	1.0
99.08081	0.7
99.33388	0.5
113.09657	1.8
124.76067	0.5
125.09682	1.0
139.11205	1.0
152.22772	0.5
158.81108	0.6
183.72728	0.5
221.19098	38.6
222.19438	3.4
237.18472	0.9
239.20131	3.6
244.07028	0.5
257.21008	1.5
261.38144	0.5
265.18060	22.1
266.18225	2.1
283.19153	22.6
284.19318	1.5
301.20013	100.0
302.20377	9.9
320.10822	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2172
Annotation	Abietic acid
Peak:m/z	Relative Intensity
53.37819	0.3
78.03977	0.4
86.57310	0.3
98.19917	0.6
183.13957	0.4
190.54065	0.3
215.15924	0.3
217.07182	0.4
233.19125	0.3
272.28738	0.3
300.99963	1.8
301.21713	100.0
302.22037	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	302.1247
Annotation	pipemidic acid
Peak:m/z	Relative Intensity
55.01896	1.0
59.01381	7.6
61.98540	0.9
61.98833	11.1
63.89964	0.7
68.55455	0.8
69.03405	0.8
70.02983	1.0
71.01379	8.4
71.53062	0.9
72.99308	1.2
73.04060	1.1
73.87073	0.8
74.02464	2.6
77.50022	0.8
82.02994	2.2
84.04537	1.3
85.02940	2.4
87.00864	2.3
87.04518	1.1
87.05658	1.4
88.04025	4.4
96.04508	0.9
98.02489	5.6
99.00883	12.5
99.05639	3.0
100.04013	1.9
110.02488	1.0
111.00881	4.7
114.05617	1.0
114.98867	1.2
115.00330	1.2
116.07166	1.6
117.06728	2.2
123.04554	1.0
124.07635	0.9
126.05633	0.9
128.03543	100.0
129.01944	1.7
129.03876	1.9
129.10300	1.6
133.01460	1.8
138.56848	0.8
140.07146	2.6
141.00447	1.2
159.01505	3.7
160.01610	3.1
160.06154	50.8
161.01250	1.2
161.06494	1.9
164.18004	0.7
169.01697	0.9
169.09813	0.9
173.09250	1.8
177.44199	0.9
182.09320	3.3
182.97733	1.0
186.12491	6.4
187.10841	2.5
200.10445	2.2
201.02562	1.2
209.09227	1.0
212.10393	1.9
214.03200	0.8
239.02621	0.8
240.13481	2.1
242.01318	1.3
243.00035	1.4
252.08685	3.5
258.14499	1.9
267.09879	4.0
270.09796	11.8
277.01736	1.0
284.12552	13.4
302.02750	1.3
302.13037	6.6
302.22070	15.1
303.02448	1.3
303.19537	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	301.2021
Annotation	Koninginin G
Peak:m/z	Relative Intensity
50.33805	1.0
52.26985	0.9
57.03431	1.9
59.01367	4.6
69.03463	1.7
71.54031	1.6
83.05053	1.6
85.02972	1.0
95.05005	1.8
97.06595	9.4
99.08149	12.7
125.06052	3.4
127.11269	7.1
137.09737	2.9
139.11304	18.6
140.11644	1.1
143.07140	31.4
144.07423	1.3
155.10767	3.0
157.12314	1.9
158.30702	1.1
183.10246	20.3
184.10614	1.5
201.11316	10.8
202.11661	1.1
265.18069	1.6
283.19040	2.1
286.43930	1.3
291.30905	1.2
301.20465	100.0
302.20950	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	301.2022
Annotation	Koninginin G
Peak:m/z	Relative Intensity
58.00584	1.8
59.01366	1.9
61.15336	0.9
70.29771	3.4
73.02934	1.6
75.00880	1.0
83.05002	0.9
91.18806	0.8
94.32336	0.7
95.05024	2.9
97.06594	23.2
98.19981	1.1
99.08162	12.1
109.06600	6.3
111.08147	3.6
119.81963	0.9
125.06078	5.3
125.09715	1.4
127.07635	5.4
127.11320	3.9
129.09201	2.2
137.06088	12.8
138.02397	0.8
138.06398	1.2
139.11282	8.2
143.07143	46.8
144.07465	1.9
149.29787	1.0
155.07135	11.3
155.10770	2.7
156.07487	0.9
173.08188	25.2
245.78214	0.7
256.20984	0.9
265.18140	4.7
283.19208	3.9
301.20444	100.0
302.20920	6.7
317.11719	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60259	0.5
58.36643	0.5
59.01379	100.0
60.01722	0.6
66.08609	0.7
71.53351	0.6
73.02946	13.5
80.05070	2.1
81.13435	0.5
96.08200	0.7
97.06609	1.4
99.08154	0.7
101.02424	0.9
106.06612	4.4
108.04559	17.3
108.05262	1.1
109.04783	0.7
111.08234	0.5
121.05328	1.9
122.06149	1.6
123.00885	0.6
124.07682	8.2
136.07678	36.1
137.06039	0.8
137.08049	1.1
138.05598	0.5
143.07159	1.8
150.05586	2.5
167.10872	1.1
171.10403	0.5
173.08165	0.8
173.96521	0.5
183.13878	0.8
189.12857	1.5
207.13887	7.9
211.13391	0.7
214.12363	0.7
225.14938	8.0
227.12878	23.0
228.09000	1.1
228.13348	1.0
239.12125	1.2
242.10648	1.7
251.12946	2.1
257.12946	69.1
258.13345	6.7
269.13788	2.5
283.15494	14.9
283.18567	0.9
284.15988	1.3
301.00003	1.5
301.12097	5.9
301.16620	17.2
301.21820	80.5
302.12589	0.9
302.16870	1.4
302.22119	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	301.166
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12135	0.2
60.97510	0.9
63.98485	0.2
70.28170	0.8
74.99108	0.9
90.94142	0.3
95.45410	0.3
118.96229	1.4
127.30486	0.3
134.99396	7.1
135.99416	0.5
136.97296	1.6
141.07442	0.3
143.05330	2.4
156.04913	0.4
159.08455	1.8
161.06389	4.2
161.07652	0.4
187.04189	0.4
189.66998	0.3
201.04173	0.7
203.05696	4.2
205.03499	1.5
215.05653	1.1
216.70097	0.3
217.07195	90.8
218.07317	9.0
220.98988	0.3
283.11917	1.0
283.15082	0.3
285.13467	37.7
286.13596	5.0
286.16629	0.5
301.16589	100.0
301.21533	11.0
302.16776	12.6
302.22177	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.4
61.59610	0.2
63.02396	7.2
65.00323	12.9
65.03982	0.3
66.00640	0.2
66.35950	0.2
67.01891	0.4
71.01397	0.2
71.54437	0.3
74.02467	0.5
81.03463	0.2
83.01382	8.4
84.01733	0.2
86.02457	0.4
91.01907	1.2
93.03461	4.9
93.04021	0.3
95.01370	1.0
107.01387	21.7
108.02214	0.6
108.99324	0.3
109.01739	0.5
109.02953	9.6
109.03696	0.5
110.02498	0.3
111.00860	0.4
112.02799	0.3
115.01855	0.2
119.01428	1.0
121.02955	18.9
122.03306	0.5
122.06129	0.5
123.00892	0.5
124.01646	0.7
125.02464	0.7
130.08755	0.4
131.05019	0.2
133.02946	0.8
133.06633	0.2
133.65683	0.2
134.06148	0.3
135.00888	1.0
135.04506	0.3
136.07704	0.6
137.02460	0.6
137.06068	0.6
137.09315	0.2
138.65134	0.2
139.04030	2.4
143.05045	0.5
145.02924	0.4
145.06612	0.3
146.03702	0.5
147.00845	0.3
147.04541	0.6
148.01669	0.6
149.02448	3.3
151.00363	57.4
152.00679	1.8
153.01875	0.3
155.05005	0.4
157.06636	0.6
158.03593	0.2
159.04514	2.0
161.02460	1.8
161.06085	0.6
163.00360	5.5
163.04024	0.7
164.01157	1.5
165.01897	0.6
167.05067	0.5
169.01405	2.4
169.09778	0.3
171.04478	0.6
172.05188	0.3
173.02457	0.2
173.06064	0.9
174.03210	0.5
175.04002	1.2
177.05566	0.2
178.99857	21.7
180.00224	1.0
182.03632	0.4
182.08134	0.3
183.04492	1.7
185.02388	0.3
185.06070	0.8
185.21216	0.2
186.03154	0.3
187.03940	2.1
189.01932	0.2
189.05583	0.6
190.99829	1.0
192.00682	0.4
193.01401	1.1
195.04552	0.5
199.03979	1.1
200.04662	0.3
201.01924	0.2
201.05571	2.4
203.03468	0.9
205.05051	0.7
208.00044	0.3
209.11774	0.3
210.03279	0.4
211.03983	3.5
212.04642	0.6
213.01956	0.6
214.02628	0.7
214.12349	0.6
215.03436	0.7
216.03989	0.4
217.04994	0.3
225.11165	0.2
226.02713	0.3
227.03490	3.2
228.04198	0.6
229.05042	3.0
229.09941	0.4
230.02153	0.3
239.03452	1.0
240.04147	0.6
241.09766	0.6
242.10652	0.8
242.21271	0.4
243.02965	1.1
245.04507	4.7
255.02980	5.8
256.03522	1.1
257.04492	1.0
257.13150	4.4
258.13248	0.3
261.56546	0.3
266.02249	0.3
270.09164	0.4
271.02625	1.2
272.02930	0.6
273.04059	4.5
274.04227	0.3
283.02420	2.4
284.03223	0.7
299.02100	0.4
300.02527	0.3
301.03513	100.0
301.21695	14.6
302.03845	7.5
302.23434	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	300.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58692	0.4
59.01383	0.6
71.01398	0.5
71.04993	0.5
71.54797	0.5
72.00925	0.6
73.04070	17.3
74.02488	1.3
74.93324	0.4
78.97337	0.6
79.63529	0.5
80.05052	0.6
82.06639	1.1
83.02531	2.7
84.08190	0.6
86.44185	0.5
97.02953	0.5
97.06596	1.0
106.06627	0.5
109.02947	2.2
112.07756	0.6
114.05592	0.8
114.09270	0.6
117.59890	0.5
123.04528	0.8
125.10834	0.5
126.09193	0.7
129.10344	1.9
130.08742	100.0
131.09048	2.5
134.03763	1.0
134.04716	0.5
137.02425	0.7
138.05643	1.2
139.03995	0.5
139.08784	6.4
141.10342	5.9
143.11925	8.0
149.02432	1.4
149.06094	1.2
151.04001	0.9
152.07166	0.5
161.04735	0.8
168.06598	0.7
169.09828	20.2
170.02811	1.9
170.10228	1.1
171.03123	2.9
171.11493	0.5
172.02335	1.0
182.15465	1.9
186.12494	1.0
199.18158	36.6
200.18465	1.8
215.07130	1.6
231.12163	0.6
243.17104	1.4
256.20294	16.5
257.20560	0.9
271.02505	0.7
300.02493	0.8
300.19278	85.6
300.99963	0.7
301.07245	1.7
301.22037	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	300.193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96775	0.6
59.01389	1.4
64.21603	0.7
68.35235	0.7
69.22691	6.8
73.04072	17.3
74.02473	1.0
82.06627	1.6
83.02508	1.7
84.08237	0.8
88.04057	0.9
93.03481	0.9
103.62053	0.7
109.02972	1.6
112.07691	1.1
114.09257	0.8
123.04488	1.0
127.46428	0.7
129.10376	1.7
130.08742	100.0
131.09097	3.0
134.03751	1.4
135.04517	0.6
137.02406	0.9
138.05602	0.8
139.08792	7.8
141.10324	5.4
143.11913	7.6
143.66864	0.7
149.06068	0.9
150.03162	0.9
151.04034	0.7
168.06706	1.3
169.09825	18.6
170.02779	2.4
170.10168	1.1
171.03157	4.1
182.15446	1.7
186.12428	1.4
186.75789	0.8
199.18150	35.8
200.18430	2.2
215.07025	1.1
243.17110	1.7
248.69939	0.7
255.02899	0.8
256.20285	18.2
257.20602	1.4
263.67197	0.9
271.02426	0.9
300.02899	1.2
300.19260	86.5
300.99902	1.2
301.07083	1.6
301.22034	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1929
Annotation	Ala Val Leu
Peak:m/z	Relative Intensity
51.98883	0.6
57.03464	0.5
59.01381	1.9
61.98845	1.0
66.03482	0.9
69.63772	0.6
70.02994	0.8
70.07668	1.3
70.08064	1.4
71.56548	0.6
72.17714	0.5
72.38465	0.5
74.02488	0.9
77.20789	0.5
82.06621	1.2
83.05037	0.9
87.00842	0.6
87.05637	15.6
88.04048	1.3
93.03426	0.8
97.04087	1.9
98.20626	0.8
104.90459	0.5
115.08770	1.8
116.07181	12.4
129.10345	1.0
130.08742	100.0
131.09090	3.5
135.04593	0.6
138.05600	1.7
139.08771	6.2
141.10347	4.7
143.11894	3.8
149.06067	1.0
150.03188	0.6
152.07059	0.7
153.10321	0.8
155.11954	0.6
157.13431	2.7
161.40347	0.6
165.05534	1.2
168.14037	0.7
169.09819	12.0
183.11420	2.0
185.16588	17.7
186.12541	1.0
195.15002	0.8
214.15759	0.7
215.13992	0.8
219.54688	0.5
229.15480	0.9
245.13782	0.9
250.21048	0.6
256.20288	17.3
256.22876	1.2
257.20630	1.6
300.19266	87.7
301.12915	0.7
301.19031	2.3
301.22079	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	300.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00340	0.5
51.25770	0.2
59.01376	2.0
63.85559	0.2
68.01415	3.1
69.46526	1.5
71.01383	0.5
72.82653	0.2
73.02967	0.3
74.02501	0.2
85.02948	0.2
87.05630	0.4
94.06601	0.4
95.05070	0.5
96.04549	0.7
97.02975	0.2
98.02485	0.3
106.06645	0.3
110.06132	0.3
110.44930	0.2
116.07191	0.3
121.34116	0.2
122.02496	1.0
122.06123	0.5
123.03259	6.9
124.04024	0.4
124.07682	1.0
130.08730	2.1
136.04048	0.3
136.07674	0.5
137.04770	1.2
138.05609	100.0
139.05984	3.0
140.07222	0.3
152.03600	0.4
152.07146	2.0
166.08728	0.6
167.05847	1.9
168.06575	0.8
169.09845	0.2
171.07747	0.4
180.06657	6.0
185.16658	0.3
186.10443	0.2
210.07758	0.7
240.08783	0.4
256.20242	0.4
262.65686	0.2
288.02863	0.2
300.10876	13.8
300.18933	1.7
301.11346	0.9
301.21710	17.0
316.59628	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2591
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
51.67523	0.4
56.76775	0.3
59.01369	1.0
61.26777	0.3
68.80009	0.4
119.05028	2.2
138.05603	1.3
145.02959	0.5
148.33095	0.4
148.40948	0.4
183.79579	0.4
219.38058	0.4
220.67854	0.4
222.45369	0.4
253.25415	4.4
277.25922	0.5
281.24869	1.2
284.03482	0.7
297.24127	0.5
299.25906	100.0
300.26236	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	300.021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48392	1.2
59.01376	2.8
61.98831	100.0
62.94536	1.2
63.81858	1.1
67.45792	1.2
67.50312	1.1
69.83845	1.3
70.67587	4.0
71.01376	3.0
73.02946	6.0
73.04090	1.5
74.02493	3.0
78.95908	4.2
85.02948	1.4
88.04040	2.2
93.03436	2.8
94.03792	1.9
96.00877	1.5
99.00883	1.3
99.92596	1.5
106.40586	1.2
114.05587	11.9
120.01258	3.7
125.11358	1.5
128.03545	2.1
129.01929	1.5
130.08765	1.6
133.01369	1.4
137.02437	4.7
138.02802	2.8
138.05623	3.5
154.05103	1.6
155.08243	2.4
181.12265	1.8
185.09360	2.9
191.02055	1.5
209.11772	1.6
239.12790	1.5
240.51939	1.2
300.03625	3.5
300.12189	2.1
300.15549	2.7
300.19159	1.4
301.16635	37.0
301.21722	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	299.1862
Annotation	Achaetolide
Peak:m/z	Relative Intensity
58.00596	0.7
59.01378	2.4
60.99306	0.4
69.03455	4.8
71.02148	1.1
73.23183	0.5
74.76515	0.4
77.44331	0.4
79.47964	0.5
83.05053	1.4
85.32193	0.5
87.00884	0.6
95.05035	1.6
97.06590	11.5
97.07215	0.8
99.08159	5.8
101.79913	0.5
108.05820	0.7
109.06621	1.4
111.08150	2.1
119.08656	5.6
119.17072	0.5
123.08155	1.6
125.06080	5.7
125.09695	2.5
127.07626	1.3
135.08167	1.3
137.06100	4.6
137.09717	21.5
138.10008	1.0
143.07138	100.0
144.07436	2.3
155.07156	5.4
173.08183	17.9
174.08533	0.8
185.08128	3.1
190.06738	0.6
237.31860	0.5
263.16507	2.3
264.16727	0.5
281.17596	4.1
299.18619	25.9
300.18951	2.5
324.09314	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.8
57.03455	7.1
59.01368	1.4
69.03465	7.1
69.25775	6.9
83.04984	0.8
83.84708	0.8
85.02946	27.3
93.71389	0.7
95.05056	0.9
97.02945	2.0
97.06611	9.7
98.19918	1.2
99.08160	3.1
111.08141	1.1
119.08700	1.4
125.06074	5.7
130.08751	1.6
137.06085	1.1
137.09708	8.9
143.07138	50.4
144.07475	1.6
155.10802	8.0
167.10707	0.8
168.06630	0.8
173.08182	1.3
183.10255	4.6
201.11324	1.5
219.17487	1.0
223.13326	0.9
238.18085	0.8
241.48073	0.8
259.49350	0.9
263.16516	3.4
299.18628	100.0
300.18997	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	299.1863
Annotation	Achaetolide
Peak:m/z	Relative Intensity
50.44318	0.6
57.03449	3.1
59.01366	2.4
65.19519	0.5
69.03455	1.9
70.94060	1.0
70.94383	0.8
71.01391	1.1
83.05019	0.7
83.06229	0.5
84.02153	0.7
85.02950	8.6
95.05019	3.0
97.02912	0.7
97.06586	10.9
99.08146	3.6
106.04176	0.5
109.02841	0.6
109.06599	1.7
109.35538	0.5
110.03723	0.8
111.08157	0.7
119.08676	0.9
121.06586	0.8
123.53796	0.6
125.06071	1.3
127.07626	0.9
127.11264	1.8
135.08170	1.4
137.09708	3.8
139.07652	0.7
139.11279	4.3
143.07135	17.1
149.09711	3.4
149.65262	0.6
155.10788	5.3
157.08749	0.9
165.09193	1.8
167.10759	0.9
169.08708	0.6
171.10245	0.8
175.07596	0.7
181.08652	1.6
183.10251	21.2
184.10577	1.0
193.08710	2.7
201.11310	12.3
211.09795	1.3
219.17462	1.1
229.89395	0.6
263.16507	2.5
267.05493	0.7
281.17606	1.7
292.33319	0.5
299.18619	100.0
300.18997	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	299.0773
Annotation	p-hydroxybenzoyl glucose
Peak:m/z	Relative Intensity
57.02974	0.8
57.10751	0.8
58.00588	2.5
59.01380	67.5
61.98832	3.8
67.36613	0.9
71.01384	32.9
72.01718	1.2
72.99303	3.0
82.96524	0.8
83.01389	2.0
85.02972	7.8
87.00888	1.7
88.04048	3.3
89.02444	36.0
93.03455	30.0
95.01380	2.1
101.02438	16.7
107.05055	1.0
108.02172	1.2
113.02444	14.4
113.03167	1.4
114.05616	1.8
119.03502	12.2
119.11287	0.9
121.02966	2.1
131.03531	0.9
135.04514	1.4
136.01668	7.2
137.02446	100.0
138.02773	3.0
145.47131	1.0
149.02441	3.0
151.04025	6.0
158.31349	0.8
179.03502	36.2
180.03857	1.4
209.04556	5.8
239.05603	15.2
299.07709	61.8
300.08008	4.2
300.19296	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	297.2434
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
59.01381	1.9
69.21806	3.6
74.34212	0.4
85.18143	0.3
92.45670	0.3
96.54037	0.3
98.19932	0.8
101.02425	0.4
104.79984	0.4
105.97754	0.3
110.59567	0.3
122.54298	0.3
139.11232	0.5
141.12854	0.4
153.09186	0.5
155.10783	2.3
171.10277	3.4
183.01190	5.4
184.01767	0.6
208.90363	0.3
216.00929	0.4
237.07176	0.4
253.25284	1.1
269.24838	1.3
274.14612	0.4
279.23303	6.4
280.23486	0.6
291.45779	0.4
295.22742	0.5
297.04681	0.7
297.15298	11.1
297.24335	100.0
298.15533	1.4
298.24701	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	299.0773
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
50.82043	0.4
59.01377	1.7
65.03951	0.5
65.25861	0.3
69.49628	0.5
69.50027	1.7
71.01373	3.0
73.02943	0.9
73.49928	0.3
82.72087	0.3
85.02953	1.4
85.69122	0.3
89.02417	0.8
93.03461	67.5
94.03802	2.1
95.01402	0.6
98.89693	0.3
101.02453	1.3
104.01472	0.3
113.02430	0.9
114.05518	0.4
119.05002	0.7
127.20913	0.4
130.42671	0.4
131.85387	0.3
137.02446	100.0
138.02777	3.1
138.05588	0.8
173.96231	0.4
200.95558	0.4
229.30482	0.4
299.07767	0.5
299.15045	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2435
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
59.01389	0.5
67.72678	0.3
69.35048	0.8
69.35451	1.8
94.86065	0.3
143.82938	0.4
183.01195	5.8
184.01981	0.8
187.43503	0.3
194.34206	0.3
241.09019	0.4
251.23746	1.2
262.76846	0.3
279.18698	0.6
279.23282	0.8
295.22797	0.7
297.15338	11.8
297.24347	100.0
298.15540	1.3
298.24667	9.2
305.70978	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2433
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
51.79553	0.5
57.03434	0.5
59.01376	3.5
71.01382	0.6
73.02939	0.9
81.14422	0.4
82.19958	0.4
89.02392	0.5
98.19883	1.7
101.02482	0.5
103.76764	0.4
139.11261	1.0
149.00978	3.5
155.14397	1.3
179.05730	0.5
183.01193	10.8
183.13864	0.5
184.01778	0.9
197.02763	0.6
199.13428	0.7
216.00981	0.6
237.09714	0.4
251.23885	0.6
253.25371	1.5
264.98395	1.3
269.24814	4.3
270.24969	0.7
279.23337	1.9
297.04706	5.3
297.15289	20.1
297.24323	100.0
298.04764	1.1
298.15573	1.9
298.24686	9.7
299.02805	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1343
Annotation	Amoenin
Peak:m/z	Relative Intensity
57.03442	3.5
59.01379	12.1
61.42319	0.8
62.88499	0.8
66.42857	0.8
68.01414	2.3
71.01379	6.7
71.05005	4.2
71.52667	0.9
72.02153	0.9
73.02552	1.6
73.02946	25.8
81.03457	1.7
83.01386	2.2
83.04991	0.9
85.02939	3.3
87.04501	3.1
88.04042	1.3
89.02430	1.3
95.02494	1.8
95.05032	1.7
96.17704	0.8
99.04520	4.1
101.02437	1.6
101.06087	10.6
105.07121	1.4
109.06573	4.5
111.08131	0.9
113.02468	1.0
114.05622	1.1
114.27733	0.9
119.03503	1.0
121.06631	1.4
123.04516	1.3
123.08142	1.9
125.06058	2.4
129.01991	1.2
135.04466	1.3
136.45596	0.9
137.06062	2.4
139.07637	7.8
149.06023	1.4
149.09740	3.2
151.07669	2.7
151.11275	14.0
161.04543	1.2
161.09680	2.4
177.09258	1.4
179.10785	13.1
180.11057	1.1
181.12299	5.6
183.42975	0.8
187.67393	0.9
191.10789	3.1
199.11281	1.8
207.10190	1.8
209.11818	21.4
210.12112	1.3
217.12341	2.2
218.52264	0.9
220.39369	0.9
223.13416	3.6
235.13351	1.9
237.09804	1.8
251.12843	1.6
253.14433	27.5
254.14716	2.1
281.11420	1.3
284.00787	0.9
297.09174	4.9
297.13412	100.0
297.24374	2.9
298.09256	1.4
298.10239	1.4
298.13776	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	297.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
71.32150	19.1
81.63500	17.7
84.04541	27.7
88.66908	17.0
91.63614	19.4
98.20686	60.3
101.17487	15.7
128.03506	15.5
148.61687	15.9
209.11821	20.8
210.50471	17.0
257.02509	19.8
273.41550	19.1
279.09326	19.3
297.14539	83.1
297.24118	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	297.119
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
57.03448	0.9
58.00592	1.6
59.01377	100.0
60.01721	0.5
65.94698	0.4
70.09206	1.7
71.01379	22.3
72.01740	0.5
72.99320	1.2
73.02940	5.3
83.01388	2.7
85.02946	8.5
87.00900	1.4
89.02443	23.0
95.01396	1.5
98.19910	0.5
99.00901	1.4
101.02439	17.3
102.02772	0.5
103.04008	0.6
108.61727	0.4
113.02450	9.3
119.03503	9.6
129.11490	0.4
130.08765	0.9
131.03546	1.1
135.06633	10.2
141.00447	0.5
143.03517	1.8
149.04523	0.8
159.03040	1.4
161.04535	10.2
168.99934	0.8
179.05608	4.6
237.09773	15.0
238.10201	0.7
248.49805	0.4
254.82744	0.5
297.11884	13.8
298.12048	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0017
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50404	0.4
59.01356	1.9
63.72358	0.4
64.45666	0.4
66.49626	0.4
70.09932	2.2
71.01359	0.5
73.02917	0.5
76.12914	0.4
76.15462	0.4
85.02948	82.5
85.07478	0.4
86.03280	1.9
87.68057	0.4
90.32060	0.5
101.02480	0.5
129.01944	100.0
130.02277	1.4
143.02026	0.5
143.46619	0.4
150.40553	0.4
155.14549	0.5
157.75563	0.4
168.01534	1.2
184.97740	0.5
236.04152	1.1
252.96057	0.6
297.05789	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31007	1.7
57.73177	1.5
59.01378	100.0
61.98826	33.3
63.77269	1.6
68.99785	1.5
69.81396	1.6
71.01382	23.4
71.52682	1.9
72.99310	15.9
73.02927	8.8
75.00851	2.1
78.95882	4.1
83.01380	3.0
85.02937	18.4
87.00893	8.3
89.02443	17.9
99.00874	4.1
100.10267	1.6
101.00928	3.3
101.02451	18.0
104.03539	2.6
104.82022	1.8
105.01965	4.2
113.02442	8.3
114.05586	4.4
117.00441	16.1
117.01941	9.1
119.03487	7.4
126.98894	12.5
129.00458	8.5
129.01929	19.3
130.85666	2.0
131.00204	2.2
131.02002	7.1
133.01750	12.5
135.06642	6.3
139.00154	2.6
145.06210	4.2
148.00464	2.1
154.97343	1.6
154.98431	12.9
155.01952	2.2
156.98148	5.0
156.99898	20.3
158.00117	3.4
158.99625	29.1
159.01495	13.0
161.04504	11.2
168.01515	4.5
171.01514	3.4
172.99384	14.1
173.03050	13.3
176.09953	1.8
179.05602	5.2
181.93442	2.0
199.00990	26.1
200.01123	1.9
210.94965	10.0
211.96521	2.2
214.96477	3.7
215.00438	5.6
236.04047	3.3
237.09740	14.0
252.95959	24.5
253.96227	4.1
254.98004	6.1
269.89142	1.7
270.99200	19.5
271.99438	1.9
281.30325	1.7
296.96869	49.4
297.05704	3.6
297.08820	3.4
297.11725	9.8
297.24576	2.0
297.97128	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	295.2278
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
58.27382	0.6
59.01381	4.0
71.01379	1.2
72.99329	0.7
78.81380	0.6
96.95987	1.2
98.19866	1.8
98.95596	6.2
98.96391	1.1
104.41328	0.6
110.44991	0.6
118.94384	0.6
127.11322	1.2
141.12856	8.3
155.14429	3.6
171.10156	0.8
218.43758	0.6
225.23557	0.7
240.81631	0.6
249.22261	6.9
267.49866	0.7
277.21689	2.3
295.18036	3.7
295.22775	100.0
296.23111	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	297.0018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27409	0.7
59.01379	15.9
61.88585	0.6
63.74683	0.6
64.97597	0.6
67.30344	0.8
68.01398	0.9
69.33337	0.8
70.04356	2.7
71.01381	3.6
71.05035	1.2
73.02939	4.6
74.92529	0.7
78.95903	2.1
85.02952	90.2
86.03284	1.6
89.02456	1.7
90.97134	2.9
93.59985	0.7
95.02537	0.9
96.96977	1.1
98.20007	0.7
101.02457	2.6
101.06095	2.3
109.06617	1.2
111.00885	1.2
111.15687	0.6
113.02423	1.0
129.01944	100.0
130.02283	3.0
135.04532	1.1
135.06714	0.9
139.03505	0.7
139.07689	1.4
146.08250	1.3
151.11296	2.0
158.99750	12.4
161.04532	1.6
161.09850	1.1
179.10786	2.9
181.12302	1.3
184.97691	26.6
184.99393	1.5
204.99324	0.8
206.99704	3.4
209.11745	4.5
223.13264	1.2
225.00919	1.0
227.02348	6.8
234.99309	0.9
237.09824	3.8
238.07263	1.0
241.00400	2.1
253.00229	3.5
253.14389	5.5
261.14603	2.5
261.50555	0.8
278.98248	8.3
296.99228	6.9
297.08707	3.3
297.13437	21.2
297.24341	2.9
298.09268	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	295.2276
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
51.74154	0.5
57.03461	0.8
58.17907	0.5
59.01379	1.5
69.03426	0.7
71.01383	0.9
71.29363	0.8
71.29711	0.9
124.58009	0.5
125.09756	1.4
127.11202	0.7
141.03516	0.6
141.12871	0.6
157.94339	0.6
171.10262	33.6
172.10558	1.2
179.14279	0.8
195.13907	6.0
225.60596	0.6
226.91219	0.6
277.21707	44.9
278.22058	3.8
289.31461	0.6
295.22769	100.0
296.23090	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	295.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19367	0.6
53.86815	0.5
57.03437	1.2
58.17695	0.6
59.01368	2.3
64.85619	0.7
90.52759	0.6
98.19770	1.3
101.33922	0.6
111.44531	0.7
113.09696	2.6
133.82870	0.6
177.12729	0.8
179.14415	1.8
181.12248	0.8
183.13913	3.2
195.13889	27.9
196.14223	2.1
229.29889	0.9
277.21722	26.1
278.22073	1.4
295.22760	100.0
296.23090	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	295.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52753	0.9
55.20185	1.2
57.03458	1.4
59.01383	2.1
62.50920	1.0
65.39393	1.0
66.56368	1.0
94.92921	1.0
99.08134	1.9
113.39734	1.1
141.12846	2.3
141.80414	1.1
144.21887	1.2
151.11224	1.4
171.10266	61.1
172.10530	2.5
183.10277	3.3
185.05835	1.2
195.13864	2.0
225.49017	1.1
229.59198	1.5
277.21719	73.4
278.22058	6.0
295.22772	100.0
296.23135	7.7
316.92899	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	295.2277
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
51.11098	0.3
59.01369	0.9
64.72747	0.3
67.60950	0.3
69.15012	3.1
71.01369	0.4
99.58610	0.3
112.82127	0.3
113.54170	0.3
173.30013	0.3
193.30325	0.3
200.09050	0.3
203.76961	0.3
249.22147	0.7
265.21698	1.4
270.63361	0.3
277.21634	3.6
293.21240	0.6
295.22757	100.0
296.23093	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	295.2277
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03429	1.1
59.01378	1.8
71.29445	0.3
71.29821	0.5
83.04992	0.5
113.09737	2.5
120.56555	0.3
140.24908	0.3
170.05823	0.3
171.10239	1.1
177.12816	0.8
179.14381	1.1
181.12433	0.6
183.79758	0.3
195.13892	19.4
196.14246	1.3
250.04344	0.3
251.20085	0.4
277.18073	5.3
277.21695	19.9
278.18719	0.4
278.22018	1.8
295.19290	7.2
295.22742	100.0
296.19681	0.7
296.23096	9.9
300.66409	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.5
57.03444	1.1
59.01382	3.4
70.35152	1.8
71.01408	0.5
113.09727	3.5
122.13416	0.5
171.10266	2.0
179.14458	1.4
181.12341	0.7
195.13896	0.5
208.70212	0.5
240.11516	0.5
251.23665	0.5
256.34570	0.5
265.59100	0.5
277.21674	2.7
295.22772	100.0
296.23126	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	295.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14928	0.8
57.03438	1.0
58.00588	3.9
59.01381	93.5
60.01709	1.2
61.98831	1.2
68.45751	0.8
71.01385	49.5
71.07070	1.2
72.99308	2.9
73.02930	1.6
79.43381	0.7
83.01389	2.0
84.93015	0.8
85.02948	9.2
87.00871	2.7
89.02448	57.7
90.02741	1.1
95.01390	3.0
101.02447	25.3
113.02458	18.9
115.04015	1.1
118.29455	0.8
119.03505	28.5
131.03496	2.4
133.05049	1.4
143.03510	2.2
149.04565	1.9
161.04549	3.1
161.70639	0.8
179.05580	4.3
180.06769	1.0
191.08195	0.8
240.28210	0.8
295.10339	100.0
296.10715	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	295.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98072	0.9
55.01859	1.4
57.03435	1.4
58.00596	4.4
58.01566	0.9
59.01380	95.3
60.01720	1.1
61.98827	17.3
71.01383	50.5
71.53198	1.0
72.99310	5.1
73.02940	2.5
78.95906	4.3
83.01385	4.0
83.41411	0.9
84.74040	0.8
85.02950	14.0
86.23643	0.9
87.00886	3.9
89.02444	64.1
90.02718	1.0
94.95699	1.5
95.01387	2.3
97.02940	1.2
101.02447	34.3
102.02724	1.1
108.97250	1.1
112.65231	0.9
113.02448	18.9
115.04005	2.0
117.98920	0.9
119.03507	30.6
119.05155	1.0
120.95462	2.6
125.00117	1.6
126.98885	3.0
131.02013	2.0
131.03464	1.4
133.05057	4.0
134.04723	1.7
136.94002	3.8
138.94498	0.9
143.03523	2.3
145.99474	7.5
146.99628	1.0
149.04500	1.4
150.96416	1.2
152.93684	2.8
153.03210	1.8
156.99908	6.9
161.04535	5.9
164.96373	3.4
171.97371	3.1
179.05585	3.3
184.97852	1.5
226.99028	2.5
231.93736	1.7
233.61459	0.9
241.00616	1.9
252.98099	2.5
269.00009	4.7
270.00174	1.5
294.94507	0.9
294.97339	6.6
295.10336	100.0
295.13446	3.8
295.97815	1.5
296.10657	4.4
301.29453	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.4
59.01414	0.4
69.48689	0.5
70.17155	0.4
70.84610	1.2
97.06610	1.9
121.10086	0.4
123.08180	1.6
125.09731	4.9
141.12807	1.5
145.57533	0.4
149.09702	1.4
185.11810	10.3
186.12137	0.9
196.03769	0.5
197.11861	2.8
293.21219	100.0
294.21545	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	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84290	0.4
59.01381	1.0
71.01383	1.6
79.95754	0.9
96.96013	43.1
98.19815	0.8
99.08163	0.6
110.27200	0.4
125.09715	0.7
127.11275	1.7
135.49980	0.4
136.08945	1.2
139.10223	0.5
139.11293	10.7
153.09218	2.7
167.14351	0.5
169.08635	0.6
171.10269	56.3
172.10591	1.8
177.09148	0.7
190.91707	0.4
192.11563	1.2
193.15993	3.0
205.12431	0.5
219.24858	0.4
220.14662	3.4
221.15466	7.0
236.10556	4.8
237.10928	0.5
249.18651	1.0
265.21637	2.2
275.20181	1.6
293.17938	32.0
293.21243	100.0
294.18216	2.3
294.21585	9.6
309.94537	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17960	0.4
51.41308	0.5
57.03449	5.5
59.01371	2.7
70.12061	1.9
75.66979	0.5
76.06084	0.4
95.05016	0.6
97.06580	1.4
98.19953	0.5
104.64728	0.4
109.06585	0.6
109.66829	0.4
109.74284	0.4
112.10398	0.4
113.09727	20.0
114.10102	0.7
121.10236	3.7
125.09725	0.5
139.11279	1.4
149.09605	0.6
167.10806	2.3
171.10269	10.3
172.10574	0.6
177.12866	0.6
179.10750	2.0
183.10211	0.6
185.11899	2.4
185.13272	0.5
195.13911	3.6
195.63054	0.5
197.11798	0.6
221.15318	0.7
231.21225	0.8
235.16985	0.5
249.22240	1.9
275.20132	10.2
276.20483	1.6
293.21207	100.0
294.21530	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	293.2123
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
67.13112	0.3
71.22965	1.0
87.26923	0.4
126.99753	0.4
140.69565	0.4
151.11333	0.5
177.12865	4.2
178.13460	0.8
193.15959	0.7
221.15530	0.8
223.13480	0.8
236.10442	0.6
249.22214	3.0
275.20166	1.0
291.19482	0.4
293.21222	100.0
294.21527	8.7
296.18243	0.4
309.22665	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.61665	1.0
59.01366	2.7
69.22486	11.1
69.22823	2.3
100.06535	1.2
121.10235	54.4
122.10560	1.7
171.10263	87.8
172.10567	2.6
177.16467	1.7
183.13864	2.5
185.11836	4.8
211.13486	1.2
231.21196	6.0
275.20145	100.0
276.20410	8.7
293.21234	68.8
294.21692	6.2
308.81964	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04486	0.6
56.10439	0.6
59.01360	2.3
62.25928	0.6
62.58193	0.7
63.48354	0.6
65.61964	0.6
71.00912	1.6
71.01385	1.6
115.61993	0.8
152.17410	0.7
192.11627	1.0
193.16022	2.2
203.95143	0.7
209.15459	1.1
220.14742	1.2
221.15459	3.4
231.21278	1.8
236.10594	1.8
249.18541	2.0
263.20114	16.4
264.20651	1.1
265.21692	1.8
275.20142	39.0
276.20444	4.0
293.21207	100.0
294.21500	9.5
308.57397	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36290	0.6
54.21822	0.6
57.03446	0.9
59.01381	3.4
61.98826	1.0
69.03468	1.1
71.01390	2.0
81.82214	0.6
94.02938	0.6
96.96008	1.1
97.34805	0.7
113.09678	0.8
118.27818	0.7
123.08181	1.4
136.08945	2.6
139.11223	0.8
151.11269	2.3
153.12891	0.7
169.12384	2.8
169.15958	0.9
171.10226	1.0
177.12886	0.8
192.11528	3.1
193.15923	6.6
195.17526	1.3
197.11832	25.3
198.12184	1.9
205.12250	1.3
207.13887	0.7
220.14696	5.6
221.15431	11.8
222.18668	7.4
236.10507	8.6
249.18582	2.9
249.22214	1.0
250.21725	6.8
275.20172	16.5
276.20505	1.8
293.17792	5.4
293.21207	100.0
294.21313	12.8
314.58264	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
59.01395	0.7
61.13480	0.6
71.30777	0.8
71.31123	1.2
121.10216	2.0
171.10286	3.7
179.14429	1.2
195.13878	15.0
196.14514	2.4
205.12335	1.1
211.13428	1.1
212.67401	0.8
223.13414	11.4
224.13950	1.3
228.13699	1.4
256.13174	4.5
265.21890	0.7
275.20160	13.1
276.20444	2.4
293.21231	100.0
294.21567	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13350	0.6
54.22995	0.6
57.03427	0.7
59.01376	1.5
62.78191	0.7
69.57857	4.6
71.01379	1.5
96.96005	2.2
99.44032	0.7
104.75950	0.8
113.09718	1.5
116.15580	0.8
121.10187	1.2
125.09814	0.7
136.08873	0.8
139.11278	3.4
153.12816	1.3
167.14447	0.7
171.10281	1.1
178.45419	0.7
191.18004	2.5
192.11513	1.5
193.15973	3.4
220.14673	4.3
221.15446	9.2
236.10547	6.2
247.20604	2.0
249.22333	0.9
265.21753	1.3
266.22552	0.7
275.20078	3.3
293.21207	100.0
294.21497	8.2
300.55801	0.8
301.30359	0.7
313.05750	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.4
70.39297	0.5
70.39643	0.9
71.01012	0.5
71.01382	8.0
75.01487	0.3
80.08056	0.3
80.51276	0.3
96.01726	0.3
98.59541	0.3
101.27706	0.3
127.07643	0.7
148.05298	0.8
151.07648	0.4
164.08391	1.5
177.09196	6.0
190.09988	0.4
192.11549	6.6
193.12097	0.5
205.12311	7.1
206.12585	0.6
207.13911	1.0
217.08832	0.6
218.09404	1.7
220.14668	50.6
221.15445	100.0
222.15784	7.0
235.13373	0.9
236.10526	65.1
237.10921	4.8
293.17584	7.4
293.21164	2.6
294.17917	0.5
305.42755	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	51.2
59.01381	29.2
62.40899	5.7
69.44454	43.3
71.01378	29.1
73.02930	14.8
79.05549	9.6
82.28664	6.0
83.05022	20.9
87.00885	11.3
89.02453	12.0
93.03453	5.7
101.02440	19.1
107.05049	13.0
121.06581	14.6
121.91246	5.9
123.08148	6.2
128.03525	6.1
133.06551	8.9
137.09724	17.0
147.08163	79.1
161.04649	33.6
169.10204	7.7
177.02066	6.6
185.13382	11.6
187.11270	63.6
203.14345	28.4
205.03578	10.2
211.11430	5.8
213.12863	53.7
214.13350	6.0
221.15558	9.5
231.13910	100.0
249.06183	11.7
249.15001	7.3
254.57278	5.8
273.95514	6.7
281.03531	5.5
293.05170	68.8
293.07901	9.5
293.14005	22.6
293.21173	12.7
294.14246	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	293.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.5
58.00588	2.4
59.01377	48.4
64.64868	0.7
69.78633	4.2
71.01012	1.3
71.01382	21.9
72.99318	1.8
73.02921	1.6
73.55341	0.8
74.36996	0.7
76.22803	0.7
83.01382	1.4
85.02938	6.0
85.06588	18.0
87.00879	2.4
89.02445	24.1
95.01359	1.7
96.74748	0.7
101.02444	16.1
107.05017	1.7
113.02460	8.2
113.06106	6.5
115.07655	2.1
118.13637	0.8
119.03496	9.2
127.07652	2.0
127.10464	0.7
130.08749	5.2
131.07137	73.0
132.07498	1.3
141.10339	0.9
143.03566	1.6
150.57938	0.8
161.04518	1.8
173.08145	2.6
179.05664	1.1
208.75545	0.9
293.12390	100.0
293.15051	7.1
294.12891	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	292.1919
Annotation	Nordihydrocapsaicin
Peak:m/z	Relative Intensity
50.32418	0.5
50.37467	0.5
51.46008	0.6
51.86626	0.5
51.90290	0.5
57.03442	1.2
58.02967	0.8
58.55885	0.7
59.01373	3.0
70.58498	1.8
71.01362	1.6
71.05009	1.1
80.13480	0.5
90.11559	0.5
97.06576	0.6
103.52036	0.5
108.04501	0.7
109.06519	0.5
111.08226	0.6
113.09738	1.4
125.09734	2.6
149.09676	1.5
152.70927	0.5
156.13934	100.0
157.14287	3.9
185.11815	4.3
197.11823	1.0
200.12860	3.9
205.12350	0.9
220.14755	4.3
221.15442	10.5
222.10156	0.6
230.20074	0.6
234.15872	0.9
236.10519	7.1
248.20975	0.7
274.18936	1.6
275.20056	1.1
292.19995	17.1
293.21207	66.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.2
61.98819	0.5
66.00525	0.4
69.70910	0.5
71.01376	0.7
96.95983	0.5
121.10260	0.6
122.70667	0.4
144.24359	0.5
156.13934	100.0
157.14290	4.7
171.10312	1.2
192.11537	0.7
200.12889	4.9
200.14592	0.6
220.14705	4.3
221.15442	7.8
236.10454	5.9
248.20920	0.5
275.20184	1.8
292.19968	15.1
292.23279	0.9
293.17529	1.1
293.21115	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	292.1304
Annotation	Phe-Ala-Gly
Peak:m/z	Relative Intensity
58.02965	1.2
59.01111	1.8
59.01381	23.0
61.98845	1.3
68.25682	1.3
69.78741	6.0
69.83865	1.0
70.02964	1.6
71.01377	13.8
72.00903	5.8
72.99288	1.4
73.04070	24.2
74.02464	1.2
82.02979	1.7
83.02530	1.4
84.04539	4.6
85.02946	5.5
85.06579	5.2
87.05637	26.5
88.04030	1.7
89.02447	16.4
91.05544	6.4
95.01374	1.5
97.04043	1.4
98.02469	21.2
99.05632	4.2
101.02457	10.7
101.07200	1.3
107.05010	4.5
109.04075	1.6
110.02459	1.5
113.02469	6.5
113.06081	3.5
118.06587	2.2
119.03497	6.4
119.05026	7.9
120.04581	1.9
120.05351	2.8
120.99683	1.4
126.06736	12.3
127.05132	13.0
128.03535	22.3
129.06738	1.1
130.08746	5.0
131.07146	13.3
134.06120	2.6
144.07787	100.0
145.08167	1.3
147.04526	26.8
163.03979	3.8
164.04326	3.2
164.07161	72.2
165.07487	2.7
174.09222	1.7
177.99677	1.3
180.06599	1.6
191.11903	18.2
200.07085	3.4
204.10278	3.2
218.08205	2.7
231.11342	1.5
235.10910	2.2
248.03819	1.5
248.09581	2.2
248.14027	7.6
257.09262	2.1
262.07141	6.2
275.10382	5.8
292.08194	3.4
292.13037	92.4
293.12485	33.2
293.15155	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	292.0078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22413	0.4
59.01379	1.5
61.98830	9.9
70.64450	0.7
71.01374	1.1
81.21144	0.4
85.02952	9.6
86.98110	0.4
87.00885	2.0
92.95982	1.1
93.03458	3.3
99.00875	0.5
100.09984	0.4
103.49335	0.4
109.02958	0.8
111.00893	0.7
111.04517	1.3
119.97936	0.6
127.04011	2.5
132.79390	0.4
137.94109	0.4
147.33473	0.4
148.94983	3.2
171.02998	0.9
173.04536	1.1
175.96875	1.3
185.17415	0.4
190.96054	2.3
191.05606	100.0
192.05945	4.1
202.22284	0.4
213.00002	4.2
217.97939	1.4
230.02646	1.2
231.01186	0.9
243.76530	0.4
292.00754	2.1
293.02151	0.9
312.58066	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.4
58.00595	8.2
59.01377	1.5
61.45473	0.8
63.18373	0.8
69.03440	1.2
69.48721	3.5
69.49144	3.0
69.84170	1.0
71.01374	3.6
73.02946	30.2
83.05013	3.0
84.02166	6.8
85.02933	3.2
95.05033	2.3
97.06598	5.0
101.06099	1.0
107.05015	1.2
109.06583	1.9
111.08123	3.7
113.06089	1.8
118.14995	1.0
120.47643	0.8
121.02983	1.4
121.10252	1.1
125.06051	3.8
127.07655	1.4
127.11259	1.5
137.09659	1.0
139.07614	5.6
139.11278	1.6
149.09732	1.0
155.14357	1.7
155.52698	0.9
163.14938	1.1
167.14368	1.3
185.11780	1.4
189.97096	1.0
193.03882	0.9
193.61374	1.0
221.19099	1.0
247.16983	1.0
247.20566	0.9
255.21135	4.7
261.22159	4.0
263.23819	10.9
264.24170	1.2
271.20493	1.1
273.22189	25.3
289.21652	1.5
291.19675	15.8
291.23245	100.0
292.20398	1.6
292.23578	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	291.1967
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
59.31995	0.5
68.17425	0.5
69.03500	0.5
70.77139	1.5
71.01377	0.7
125.06020	0.6
125.09739	0.9
127.11291	2.3
137.09715	5.4
152.20053	0.6
153.09155	1.0
158.73753	0.5
165.12784	0.6
171.10274	100.0
172.10651	4.4
193.14026	0.6
247.20543	0.7
261.18640	0.8
263.20087	2.2
273.18726	1.1
291.19669	19.6
292.20090	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	291.2331
Annotation	Androstan-3alpha,17beta-diol
Peak:m/z	Relative Intensity
57.03440	2.4
58.00595	8.2
59.01377	1.5
61.45473	0.8
63.18373	0.8
69.03440	1.2
69.48721	3.5
69.49144	3.0
69.84170	1.0
71.01374	3.6
73.02946	30.2
83.05013	3.0
84.02166	6.8
85.02933	3.2
95.05033	2.3
97.06598	5.0
101.06099	1.0
107.05015	1.2
109.06583	1.9
111.08123	3.7
113.06089	1.8
118.14995	1.0
120.47643	0.8
121.02983	1.4
121.10252	1.1
125.06051	3.8
127.07655	1.4
127.11259	1.5
137.09659	1.0
139.07614	5.6
139.11278	1.6
149.09732	1.0
155.14357	1.7
155.52698	0.9
163.14938	1.1
167.14368	1.3
185.11780	1.4
189.97096	1.0
193.03882	0.9
193.61374	1.0
221.19099	1.0
247.16983	1.0
247.20566	0.9
255.21135	4.7
261.22159	4.0
263.23819	10.9
264.24170	1.2
271.20493	1.1
273.22189	25.3
289.21652	1.5
291.19675	15.8
291.23245	100.0
292.20398	1.6
292.23578	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	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.9
57.20191	0.7
69.40664	4.0
69.41067	1.3
71.50059	0.7
73.37778	0.6
77.10444	0.5
93.07112	1.4
97.06575	2.6
110.49955	0.6
121.10233	16.3
122.10531	0.9
123.08199	0.9
125.09741	7.0
141.12894	1.6
147.08217	0.6
185.11829	16.8
186.12131	0.9
197.11864	3.4
209.11789	1.0
211.13405	1.2
223.13379	1.0
247.20619	0.8
273.18619	1.2
291.19656	100.0
292.20013	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	291.1966
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
55.31061	0.3
59.01381	0.7
73.02943	50.2
74.03281	1.3
84.02142	0.3
93.03453	0.3
98.53722	0.3
105.62545	0.3
141.82806	0.3
154.31789	0.3
165.12854	0.4
203.84866	0.4
247.02629	0.4
291.19647	100.0
292.19983	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	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.03440	0.6
59.01378	3.5
59.91489	0.5
62.35717	0.5
66.08414	0.6
69.03462	0.6
71.05022	36.7
71.52979	0.5
83.05027	1.0
92.24623	0.5
97.06592	11.0
111.08206	0.6
120.32005	0.5
123.08191	0.9
127.82961	0.5
133.06609	0.9
153.66060	0.6
163.14949	0.8
165.12885	0.9
175.14912	0.8
181.12338	1.9
195.13937	1.1
207.13902	3.4
219.13873	4.5
231.12190	1.7
235.17024	4.6
235.53271	0.6
247.20685	3.5
273.18658	1.9
291.14304	2.4
291.19656	100.0
292.20035	9.1
294.16714	0.6
301.52097	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
50.52477	0.5
57.03450	1.3
59.01369	0.8
69.03465	0.6
70.95985	1.0
75.21247	0.4
83.04987	0.6
86.35868	0.4
93.07103	0.5
95.04993	0.5
97.06577	1.5
111.08144	2.7
119.05003	0.6
120.65130	0.4
121.10229	11.1
122.10584	0.5
123.08134	1.3
125.09731	5.3
127.07610	0.4
128.84161	0.4
139.11252	0.6
141.12894	1.1
147.08203	0.9
165.12848	0.7
167.10860	0.5
177.12805	0.6
179.10760	0.8
185.11827	11.8
186.12154	0.5
195.13910	1.0
197.11830	3.3
209.11780	1.1
211.13422	1.2
223.13431	0.7
229.78185	0.4
247.20598	1.7
263.20078	0.7
273.18555	2.6
274.18805	0.5
291.19647	100.0
292.20001	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	291.1967
Annotation	12-OPDA
Peak:m/z	Relative Intensity
56.18211	0.3
59.01375	1.2
69.18499	3.0
73.02930	0.7
75.22929	0.2
80.02646	0.3
82.55106	0.3
84.80925	0.3
94.90626	0.2
95.05009	0.5
97.06590	0.5
98.19834	0.6
116.38554	0.3
119.05048	0.4
125.06065	0.6
148.08925	1.6
150.10483	1.1
151.11295	0.7
163.11295	0.9
165.12846	22.2
166.13181	1.4
175.11325	0.6
176.11905	0.7
177.12767	0.6
179.14377	0.3
190.48195	0.3
191.14447	0.9
234.35747	0.3
245.19121	0.4
247.20656	11.1
248.20993	0.8
251.58708	0.4
263.20129	0.3
273.15884	0.6
273.18622	6.4
274.19031	0.6
291.19656	100.0
292.20023	8.8
309.11636	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52113	0.3
59.01376	0.7
70.13615	1.1
71.68668	0.3
83.04975	0.4
85.71241	0.3
98.20570	0.4
109.06591	0.8
119.05034	0.7
139.07678	0.8
141.09238	0.3
148.08961	1.7
151.11275	1.8
153.12827	1.1
165.12883	1.0
175.11261	0.9
177.12801	1.5
179.14400	0.5
193.15974	0.7
203.14363	1.7
221.11833	0.5
223.13313	0.4
237.15005	0.7
247.20657	5.9
248.20959	0.5
273.18573	1.4
291.19653	100.0
292.20010	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	289.1809
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.97769	0.3
59.01389	2.2
61.98839	0.5
70.36953	1.1
70.37312	0.3
71.01366	0.4
80.02676	1.1
81.03453	0.6
83.05028	0.8
89.02454	0.4
93.03465	0.3
95.05024	0.9
98.19954	0.4
101.02444	0.4
101.50867	0.3
101.92366	0.3
106.04256	1.9
107.05035	1.0
109.06592	10.7
111.08157	2.3
117.07111	0.4
117.95984	0.3
120.05820	0.5
121.03001	0.5
121.06580	0.5
123.08144	2.7
131.05089	0.4
132.36563	0.3
135.08134	0.8
137.09671	1.0
141.09183	0.4
143.10805	1.7
145.06573	3.6
149.09663	1.6
151.11252	1.3
159.08176	0.4
163.11302	0.6
167.10764	2.4
179.10733	1.1
181.12308	1.3
191.14449	0.4
215.14426	0.4
243.58060	0.4
245.19087	7.0
246.19467	0.4
261.18356	0.4
271.16818	2.0
273.15024	1.1
287.16559	3.0
289.18076	100.0
290.18433	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	291.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51550	0.3
57.70386	0.3
58.97266	0.3
59.01384	1.4
70.34904	0.7
71.01376	1.5
73.02968	0.3
73.04047	0.7
85.02949	2.0
87.00878	0.3
87.05582	0.3
89.02428	0.3
93.03455	0.5
96.60606	0.3
99.00879	0.3
101.02447	1.0
113.02456	0.5
117.03452	1.7
119.05024	100.0
120.05371	4.0
120.99650	0.4
121.02905	0.7
132.99438	0.3
144.04187	0.4
145.02945	6.0
159.08484	2.0
161.04623	0.4
163.04005	87.7
164.04340	4.0
230.09557	0.3
241.51865	0.3
248.10289	0.5
273.07770	0.8
291.08789	11.4
292.09039	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1086
Annotation	Itoside L
Peak:m/z	Relative Intensity
55.01870	5.9
55.45476	1.6
57.03447	3.5
58.00587	4.8
59.01379	100.0
67.05522	2.9
70.56610	1.7
70.56951	3.2
71.01379	81.8
72.99295	5.2
73.02940	16.9
73.04048	1.9
74.75888	1.5
83.01380	11.9
84.04539	2.9
85.02950	30.6
87.00873	4.5
89.02442	61.2
95.01386	5.2
99.00871	6.0
100.43436	1.7
101.02438	67.9
111.04519	4.2
113.02449	37.2
113.03249	1.8
119.03494	21.9
119.05009	4.3
127.05127	2.7
129.05592	2.1
131.03455	2.1
143.03503	3.9
149.04544	1.7
159.02985	4.1
161.04555	16.8
163.03952	3.7
163.05171	1.9
179.05627	3.1
247.11884	15.6
291.10846	29.2
292.13184	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	291.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	7.1
57.03433	3.0
57.06458	1.4
58.00598	3.0
59.01379	100.0
67.05512	4.5
69.78781	7.4
71.01382	72.5
72.99308	2.5
73.02945	15.1
73.04076	1.9
79.07471	1.3
83.01379	9.1
85.02942	28.0
87.00876	4.4
89.02444	56.7
95.01398	4.1
99.00883	6.1
101.02441	58.1
111.00909	1.7
111.04508	2.0
113.02444	28.1
119.03512	25.9
119.04955	2.8
125.02407	1.3
127.05154	2.4
129.01871	1.6
129.05548	1.7
131.03558	1.7
143.03436	2.1
159.02959	3.7
161.04567	14.0
163.03979	2.7
164.07137	2.8
179.05641	2.3
247.11829	16.9
275.65942	1.6
291.10867	24.2
292.13071	7.2
295.98413	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	289.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
57.03441	2.5
58.00590	1.4
59.01382	26.1
69.03456	1.6
69.37524	5.1
71.01386	7.8
71.05015	6.4
72.99273	0.7
73.02947	7.7
81.03452	2.1
83.01349	0.6
83.05026	7.5
85.02956	1.5
85.06588	7.2
87.04514	2.1
91.04029	0.6
95.05040	4.1
97.02945	2.0
97.06584	6.9
99.00885	13.9
99.04512	1.4
99.08164	1.8
101.06086	6.1
107.04998	0.7
109.02959	1.5
109.06598	3.4
111.04530	1.1
111.08149	1.9
113.06098	3.0
113.09731	1.8
115.04023	12.3
115.06859	0.9
115.07623	4.4
119.04988	1.3
120.05355	0.9
121.06593	0.6
123.04522	2.1
123.08156	2.7
124.05292	1.2
125.02433	2.1
125.06087	7.3
125.09747	1.6
127.07633	2.2
127.11292	0.7
129.05586	1.7
129.09215	1.6
135.08165	2.9
137.02380	1.0
137.09679	0.7
139.07674	1.0
141.06754	0.6
141.09145	1.3
143.07138	1.0
143.10735	1.9
145.05037	3.8
145.08710	19.7
151.04086	0.6
153.09218	11.0
155.10759	1.9
159.10265	2.8
161.13364	1.8
162.05551	1.4
163.05956	0.9
163.11208	1.1
171.10304	4.8
179.07123	1.7
193.12350	2.1
197.08192	8.4
197.11852	0.9
198.93672	0.7
209.15500	1.8
211.13429	1.3
212.09155	0.6
215.09235	11.4
245.08170	1.5
245.17474	0.7
253.14569	1.0
266.66565	0.6
271.15475	6.7
289.07617	4.2
289.13040	7.9
289.16547	100.0
290.16931	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	289.0827
Annotation	N-Malonyltryptophan
Peak:m/z	Relative Intensity
50.13087	4.4
58.02969	25.5
58.92398	4.8
59.01369	24.9
70.02980	17.9
71.01374	6.8
72.00846	5.2
72.04548	5.3
74.02468	83.9
85.02959	5.5
96.96004	13.8
98.02480	24.1
110.51862	5.2
115.04016	10.0
116.03541	27.0
116.05058	36.4
125.09745	6.1
129.45602	4.5
142.06610	7.0
147.03235	4.1
159.09300	10.4
159.83162	4.3
181.70979	4.3
203.08250	91.6
227.12871	14.5
229.14340	6.6
245.09312	100.0
246.09552	9.0
289.07620	22.2
289.10583	3.7
289.16498	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	289.1657
Annotation	oscr#14
Peak:m/z	Relative Intensity
55.31145	0.6
56.70178	0.6
57.03433	2.7
57.79605	0.7
58.00590	1.8
59.01379	22.0
69.03442	2.0
69.76375	3.7
71.01376	15.7
71.05023	5.4
73.02943	13.5
73.03351	1.0
81.03455	1.3
83.05027	5.9
84.15038	0.7
85.02937	2.1
85.06586	1.7
87.04491	0.9
89.02455	1.6
95.05034	2.2
95.89133	0.7
97.02953	4.9
97.06573	2.5
98.20538	1.2
99.00880	2.6
99.04503	2.2
101.02448	1.7
101.06101	4.5
108.68307	0.6
109.06563	0.9
111.04519	1.9
111.08117	0.8
113.02515	0.7
113.06068	3.0
113.09721	3.1
115.04009	23.4
119.04992	1.1
120.99641	1.6
123.08162	1.6
125.06114	1.0
125.09743	1.8
127.03992	1.1
127.07696	0.9
129.05574	4.5
130.08694	5.2
135.08136	0.8
141.09276	1.3
143.10788	2.6
145.05060	15.6
145.08710	2.7
153.09180	2.3
155.10771	2.1
161.13335	2.4
171.10234	2.1
191.05626	1.1
191.14526	0.7
197.08109	2.2
197.11716	0.9
207.84604	0.7
209.15477	0.9
215.09184	2.5
215.12840	0.9
227.08345	0.9
228.08894	0.9
251.37981	0.7
253.14403	1.1
271.10837	2.9
271.15469	6.6
272.15714	0.9
289.16531	100.0
290.16882	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	289.0719
Annotation	(-)-Epicatechin
Peak:m/z	Relative Intensity
50.15079	1.0
57.03452	6.3
59.01376	3.8
69.03457	1.4
69.96257	4.0
69.96669	2.0
71.01409	1.2
81.03457	6.1
83.01391	5.1
85.21725	0.9
93.03464	3.3
95.01386	1.6
95.05036	7.8
97.02955	15.2
98.20707	1.2
99.04527	1.3
105.03453	1.2
108.02152	1.7
109.02953	51.9
110.03287	1.8
115.04015	3.2
115.62582	1.0
121.02982	7.8
122.03724	3.6
123.03622	2.1
123.04532	36.8
125.02454	30.9
135.04530	3.0
137.02437	17.4
138.03293	1.2
139.03998	5.3
139.88382	1.1
145.02950	2.5
146.03764	3.1
149.02437	8.2
150.03181	2.6
151.04027	15.9
152.04358	1.2
158.37578	0.9
159.04504	3.8
160.05267	3.5
161.02502	1.6
161.06087	9.6
162.03256	1.7
163.03951	2.9
164.01125	5.0
165.01880	5.9
166.02640	1.9
167.03513	3.9
175.03978	3.7
175.07646	3.5
179.03484	10.3
185.06152	1.4
187.04012	9.7
188.04771	6.9
201.05429	1.9
202.06316	2.8
203.07166	19.0
205.05037	15.1
212.04865	1.3
221.08183	8.4
227.07123	3.5
245.08157	38.4
246.08434	2.2
247.06068	1.9
252.74251	1.0
271.06018	2.7
289.07178	100.0
289.16382	12.0
290.07541	5.8
294.40408	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	289.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04695	1.0
57.03453	7.0
59.01383	6.8
59.39362	0.9
69.03471	2.0
71.01380	4.3
71.05016	1.1
78.32043	1.0
81.03460	6.3
83.01396	6.8
85.02946	1.3
89.02442	2.6
93.03463	4.2
95.01382	1.6
95.05035	9.1
97.02946	13.6
98.19837	1.6
99.00872	1.5
99.04524	1.4
101.02418	1.6
108.02164	1.0
109.02956	56.2
110.03304	1.1
111.88155	0.9
113.02454	1.2
115.03996	2.7
118.87611	0.9
119.05033	12.5
121.02936	6.0
122.03717	1.4
123.04528	39.3
125.02451	33.4
126.02831	1.2
127.07609	1.3
133.02936	1.0
135.04558	5.4
137.02440	19.2
138.03209	1.8
139.04036	7.4
145.02962	3.7
146.03723	3.3
147.04494	2.2
149.02434	6.9
150.03242	2.6
151.04016	17.3
152.04349	1.2
153.09219	1.1
157.06543	1.3
159.04514	6.1
160.05272	3.1
161.02457	1.9
161.06088	8.4
162.03200	3.4
163.04018	2.1
164.01126	5.5
165.01897	7.5
166.02649	1.8
167.03485	4.2
173.06096	1.5
174.03268	1.4
175.04016	4.4
175.07626	4.8
177.05577	1.9
179.03482	11.2
183.10335	1.1
185.06052	2.9
187.03999	8.9
188.04848	7.0
191.05676	1.3
199.07625	2.1
201.05615	1.2
202.06345	3.0
203.03595	1.1
203.07166	21.7
205.05066	17.5
207.66551	1.0
215.12740	1.1
217.08714	1.1
221.08174	7.9
227.07129	3.5
230.05829	1.2
233.12938	2.2
245.08173	36.1
246.08394	2.6
247.06204	1.7
271.06241	1.9
289.07187	100.0
289.16360	12.8
290.07349	6.1
291.08005	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	1.2
61.98828	5.8
69.64329	3.8
69.64740	2.5
71.01376	12.9
72.99303	30.5
74.99364	3.4
76.96494	1.6
78.95907	14.6
85.02947	2.1
87.00868	4.3
89.02437	1.9
92.92794	1.5
92.95999	4.3
94.92548	1.5
95.11727	1.0
101.00943	1.3
105.01941	1.3
108.90137	1.0
114.98888	22.1
115.00360	40.8
115.98920	1.2
117.00447	2.6
126.98861	12.9
127.99023	1.6
128.98650	4.3
129.00433	1.5
133.01425	100.0
134.01755	3.2
134.97118	1.3
136.98558	1.7
141.00380	1.0
148.94958	21.9
149.95097	1.4
154.98378	0.9
154.99556	1.7
156.99873	1.6
161.98886	1.7
168.99985	1.0
172.99390	33.2
173.99548	1.9
184.99414	1.6
186.97336	50.4
187.97290	3.7
190.96022	19.5
191.05632	13.3
191.07220	1.5
191.96201	1.6
202.91823	6.3
212.95538	1.3
213.00105	2.7
214.95250	1.5
215.00455	22.4
216.00568	2.5
228.91475	1.6
228.98366	34.2
229.98486	2.4
246.92570	1.6
288.91864	3.0
289.01065	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	289.0053
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.8
71.01382	12.7
71.08716	0.9
72.99308	29.6
74.99383	5.1
78.95909	6.5
86.99382	0.8
87.00890	1.0
89.02438	2.5
92.95992	2.3
96.96983	0.8
100.00761	0.8
101.00948	2.2
102.98886	1.9
104.96756	0.8
114.98892	44.0
115.00370	40.2
115.98951	2.1
117.00418	1.7
120.95471	1.0
122.47765	0.9
126.98869	4.2
128.98676	0.9
130.98427	0.8
133.01440	86.9
148.94983	7.2
156.99924	2.2
162.58975	0.9
172.99425	23.8
173.00916	1.4
173.99559	1.8
184.97746	0.9
184.99416	2.9
186.97346	100.0
187.97441	6.2
190.96059	5.4
190.97749	0.7
191.05655	4.9
191.96153	0.8
202.91927	1.5
215.00482	14.1
216.00612	1.3
227.00562	0.9
228.98380	64.7
229.98460	3.7
231.88591	0.8
248.97112	0.8
270.99304	1.1
274.94403	1.0
288.94739	1.7
289.00702	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	288.1606
Annotation	Mesembrine
Peak:m/z	Relative Intensity
59.01372	0.7
60.10839	0.2
61.98820	0.3
65.03954	0.3
68.70599	0.2
74.12260	0.3
81.03467	1.3
92.05067	0.9
93.03452	1.8
99.92565	0.3
107.03785	0.5
108.02152	0.6
108.04556	5.9
109.02952	5.3
121.02990	0.4
124.01637	0.4
134.02480	43.1
135.03293	9.7
135.96175	0.2
136.04042	42.7
137.02432	2.3
137.04373	1.2
148.04036	1.2
148.78865	0.2
149.04826	1.2
158.70561	0.3
161.06070	0.3
173.04747	0.3
176.03523	5.9
177.04250	0.7
181.03822	0.6
190.05089	0.7
204.06647	0.5
244.09555	0.2
260.16479	0.4
279.92667	0.2
288.16046	100.0
289.16315	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	288.9968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.6
61.98826	3.5
70.12679	1.7
70.78238	0.4
71.01377	14.0
72.99307	7.3
73.02939	5.0
74.02433	0.4
74.99437	0.5
78.95892	2.2
85.02954	1.3
87.00876	1.8
88.04069	0.5
89.02456	2.1
96.96944	0.5
98.20059	0.5
99.00851	0.6
105.89662	0.5
110.33223	0.4
114.05595	2.2
114.98890	3.5
115.00368	40.0
117.01936	9.7
119.97890	1.0
126.98801	0.5
129.01912	0.5
133.01424	100.0
134.01746	2.2
140.52267	0.5
147.02991	0.8
148.94991	1.1
149.04500	0.5
156.99921	1.6
161.98944	0.6
172.97714	1.1
172.99393	2.8
186.97343	9.6
187.96878	0.5
190.96036	0.6
191.05617	3.7
203.98235	0.7
213.00029	0.8
215.00479	1.3
218.46855	0.4
228.96529	0.7
228.98401	5.8
229.98462	0.5
237.05202	0.5
289.06284	0.6
295.94055	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02958	2.0
59.01367	3.8
61.39447	0.8
61.98799	0.9
63.95045	0.8
66.78065	0.9
68.75833	0.9
71.17401	1.4
71.17764	1.6
72.00911	2.4
73.04070	50.8
73.40614	1.0
74.02473	87.7
75.02778	1.3
82.02972	1.4
82.06618	3.1
83.02525	6.9
84.00891	1.3
85.04091	1.8
86.58592	0.9
87.05627	1.6
88.04042	33.9
96.04548	3.6
97.04079	2.4
99.10527	0.9
111.01991	3.1
112.07654	1.6
118.05087	2.9
124.04023	2.3
125.10799	1.2
126.09277	5.7
129.10303	1.8
130.08737	7.6
139.08777	8.2
140.07164	2.3
141.10338	9.8
143.04619	1.5
143.11896	50.2
144.12234	1.3
152.07184	4.7
153.10309	2.6
157.13467	7.9
160.00729	1.7
168.02997	3.7
169.09827	30.3
169.13464	6.7
170.10176	1.7
181.09743	1.1
186.04034	1.1
186.89961	1.1
187.10855	10.8
199.10876	3.1
200.14053	28.9
201.12473	1.2
201.14346	1.2
214.15611	4.2
226.11966	2.0
226.15584	2.7
237.05121	2.2
244.13017	100.0
245.13316	5.7
258.14529	6.2
270.14697	1.0
288.15643	47.4
289.16101	1.9
308.10281	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2227
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
50.21395	0.2
65.39982	0.2
69.19278	2.0
83.94109	0.2
111.08124	0.4
113.09720	2.1
123.08150	0.2
125.09690	0.5
127.11309	2.6
141.09131	0.2
141.12825	0.8
143.10768	0.8
171.24651	0.2
211.20776	0.2
223.20757	0.4
239.20110	0.9
241.21730	1.6
269.21164	2.7
270.21426	0.2
285.20657	1.8
287.22266	100.0
288.22626	8.1
288.25031	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1501
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
50.82829	1.2
51.93145	1.4
54.96432	1.5
59.01382	100.0
62.54959	1.3
69.27454	13.6
77.67260	1.4
79.89640	1.4
99.04512	3.3
145.55864	1.6
149.83894	1.4
165.12991	1.4
207.13847	2.4
209.11829	6.8
225.14986	5.3
226.31442	1.7
227.12891	58.2
228.13208	4.2
269.13898	16.1
287.15009	88.3
288.15448	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	287.15
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
57.03439	3.9
57.10143	0.6
59.01377	100.0
62.80181	0.6
65.03958	8.2
67.01884	1.2
69.03457	8.0
71.01375	4.6
71.04992	0.9
73.02952	3.7
73.96756	0.6
78.95898	1.6
79.11935	0.6
81.03449	1.3
83.05020	6.4
84.02202	0.8
85.02948	39.7
86.03305	0.6
87.00879	2.5
91.86965	0.6
93.03451	6.2
95.05059	0.9
97.02901	0.9
99.04495	2.3
101.06110	1.2
102.81802	0.6
105.07136	0.9
107.05014	0.6
109.06548	0.9
111.04498	1.4
111.08140	0.7
113.06073	1.8
115.04013	1.4
119.08654	0.8
121.06560	1.0
123.08160	52.2
124.08501	1.8
125.09710	0.6
126.71084	0.7
127.04018	3.5
137.09669	2.9
141.09207	4.1
143.49364	0.6
145.05057	2.8
155.32291	0.5
155.91754	0.6
159.26598	0.7
160.65504	0.6
165.09122	0.8
165.12886	1.1
173.04539	4.1
189.12769	1.0
191.05678	0.7
207.13896	4.8
209.11798	4.6
222.36775	0.7
225.14963	5.1
227.12875	32.9
228.13194	2.2
233.11742	0.6
243.07838	1.1
251.12924	2.6
269.13937	15.9
270.14197	1.4
287.11371	3.5
287.14975	76.9
288.15314	3.9
298.82941	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1499
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
52.12683	0.4
57.03451	1.4
59.01378	100.0
60.01729	0.6
60.99305	0.7
62.21259	0.4
70.34920	0.5
70.35263	1.2
71.01410	0.7
73.06081	0.4
83.05039	0.6
85.02960	1.4
87.00893	1.5
93.03441	3.6
97.06610	1.0
99.04510	3.4
109.06615	0.7
165.12816	2.3
166.39922	0.4
167.10811	0.7
173.04535	1.4
191.05609	15.2
207.13905	3.7
209.11816	7.4
225.14909	6.8
227.12878	59.5
228.13145	2.7
251.12938	2.1
257.11362	0.5
269.13940	19.3
269.16879	1.0
270.14328	1.1
287.14984	80.7
288.15286	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	287.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	4.0
58.00603	1.6
59.01377	44.9
59.85913	1.0
69.03458	21.6
69.54899	7.9
71.01381	11.7
71.05025	2.4
72.00940	1.9
72.99275	1.1
73.02943	10.5
74.02480	4.8
81.03452	3.4
83.01389	5.7
83.05029	6.3
85.02994	1.6
86.02460	1.5
88.04054	1.4
93.03457	2.7
95.05027	11.2
97.02946	3.1
97.06598	3.8
98.20615	2.4
99.04535	1.7
101.02461	1.8
105.07071	1.9
108.02116	2.0
109.02958	7.2
109.06596	3.7
111.08143	1.5
113.06091	10.9
115.04013	100.0
116.04347	2.6
116.07185	3.9
119.05018	2.3
121.02954	4.5
122.09614	1.3
123.00863	1.4
123.08165	5.1
124.01674	2.6
125.02454	19.4
127.04045	1.4
130.08734	3.9
133.02998	1.6
134.03755	3.0
135.04118	3.0
135.08183	2.1
137.02429	12.0
139.07722	1.2
139.08836	1.3
143.11865	1.6
145.05061	32.8
146.05440	1.2
147.04503	2.6
148.05284	1.3
149.02484	5.1
149.06215	2.7
150.03267	2.7
150.06410	2.5
151.00404	1.2
151.04022	3.6
151.07701	2.9
153.09192	8.2
157.05069	7.6
159.04518	5.1
161.02451	5.0
164.01167	2.9
165.01959	3.7
169.08748	3.4
172.05237	2.0
172.09802	1.8
173.06111	5.2
175.04063	9.6
175.05458	1.5
177.01851	1.8
177.05605	3.3
177.12848	3.1
182.08330	2.2
186.16992	2.2
189.12965	1.9
197.06253	1.2
199.03990	1.4
199.10869	1.9
201.05533	9.7
203.03372	3.0
207.14017	2.4
213.05721	2.1
215.07207	1.7
217.05042	2.1
219.06616	2.8
221.11783	1.6
225.05510	2.1
227.03535	1.3
232.21140	1.4
233.11748	1.8
241.05176	1.7
243.06593	2.4
243.09897	4.0
245.04539	1.5
251.12808	2.2
259.06107	15.6
269.04596	1.9
269.13882	10.8
287.05603	18.0
287.12146	2.3
287.15048	45.6
287.18216	6.3
288.15359	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	287.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82867	1.4
57.03443	10.9
58.02971	2.0
59.01377	21.7
60.99285	1.6
69.03452	4.8
71.01381	6.2
71.05014	7.0
71.54134	2.0
73.02934	4.6
74.02482	9.5
79.48887	1.3
80.02676	1.4
81.03413	1.6
83.05042	4.4
83.73453	1.3
85.02952	6.2
86.02481	5.2
87.00857	2.1
87.04504	6.9
91.03989	3.6
95.05034	10.5
97.02935	2.4
97.06591	19.7
99.00841	1.5
99.04493	2.2
101.06094	2.1
104.03548	4.3
109.06573	3.6
112.02786	4.0
115.04021	2.0
119.04977	3.2
119.08654	7.7
121.06631	1.8
123.08167	22.5
125.02429	5.6
125.09707	4.5
129.22487	1.3
130.08742	2.8
133.06563	3.3
135.04530	1.4
138.09221	3.6
141.10358	1.4
143.11864	2.3
151.07648	26.0
153.10388	2.1
156.10226	2.9
162.05609	3.8
169.08691	100.0
170.09004	5.6
177.05521	1.7
181.13445	2.5
182.08208	12.3
195.06625	5.2
199.72783	1.5
200.09250	3.0
213.07666	11.9
213.12425	4.9
225.12463	5.1
243.11578	2.3
244.15543	3.4
257.11392	17.8
259.06094	3.4
269.13727	1.9
287.05856	3.2
287.11481	35.9
287.15005	31.4
287.17630	2.9
288.11703	2.2
288.15298	2.0
288.18228	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	287.0926
Annotation	2,3-Dimethoxy-4,6,7-trihydroxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
55.82836	0.2
59.01356	0.2
69.68362	0.2
111.78310	0.2
141.12904	0.3
143.08675	0.3
161.02402	0.8
171.04504	0.2
172.05336	0.4
173.06131	0.6
175.03967	0.8
181.06467	0.2
185.06093	1.1
186.06841	0.5
187.03925	0.5
189.05534	1.3
197.06036	1.7
198.06789	1.3
199.03996	0.5
199.07651	4.1
200.08371	1.3
203.03526	0.4
203.07100	1.8
212.04745	1.0
213.05530	0.7
215.03488	1.0
217.05092	0.2
227.03583	2.7
227.07121	3.7
228.07878	1.0
229.05045	1.0
230.05852	0.7
231.06592	0.6
232.07329	0.7
237.05475	0.6
240.04282	8.5
241.05016	6.0
242.05414	0.4
243.02895	0.7
243.06543	0.8
255.06609	16.5
256.06982	1.5
257.04578	1.1
257.08200	1.7
258.05319	3.4
259.05838	0.3
259.09747	0.7
262.04773	0.7
272.03305	0.7
272.06873	0.7
287.09250	100.0
287.22223	11.1
288.09579	8.5
288.22604	0.7
304.05936	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0561
Annotation	naringenin dibenzoylmethane tautomer
Peak:m/z	Relative Intensity
57.03447	18.7
58.00615	0.9
59.01374	5.7
63.02412	2.3
65.00325	7.9
65.03964	0.8
69.03481	0.7
69.35793	4.0
71.01389	1.2
71.05037	1.0
73.02963	1.2
74.02476	1.6
81.03442	4.8
83.01382	11.1
83.05037	1.2
85.02975	2.5
86.02466	0.6
93.03464	3.4
95.01392	0.7
95.05046	0.8
97.02972	0.7
97.06602	1.1
98.20714	1.0
104.03583	0.8
105.03445	0.7
107.01379	7.2
107.05008	1.6
107.46931	0.6
109.02949	2.8
109.06574	0.7
111.00885	1.5
111.04567	0.8
115.04029	0.8
117.03426	0.9
119.05017	1.8
121.02930	1.2
123.00839	1.4
123.04507	2.8
123.08080	0.6
124.01688	3.6
125.02442	100.0
126.02786	3.0
129.26114	0.6
130.04257	1.1
130.08757	1.6
131.05011	1.5
133.02968	3.5
134.03777	1.2
135.04486	1.6
137.02403	1.2
145.02922	1.4
145.06567	0.6
149.06042	1.5
151.00351	12.0
151.07675	0.8
152.01137	8.7
153.01929	2.4
153.16086	0.5
156.05785	1.3
157.06552	2.6
159.04477	1.8
162.05621	0.8
165.01939	0.9
169.08702	2.4
171.04498	0.6
172.05290	2.1
173.06058	7.2
175.04062	0.7
177.05550	15.0
178.99866	7.7
181.13498	0.9
182.08139	1.6
197.06030	1.3
199.04048	0.7
199.07646	3.0
200.04671	0.7
201.05553	9.7
203.03467	0.9
213.05714	0.8
214.06349	0.8
215.04553	3.1
215.07036	6.6
216.07503	0.7
219.06549	1.8
223.33354	0.6
225.05455	1.0
241.04976	1.7
243.06561	13.6
244.06873	1.5
257.11301	2.2
259.06082	74.2
260.06415	4.5
269.04398	2.2
287.05557	40.2
287.12109	1.6
287.14941	8.6
287.17731	1.1
288.05829	2.6
288.15234	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2389
Annotation	Prosopinine
Peak:m/z	Relative Intensity
53.22149	0.4
55.14536	0.3
59.01366	0.5
66.46507	0.3
69.23936	3.3
70.02969	1.1
74.06110	2.2
98.20502	1.4
102.28606	0.3
118.05135	0.7
175.63440	0.3
240.23315	3.4
242.21162	1.9
242.24942	0.6
268.22784	0.9
286.23868	100.0
287.24237	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	287.0558
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
57.03451	14.5
59.01379	17.8
63.02414	4.5
65.00331	9.3
71.54627	0.6
71.68082	0.5
81.03464	2.5
83.01387	12.9
93.03444	2.7
93.43304	0.5
95.01366	0.7
99.92615	0.5
103.07253	0.6
107.01403	7.7
107.05022	0.8
108.02178	0.7
109.02944	2.7
111.00846	1.1
117.03476	1.1
121.02939	0.8
123.04548	1.5
124.01646	3.3
125.02448	100.0
126.02800	3.5
130.04358	0.5
131.05029	2.3
133.02930	3.0
134.03760	0.6
135.04491	2.3
137.02425	0.7
143.04947	0.7
145.02934	1.0
145.06593	0.9
149.06059	1.0
151.00381	12.7
152.01170	9.8
153.01985	3.3
156.05817	1.4
157.06593	1.3
159.04520	1.4
165.01950	1.3
169.01405	0.7
171.07973	0.7
172.05289	2.2
173.06058	6.2
175.04002	0.8
176.01138	0.7
177.05556	16.1
178.99873	8.0
185.64079	0.6
197.06003	0.9
199.07710	2.9
200.04677	0.7
201.05560	9.9
203.03563	1.2
209.11798	0.9
213.05507	1.2
215.07097	6.1
219.06621	1.9
225.05550	1.3
225.14925	1.5
227.12903	9.4
231.30257	0.6
241.05034	2.1
243.06604	15.7
244.06990	0.8
253.91576	0.6
259.06094	72.7
260.06473	5.3
269.04498	3.7
269.13928	2.2
287.05603	49.1
287.14954	15.6
288.05969	3.1
288.15363	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.2
58.02968	0.8
59.01390	4.2
66.03477	1.1
69.03427	0.7
71.01376	1.8
71.05012	1.2
73.02944	1.9
73.04071	12.8
74.02471	1.8
74.03319	0.7
81.03416	0.8
82.06622	1.6
83.01397	1.0
83.02528	2.0
83.05017	1.0
84.08199	0.6
84.57331	0.5
85.02950	1.3
87.00890	0.9
90.73719	0.6
97.06576	1.1
107.04960	0.7
109.06554	0.9
112.02784	0.7
112.07716	0.6
115.04004	1.6
115.08740	3.7
116.07180	32.4
119.05032	0.8
123.04530	4.1
123.08186	1.4
124.01711	0.7
125.02457	7.2
125.06229	1.0
125.07168	4.7
127.08788	3.2
129.10350	4.2
130.08742	53.1
134.03732	3.8
136.05199	0.6
137.02612	0.6
138.09149	0.6
139.08763	1.4
141.10339	2.5
143.11905	16.7
145.05124	1.2
149.06059	3.5
151.00397	0.8
155.08275	12.0
168.13889	0.9
169.08661	1.5
169.09827	7.6
172.10960	0.7
173.06113	0.6
177.05626	1.0
185.16591	28.6
186.17023	0.9
201.05602	0.9
214.53513	0.5
229.15564	1.4
242.14232	0.9
242.18750	21.3
243.06660	1.1
243.09657	1.0
243.19063	1.6
257.11325	1.0
259.06152	4.9
286.17706	100.0
287.05646	3.8
287.12146	0.8
287.14978	5.3
287.18085	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	286.2387
Annotation	Prosopinine
Peak:m/z	Relative Intensity
50.44266	0.2
56.55497	0.2
58.54280	0.2
59.01364	0.3
63.37246	0.2
69.49778	1.8
71.87923	0.2
75.72414	0.2
97.06582	0.3
128.10786	1.3
139.11238	0.4
141.12842	1.5
171.10204	0.5
185.11700	0.3
201.15981	0.2
211.13405	0.4
240.23325	1.5
266.21252	0.7
268.22858	1.6
284.22278	1.0
286.23859	100.0
287.19107	1.2
287.24176	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	285.2071
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
55.23908	0.5
57.03437	1.2
59.01372	1.4
68.59830	0.6
73.02944	0.6
78.95884	0.7
81.03455	0.7
95.04999	0.7
98.20774	0.9
123.04536	2.0
143.95999	0.5
223.20659	64.9
224.21004	5.0
241.21719	1.3
267.19644	36.6
268.20010	2.4
285.04071	2.4
285.20749	100.0
286.21103	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	286.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
70.98798	0.6
70.99123	0.8
74.02479	1.2
76.18381	0.5
88.04067	0.5
90.00273	0.5
93.04604	0.8
110.07257	5.4
119.04967	0.6
120.99629	0.6
130.08714	0.5
133.02950	0.6
134.03741	100.0
135.04025	3.6
136.05161	18.7
148.05276	1.5
149.06075	83.9
150.06433	3.8
150.07492	0.6
162.73170	0.5
175.04025	0.6
176.03526	1.8
178.05048	0.8
190.05046	2.7
243.09796	0.9
259.06055	0.8
268.57648	0.5
270.08740	1.5
286.09015	0.7
286.11969	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92023	0.9
53.42099	1.0
57.03461	5.6
58.00599	1.5
59.01376	1.6
60.30149	1.0
69.81047	1.1
83.05040	1.3
85.06573	2.5
88.94423	1.0
92.09055	1.1
95.05057	1.2
97.06602	13.0
101.06087	99.6
102.06433	2.8
113.06098	1.8
115.07678	8.4
123.04523	2.0
123.08176	8.4
125.09731	100.0
126.10075	3.9
127.11288	4.1
137.09744	1.2
139.11240	1.2
155.10762	2.9
165.09229	2.2
169.08714	4.0
171.10216	5.3
187.09766	11.5
199.09755	2.0
201.11333	65.7
202.11678	4.3
223.17044	5.7
227.16489	3.0
239.16467	1.2
249.14861	2.3
257.17587	13.2
267.15982	17.2
268.16537	1.5
285.17072	11.4
285.26846	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	285.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86060	0.8
57.03447	5.7
58.83255	0.9
59.01376	2.6
83.05000	1.8
85.06581	1.4
95.05009	1.4
97.06588	12.3
98.19926	2.3
101.06082	100.0
102.06407	2.8
113.06072	1.7
115.07654	9.2
118.16629	1.0
123.04533	2.2
123.08178	7.3
125.09726	91.4
126.10071	4.0
127.11267	3.7
155.10777	2.4
165.09178	2.1
169.08742	4.0
171.10272	6.1
173.92772	1.0
180.87637	1.0
183.10237	1.4
187.09752	12.6
201.11317	70.1
202.11658	2.9
210.06172	1.2
210.93645	1.0
223.17079	7.9
227.16527	2.4
229.04091	1.2
249.14795	1.7
257.17581	11.1
267.16025	18.0
268.16379	1.9
285.17087	11.9
285.20322	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	285.2072
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
54.74510	0.3
54.88419	0.3
57.03443	1.3
59.01368	0.8
70.81876	1.0
71.05028	0.7
78.95909	1.0
83.05019	0.4
84.69464	0.4
93.69651	0.3
97.06579	1.2
99.08174	0.6
123.04527	1.4
139.11273	1.6
141.12836	0.9
155.14400	2.5
167.14600	0.4
192.35349	0.4
211.20665	0.7
219.57315	0.4
221.19144	0.9
239.20122	1.2
241.21767	0.7
252.80354	0.4
265.18210	0.4
267.19614	1.3
285.04349	0.7
285.20703	100.0
286.21060	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	285.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59786	0.3
56.30343	0.3
58.00584	1.1
59.01377	1.8
65.02492	0.3
69.03455	1.6
69.23816	0.3
71.01379	1.3
71.51759	0.4
73.02947	11.0
81.03481	0.5
83.05033	2.4
88.19891	0.3
97.06578	0.4
99.04491	0.4
123.04533	0.7
123.47189	0.3
125.06145	0.3
128.03510	0.5
130.08740	0.9
162.05656	0.3
165.12842	0.7
166.33089	0.3
177.12775	0.3
193.12338	0.6
195.13866	2.6
197.11784	0.6
203.14351	0.8
207.13875	0.9
213.15244	0.3
214.44833	0.3
221.15382	0.5
223.13332	1.5
225.14941	5.1
226.15247	0.3
237.14891	1.0
239.16518	2.5
257.15048	1.0
267.15744	0.5
285.17065	100.0
286.17392	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	285.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	0.9
60.58812	0.3
69.03454	1.0
69.97803	1.3
71.01395	0.7
73.02947	12.2
83.05029	1.0
101.95266	0.3
130.08765	0.5
154.94437	0.3
165.12894	0.6
169.64131	0.3
177.12842	0.4
193.12334	0.9
195.13911	2.9
196.14255	0.4
203.14395	1.2
207.13914	0.7
209.15541	0.5
221.15376	0.5
223.13351	1.3
225.14948	5.1
237.14928	0.7
239.16544	2.6
255.25287	0.4
267.15906	0.4
283.15546	0.4
285.17062	100.0
286.17422	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	285.0436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79234	1.1
69.90839	5.9
71.01379	10.5
72.99310	3.9
78.95909	1.7
85.02942	24.7
92.17673	1.1
92.94358	1.2
96.36285	1.3
97.28750	1.2
106.55189	1.4
109.01481	1.3
113.02461	7.2
114.99566	1.8
115.00373	33.9
117.01927	1.4
119.05023	54.4
120.05334	2.0
120.99653	100.0
125.00935	1.6
127.02493	4.8
129.01941	19.3
129.04106	1.7
133.01428	80.4
143.02005	16.3
144.02266	1.7
153.04047	1.7
155.01976	1.6
163.04031	6.1
168.99927	12.7
172.99374	5.4
185.03049	4.8
197.03078	1.6
199.00957	31.4
200.01108	3.4
211.00987	4.6
224.98894	43.5
225.01117	2.4
225.99043	4.1
262.76175	1.3
285.02020	1.8
285.12750	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	285.0438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	33.3
59.19334	1.5
71.27078	2.6
73.71030	1.4
119.05028	56.4
120.05340	2.9
120.99658	100.0
138.05177	1.6
160.50993	1.5
163.04047	7.2
168.95662	1.6
225.16101	4.4
267.88040	1.5
285.04059	2.1
298.59814	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	284.1254
Annotation	HC Blue No. 2
Peak:m/z	Relative Intensity
58.02976	1.9
62.15591	1.0
71.01382	2.2
71.50956	1.5
72.99284	0.9
76.09436	0.9
79.11779	0.9
82.02990	3.0
83.06142	9.7
84.04547	4.2
84.40611	0.9
85.02921	1.2
85.04059	1.2
98.02458	1.2
99.05640	2.3
101.07188	2.7
108.02044	1.4
109.04058	2.7
111.05634	2.6
113.07212	59.6
114.04794	1.3
114.05612	3.4
114.07536	1.8
119.05024	6.4
120.01237	1.5
120.99651	8.6
123.04548	1.4
126.01955	1.6
127.05138	19.9
128.03537	5.1
133.01411	0.9
136.86124	0.9
138.05591	1.7
139.08728	4.9
139.28192	0.9
145.06183	7.8
151.02608	16.3
152.03021	10.2
152.08298	1.2
153.10336	2.2
155.08223	1.9
156.06644	1.8
163.03911	0.9
169.09793	1.2
178.09848	1.5
180.11423	90.3
181.09830	3.4
181.11688	3.3
182.09306	1.3
190.92953	0.9
198.12469	81.9
199.00999	2.3
199.12746	3.6
206.09309	2.9
222.12491	1.1
223.10852	1.5
224.08272	0.7
224.10394	16.7
224.98917	3.3
240.13516	3.9
242.11520	7.9
258.81857	1.0
266.11447	46.3
267.09790	4.1
267.12189	1.9
284.07224	3.9
284.12503	100.0
284.26718	4.9
285.12851	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	283.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54792	1.0
50.85092	0.9
57.03444	1.4
59.01376	31.1
71.01370	6.0
71.04991	1.0
71.52928	1.6
72.99305	5.3
73.02924	3.3
75.00864	11.4
83.05019	1.2
85.02937	2.4
87.00863	2.2
89.02422	3.8
95.05037	1.4
96.96000	3.2
99.04562	1.0
101.02435	1.2
109.01711	2.5
109.02966	0.9
110.02440	1.1
113.02408	1.1
114.05591	1.5
119.03478	1.4
119.05012	2.9
125.06055	1.3
127.63894	1.0
137.09654	1.1
150.04192	2.7
151.04515	1.8
153.09175	1.1
154.99783	1.3
159.11813	1.5
161.04799	3.2
162.05623	1.3
163.11282	2.4
168.06564	1.3
176.07130	2.2
201.80331	1.1
203.12831	2.2
207.10246	1.7
209.11760	2.4
221.11720	1.7
221.15439	1.3
237.14944	1.6
239.12761	2.4
255.02896	1.1
265.10754	1.7
283.02155	1.9
283.05020	2.4
283.08569	2.5
283.11874	4.9
283.15491	28.7
283.26401	100.0
284.12549	2.2
284.15643	2.2
284.26736	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	283.1703
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
51.79333	0.4
59.01368	0.5
60.66515	0.4
68.58395	0.4
84.05946	0.4
93.37441	0.5
106.04247	0.6
107.05026	100.0
108.05338	3.3
114.44865	0.4
119.48672	0.5
123.04561	0.6
152.18069	0.4
163.11279	99.3
164.11604	4.1
193.30589	0.5
229.07320	0.6
261.64648	0.4
273.61441	0.4
283.17023	83.3
283.26373	28.1
284.17303	6.7
284.26736	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	284.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16351	1.7
56.34997	1.7
59.01397	2.4
61.98819	6.7
70.72414	4.8
71.01390	8.7
72.99265	2.7
73.02934	3.6
74.02464	2.9
78.95906	4.0
82.02968	1.8
85.02959	8.6
96.96005	4.4
96.96947	3.7
99.05670	2.1
100.04039	2.4
110.02419	2.0
113.07233	11.6
114.05615	8.7
115.00372	5.6
117.01930	3.4
119.05032	100.0
120.01246	34.9
120.99655	34.2
123.04546	2.3
127.05131	3.3
129.01947	7.3
133.01431	14.4
136.94003	3.3
140.07201	2.7
143.01979	2.5
145.06154	2.3
146.68692	1.9
149.96291	2.1
150.04181	4.0
151.02612	2.3
152.02968	2.1
160.98560	1.7
163.03986	17.2
168.99924	3.8
169.09775	2.2
177.83069	2.1
180.11458	18.9
182.09386	8.8
184.97749	2.1
195.02998	2.2
198.12474	15.0
199.00919	7.6
212.10374	3.2
214.80414	1.7
224.10442	2.7
224.98911	9.6
235.92436	1.9
242.11415	2.7
266.11398	7.8
266.65851	1.8
267.09866	5.0
267.87247	1.9
283.26407	27.3
284.00836	3.2
284.03735	3.2
284.07526	3.4
284.12531	29.5
284.15924	3.3
284.26746	30.8
285.03854	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1549
Annotation	Tsugicoline E
Peak:m/z	Relative Intensity
57.03435	2.0
58.00554	0.8
59.01379	22.4
65.41904	0.6
69.03446	3.7
71.01375	2.8
71.05023	1.1
72.99309	3.8
73.02942	15.1
75.00871	4.7
83.05033	4.1
85.02931	1.1
87.00864	3.3
87.04504	1.2
89.17082	0.6
95.05012	0.7
109.01684	3.3
109.06612	0.8
110.02496	1.6
113.02454	1.0
113.24853	0.7
123.08118	0.9
125.09839	0.7
137.09676	0.8
146.92929	0.8
149.09763	1.2
159.11769	3.2
161.04752	0.7
165.12854	6.6
168.06656	1.3
177.09177	1.7
177.12904	0.8
193.12355	5.2
203.10747	2.8
203.14423	1.8
205.12367	1.4
209.11815	2.5
211.04080	0.9
221.11864	2.6
223.04405	0.9
223.13350	8.0
237.14886	6.6
239.12749	4.9
239.16330	1.0
255.02930	2.7
265.10794	2.4
283.02405	3.0
283.15500	100.0
283.26382	46.0
284.15747	9.3
284.26776	2.5
288.63647	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0684
Annotation	Xanthosine
Peak:m/z	Relative Intensity
53.58797	0.2
58.99618	0.3
59.01373	1.0
61.98854	0.9
71.01385	1.0
71.38476	0.4
78.95926	0.3
82.02975	0.2
83.06157	0.4
85.02959	0.5
87.00864	0.2
89.02455	0.6
99.05661	0.2
101.02449	0.2
102.98573	0.9
108.02039	11.0
109.02382	0.2
113.02462	0.3
113.07213	4.0
117.00443	0.5
119.72142	0.2
126.03130	0.3
127.05143	1.3
128.03598	0.3
133.01512	0.5
134.01915	0.2
139.08836	0.2
143.02043	0.4
145.01686	0.5
145.06200	0.5
150.04193	0.9
151.02614	100.0
152.03052	2.0
154.06226	0.4
165.04134	0.2
168.99883	0.5
170.99744	0.2
171.01585	0.2
180.11429	5.6
182.09402	0.2
196.79497	0.2
198.12456	5.0
201.02635	0.3
224.10423	0.9
242.11407	0.5
266.11420	2.6
267.09930	0.3
283.06802	14.5
283.26404	8.0
284.07547	1.0
284.12488	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	281.1759
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
50.04775	1.2
57.03456	10.5
59.01379	100.0
60.99295	3.8
71.01381	3.1
73.02939	2.9
83.05006	3.3
85.02942	2.9
95.05032	6.6
97.06593	21.8
98.03822	1.1
98.20428	8.3
99.08128	1.6
99.92444	1.2
109.06567	2.9
111.04513	2.4
111.08129	2.2
123.08155	4.7
125.06125	3.0
127.07582	3.4
135.08113	2.4
137.06035	2.5
137.09695	2.9
139.11299	2.8
155.07104	1.6
155.10713	1.5
165.09238	2.5
165.12833	2.6
171.06625	3.8
183.10292	12.2
183.13846	9.1
217.87079	1.7
219.17522	34.6
220.17857	2.6
229.07677	1.5
235.17110	1.7
237.14973	2.1
237.18475	6.6
245.15663	2.1
263.16479	18.3
281.12253	10.5
281.17542	85.3
281.24442	8.4
282.17868	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	282.0843
Annotation	Guanosine
Peak:m/z	Relative Intensity
52.08797	0.2
52.98815	0.3
66.00981	0.7
69.66550	1.5
82.04106	0.9
85.02942	1.2
90.00994	0.3
98.20704	0.5
101.77329	0.3
107.03648	4.1
108.02041	11.6
109.02371	0.3
126.03088	3.5
130.08733	0.7
133.01564	31.8
134.01944	0.5
143.02010	0.4
150.04210	100.0
151.02615	0.5
151.03661	0.4
151.04539	1.9
192.05243	0.3
198.02519	0.3
254.08810	0.6
256.10437	1.3
282.08432	25.7
283.08612	1.2
283.26389	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1759
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
55.86850	1.2
59.01374	10.5
60.99291	5.9
64.27380	1.2
69.03453	2.0
71.01382	2.5
71.11976	1.8
71.12296	2.0
72.93369	1.1
73.02917	2.1
81.20948	1.3
83.05029	3.8
95.05029	9.6
97.06593	32.0
98.20148	1.4
99.08154	2.4
111.04523	2.8
111.08144	1.8
113.06070	3.6
113.09750	1.8
115.07595	1.6
123.08163	10.0
125.06074	4.1
127.07618	2.9
135.08200	2.0
136.12962	1.3
137.09727	4.0
139.11273	4.9
141.09262	2.0
143.07135	2.3
152.04764	1.7
155.10751	1.9
165.09195	2.1
171.06563	6.0
172.07396	1.9
183.10268	27.9
183.13873	12.5
202.91734	1.4
205.64967	1.4
215.53975	1.4
219.17532	61.4
220.17813	3.2
235.17075	3.4
237.18590	10.1
245.15265	1.7
249.12254	1.1
263.16489	26.3
264.16766	1.7
281.17569	100.0
281.24408	3.4
282.17877	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	281.1759
Annotation	Fumagillol
Peak:m/z	Relative Intensity
57.03434	4.9
57.87100	2.9
59.01369	14.6
69.03448	13.0
70.28239	13.0
71.01375	6.2
73.02951	10.3
76.86369	2.7
77.43235	2.8
83.05041	7.2
87.03699	2.9
95.05035	5.8
97.06608	18.1
99.08136	4.1
107.08662	9.9
109.06578	8.0
111.04520	7.2
111.08161	39.3
112.99589	3.7
114.31666	3.2
119.08690	17.5
121.10252	3.6
123.08153	16.2
125.06069	15.5
125.09723	25.5
127.07607	8.4
127.89831	3.4
135.08171	3.4
137.06070	7.5
137.09726	43.6
139.07597	11.2
141.09160	9.0
143.07140	100.0
150.76308	3.0
155.05927	5.0
155.07143	75.3
157.08722	23.0
165.12871	4.0
185.08171	23.1
191.78252	2.9
201.16438	5.2
219.17523	6.5
235.16977	5.8
236.95108	3.5
245.15521	8.9
262.47946	3.4
263.16510	54.6
281.17584	65.5
282.17841	4.8
294.08649	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	281.1756
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
50.25089	2.5
54.28596	1.9
57.03427	4.0
59.01385	10.5
67.01879	2.1
69.03447	8.1
71.01652	4.3
71.05023	2.6
71.23582	1.9
72.89347	2.0
81.03490	3.8
83.05018	3.8
84.02163	6.1
95.05046	4.8
97.02945	26.6
97.06564	13.1
109.06558	4.3
111.08124	5.0
121.06622	3.1
125.06042	3.1
127.07645	8.4
133.06522	2.7
135.08145	3.5
137.09731	15.8
143.07133	27.9
149.09703	15.4
151.11298	4.5
153.09172	2.9
155.10782	4.5
163.11198	2.6
165.09109	5.2
165.12839	4.7
167.10747	4.4
181.08609	3.7
183.10248	7.0
193.08582	2.8
197.11818	6.0
199.09735	6.8
201.16537	2.3
211.09894	3.0
212.10483	5.1
219.17503	23.0
243.45590	2.2
245.15411	5.9
263.16473	44.1
264.16843	3.2
273.39954	2.3
281.17575	100.0
282.17880	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	281.1758
Annotation	Fumagillol
Peak:m/z	Relative Intensity
57.03444	9.0
59.01377	33.7
68.59416	2.7
69.03445	16.0
70.83547	7.0
71.01383	3.0
71.05009	4.1
73.02940	8.2
79.70501	2.5
81.03451	2.9
83.05045	10.4
96.99050	2.5
97.06623	15.5
107.08672	6.1
109.06600	4.8
111.04520	5.1
111.08150	28.8
113.09698	4.0
119.08660	6.2
121.06595	2.8
121.10201	3.9
123.08170	14.6
125.06091	15.5
125.09737	24.1
125.34987	2.8
127.07675	9.0
137.06078	4.1
137.09726	30.4
139.07658	10.7
141.09215	9.6
143.07138	100.0
144.07484	5.2
155.07138	49.7
157.08688	23.3
164.14847	2.8
165.12747	3.1
167.07184	5.0
169.08612	3.1
173.08165	5.5
181.12296	13.2
185.08185	18.2
193.12320	3.3
195.13951	3.5
197.11781	8.1
201.16447	5.5
205.12419	3.7
219.17482	11.2
223.13428	12.5
235.17029	3.2
245.15517	6.6
263.16473	43.0
264.16766	4.9
281.17587	55.7
281.20505	2.6
282.17886	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	281.1756
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
57.03441	2.0
59.01370	8.7
69.03443	8.9
71.01356	1.2
71.04990	1.2
73.02937	1.1
80.02681	1.6
81.03460	3.7
83.05014	4.6
84.02154	4.0
85.02948	4.1
95.05018	3.2
97.02946	42.2
97.06567	5.8
98.20744	2.4
99.04487	1.7
105.92289	1.1
109.06559	3.8
111.04554	1.1
111.08182	7.1
119.08654	4.3
122.55982	1.0
123.08162	2.9
125.06052	4.5
125.09675	2.3
127.07654	5.7
135.08167	1.9
137.09718	18.7
139.07664	1.3
141.09230	1.4
143.07135	32.2
144.07486	1.7
147.08202	1.6
149.02328	1.3
149.09715	13.2
151.11264	6.4
153.09245	2.0
155.07108	2.3
157.08667	2.8
165.09195	2.4
165.12840	2.2
167.10753	3.4
173.08060	1.3
175.07620	1.1
183.10248	3.1
185.08191	2.4
193.08698	2.8
211.09743	3.5
212.10504	4.3
219.17514	10.8
245.15419	4.8
263.16498	39.0
264.16824	1.9
281.17551	100.0
281.24344	3.1
282.18015	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	281.1759
Annotation	4-[Tetrahydro-5-(1-hydroxy-1-methylethyl)-2-methyl-2-furanyl]-1-cyclohexene-1-carboxylic acid methyl ester
Peak:m/z	Relative Intensity
50.02773	1.6
57.03437	6.9
59.01377	13.7
67.52567	1.4
69.03461	3.8
71.01374	2.7
71.05016	9.4
79.05535	1.6
81.03454	2.2
83.05030	3.4
87.00864	1.5
87.91288	1.7
93.03451	7.6
93.07091	1.7
95.05046	13.8
97.06589	65.6
98.06902	2.1
98.20755	2.7
99.00922	1.9
107.05019	10.0
107.08657	4.9
109.02933	1.9
109.06567	3.2
111.08183	3.0
113.09715	8.8
119.08652	2.3
121.10241	14.0
123.08098	1.5
125.06075	2.3
125.09616	1.6
133.02930	7.0
135.04497	2.1
137.02417	1.7
137.09750	4.1
139.07634	3.6
141.05569	2.3
143.07137	25.7
147.08192	4.2
147.11813	1.6
157.08704	14.4
159.00847	4.2
165.07175	1.7
165.09212	3.6
165.12869	3.4
169.08723	3.6
173.04510	8.9
175.53645	11.7
176.03793	1.8
178.02742	4.3
179.14392	3.6
181.12369	1.9
187.32858	1.4
191.05600	5.8
195.10358	1.7
201.16521	4.7
205.12372	5.7
209.11781	3.9
211.13373	10.9
212.13806	1.7
219.17540	5.5
223.13391	80.1
224.13753	4.9
233.15439	2.3
237.05504	2.6
245.15390	7.2
263.16510	100.0
264.16803	7.5
281.04559	12.2
281.14410	2.9
281.17575	79.3
281.24658	7.2
282.17825	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	281.1759
Annotation	4-[Tetrahydro-5-(1-hydroxy-1-methylethyl)-2-methyl-2-furanyl]-1-cyclohexene-1-carboxylic acid methyl ester
Peak:m/z	Relative Intensity
55.70483	1.1
57.03452	8.3
59.01382	13.8
69.03449	2.6
71.01382	2.9
71.05025	7.4
71.52207	2.5
81.03449	3.6
83.05022	5.6
85.02952	2.2
87.00893	1.9
93.03446	5.3
93.07090	1.7
95.05028	13.7
97.06591	59.3
99.08176	1.4
107.05042	12.6
109.06579	3.4
110.66651	1.3
111.08150	2.6
113.02435	1.6
113.09725	6.2
119.08654	3.1
121.10239	18.2
123.08160	2.7
123.42091	1.3
125.09738	1.5
128.03235	1.2
133.02939	2.1
135.04517	2.2
135.08206	1.5
137.02483	2.1
137.09746	4.8
139.07671	4.0
141.05627	2.5
143.07123	10.5
147.08128	4.8
157.08690	18.4
165.09253	2.6
165.12825	3.1
169.08713	3.4
173.04567	4.0
175.53632	7.9
176.03790	1.5
177.01910	1.7
178.02728	2.8
179.14391	4.7
181.08659	1.8
181.12341	1.5
191.05580	3.0
201.16527	2.9
205.12314	3.8
209.11836	3.7
211.13400	6.7
212.13696	1.4
216.17799	1.2
219.13832	1.3
219.17531	5.2
223.13388	84.7
224.13704	6.5
225.00208	1.2
237.14996	2.3
245.15460	4.5
263.16510	100.0
264.16895	7.8
281.14401	4.1
281.17572	81.4
281.24741	4.3
282.17981	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	281.1393
Annotation	Carolenalol
Peak:m/z	Relative Intensity
55.01877	2.2
57.03450	17.9
59.01379	11.0
65.03950	3.8
69.03451	2.6
71.01377	1.9
71.05022	3.5
71.52778	1.4
72.51560	0.8
73.02951	1.0
79.95718	2.2
80.90947	0.9
81.03462	1.4
83.05024	19.1
85.02952	2.7
85.06562	1.1
87.00877	20.7
93.03454	3.1
95.01400	1.3
95.05041	6.5
96.00919	1.0
96.96013	1.5
97.02960	2.1
98.03704	2.2
99.04501	1.7
101.06126	1.1
107.05019	0.8
109.01670	1.7
109.02969	1.4
109.06573	1.9
111.04510	8.4
111.08149	4.5
113.06116	2.2
116.75894	0.8
119.05031	2.1
119.08666	2.9
121.02911	1.1
121.06598	11.5
122.03761	1.5
123.08160	39.7
124.05289	4.1
124.08483	2.3
129.07108	2.1
133.02904	1.2
134.03748	29.1
135.04086	1.0
135.08153	1.8
137.02454	6.4
137.06065	1.5
137.09726	5.3
138.06819	2.0
139.04024	1.6
139.07686	6.6
145.10233	5.1
149.06093	8.7
149.09729	1.4
151.07680	5.2
153.09192	5.2
162.27945	1.0
163.11275	1.3
165.09180	1.5
169.08690	3.8
169.10223	6.3
171.10304	2.1
171.11790	44.2
172.12186	2.8
175.11333	1.1
178.02715	22.1
182.69724	1.0
185.09756	1.2
189.12837	16.4
193.05063	55.2
194.05367	3.3
201.11165	1.8
201.12862	17.0
204.64555	1.0
207.13918	10.2
208.14212	1.0
219.13904	6.8
237.14955	65.7
238.15314	3.9
245.06493	1.1
281.07025	3.4
281.13943	100.0
281.24768	4.7
282.14215	8.9
287.02200	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1394
Annotation	11-Hydroxyalliacolide
Peak:m/z	Relative Intensity
55.19556	0.8
57.03448	3.9
59.01397	1.2
62.56499	0.8
69.03461	1.3
71.01387	5.2
71.05016	1.7
71.30739	1.3
72.02188	1.2
73.02949	20.9
81.03440	1.9
83.05018	1.5
99.04525	2.2
105.07087	2.2
109.06583	5.4
113.06083	0.9
121.06585	1.4
123.08161	2.0
134.03716	5.4
149.06070	2.6
161.09717	1.0
161.19382	0.8
162.72737	0.8
163.11282	5.8
165.12790	0.9
177.16029	0.9
178.02724	4.6
191.10764	1.8
192.84468	0.8
193.05055	13.2
193.12334	30.4
194.05252	0.8
194.12680	2.0
201.12856	1.9
207.13898	2.7
217.12273	1.0
221.11697	1.8
235.13416	2.3
237.14955	27.4
238.15372	1.3
270.13861	0.9
281.13940	100.0
282.14270	6.9
283.19830	0.9
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	11-Hydroxyalliacolide
Peak:m/z	Relative Intensity
57.03439	2.8
59.01366	2.6
60.28738	0.6
61.77378	0.6
69.03444	1.1
69.50724	1.5
69.51134	3.8
71.01390	4.7
71.05009	2.2
72.02158	0.8
73.02948	25.2
74.02454	0.9
78.95896	0.6
79.38430	0.6
81.03455	1.9
83.05024	1.7
85.06609	0.7
96.96949	0.7
99.04518	2.1
105.07122	1.0
106.08015	0.6
109.06586	6.0
121.06566	1.1
123.08189	1.3
134.03716	3.7
135.08159	0.8
136.94199	0.7
137.02493	0.7
137.09792	0.9
142.32639	0.6
149.06052	1.2
163.07607	1.6
163.11270	8.5
178.02744	1.6
179.10655	0.8
191.10799	1.7
193.05037	6.4
193.12331	25.3
194.12683	1.7
201.12891	3.9
202.09930	0.7
207.13914	3.2
217.12349	1.1
221.11842	2.0
235.13359	4.0
237.14954	26.1
238.15378	2.6
281.13943	100.0
281.24844	1.9
281.95734	0.6
282.14304	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	281.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.2
57.03450	17.9
59.01379	11.0
65.03950	3.8
69.03451	2.6
71.01377	1.9
71.05022	3.5
71.52778	1.4
72.51560	0.8
73.02951	1.0
79.95718	2.2
80.90947	0.9
81.03462	1.4
83.05024	19.1
85.02952	2.7
85.06562	1.1
87.00877	20.7
93.03454	3.1
95.01400	1.3
95.05041	6.5
96.00919	1.0
96.96013	1.5
97.02960	2.1
98.03704	2.2
99.04501	1.7
101.06126	1.1
107.05019	0.8
109.01670	1.7
109.02969	1.4
109.06573	1.9
111.04510	8.4
111.08149	4.5
113.06116	2.2
116.75894	0.8
119.05031	2.1
119.08666	2.9
121.02911	1.1
121.06598	11.5
122.03761	1.5
123.08160	39.7
124.05289	4.1
124.08483	2.3
129.07108	2.1
133.02904	1.2
134.03748	29.1
135.04086	1.0
135.08153	1.8
137.02454	6.4
137.06065	1.5
137.09726	5.3
138.06819	2.0
139.04024	1.6
139.07686	6.6
145.10233	5.1
149.06093	8.7
149.09729	1.4
151.07680	5.2
153.09192	5.2
162.27945	1.0
163.11275	1.3
165.09180	1.5
169.08690	3.8
169.10223	6.3
171.10304	2.1
171.11790	44.2
172.12186	2.8
175.11333	1.1
178.02715	22.1
182.69724	1.0
185.09756	1.2
189.12837	16.4
193.05063	55.2
194.05367	3.3
201.11165	1.8
201.12862	17.0
204.64555	1.0
207.13918	10.2
208.14212	1.0
219.13904	6.8
237.14955	65.7
238.15314	3.9
245.06493	1.1
281.07025	3.4
281.13943	100.0
281.24768	4.7
282.14215	8.9
287.02200	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65836	1.2
58.99593	4.3
59.01378	47.5
60.97546	1.3
61.98833	7.1
62.53217	1.0
69.32674	3.9
69.33105	5.9
71.01378	3.4
72.37582	1.0
72.65013	1.2
73.02943	3.1
73.98331	1.4
74.98684	2.1
74.99097	34.6
78.95902	8.7
85.02954	16.1
87.00874	2.5
96.96010	1.7
96.96967	6.8
98.02476	1.6
101.02436	3.0
107.03638	4.3
108.02044	8.8
113.02429	1.4
119.05016	2.9
120.99620	2.8
126.03088	4.9
129.01939	17.6
131.01674	3.0
133.00626	1.7
133.01573	29.9
134.03749	15.6
136.99149	19.9
137.02409	3.1
141.51610	1.1
142.98058	1.8
143.01993	10.7
149.06081	6.2
150.04213	100.0
151.02165	1.5
161.04579	1.7
164.95380	1.7
168.67929	1.1
168.99907	11.3
178.02716	11.9
188.07138	3.8
193.03348	2.4
193.05057	31.7
193.12402	1.6
194.05280	1.3
211.04564	3.3
237.15015	1.8
281.07104	2.4
281.10931	2.8
281.13943	10.2
281.24823	8.9
282.03616	3.2
282.08405	28.1
282.11349	2.1
282.13947	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	281.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	4.1
61.98843	5.5
70.15652	2.5
70.16052	1.5
71.01385	2.6
73.02944	1.4
74.99067	7.7
75.00877	1.0
78.95911	1.8
85.02950	79.4
87.00860	2.4
88.98804	1.8
89.02449	1.3
95.27294	0.9
96.96010	4.6
101.02449	2.8
111.00858	1.3
113.02477	1.9
119.05020	2.4
125.00908	1.4
126.98846	1.5
129.01945	100.0
130.02211	2.9
133.01523	1.9
133.02979	1.7
134.03740	40.9
135.04033	2.1
136.99158	5.4
137.02464	9.8
139.03993	2.8
141.00468	1.8
143.02005	38.6
143.03166	1.9
144.02139	2.4
145.01537	1.2
145.06189	2.0
149.06102	10.8
150.04185	4.0
151.00142	3.5
167.05600	4.7
168.99921	36.0
170.00075	2.5
178.01237	2.0
178.02705	26.4
193.05049	74.1
194.05409	3.4
195.27744	1.0
209.03035	1.5
211.04619	12.2
237.14717	1.4
243.06180	1.1
273.72772	1.1
281.02402	3.0
281.06229	1.5
281.11285	1.7
281.13943	4.2
281.25040	2.3
281.29050	1.1
282.08411	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	281.0278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.80818	0.4
69.98696	1.8
74.99099	1.0
85.02950	82.1
86.03279	1.7
88.77698	0.5
89.02547	0.5
99.16507	0.5
101.02425	0.9
111.00889	0.6
122.99375	1.5
125.00938	1.7
127.02520	0.7
129.01944	100.0
130.02264	2.7
133.01611	1.1
134.03683	1.0
136.99205	0.6
141.00449	1.6
143.02002	60.7
144.02122	3.5
150.04185	3.8
150.98973	0.6
151.00116	2.6
157.42111	0.6
165.04062	1.3
167.05630	8.6
168.05818	0.7
168.99921	57.7
170.00047	4.5
178.02687	0.5
181.03426	0.6
193.03525	0.7
193.05020	2.9
207.01471	0.8
209.03046	1.5
211.04617	20.7
212.04794	1.8
237.02411	2.3
243.06294	0.9
246.67480	0.7
255.03627	1.2
263.00473	2.1
281.01450	5.7
282.02106	0.5
282.08478	1.1
298.50110	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0278
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98011	0.5
57.85550	0.5
58.99602	7.1
59.01381	7.5
60.83392	0.6
61.98831	6.3
65.25806	0.5
70.79742	1.6
71.01383	0.8
72.99300	0.8
73.02940	0.8
74.99091	6.4
77.82580	0.6
78.95905	0.9
80.93232	1.7
85.02951	88.9
86.03307	1.3
87.00885	1.0
89.02455	0.7
98.99094	0.8
101.02474	1.0
119.05094	0.6
129.01945	100.0
130.02281	2.8
133.01575	0.7
134.03719	5.3
135.98416	0.7
136.99155	3.7
137.02461	1.6
141.00404	0.9
142.98123	0.6
143.02007	32.0
144.02156	2.1
149.06076	2.6
150.04224	2.2
151.00154	1.7
152.89545	0.6
157.06978	0.8
164.95357	4.5
167.05672	4.3
168.99934	31.7
170.00053	1.5
178.02727	5.2
184.61185	0.6
193.05067	13.2
193.12361	0.9
194.05469	0.7
208.94368	0.5
209.03020	0.9
211.01494	0.6
211.04611	11.2
212.04938	0.7
237.02603	0.7
237.14920	1.4
261.76340	0.6
281.02444	2.6
281.07816	0.9
281.11200	4.5
281.13989	4.1
281.16681	0.6
281.24866	1.7
303.08716	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2328
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
52.94948	0.2
59.01370	0.8
61.56396	0.2
70.53152	0.4
70.53481	0.4
71.01389	0.4
89.45331	0.2
94.72518	0.2
102.15002	0.2
111.17549	0.2
261.22198	0.5
279.23267	100.0
280.23618	8.9
280.26712	0.4
296.15558	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.6
59.01375	5.4
61.07453	1.2
66.97547	1.2
70.02969	3.9
70.26848	1.4
70.27186	4.1
71.01398	6.4
72.00911	16.6
73.02949	1.7
82.02973	3.2
83.05014	1.4
85.01683	1.2
88.04029	1.7
91.05538	5.4
93.03424	1.6
96.00926	5.7
99.00880	4.8
103.05530	1.9
109.01695	100.0
110.02045	2.4
110.85288	1.2
112.02445	1.7
114.01965	4.7
115.00400	1.7
116.05016	1.4
118.06643	14.8
119.05036	2.1
127.36375	1.3
140.40219	1.2
145.02907	1.5
147.04523	36.2
147.08183	1.8
148.07672	2.1
150.24136	1.3
161.17245	1.3
164.07175	89.2
165.07523	6.0
174.09251	5.2
175.07687	2.1
176.05736	2.2
176.07181	24.6
190.08705	1.7
200.07103	4.9
202.05005	1.5
218.08206	4.7
220.06175	3.1
244.06140	70.7
245.06367	4.8
262.07178	15.5
263.07751	1.4
280.08124	1.9
280.23547	3.4
281.13846	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	279.2327
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
50.10086	0.3
69.20344	0.7
69.20753	3.1
77.91943	0.4
99.18800	0.4
118.81139	0.4
123.26254	0.4
176.68399	0.3
195.66512	0.4
279.23279	100.0
280.23642	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	279.1601
Annotation	Acrostalic acid
Peak:m/z	Relative Intensity
54.15076	3.8
55.34381	3.9
57.03421	5.3
59.01374	25.9
60.99305	5.2
62.05245	4.1
62.45021	3.3
63.45435	3.4
69.03455	5.2
70.96420	6.8
70.96748	4.1
71.01378	10.0
71.63786	3.4
72.99295	3.8
73.02950	8.7
83.05058	5.1
85.02965	8.3
95.05010	31.1
97.02951	8.1
97.06586	49.5
98.03704	4.8
99.04543	4.8
101.02439	6.6
107.08641	15.7
109.06583	10.7
111.04465	4.6
113.06078	8.2
121.06637	4.3
123.04507	8.3
123.08134	12.5
125.06063	5.6
127.07652	8.6
133.06621	7.3
135.08128	7.8
137.09665	15.3
149.05928	4.6
149.09732	4.6
153.12857	6.6
163.11230	9.2
171.06592	20.6
181.08708	11.8
181.12321	83.5
189.12833	4.2
209.71924	3.9
217.15959	84.9
235.17006	45.5
243.14055	5.5
261.14948	44.2
279.12885	5.8
279.16016	100.0
279.19257	7.1
279.20181	6.1
279.23221	49.1
280.23550	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	279.2328
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
59.01385	0.9
69.03454	0.5
71.01376	0.3
74.66547	0.2
74.79454	0.1
83.05059	0.2
85.40868	0.1
98.19846	0.3
112.58009	0.2
133.98993	0.2
154.59277	0.1
251.23782	0.4
261.22186	0.6
279.23273	100.0
280.23605	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	279.1603
Annotation	Papuanone
Peak:m/z	Relative Intensity
50.06416	1.1
51.55943	1.0
52.20802	1.1
55.01876	3.6
57.03455	7.9
59.01381	24.2
59.24129	1.2
65.03961	32.8
69.03451	1.9
71.01407	1.2
71.05029	23.6
71.52226	1.7
72.33169	1.1
83.05028	8.9
90.83102	1.0
95.05036	14.1
96.96018	1.8
97.06593	100.0
98.06915	1.8
101.02470	1.6
107.05029	1.9
109.02964	1.4
109.06582	2.5
111.08159	2.6
113.09721	4.3
119.08675	7.2
119.58384	1.0
121.06593	48.5
121.10249	3.3
123.08165	4.4
135.08202	1.8
137.09731	5.8
139.07635	5.4
147.08275	1.2
154.69041	1.3
157.08698	52.3
158.09041	1.8
163.07774	1.9
163.11238	6.4
165.09177	1.5
177.12877	3.1
181.08711	26.6
183.10242	15.5
207.10251	63.3
208.10641	3.4
217.15977	4.2
221.11810	4.6
261.14963	12.2
279.12726	2.2
279.16068	15.9
279.23288	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	279.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90736	1.2
54.91852	1.2
55.01882	9.5
56.84911	1.3
57.03450	7.1
58.00582	4.6
59.01377	70.7
69.56617	6.2
69.57021	2.1
71.01379	100.0
71.05011	6.0
72.99308	6.0
73.02942	28.1
75.00841	1.9
76.83244	1.1
78.34284	1.1
79.25103	1.1
80.96531	1.4
81.03433	2.3
83.01389	21.6
85.02951	40.0
85.06600	2.3
87.00878	4.6
89.02444	32.1
95.01377	7.3
95.05022	1.5
96.95995	2.1
97.02927	1.9
97.06596	1.3
99.00877	12.0
101.02442	86.3
105.07092	4.0
107.05033	2.4
109.06591	2.3
111.00860	1.7
113.02447	38.4
117.09237	2.4
119.03503	12.2
119.05015	1.9
121.06595	1.9
125.02428	2.9
125.06065	2.8
129.01936	3.3
131.08667	2.1
137.00632	1.6
137.06044	3.4
137.91936	1.1
143.03482	4.6
159.03004	8.8
161.04552	35.9
161.09589	1.7
163.00705	1.2
163.99335	3.8
165.00162	3.0
176.01105	5.5
179.10664	1.8
183.08121	2.7
184.08838	1.6
187.11298	1.6
187.34064	1.1
189.12851	4.7
191.03482	6.4
199.11304	11.4
202.10013	1.5
205.03529	1.6
205.12308	2.0
207.13728	1.2
217.12294	17.3
235.13411	6.3
242.30281	1.4
244.06171	2.6
246.10072	4.9
279.08130	1.3
279.08661	1.5
279.12289	25.9
279.14581	13.2
279.23248	13.0
280.12643	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	5.0
55.40468	1.2
57.03443	7.0
58.00592	1.7
59.01379	71.7
59.26447	1.3
69.03453	2.3
69.84301	6.9
71.01379	100.0
71.05020	7.3
72.99297	4.4
73.02942	28.1
74.34268	1.3
75.00849	2.7
83.01385	20.1
84.02147	1.6
85.02459	2.4
85.02950	39.6
86.03317	1.3
87.00877	4.5
89.02444	33.8
93.03454	1.7
95.01393	7.2
96.96029	2.0
97.02911	1.6
97.06564	1.5
99.00892	12.0
99.04517	1.8
101.02439	85.2
105.07095	6.0
107.05033	1.8
109.01719	1.8
109.06591	2.8
111.00896	1.8
113.02447	40.9
117.09170	2.2
119.03509	14.4
119.05008	2.1
121.06577	1.3
123.04527	2.4
125.02397	1.6
125.06102	3.2
128.40567	1.2
129.01938	2.4
131.08678	2.0
137.00639	1.4
137.06061	3.3
139.07657	1.5
143.03462	5.2
147.04565	2.6
159.03004	9.9
161.03256	2.6
161.04543	35.8
161.09738	1.9
163.99353	3.2
164.07187	1.9
165.00174	2.2
176.01115	3.2
179.05606	2.3
179.10780	3.2
183.08130	2.9
184.08868	1.6
187.11317	1.9
189.12849	4.8
191.03491	6.9
199.11296	11.2
205.03418	1.7
205.12379	3.2
217.12314	17.2
235.13358	5.8
246.09932	3.9
279.08032	2.8
279.09064	2.3
279.12289	26.8
279.14581	14.0
279.23257	18.3
280.12619	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1238
Annotation	Nigellic acid
Peak:m/z	Relative Intensity
54.63496	1.0
57.03450	13.0
69.37545	7.6
83.05023	2.7
85.59981	1.0
89.62351	1.0
95.05016	3.1
97.02951	6.6
97.06590	2.4
109.02950	6.8
109.06592	4.1
111.04536	3.9
119.08665	3.2
121.06583	5.5
122.03734	16.5
123.04498	4.0
123.08187	1.4
124.05308	20.5
125.06087	4.4
136.05247	1.1
137.06081	10.9
139.07648	100.0
140.07962	4.2
145.10191	1.7
147.08185	3.6
161.09659	2.0
163.07626	2.1
167.49747	0.9
168.07909	25.1
169.08607	2.4
171.08173	4.3
175.11272	1.2
177.12831	2.3
187.11261	20.8
188.11610	1.4
189.09190	1.6
190.10013	5.0
205.12311	34.9
206.12639	1.2
217.12267	1.4
235.13455	4.7
249.11401	2.0
279.09207	1.3
279.12332	7.0
279.23120	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	279.1085
Annotation	Hymenoside M
Peak:m/z	Relative Intensity
52.86949	0.8
55.01868	0.9
57.03444	0.9
58.00586	1.2
59.01379	47.5
61.98815	1.6
70.41268	2.2
71.01011	1.6
71.01382	25.6
71.05016	12.6
72.99301	2.3
73.02931	1.6
78.95883	0.8
80.96484	1.6
83.01376	3.3
85.02946	8.0
87.00863	2.3
89.02445	27.2
95.01409	2.0
99.04524	6.3
101.02445	17.7
101.06080	1.8
113.02444	11.3
113.06120	1.5
115.07683	1.0
116.51906	0.7
117.05581	83.8
118.05910	1.2
119.02785	1.1
119.03519	11.5
119.04884	1.0
127.08725	1.2
131.03505	1.0
134.04704	2.4
138.03088	1.8
143.03474	0.9
147.04501	1.1
149.04507	0.8
159.06596	2.2
160.02664	1.7
161.04463	0.9
164.07112	2.7
165.07504	1.0
173.02452	0.8
173.04492	1.5
176.01157	1.8
179.05565	1.5
191.03566	1.9
191.05574	4.4
199.11185	1.2
215.99881	1.0
217.12291	1.7
226.04312	0.8
240.69850	0.8
244.05945	1.2
279.10800	100.0
279.23196	7.2
280.11179	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	279.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60415	0.7
57.03428	1.7
58.00586	1.4
58.02946	0.8
58.26040	0.7
58.99606	1.4
59.01379	39.7
61.98111	0.6
66.13626	0.7
66.92834	0.7
69.85681	3.2
69.86056	1.5
71.01380	22.2
71.04655	0.9
71.05023	12.7
72.00932	0.9
72.99315	1.9
73.02937	1.1
79.26478	0.9
80.96496	1.0
81.50906	0.8
83.01364	1.8
85.02944	5.8
85.35081	0.7
87.00837	1.3
87.04535	0.9
89.02440	22.7
90.85850	0.7
93.03447	0.8
95.01366	1.3
95.99391	0.7
99.00891	0.9
99.04500	3.4
101.02445	14.7
101.06053	2.2
103.91956	0.9
112.70536	0.8
113.01725	1.0
113.02454	9.5
113.06082	1.9
117.05579	78.5
118.05911	1.9
119.03500	10.0
123.04478	0.9
131.03490	0.8
134.04692	1.8
143.03516	1.0
143.04582	1.2
153.85577	0.8
158.82048	0.9
159.06532	2.1
160.02690	1.2
164.07112	1.4
165.07492	1.9
173.04588	0.8
179.05550	1.2
191.03545	0.8
191.05548	2.3
203.75778	0.7
244.06142	1.1
279.10822	100.0
279.23233	5.1
280.11176	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	279.0987
Annotation	H-PHE-ASP-OH
Peak:m/z	Relative Intensity
57.01562	2.1
58.99607	15.9
59.01377	66.6
64.04245	2.6
68.59035	2.4
70.02998	2.9
70.22780	4.3
70.23178	4.5
71.01383	58.5
71.02503	69.9
71.05009	5.8
72.00878	4.5
72.99297	4.1
73.02948	7.1
78.95897	3.9
79.95739	2.4
83.01360	3.2
85.02941	9.4
87.00878	4.1
88.04035	35.2
89.02448	29.2
91.05534	6.6
93.03457	9.7
95.01418	3.0
96.00899	4.2
96.95990	5.2
96.96947	3.2
98.02445	3.1
99.00854	3.3
99.04510	5.2
99.05628	6.8
101.02438	28.5
107.05029	6.3
109.01694	2.4
109.02880	2.5
110.02455	4.8
111.01959	3.1
113.02473	14.1
114.52332	2.2
115.00377	50.6
115.08773	37.1
116.07164	5.9
117.05575	59.0
118.05926	2.6
119.03508	13.9
119.05043	22.5
120.05297	3.2
127.08729	2.4
129.01926	3.3
132.03012	4.0
135.04518	2.3
144.54167	2.4
146.06120	18.7
147.04498	18.1
163.03983	4.0
163.07503	3.5
163.08755	46.4
164.07144	65.7
164.09207	2.9
173.04526	6.8
173.09286	5.8
176.01219	3.7
180.06602	9.6
191.03638	4.1
191.05576	16.2
202.54189	2.3
217.12291	4.2
220.71564	2.4
235.10890	48.5
235.14487	6.4
240.79918	2.6
243.06111	5.9
261.08719	9.6
269.49771	2.3
279.10214	100.0
279.13483	57.3
279.23282	31.3
280.10687	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	278.1146
Annotation	Phe-Asn
Peak:m/z	Relative Intensity
52.29033	1.1
57.14337	1.5
58.02978	13.0
59.01379	9.1
59.42566	1.8
69.80078	4.7
69.80482	3.2
70.80218	1.2
71.01377	5.9
71.02505	21.8
71.05009	3.2
72.00903	9.5
74.00049	1.4
75.69614	1.2
79.21856	1.7
80.74284	1.2
85.02948	2.1
89.02451	5.0
91.05531	5.9
95.02493	4.9
98.02486	17.5
98.20673	1.7
99.04479	1.8
101.02477	2.4
109.01685	6.9
110.02486	2.6
112.05157	2.7
113.02441	1.8
113.02682	1.8
113.03574	32.7
113.45348	1.3
117.05580	15.8
118.06627	19.7
119.03543	2.0
126.04366	8.8
130.06223	19.5
143.04601	4.1
144.06642	1.4
147.04521	33.0
148.07663	1.8
152.43365	1.4
160.02585	1.4
164.07159	100.0
165.07497	5.6
175.08754	27.3
191.02986	5.1
191.05647	3.3
191.07445	1.5
192.06758	1.7
199.08711	3.7
200.07175	4.1
216.11516	2.0
217.09811	13.0
244.06178	4.5
261.08780	31.7
278.11456	57.5
278.22028	5.7
279.10822	17.7
279.23364	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	278.048
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23461	0.3
59.01378	0.8
61.98829	100.0
63.99268	0.5
70.27722	0.9
70.28102	0.6
71.01376	0.6
73.02946	0.3
78.95904	0.4
79.24158	0.3
82.02948	0.3
87.39269	0.3
94.47108	0.3
110.02475	0.9
111.01981	0.6
114.05589	0.4
117.05614	0.7
130.08728	0.9
134.04736	2.2
134.97064	0.7
135.97128	0.7
136.96715	0.3
137.61273	0.3
156.99963	0.5
158.87811	0.3
164.96396	0.7
194.18205	0.3
233.99098	0.3
243.06238	1.2
247.97128	0.5
277.98428	1.5
278.04794	39.0
278.22076	0.5
279.04996	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	277.2172
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01384	1.0
64.73829	0.4
69.57379	1.8
69.57809	1.2
75.38807	0.4
86.41880	0.4
115.46757	0.5
166.08551	0.4
167.85593	0.5
201.86710	0.5
229.26662	0.4
273.62216	0.5
275.20291	0.5
277.21716	100.0
278.22061	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	277.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66140	0.2
56.47326	0.2
57.73636	0.2
59.01377	4.0
62.67440	0.2
65.89975	0.2
69.98457	0.5
69.98866	0.6
71.01378	0.5
83.74919	0.2
91.88367	0.2
127.07639	0.5
128.47459	0.2
133.02924	0.3
140.45413	0.2
147.05673	0.2
152.78253	0.2
154.83000	0.2
205.15993	0.8
233.22784	0.5
247.82014	0.2
250.09993	0.2
259.20572	0.5
262.12137	0.6
275.20126	0.5
277.18402	5.3
277.21695	100.0
278.18359	0.7
278.22034	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	277.2172
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01375	2.8
68.59734	0.4
69.48880	0.8
69.49288	1.1
83.53936	0.3
102.65370	0.3
102.76638	0.3
233.22720	0.4
252.26300	0.4
259.20685	0.5
275.20142	0.5
277.21698	100.0
278.22046	7.8
278.24973	0.7
280.51312	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00184	0.6
58.02969	4.5
60.46632	0.7
69.47075	4.1
69.47482	1.7
70.02960	1.1
71.02509	0.9
72.00897	1.2
82.06618	2.6
91.05527	6.2
92.05082	1.1
112.07691	4.8
115.77133	0.7
119.05196	0.8
119.11668	0.8
128.03497	1.6
129.06662	1.6
129.10345	69.3
130.06616	6.9
130.08743	10.3
130.10655	2.1
141.10332	4.7
144.04587	3.6
146.06123	1.2
146.08160	1.3
147.04520	20.2
148.04010	1.2
164.07164	21.9
174.05602	6.5
190.05116	4.3
215.08110	0.9
216.14015	0.9
233.16631	5.0
277.15549	100.0
277.21667	8.2
278.15952	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	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
50.27474	0.2
54.37016	0.2
58.87001	0.2
59.01381	2.5
70.29075	0.5
71.01380	0.4
83.05045	0.2
97.06641	0.2
110.93089	0.2
127.07639	0.4
149.60022	0.2
172.20041	0.2
200.72739	0.2
205.15970	0.4
233.19075	0.3
233.22722	0.6
259.20581	0.6
275.20139	0.4
277.21701	100.0
278.18921	0.4
278.22040	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	277.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02957	0.7
59.01387	1.1
71.01378	0.7
71.05016	0.9
71.77192	0.5
72.00909	1.7
75.00887	1.9
91.05526	4.7
92.05073	0.9
95.47184	0.6
96.95993	0.6
98.20622	1.1
103.05537	0.7
112.07696	1.3
128.03539	0.7
129.10344	72.7
130.06645	1.5
130.08687	0.9
130.10648	1.5
131.07201	0.7
135.04588	0.7
141.10316	0.7
143.04593	0.8
143.54724	0.7
144.04541	1.3
146.06068	0.9
146.08203	1.4
147.04527	21.3
149.67912	0.6
164.05746	0.8
164.07147	17.5
169.82706	0.7
174.05557	1.6
190.05063	1.6
233.11711	0.6
233.16615	6.9
277.15558	100.0
277.21674	8.7
278.15881	7.0
278.22110	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1226
Annotation	(4E,6E)-1-(4-hydroxyphenyl)-7-phenylhepta-4,6-dien-3-one
Peak:m/z	Relative Intensity
58.02977	15.7
59.01373	1.3
64.92686	0.7
69.97676	2.0
69.98073	1.6
71.01394	0.7
74.02477	1.2
85.04083	0.7
87.02744	3.1
88.96524	0.7
89.86227	0.6
97.04091	0.9
98.20637	0.8
99.05636	18.3
116.01753	2.7
131.05360	1.6
133.04422	3.9
133.06932	38.7
143.04619	100.0
144.04939	2.1
203.92931	0.7
277.12234	31.2
277.21634	1.0
278.12476	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	277.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	15.7
59.01373	1.3
64.92686	0.7
69.97676	2.0
69.98073	1.6
71.01394	0.7
74.02477	1.2
85.04083	0.7
87.02744	3.1
88.96524	0.7
89.86227	0.6
97.04091	0.9
98.20637	0.8
99.05636	18.3
116.01753	2.7
131.05360	1.6
133.04422	3.9
133.06932	38.7
143.04619	100.0
144.04939	2.1
203.92931	0.7
277.12234	31.2
277.21634	1.0
278.12476	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	276.1241
Annotation	Obscurolide A3
Peak:m/z	Relative Intensity
54.12199	0.8
91.05530	2.3
98.20670	1.7
100.07664	0.8
101.06087	1.1
102.99332	0.8
118.06646	2.5
123.09768	0.9
128.07179	35.0
193.37640	0.7
204.13899	1.6
229.01942	0.9
232.13406	100.0
233.13774	6.1
276.12411	1.7
277.18549	0.9
277.21579	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	277.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40556	0.5
53.41066	0.4
56.82251	0.5
57.03441	0.6
59.01379	2.5
68.01406	4.7
69.52398	1.7
69.52808	1.7
71.01375	2.6
73.02969	0.9
85.02979	1.4
92.05103	1.5
96.96955	0.8
98.20578	0.9
101.02441	2.0
109.01707	1.5
110.02499	1.9
112.00479	0.8
113.02486	1.0
115.07679	0.9
117.03443	2.8
119.05019	0.6
120.04533	0.8
121.02966	1.4
135.04538	2.7
144.04614	0.7
145.02966	4.6
147.05659	3.4
147.06677	0.5
161.02417	2.1
161.04619	1.3
162.03224	1.1
163.04008	100.0
164.03511	2.6
164.04588	1.0
175.05170	1.0
189.01964	1.3
202.31125	0.5
205.06165	2.3
215.05791	0.9
217.10814	1.2
233.05702	1.3
260.05554	0.6
277.04840	4.3
277.09088	1.1
277.11920	31.9
277.21698	9.7
278.12213	2.0
278.21915	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55409	1.3
53.60666	1.0
58.02971	2.3
59.01376	1.8
60.66721	1.4
66.03458	1.3
66.43569	1.0
70.02977	12.5
70.34283	1.3
71.02703	2.9
72.00887	1.4
73.94675	1.3
84.04547	16.2
91.05527	14.2
96.04543	10.2
96.63037	1.2
98.02476	100.0
99.02786	1.2
109.01691	4.2
110.02454	6.9
111.00887	5.4
111.03260	20.4
113.02460	1.7
116.05016	1.3
118.06640	27.5
123.03262	5.6
128.03540	1.9
147.04523	23.1
159.08131	3.8
161.09669	1.6
164.07146	13.6
174.05644	1.7
184.07652	27.5
184.91061	1.2
185.07957	1.4
186.09216	2.5
188.10767	14.8
196.07703	5.5
199.06367	1.5
201.15213	1.2
202.08737	52.7
203.09024	2.0
211.87035	1.3
212.07205	2.0
214.08749	7.2
232.09778	22.4
246.07701	63.7
247.08112	2.9
258.07666	5.2
276.08749	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	276.0335
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10125	0.5
59.01366	1.4
61.98827	9.7
67.01855	0.6
70.99254	1.1
71.01372	0.9
73.02947	0.6
74.16603	0.5
83.04927	0.5
85.02946	10.2
87.00884	2.7
88.81635	0.5
93.03459	3.9
109.02980	0.9
111.04501	1.2
113.02393	0.5
127.04010	3.0
133.01460	0.5
137.02444	0.7
148.94936	0.5
171.97377	1.5
173.04539	1.3
191.05600	100.0
192.05952	3.1
203.47255	0.5
255.90302	0.4
276.03430	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	275.2015
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
51.69166	2.5
53.64351	2.4
60.18639	3.1
63.62448	3.0
69.95217	10.9
141.06754	2.8
196.79774	2.8
231.21165	100.0
232.21503	9.7
244.91449	3.0
245.19145	3.3
275.17068	4.7
275.20093	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1515
Annotation	p-Coumaroylagmatine
Peak:m/z	Relative Intensity
56.04938	0.2
58.02976	0.3
59.01381	0.6
85.02973	0.2
93.03439	0.3
97.75330	0.2
112.08795	0.4
119.05032	100.0
120.05364	3.4
127.05128	1.8
127.05963	0.3
132.05798	0.2
138.06731	0.5
139.26662	0.2
144.04572	0.5
144.58725	0.2
145.02956	0.6
146.02481	2.0
146.06223	0.2
147.03374	0.2
147.04520	0.3
160.04036	1.1
162.05618	0.3
169.04019	0.3
171.05606	0.4
172.03992	0.4
188.03583	0.3
189.06702	0.8
191.11909	0.6
204.06567	0.4
215.04599	0.4
222.31921	0.2
229.56181	0.3
231.07739	0.4
233.12936	10.9
234.13246	0.7
258.12491	0.5
275.06924	0.5
275.10394	0.8
275.15131	18.8
276.15341	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	275.2015
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
59.01376	5.4
65.94078	0.3
70.29223	1.1
71.01375	1.1
83.05028	0.7
93.27039	0.3
98.20049	0.4
170.23474	0.3
177.09198	0.5
177.16469	2.7
183.13969	0.3
191.10657	0.4
203.18025	0.7
205.12231	0.5
223.90771	0.3
231.21165	10.2
232.21593	0.8
257.19058	1.2
275.20132	100.0
276.20471	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	275.1138
Annotation	Itoside M
Peak:m/z	Relative Intensity
57.03439	0.2
58.02976	0.4
59.01384	0.9
61.48767	0.2
63.12336	0.1
64.64124	0.1
65.53458	0.2
66.83290	0.1
67.00144	0.2
67.05534	0.2
69.30489	1.4
71.01390	1.5
72.99281	0.2
73.02931	0.3
75.00871	0.4
79.95747	0.2
83.01352	0.3
85.02952	0.7
88.31889	0.2
89.02448	0.2
98.19891	0.2
99.00865	0.2
101.02444	0.5
104.16086	0.1
104.85287	0.2
113.02546	1.0
113.06092	100.0
114.06407	2.9
119.05007	0.2
127.07641	0.2
144.04547	0.3
146.02486	0.3
146.06104	0.2
159.03224	0.4
160.04059	0.4
161.04561	0.5
162.05602	0.3
165.09096	0.2
172.04071	0.4
176.03522	0.2
188.03453	0.3
189.06705	1.1
205.36650	0.2
231.07802	0.5
275.06256	0.7
275.11328	0.4
275.18619	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02964	0.5
63.25162	0.4
67.03013	2.1
70.02966	1.2
71.01383	1.7
72.00896	1.1
72.99332	0.6
74.62227	0.5
79.95746	0.4
82.02979	5.5
91.05531	1.9
96.95995	2.3
98.02454	1.0
107.02512	2.6
107.90180	0.5
109.04075	17.7
110.66507	0.4
112.04052	3.2
112.28255	0.5
118.06583	0.8
119.05027	0.9
127.05136	100.0
128.03493	0.6
128.05502	2.0
134.03755	1.5
139.05141	0.8
139.07634	0.9
147.04515	6.5
149.06091	0.7
160.03952	0.7
160.08798	0.5
163.03987	1.3
164.07150	3.2
176.03535	2.2
177.04298	2.3
186.05653	0.5
189.06737	1.2
192.06674	3.9
214.08717	0.9
231.07803	0.6
231.11430	3.1
263.81042	0.5
275.06119	4.5
275.10382	53.4
276.10782	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	274.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88997	0.5
53.69481	0.5
59.01363	1.1
69.02464	0.5
71.51296	0.7
75.38445	0.5
76.76281	0.6
78.97331	1.1
79.98116	1.9
103.04332	0.7
104.05058	3.1
107.04978	0.6
110.24245	0.5
115.00383	0.6
120.04475	0.6
122.06117	25.1
130.08719	1.7
137.60455	0.7
139.86945	0.6
141.05586	0.5
143.11888	0.9
148.04045	1.2
158.08299	0.7
171.01151	0.8
186.02289	100.0
187.02597	3.0
200.14056	0.7
210.40387	0.6
228.03391	0.6
244.12750	0.7
274.03894	30.8
274.14008	1.5
275.04584	1.0
275.07755	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	275.0787
Annotation	Ranunculin
Peak:m/z	Relative Intensity
50.03634	0.3
56.43628	0.3
59.01372	0.9
61.98819	0.7
88.91193	0.3
93.90168	0.3
111.04489	0.4
111.76954	0.3
115.03977	0.4
115.92117	0.3
119.05022	4.0
119.71129	0.3
120.04554	0.6
123.00736	2.5
127.05128	0.9
134.03616	0.4
135.04613	0.4
135.05600	0.7
140.03021	0.4
143.04628	0.6
144.04599	0.5
145.02914	0.5
145.85864	0.3
146.02466	2.5
147.03246	0.6
152.07146	0.4
160.04036	1.2
160.05231	0.4
161.02318	0.5
162.05594	3.5
162.06752	0.9
171.05623	1.0
172.03995	0.8
176.03386	2.0
177.04160	0.6
177.06686	1.4
189.04160	1.2
189.06740	2.3
191.02106	1.4
191.05728	0.6
203.05695	0.5
203.08572	0.4
204.07913	3.2
205.03737	0.7
214.06184	0.6
215.06015	1.7
217.03636	2.7
229.04939	0.6
229.07164	0.7
231.05246	4.1
232.05792	2.1
232.07367	2.6
233.06778	1.0
233.12981	0.5
243.05202	3.5
247.08377	1.4
248.06792	0.7
257.06766	1.3
260.05460	3.0
275.07852	100.0
276.08139	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05413	0.9
57.03435	2.9
59.01377	9.9
68.64766	0.9
69.03455	1.9
69.86676	1.0
70.22096	2.2
71.01369	1.9
73.02952	1.3
81.03442	1.1
83.05033	4.6
93.03508	1.1
95.56876	1.1
97.06596	6.9
99.08166	13.0
106.23847	1.0
109.06590	4.2
111.04505	1.7
111.08161	59.8
112.08522	1.1
113.06088	10.5
113.09728	6.0
115.07667	1.8
119.93316	1.2
125.06087	1.4
126.05656	1.0
127.07661	13.2
129.08318	1.8
129.09230	28.1
137.06084	4.3
139.11299	2.4
143.07146	5.0
155.07138	26.8
157.12326	2.5
173.08244	1.3
175.14886	7.5
175.92198	0.9
193.15967	8.6
209.15456	2.4
211.17006	2.2
213.14886	2.4
229.18199	2.3
255.16029	3.2
273.07733	1.9
273.17065	100.0
274.17548	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	273.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14629	0.3
57.03444	0.4
58.00604	2.8
59.01380	23.0
61.47390	0.3
63.50698	0.4
65.03929	0.3
69.03442	0.8
71.01384	16.1
71.05018	6.4
73.02946	14.8
73.06561	0.4
81.03477	1.6
83.05030	5.5
84.02195	0.5
85.02960	0.7
85.06586	1.0
87.04489	0.8
95.05022	1.1
97.02950	4.8
99.04533	2.2
101.05447	0.7
101.06086	10.1
111.04533	1.9
113.06117	3.3
115.04015	24.0
116.04303	0.4
123.08122	0.4
125.09741	1.1
127.04014	1.5
127.11293	7.8
129.05582	7.6
137.09738	1.6
139.11292	9.4
145.05069	15.8
155.10789	5.2
161.24022	0.4
165.12889	0.5
175.14926	2.8
181.12276	0.5
186.34679	0.4
191.14438	0.6
193.15929	3.3
201.01923	0.7
209.15527	0.8
215.03453	0.6
219.40150	0.4
237.15010	0.7
245.08228	1.7
255.16000	6.0
273.07632	1.2
273.17068	100.0
274.17422	6.9
290.59045	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59379	1.0
57.03449	2.4
59.01380	13.4
69.03456	1.9
69.58014	5.4
71.01384	4.0
71.05040	1.6
73.02946	2.0
75.77203	0.8
79.05256	0.9
81.03456	1.0
83.05016	2.9
84.02176	0.9
85.02927	1.0
93.03427	1.3
95.05014	2.7
97.06580	11.8
99.08163	10.7
109.06594	3.2
111.08158	31.4
112.08501	1.2
113.06083	13.7
113.09738	4.9
115.04012	12.1
115.07634	2.7
116.38676	0.9
117.35204	0.9
117.70864	0.9
125.06092	1.9
127.07652	18.3
127.11264	2.5
129.09218	23.4
130.09621	1.0
137.06082	3.3
137.09695	2.2
139.11295	9.7
143.07155	6.2
155.07147	12.3
155.10764	1.2
157.12338	2.1
163.04092	0.9
173.08249	1.1
175.14912	4.0
180.61714	1.0
193.15979	4.7
209.15503	1.9
211.17114	1.4
229.18021	1.2
249.35857	1.1
255.16039	3.4
273.17065	100.0
274.17368	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	273.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.1
58.00581	0.9
59.01110	0.7
59.01385	10.1
65.98605	0.4
66.75626	0.4
68.52000	0.4
68.74634	0.4
69.03453	1.2
69.40672	3.1
71.01379	7.1
71.05007	1.1
73.02940	6.5
81.03468	0.9
81.12467	0.5
83.05042	3.5
85.02943	0.7
85.06596	9.8
88.47148	0.5
95.05028	1.5
97.02959	1.7
97.06585	3.5
99.08172	0.7
101.02443	17.0
101.06084	1.5
107.05031	0.9
109.06590	3.9
111.08164	2.2
113.06091	1.2
115.03982	0.7
115.07648	10.7
125.06091	4.7
125.09716	0.8
127.07656	28.1
128.07971	0.9
129.09215	0.6
139.07611	0.9
140.04790	0.5
141.09215	1.0
142.98412	0.5
144.07927	0.5
145.05063	3.5
145.08723	8.1
155.10779	0.9
157.08734	0.6
163.13696	0.5
163.14908	2.5
171.10220	2.5
209.15451	0.8
227.16553	1.7
231.11333	0.6
237.14995	1.6
255.16006	8.6
273.17062	100.0
274.17374	6.5
289.23840	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02981	1.7
59.01384	1.3
64.98559	0.5
69.67065	3.5
73.04072	4.4
74.02470	1.1
84.00926	0.9
88.04040	1.2
92.05067	0.8
98.02481	10.0
98.20640	1.0
99.04523	0.7
111.04565	0.9
114.05614	4.5
119.05039	0.9
120.31093	0.6
124.97536	0.7
126.09170	0.7
128.03639	1.1
130.08743	100.0
131.08260	6.3
131.09111	2.5
132.03047	1.0
132.08624	3.7
136.04904	0.7
136.07661	1.3
136.97948	0.7
141.10411	0.9
143.11902	91.9
143.38635	0.7
144.04980	1.1
144.12251	2.4
153.76329	0.7
158.02800	1.3
163.04025	2.4
185.12943	7.6
187.10899	3.1
193.07736	2.4
211.10973	0.9
214.05118	3.1
217.05006	0.8
229.11926	95.2
230.12233	4.1
242.04611	2.4
273.03378	3.8
273.09213	2.0
273.14554	2.8
274.07190	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	273.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	7.8
59.01369	2.7
70.34302	0.7
71.01382	1.2
71.41615	1.2
73.02935	2.5
83.01392	1.7
83.05022	2.7
85.06588	2.7
97.06586	2.1
99.00874	0.9
101.02442	100.0
102.02780	2.2
109.06590	2.4
111.08115	1.4
115.07658	4.6
125.06082	1.5
127.07653	12.0
134.06056	0.7
145.08667	3.7
171.10248	13.1
202.11835	0.8
211.13390	1.7
229.14511	0.9
237.11195	1.0
255.12343	2.5
255.16110	2.5
273.13412	11.3
273.17068	34.6
274.13660	0.8
274.17422	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	273.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24345	0.9
55.01857	1.5
59.01369	4.1
63.27591	1.0
69.03446	1.9
71.01378	3.1
73.02943	2.6
82.17224	1.3
83.01379	9.4
83.05032	1.4
90.30656	1.0
97.40076	1.0
119.05022	1.7
127.11306	2.0
136.04054	1.7
136.07683	2.5
138.05632	1.3
141.09250	1.1
151.11253	1.3
169.12338	100.0
170.12643	3.9
171.10278	17.9
174.23042	1.0
184.03029	1.1
193.12318	2.5
197.11841	20.1
203.09276	1.9
211.13342	3.8
229.14314	3.7
237.11224	10.0
241.10806	78.2
242.11176	5.1
255.12309	5.0
255.15994	2.7
273.06689	4.0
273.13385	15.6
273.17023	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	273.0104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20707	0.9
59.01384	2.6
61.98826	1.9
62.53376	0.8
69.10907	0.8
71.01382	3.4
71.52813	1.0
72.99305	2.9
73.02947	25.9
73.57692	0.9
74.02482	1.0
78.95908	3.1
85.02958	0.9
97.01485	1.7
99.00894	3.3
101.00968	1.3
101.02444	5.5
103.17681	0.8
110.98552	1.5
113.00961	3.5
115.00399	4.9
115.02504	3.4
116.19149	0.8
117.01945	62.7
125.00955	4.8
126.98894	4.4
129.00432	1.6
129.04128	1.4
130.08742	9.3
130.98366	2.5
131.02008	19.9
131.09102	2.1
132.02184	1.4
133.01431	12.5
139.02592	0.9
141.00410	3.3
143.02013	2.3
144.98201	3.8
146.99763	2.7
148.98622	1.2
155.02020	2.7
156.99925	82.8
157.03548	2.0
158.00027	6.4
158.99664	1.9
159.01517	1.3
167.02025	1.5
168.99933	12.8
172.97670	24.5
172.99399	8.4
173.00969	1.4
173.01688	1.0
173.03020	7.1
173.99452	1.0
174.96577	2.2
183.01469	1.8
185.03055	2.7
187.00966	13.6
190.35817	0.8
195.01465	2.2
199.00972	16.1
200.01205	1.5
211.00977	3.0
212.98907	100.0
213.99063	6.4
222.76253	0.8
231.08969	1.4
254.98039	1.6
272.98911	1.5
273.01321	1.8
273.04721	11.0
273.10110	3.3
274.13873	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56893	0.7
59.01368	1.8
69.03425	1.0
70.21640	3.3
72.99314	1.3
78.95896	7.0
80.66936	0.7
87.00845	1.7
97.00455	0.9
97.30190	0.9
99.69171	0.8
110.98507	2.8
125.00950	37.0
126.01132	1.5
126.98882	23.3
127.02535	1.1
128.03391	0.9
141.97552	2.6
142.53856	0.9
144.95421	1.4
157.03571	1.7
159.01346	1.2
168.99933	100.0
170.00073	6.7
183.01453	4.1
185.02908	1.1
191.05565	3.7
195.01416	4.2
211.00938	1.5
212.97160	1.8
241.01126	1.0
255.00070	2.0
273.04590	17.9
274.04791	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	273.0104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20707	0.9
59.01384	2.6
61.98826	1.9
62.53376	0.8
69.10907	0.8
71.01382	3.4
71.52813	1.0
72.99305	2.9
73.02947	25.9
73.57692	0.9
74.02482	1.0
78.95908	3.1
85.02958	0.9
97.01485	1.7
99.00894	3.3
101.00968	1.3
101.02444	5.5
103.17681	0.8
110.98552	1.5
113.00961	3.5
115.00399	4.9
115.02504	3.4
116.19149	0.8
117.01945	62.7
125.00955	4.8
126.98894	4.4
129.00432	1.6
129.04128	1.4
130.08742	9.3
130.98366	2.5
131.02008	19.9
131.09102	2.1
132.02184	1.4
133.01431	12.5
139.02592	0.9
141.00410	3.3
143.02013	2.3
144.98201	3.8
146.99763	2.7
148.98622	1.2
155.02020	2.7
156.99925	82.8
157.03548	2.0
158.00027	6.4
158.99664	1.9
159.01517	1.3
167.02025	1.5
168.99933	12.8
172.97670	24.5
172.99399	8.4
173.00969	1.4
173.01688	1.0
173.03020	7.1
173.99452	1.0
174.96577	2.2
183.01469	1.8
185.03055	2.7
187.00966	13.6
190.35817	0.8
195.01465	2.2
199.00972	16.1
200.01205	1.5
211.00977	3.0
212.98907	100.0
213.99063	6.4
222.76253	0.8
231.08969	1.4
254.98039	1.6
272.98911	1.5
273.01321	1.8
273.04721	11.0
273.10110	3.3
274.13873	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0018
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	13.5
66.19824	0.5
71.01383	6.4
72.99310	2.1
73.02944	44.5
74.03269	1.1
74.99371	0.5
75.61649	0.5
78.95911	3.1
85.02937	0.6
87.00874	0.5
89.02433	1.3
93.03491	0.8
99.00887	5.9
101.02448	1.1
105.01929	0.7
110.98557	0.6
115.00372	16.4
115.02522	0.6
117.01942	100.0
118.02290	2.0
125.00924	1.2
126.98877	0.8
129.01917	0.8
131.01990	2.6
131.54985	0.5
132.02187	0.5
133.01434	42.4
134.01817	0.9
141.00464	1.2
142.99809	0.5
143.01982	0.6
155.02042	0.5
156.99931	17.7
158.00082	1.5
165.30040	0.5
166.64728	0.4
168.99899	3.1
172.06178	0.7
172.97804	0.5
172.99416	2.3
173.03096	1.4
174.96512	0.5
186.02336	1.4
187.01006	3.0
191.05627	2.9
197.26495	0.4
198.00044	0.5
199.00966	4.4
211.00891	0.8
212.98889	20.1
213.99080	1.6
229.18430	0.7
272.63611	0.5
273.04651	2.4
275.75073	0.5
284.00250	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15507	0.2
59.01361	0.2
61.98838	0.2
66.84877	0.2
66.92346	0.2
71.53468	0.2
74.02476	0.2
83.06156	0.4
100.91945	0.2
110.07230	0.9
113.07265	0.3
114.05628	0.4
129.10228	0.2
130.08754	0.3
131.08264	100.0
132.08632	1.8
134.03758	0.4
135.04524	27.2
136.04860	0.9
143.04652	0.2
143.11938	0.2
157.06168	0.8
168.22287	0.2
174.08815	2.8
193.07687	0.2
272.10345	0.4
272.16138	3.6
273.03879	0.2
273.16455	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1138
Annotation	O-glutaconylcarnitine
Peak:m/z	Relative Intensity
58.02954	2.0
59.01389	1.2
69.38596	6.6
70.02959	1.3
71.01382	14.0
74.02459	1.5
85.02940	2.0
88.04038	100.0
91.76121	0.9
96.99302	4.1
99.05607	1.0
108.02094	0.8
110.06042	1.0
112.07671	6.0
114.01955	3.6
115.00375	26.0
115.93758	0.8
119.05044	1.1
125.09702	2.7
126.10029	3.0
128.03537	1.8
131.08206	1.6
132.03043	9.3
132.11401	0.8
133.67441	0.8
135.04495	3.6
143.04578	1.5
149.19247	0.9
154.09514	1.6
156.10291	30.8
157.07451	1.3
157.08696	20.6
157.10675	1.3
158.08990	1.4
173.04358	0.9
182.11833	1.2
192.03831	1.6
205.50906	0.8
210.11333	2.6
212.52893	0.9
228.12390	31.2
229.12671	1.2
239.75693	0.9
254.10327	4.9
272.08569	12.7
272.11349	93.8
273.03757	1.4
273.08990	0.8
273.11633	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	272.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02954	2.0
59.01389	1.2
69.38596	6.6
70.02959	1.3
71.01382	14.0
74.02459	1.5
85.02940	2.0
88.04038	100.0
91.76121	0.9
96.99302	4.1
99.05607	1.0
108.02094	0.8
110.06042	1.0
112.07671	6.0
114.01955	3.6
115.00375	26.0
115.93758	0.8
119.05044	1.1
125.09702	2.7
126.10029	3.0
128.03537	1.8
131.08206	1.6
132.03043	9.3
132.11401	0.8
133.67441	0.8
135.04495	3.6
143.04578	1.5
149.19247	0.9
154.09514	1.6
156.10291	30.8
157.07451	1.3
157.08696	20.6
157.10675	1.3
158.08990	1.4
173.04358	0.9
182.11833	1.2
192.03831	1.6
205.50906	0.8
210.11333	2.6
212.52893	0.9
228.12390	31.2
229.12671	1.2
239.75693	0.9
254.10327	4.9
272.08569	12.7
272.11349	93.8
273.03757	1.4
273.08990	0.8
273.11633	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	272.099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	10.6
61.98828	0.4
71.51498	0.4
72.00925	0.6
78.64644	0.3
83.41924	0.3
84.83669	0.3
85.02916	0.6
88.04091	0.5
91.72027	0.3
103.71872	0.3
104.98000	0.3
107.54852	0.3
114.05585	0.6
117.00450	0.9
125.00871	0.4
126.49814	0.3
128.07170	1.6
129.01910	0.5
130.08739	100.0
131.09029	2.4
133.01761	0.4
139.68359	0.3
143.19952	0.3
168.99919	0.8
172.01054	0.4
178.72775	0.4
210.06268	0.5
228.07213	2.4
230.08827	7.9
231.09068	0.8
256.06750	0.5
272.09909	45.5
273.04230	0.5
273.10101	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	271.2279
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
50.46054	0.2
51.35185	0.2
55.01860	0.5
64.64891	0.3
72.99290	0.3
75.81796	0.2
83.05025	0.4
115.03964	0.2
139.92793	0.2
169.50235	0.3
197.19122	1.1
199.39948	0.2
221.19136	1.4
223.18649	0.3
223.20668	4.5
225.22229	67.4
226.22583	4.2
249.59537	0.3
253.21678	1.6
269.21298	0.4
271.22784	100.0
272.23114	6.9
277.08301	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2278
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
55.97539	0.2
56.96660	0.2
65.04198	0.2
65.18430	0.2
75.04825	0.2
98.19883	0.7
102.80949	0.3
108.02174	0.3
130.94673	0.2
144.10017	0.2
176.69077	0.2
177.13876	0.2
223.20630	0.4
225.22223	4.6
226.22562	0.3
229.28430	0.2
243.78345	0.3
253.21614	1.1
269.21173	1.0
270.50317	0.3
271.22775	100.0
272.23141	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	271.155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.0
59.01369	2.3
63.02396	3.8
65.00325	7.8
69.03462	1.2
69.21310	0.9
70.47377	1.6
70.47704	1.8
71.01375	1.8
71.05009	3.0
76.04219	1.0
78.76953	0.9
83.01373	4.9
83.05016	2.6
93.03465	5.8
98.19949	1.2
99.00871	6.0
107.01402	9.1
108.02165	2.3
109.02928	1.6
110.03720	1.8
115.03993	1.1
118.79158	1.2
119.05030	30.8
123.62214	1.1
125.02422	1.2
142.02646	1.9
150.99193	1.8
151.00375	27.1
153.12816	7.9
155.14369	1.1
165.01874	1.7
175.95569	1.0
177.01927	5.1
181.15970	1.6
185.13272	1.1
191.14380	2.5
209.15456	29.7
210.15846	2.0
211.14876	4.1
225.14984	2.5
227.14345	1.4
227.16512	18.7
228.16864	1.1
229.15855	2.7
235.13377	60.9
236.13669	3.9
238.13602	8.5
244.87929	1.0
253.14349	78.1
254.14548	4.8
271.06110	35.5
271.15466	100.0
272.06360	1.9
272.15710	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	271.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.5
58.00572	1.0
59.01377	32.2
66.29648	1.0
69.03442	2.1
71.01379	29.2
71.05016	10.3
71.52938	1.1
73.02940	21.4
75.00859	1.0
79.95718	2.5
80.96507	1.7
81.03442	2.2
83.05026	6.0
85.02943	2.2
85.06595	1.2
86.02476	1.0
87.00916	1.0
87.04520	6.5
88.04015	2.4
93.03458	0.9
95.05053	0.9
96.96003	1.7
97.02942	8.6
97.06552	2.0
99.04501	3.9
101.06075	14.0
107.08661	2.6
108.02145	3.1
109.02927	2.3
109.06631	0.8
111.08144	0.9
114.05606	1.0
115.04012	6.4
115.07679	1.8
121.10249	1.1
123.08192	1.7
125.09720	1.1
127.04018	3.1
129.05559	1.1
130.08766	1.6
133.02969	1.2
137.09717	1.0
139.07632	1.4
143.04926	1.2
145.05058	33.6
146.05345	1.3
161.13338	2.9
171.04504	1.1
173.13387	1.1
177.12869	1.2
181.12410	2.0
182.08154	1.8
183.31670	0.8
191.14449	1.1
199.03986	3.4
199.29755	0.9
215.03444	1.6
223.13297	1.0
227.03401	1.1
235.13377	4.4
241.05016	1.6
241.14473	1.6
243.02917	3.0
253.14407	20.1
254.14722	1.4
256.07272	2.1
269.13702	1.0
271.02457	28.3
271.15479	100.0
272.02734	1.7
272.15857	5.7
274.23254	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37722	0.6
58.00323	0.6
58.00593	2.4
59.01379	36.7
69.03439	3.7
71.01379	8.8
71.04980	0.8
71.29082	1.5
73.02943	8.0
73.19194	0.6
81.03447	0.7
83.05032	3.3
83.05449	0.7
85.02949	1.4
93.03468	0.7
95.05020	6.4
97.02946	3.6
99.04531	0.8
101.06106	1.8
108.05827	0.8
111.08219	0.7
113.06094	8.1
115.04013	100.0
116.04362	1.4
119.08666	4.9
125.09711	1.8
127.04037	1.0
135.08142	2.5
137.09723	23.3
138.10062	0.7
145.05070	22.9
157.05051	5.3
161.09744	0.8
191.14455	4.8
197.96515	0.6
209.15561	0.8
235.13367	3.6
253.14473	7.1
271.15500	22.4
272.15808	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47119	0.6
57.03454	5.0
58.00571	1.2
59.01382	29.4
63.08099	0.7
69.03479	3.8
70.88601	1.0
70.88923	1.2
71.01382	24.8
71.05025	4.6
72.99287	0.6
73.02952	1.0
81.03443	3.5
81.82348	0.7
83.05022	5.1
84.02187	1.0
85.02943	3.1
85.06547	0.8
87.00842	0.8
87.04518	0.9
93.03429	2.8
95.05023	1.0
97.02928	2.2
97.06574	3.0
99.08167	4.1
106.04237	0.8
108.02146	0.9
109.02966	1.2
109.06598	4.8
110.03643	0.7
111.04527	18.2
111.08160	15.7
115.04002	6.6
121.06592	4.2
121.10181	2.8
121.10980	0.7
123.04518	3.5
125.06077	0.9
127.07631	4.5
129.05553	3.7
130.08733	11.6
137.06078	3.8
137.09688	2.1
139.06819	0.7
139.07677	9.8
140.07173	1.4
149.09727	0.7
153.05537	1.1
153.09131	2.4
155.05937	1.0
155.07147	18.5
155.10771	1.8
163.11252	1.4
165.05588	0.8
173.04329	0.8
173.08186	4.9
177.09225	0.8
181.12369	2.3
183.06615	1.1
185.16595	9.4
191.14368	2.5
195.10231	1.7
228.10223	0.8
235.13371	5.2
253.14470	12.2
254.14983	0.9
271.02615	1.1
271.15472	100.0
272.15802	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	271.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.6
58.00600	7.1
59.01378	31.6
68.03422	1.4
69.03443	4.2
69.63013	1.2
69.63323	9.5
70.72480	1.6
71.01377	3.5
71.05001	4.7
73.02908	3.5
83.05009	4.5
84.02167	1.6
85.02919	3.8
97.02943	1.9
97.06583	16.6
98.20575	2.7
99.04527	2.4
109.06566	4.8
111.04546	2.3
111.08157	47.2
112.08484	2.8
113.06086	14.1
115.03992	13.3
121.06577	5.0
123.08149	2.0
125.06019	1.9
125.09686	6.2
127.07629	4.1
135.08167	7.5
137.06020	3.8
137.09706	2.8
139.07620	13.3
141.05585	13.6
141.09225	2.3
143.07103	4.1
155.07121	13.1
165.12814	2.9
169.69766	1.4
171.10321	2.2
173.13283	5.5
179.97874	1.4
191.10767	1.7
191.14381	3.5
209.11757	4.9
227.12865	40.4
228.13231	2.9
235.13518	1.4
241.04959	5.7
253.14420	5.6
256.07144	2.8
271.11874	14.0
271.15439	100.0
272.15710	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	271.155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.3
58.00593	12.5
59.01107	1.6
59.01382	23.2
69.03446	4.4
70.96957	2.5
71.01380	2.5
72.99294	1.9
73.02945	4.2
77.83891	1.0
80.79371	1.0
81.03455	1.5
83.01379	1.8
83.05019	4.5
84.02158	1.9
90.97173	1.2
95.05022	2.5
97.06590	14.4
99.08200	1.7
99.24939	1.0
109.06577	4.7
111.04518	2.5
111.07384	2.6
111.08163	53.2
113.06072	12.1
119.05013	2.7
121.06605	7.1
125.06130	1.1
127.07663	8.3
128.00481	1.2
135.08174	16.9
137.06056	6.7
137.09663	1.6
139.07652	19.2
141.05557	11.8
143.07108	5.6
155.07132	27.6
156.07416	1.6
173.08131	1.4
173.13365	8.8
191.14433	4.4
195.10225	1.3
209.15417	2.5
219.16434	1.1
235.13457	1.6
246.67995	1.1
253.14444	7.4
256.71768	1.1
271.10764	2.9
271.15500	100.0
272.15704	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	271.155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	4.4
58.00587	1.8
59.01377	19.7
67.05549	1.0
69.03452	2.3
70.86555	2.0
71.01013	1.3
71.01384	22.7
71.05016	10.3
73.02946	18.2
79.95708	1.6
81.03437	2.0
83.05022	7.4
85.02930	3.1
85.06578	1.5
87.04527	1.1
88.04033	3.9
90.43784	0.8
91.97832	1.0
93.03417	1.1
95.05048	1.8
96.85204	0.8
97.02949	7.9
97.06569	4.5
97.67640	0.7
99.04494	2.8
101.06076	14.8
104.14850	0.7
107.08643	2.1
108.02188	1.9
109.02987	1.3
109.06562	1.4
111.08118	3.1
113.06031	1.0
115.04031	5.6
115.07631	1.1
116.07169	3.5
123.08140	2.7
125.02363	1.2
125.06033	1.0
125.09679	2.1
127.03989	1.8
127.07643	5.3
129.05566	2.0
130.08748	1.7
135.04552	0.9
137.09709	3.2
145.03917	1.5
145.05058	30.3
149.05998	1.2
155.07092	3.5
155.10753	2.1
161.13358	2.0
171.10175	1.3
173.04613	1.1
173.13332	1.5
178.96165	1.1
181.08716	1.8
182.08228	2.6
185.16571	3.4
191.05597	1.3
191.14426	1.3
195.89581	0.8
216.03618	0.9
223.13326	2.1
235.13399	4.6
241.14432	1.0
243.02910	0.9
253.12077	1.2
253.14456	17.2
254.14789	1.7
269.14059	1.3
271.02496	2.0
271.15475	100.0
272.15826	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	271.1188
Annotation	Tensyuic acid C
Peak:m/z	Relative Intensity
55.01875	1.2
55.91361	0.9
57.03456	4.7
58.00580	1.6
59.01381	17.5
69.03445	3.2
70.45975	0.8
70.46313	2.1
71.01396	4.9
71.05019	7.6
73.02935	3.3
79.95727	1.1
83.01382	1.5
83.05004	2.3
84.02151	2.6
85.02953	7.8
87.04506	1.3
93.03452	1.2
95.05006	1.3
97.02934	1.8
97.06578	6.8
98.09188	0.8
99.04497	2.6
101.06065	2.7
106.04254	0.8
107.01411	0.8
108.02204	1.0
109.02983	0.9
109.06583	1.1
111.01994	1.0
111.08154	14.1
112.05269	0.9
113.06094	4.6
115.04008	21.4
119.05016	3.4
119.08624	1.2
121.06578	2.8
123.08172	3.1
125.06067	1.6
125.09725	11.8
127.07690	1.2
135.08118	2.3
137.09686	4.2
139.07697	4.0
141.05563	3.3
141.09244	4.2
145.05066	1.0
151.00363	3.0
153.09210	4.3
155.07140	2.6
155.14331	0.8
165.12823	5.4
171.10226	2.3
173.13341	1.3
178.05180	0.8
181.12309	2.5
183.13905	2.1
187.09657	0.9
191.10797	3.3
191.14372	1.6
199.13350	1.6
209.11856	10.2
213.05600	1.7
227.12875	100.0
228.13284	4.6
235.13316	1.0
241.04968	2.2
253.10751	1.1
253.14439	2.6
256.07428	2.5
271.06274	4.3
271.08972	1.4
271.11868	32.0
271.15485	44.8
272.12378	0.9
272.15778	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0822
Annotation	4-Hydroxy-3,5-dimethoxy benzoic acid 2-hydroxy-1-hydroxymethyl ethyl ester
Peak:m/z	Relative Intensity
51.15210	0.8
51.93288	0.7
55.01871	1.4
57.03441	2.8
59.01372	2.6
63.51384	0.8
68.99818	1.9
70.08730	1.8
70.09129	1.9
71.01382	10.6
72.99317	1.3
73.02947	1.3
80.39618	0.9
83.01395	7.4
83.05010	3.1
85.02937	5.6
87.00876	1.4
88.04047	16.8
93.03435	1.1
95.05017	2.3
96.99323	0.9
97.06590	8.4
99.00880	3.0
101.02406	1.2
107.05058	1.1
108.02159	2.7
109.02957	1.0
109.06573	2.6
110.03790	1.1
111.00852	1.2
111.08125	2.6
112.07699	1.4
113.09711	1.2
114.02041	0.9
115.00370	4.5
116.05061	1.3
121.02853	1.1
121.06631	1.1
123.00897	0.9
123.08177	4.5
125.02485	1.9
125.06084	6.0
125.09723	40.8
126.10059	1.3
129.01927	1.3
132.03021	1.3
135.04530	2.0
135.08138	4.9
136.01666	1.2
137.06090	5.6
137.09721	2.8
138.06395	0.9
139.07664	3.7
141.09198	3.0
142.99838	4.0
148.79846	0.9
151.07646	3.0
153.05602	4.8
153.09215	12.6
154.99863	4.0
156.10301	6.6
157.08710	4.5
165.05516	1.7
169.08768	4.4
173.00899	5.4
176.01155	3.5
179.07254	1.1
181.08702	2.0
187.78886	1.0
191.03488	3.9
191.52899	0.8
197.04524	2.9
197.08205	4.7
199.08771	1.1
227.09171	2.7
227.12852	2.5
228.12358	6.3
241.07187	4.0
254.10490	1.1
268.49313	1.0
271.08228	100.0
271.15417	5.9
271.22882	0.9
272.08560	5.5
272.11398	19.3
281.62616	0.9
292.31927	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	1.0
59.01391	0.7
69.03436	1.4
69.49442	4.0
69.49852	1.1
71.01387	7.2
73.02951	8.6
80.27489	0.7
81.97582	0.7
83.05000	0.9
89.55587	0.7
91.66677	0.6
213.74538	0.7
218.75323	0.6
237.22343	0.8
237.73434	0.7
239.23814	6.2
240.24213	1.0
267.23318	7.0
269.21405	7.0
269.24841	100.0
270.22220	1.0
270.25189	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	271.0613
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
57.03448	1.2
59.01381	13.3
59.85883	0.6
63.02401	12.7
65.00330	17.9
71.01391	0.8
71.05017	0.8
71.52663	1.0
73.02962	0.6
83.01390	13.2
83.01893	0.9
83.05029	1.0
85.02959	2.7
86.36240	0.6
87.04524	5.9
93.03458	16.1
94.30350	0.7
97.04094	1.2
97.06604	0.7
102.26349	0.6
107.01395	27.6
108.02225	1.0
109.02975	1.2
111.08157	2.3
113.06096	0.7
115.04060	1.3
117.03450	0.8
119.05032	80.1
120.05361	3.1
121.10220	1.7
123.04485	0.7
125.02421	1.8
125.09682	0.9
127.07631	0.6
137.02466	0.6
137.09859	0.6
139.07671	1.8
143.05045	1.6
145.02957	1.9
148.75070	0.6
151.00369	71.1
152.00706	1.7
153.09225	2.2
159.04582	0.7
161.06059	1.7
165.01944	4.6
165.09209	2.4
167.10785	1.0
169.01445	2.4
177.01927	11.1
183.10315	0.8
185.06075	2.1
187.03978	2.5
197.06078	0.8
213.05563	0.9
225.05624	1.5
227.07143	1.4
227.12894	4.8
240.07736	0.7
241.04958	2.8
253.14278	1.1
256.07327	2.2
271.06122	100.0
271.15497	13.4
272.06461	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	269.2486
Annotation	Margaric acid
Peak:m/z	Relative Intensity
58.00555	0.7
59.01370	0.7
69.03433	1.0
69.48194	3.1
69.48609	1.3
71.01385	7.7
72.99310	0.8
73.02946	9.2
78.21789	0.7
84.02164	0.8
99.08135	0.6
126.38910	0.6
127.09008	0.7
166.81516	0.7
225.22235	1.4
239.23761	8.6
246.61873	0.7
267.23282	8.1
269.21408	7.1
269.24829	100.0
270.25235	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	269.212
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
57.03443	0.5
59.01371	0.4
67.97994	0.2
68.21530	0.2
71.52672	0.2
73.79723	0.2
73.88328	0.2
95.04996	0.3
97.06590	1.7
99.08158	4.3
101.88039	0.2
113.02419	0.2
113.09728	2.1
123.08147	0.6
125.06071	0.9
125.09742	1.4
141.09279	0.3
143.07127	4.4
153.12834	1.1
179.38399	0.2
185.63478	0.2
187.09761	1.1
223.20595	0.7
251.20161	1.3
267.19659	1.5
269.21204	100.0
270.21564	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	269.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	1.4
58.47509	0.8
59.01377	100.0
62.39192	0.9
71.52911	1.2
71.83660	0.8
73.83952	0.7
75.89965	0.7
99.04512	4.1
117.71391	0.9
139.48662	1.1
146.91710	0.9
163.11302	1.0
165.12845	7.0
168.97479	0.9
189.12886	1.2
207.13879	17.9
209.11818	20.9
210.12213	1.2
225.14977	8.4
251.12889	8.1
269.13934	66.6
269.21237	3.2
269.24832	2.5
270.14255	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	269.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	8.2
59.01378	92.2
60.01699	0.9
60.99302	0.7
70.93431	1.1
70.93788	0.9
71.01373	1.0
73.05161	0.6
81.03457	0.5
83.03482	0.5
83.05013	4.1
87.00869	7.4
95.05034	1.1
97.02905	0.6
97.06579	1.5
99.04514	1.4
109.06600	1.2
111.08187	0.8
121.06538	0.5
163.11247	1.6
163.14983	0.9
165.12836	25.9
166.13147	1.6
181.12338	5.5
189.12802	1.8
191.10808	1.3
207.13884	19.8
208.14178	0.8
209.11812	43.3
210.12129	2.3
225.14952	15.7
226.15356	1.0
251.12828	6.8
269.13913	100.0
269.21182	1.8
270.14249	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	269.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	6.4
59.01377	77.6
65.03965	3.8
69.03452	17.3
71.01369	2.2
71.05008	1.9
71.53030	1.3
81.03464	2.4
83.05036	7.5
84.67764	1.2
85.02939	12.5
87.00874	5.7
97.02955	2.9
97.06567	2.5
99.04514	2.8
109.06614	1.6
111.08128	1.9
119.05037	1.5
119.08659	2.0
123.08173	4.3
123.79395	1.4
125.09695	1.5
137.09731	10.5
138.03403	1.2
155.08211	1.9
163.11177	2.1
165.12848	20.9
171.10281	2.1
181.12354	3.4
189.12819	4.6
191.10786	1.7
207.13863	20.2
209.11809	38.0
210.12134	1.8
225.14944	14.5
251.12881	9.7
269.13919	100.0
269.21320	5.8
269.24719	6.3
270.14246	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	269.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98015	1.2
57.03437	6.3
57.04171	1.2
59.01379	86.6
61.37807	1.5
69.80650	6.0
69.81057	2.9
70.15083	1.3
71.01374	2.3
71.05063	1.7
73.83942	1.3
74.01900	1.3
77.14187	1.2
77.68695	1.2
79.44737	1.1
83.05025	6.3
85.02930	1.7
86.69896	1.3
87.00864	5.7
93.03462	1.6
98.20701	1.6
109.06547	1.7
111.02008	100.0
114.09263	11.6
124.02823	10.0
142.02591	3.0
151.00334	1.5
155.08247	2.5
156.10356	1.9
165.12859	23.2
181.12355	5.9
189.12927	1.8
195.11420	13.0
207.13922	18.9
209.11835	45.1
225.14941	19.3
238.12000	2.7
239.12700	7.9
251.12885	6.0
269.14206	81.9
269.21133	8.1
269.24817	5.7
270.14343	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	269.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87991	0.6
59.01379	1.5
67.18974	0.6
69.03469	1.2
69.48951	4.5
71.05005	2.0
72.99313	1.0
93.03423	1.1
108.44456	0.7
153.12874	1.0
157.67143	0.7
166.21034	0.8
181.15984	2.8
198.12724	0.7
207.13832	5.7
225.14954	100.0
226.15271	4.3
251.12904	3.8
269.13934	83.2
269.21399	3.8
269.24814	3.1
270.14273	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	269.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50221	1.2
52.75702	1.3
57.03438	5.2
59.01381	58.5
69.32224	11.4
79.22436	1.3
83.05022	2.0
87.00869	5.9
97.04073	1.7
97.06622	1.8
98.20602	3.1
99.04627	1.2
111.02006	100.0
112.02328	2.1
114.09264	8.2
119.05016	1.5
119.43813	1.4
120.81358	1.2
123.02023	1.4
124.02769	10.9
142.02618	2.3
155.20334	1.3
165.12854	19.3
181.12398	2.1
191.10751	1.8
195.11380	13.3
200.60080	1.3
207.10287	1.4
207.13899	10.8
209.11836	29.6
225.14972	10.4
238.11972	2.0
239.12633	7.5
251.12895	4.0
265.28885	1.4
269.13843	50.1
269.21350	2.5
269.24890	1.4
270.14435	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	269.1296
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
52.65117	0.4
54.12879	0.4
55.75100	0.3
59.01364	0.5
59.51937	0.3
62.96413	0.5
69.40108	2.6
71.05012	0.7
87.54210	0.3
92.05030	0.4
94.02990	0.5
96.35954	0.4
98.20329	1.7
99.62004	0.5
113.53700	0.4
120.04558	3.4
134.06111	0.7
136.07632	0.8
137.02414	0.7
169.08788	0.4
183.10484	0.5
204.73087	0.4
211.08694	2.1
212.09395	0.7
214.12346	0.5
225.06816	0.5
225.10324	3.4
226.12315	1.4
236.09445	0.5
239.08205	3.8
240.08936	0.7
241.13464	3.4
251.11961	0.7
253.09756	2.8
254.10568	8.1
255.10855	0.4
269.12939	100.0
269.21161	3.5
269.24811	2.4
270.13266	6.1
278.88571	0.4
286.09506	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	11.3
57.03435	7.2
58.00587	2.0
59.01376	50.6
66.77959	0.9
66.82103	0.9
69.03465	1.8
71.01377	100.0
71.52399	1.4
72.99297	6.5
73.02945	35.7
73.03358	1.8
75.00872	2.1
79.95734	2.7
80.96493	1.1
81.03444	1.3
82.87138	0.9
83.01381	18.0
85.02946	54.7
87.00878	9.9
88.04042	1.7
89.02442	4.7
93.03461	1.0
94.97973	1.0
95.01389	6.2
95.95224	1.7
96.96001	3.7
97.02940	3.1
98.02464	1.0
99.00873	16.2
101.02440	80.9
101.89386	0.9
107.04979	1.4
108.02174	2.4
108.84866	1.3
111.00885	1.4
113.02444	37.8
113.97926	1.1
114.02791	1.0
125.02416	2.4
129.01976	2.2
143.03502	4.3
152.01167	3.2
159.02986	8.0
159.04213	1.3
159.72261	0.9
161.04556	26.7
162.05579	1.3
166.06331	3.9
181.08644	1.6
189.12866	0.9
197.02914	1.0
205.03331	1.3
245.27191	1.0
269.10330	7.5
269.13971	2.9
269.21246	4.2
269.24808	2.4
281.26563	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	268.031
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12772	2.5
59.01365	6.8
61.98828	100.0
62.84947	3.1
67.47930	2.9
71.01381	12.4
71.53135	3.2
75.73862	2.6
79.27085	2.9
85.02946	3.0
92.02567	5.7
99.00872	4.6
108.01997	4.9
130.08730	13.9
131.09100	3.8
134.04726	4.7
135.02151	5.7
135.03136	78.6
135.04172	5.2
136.02559	3.8
136.03558	70.0
143.02055	4.2
156.99899	5.0
168.99947	4.4
226.15565	3.1
226.19077	3.0
231.97359	4.1
245.82742	3.4
267.94986	4.5
268.07639	70.3
268.10452	7.0
269.07700	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	268.031
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37426	2.6
59.01375	4.7
61.98829	100.0
65.96320	2.4
71.01368	5.1
71.52743	3.6
72.99306	29.8
73.02947	21.4
78.95864	2.6
85.02945	11.3
88.03996	5.0
89.00651	3.2
89.02419	4.7
114.05604	3.0
115.00320	4.1
117.01945	46.4
125.00928	3.4
126.98835	2.5
129.00433	4.5
129.01913	15.8
131.02002	18.0
133.01427	4.8
136.03378	3.7
151.02562	4.7
152.02930	2.6
152.95956	20.6
156.99918	25.5
166.99585	3.5
167.03802	8.7
170.97034	35.1
195.01411	6.7
199.04568	5.9
225.02592	3.4
239.00388	8.6
243.03563	6.4
259.87259	3.2
268.07507	9.6
269.01505	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	267.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.0
58.54529	0.8
59.01378	11.4
60.60649	0.7
65.36562	0.8
71.01381	1.8
83.05038	1.5
96.09638	0.9
97.06604	0.8
99.08154	1.9
101.02433	1.3
105.24484	0.8
109.87144	0.9
113.09698	1.8
116.55460	0.7
121.02952	1.0
122.03743	2.6
129.05597	0.9
149.09769	3.9
167.10774	51.3
168.11104	2.3
177.16559	1.2
186.62883	1.0
205.19614	2.1
231.17453	1.1
249.18587	35.2
250.18887	2.8
267.19635	100.0
268.19931	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	267.1965
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
57.03440	4.4
59.01373	2.2
69.03461	1.1
69.95257	1.7
69.95673	0.9
71.01373	0.7
72.72797	0.5
84.17863	0.5
85.06613	0.8
95.05025	2.1
97.06591	10.5
99.08160	1.8
113.09723	8.1
125.06080	1.8
127.07669	1.0
143.07141	39.5
144.07504	1.1
151.11290	1.7
155.07033	0.7
157.08716	0.8
169.12384	0.6
175.14780	0.5
204.68999	0.5
205.19597	1.1
210.13390	0.5
223.20796	1.1
249.18582	37.1
250.18816	2.6
267.19644	100.0
268.19962	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	267.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.9
58.53968	0.5
59.01375	1.8
60.30044	0.5
62.39908	0.6
66.42221	0.5
66.93191	0.5
68.19031	0.5
71.01366	0.7
73.02934	0.6
83.05010	0.8
85.02966	0.5
85.06586	1.0
97.06597	2.3
98.20281	3.4
99.00836	0.5
99.08148	2.2
108.47047	0.5
113.09747	1.5
121.02959	0.6
122.03753	1.7
125.06101	2.0
143.07147	25.7
171.10223	0.7
178.30310	0.5
179.14372	0.7
195.13890	7.1
209.04509	0.7
220.22870	0.7
223.17081	0.8
223.20680	1.0
239.46384	0.6
249.14699	0.7
249.18614	12.6
250.18980	0.7
265.18039	0.6
267.19638	100.0
268.17120	0.9
268.19934	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	267.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65043	0.2
59.01376	0.6
61.98838	1.1
61.99120	0.2
65.01451	0.3
65.83085	0.2
65.99843	0.3
69.39801	0.9
69.40224	0.6
71.01372	0.7
73.04062	0.3
79.95741	0.9
80.73856	0.2
80.96523	0.5
85.02979	0.4
92.02548	5.8
106.04076	0.2
108.02044	3.7
108.73005	0.2
113.02464	0.3
114.05569	0.2
122.99216	0.5
126.03106	1.5
130.08769	1.0
130.09578	0.2
135.03131	100.0
136.03549	1.6
149.04697	0.5
151.02652	0.3
223.15369	0.2
237.08815	0.3
246.76741	0.2
267.07327	38.1
268.07645	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	267.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93921	0.6
59.01375	1.5
59.91970	0.6
68.96382	0.6
69.47186	3.6
69.47596	1.4
71.01368	0.9
72.02110	0.6
80.96558	0.7
84.25515	0.7
85.02969	1.2
87.00878	69.1
96.96021	1.7
98.20628	1.3
98.68364	0.6
102.68725	0.6
112.65347	0.6
119.05058	1.0
121.02971	1.1
123.04589	0.8
133.06670	0.8
134.03709	2.0
135.04521	2.6
142.50818	0.6
145.02975	2.2
146.03743	67.2
147.04250	2.6
149.06075	1.3
160.05252	1.0
161.06088	20.8
162.06348	1.0
163.04041	1.9
164.04802	44.6
165.05083	1.3
179.07143	100.0
180.07463	3.8
267.08817	6.2
267.11398	0.7
267.12735	0.9
267.15924	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1235
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
51.97529	0.6
52.47116	0.7
52.81059	0.7
54.10019	0.6
56.09761	0.6
57.03440	3.7
57.97580	0.7
59.01378	100.0
60.01719	0.9
60.99324	0.8
71.01377	1.7
71.05032	1.8
71.16929	0.6
71.53065	1.0
73.15038	0.6
74.27261	0.6
79.95742	3.0
80.96523	1.3
81.63242	0.7
83.05043	1.6
85.02945	1.0
87.00881	2.4
93.03465	0.9
100.99150	0.7
106.45672	0.7
122.03723	2.0
132.17908	0.6
147.08258	0.6
161.13403	2.5
163.11328	2.1
183.10278	1.2
187.11365	0.8
205.12288	1.5
207.10233	4.1
223.13371	39.7
224.13806	3.0
236.09552	3.5
249.14819	0.9
267.12384	6.1
267.15979	3.5
268.06851	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	266.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
69.59239	1.7
69.59675	2.1
81.35026	0.7
84.04552	5.2
102.00188	0.7
102.98593	4.1
112.00390	0.8
117.03455	3.3
119.05032	28.4
120.01264	4.0
120.05398	1.4
137.00668	100.0
138.01042	3.2
144.85616	0.6
145.02962	15.8
145.99178	4.2
146.03265	0.7
151.02263	4.1
162.46756	0.6
176.77025	0.6
188.07167	46.0
189.07481	1.9
222.05940	13.8
223.06319	1.0
231.73676	0.6
231.90289	0.6
245.14005	0.7
266.04938	5.7
278.49719	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.3
61.98810	0.5
65.01450	0.3
68.34298	0.2
70.38573	0.5
71.01383	1.0
72.99293	0.2
75.00874	0.2
78.95949	0.2
79.58797	0.2
85.02968	0.9
87.00880	0.6
89.02467	0.6
94.78381	0.3
101.02444	0.4
103.70753	0.2
108.02040	10.9
113.02475	1.0
120.99624	0.3
122.99239	1.8
123.00040	0.5
126.03118	0.4
135.03113	1.8
150.01854	0.3
151.02612	100.0
152.03082	1.7
177.04169	3.7
206.95459	0.4
229.08304	0.2
240.03635	0.2
267.07318	30.4
268.07663	1.3
271.43671	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58759	0.6
57.03445	4.2
59.01367	2.3
69.03441	1.0
70.96409	0.9
70.96765	1.3
95.05012	4.1
96.96007	1.8
97.06590	19.8
113.09728	8.8
132.37016	0.8
139.07632	2.7
143.07115	0.9
149.09697	4.9
155.10773	3.1
157.08687	10.7
167.10750	3.6
169.08739	3.4
203.17807	0.9
221.19081	1.3
226.36575	0.7
247.16997	5.4
258.00226	0.8
265.18060	100.0
266.18387	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	265.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.9
57.58450	0.4
59.01382	2.1
60.35009	0.4
61.66077	0.4
66.54731	0.4
66.55141	0.3
69.03448	0.6
71.01370	0.8
75.58320	0.4
78.72315	0.4
80.02674	0.5
80.26839	0.4
95.05025	5.5
96.96008	7.9
97.06585	22.1
101.02550	0.4
111.08176	0.9
113.09720	2.9
121.10221	1.1
137.09705	0.5
139.07629	1.2
141.05573	1.0
143.07233	0.4
149.06291	0.4
149.09708	8.1
157.08696	5.3
160.33092	0.4
164.11665	0.4
167.10719	0.6
167.14371	0.8
169.08685	1.6
176.08479	0.6
184.38985	0.4
203.17947	0.4
205.52615	0.4
221.19142	2.0
247.17021	3.6
265.14902	8.2
265.18051	100.0
265.21393	4.1
266.18344	5.4
266.21417	0.5
266.21967	0.4
280.66382	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1807
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
57.03450	2.1
59.01374	13.1
70.99886	2.2
71.01359	2.4
71.05016	13.4
83.05018	2.2
96.96029	7.8
97.06605	2.5
101.02470	1.8
109.06535	1.2
120.46445	1.4
121.10222	2.4
138.56100	1.4
143.07150	2.9
149.13316	2.4
163.14893	4.7
177.09132	2.0
178.18095	1.1
181.12393	1.5
189.12865	1.1
193.12344	2.6
193.23225	1.3
194.10768	1.2
195.13872	4.9
203.18005	9.0
207.13892	49.8
208.14163	2.2
218.08302	1.2
247.17010	39.8
248.17308	3.0
265.14734	7.1
265.18057	100.0
266.18411	5.1
286.53726	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	265.1809
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
50.34444	0.9
59.01382	16.2
61.08906	0.9
61.98849	0.9
69.03440	1.1
71.01395	2.4
71.05024	9.0
71.14442	1.4
83.05025	1.9
96.96024	2.8
129.05542	1.7
129.73734	1.0
135.11784	1.4
149.13336	3.1
163.14935	4.5
176.08379	1.2
177.09195	1.3
181.12337	1.2
189.12900	1.9
193.12469	1.6
203.18028	11.8
205.12340	1.2
207.13893	79.6
208.14218	4.1
221.19063	2.0
229.15939	1.2
247.17024	61.4
248.17297	3.5
265.18073	100.0
266.18427	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	265.1809
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
56.33736	1.3
57.03458	2.0
58.16735	1.5
59.01394	3.9
60.14919	1.5
62.56501	1.3
63.24390	1.5
69.32368	7.9
69.32784	4.5
71.18388	1.4
75.70682	1.9
77.51456	1.5
94.42068	1.8
95.05028	2.9
96.77342	1.5
97.06578	15.9
99.08166	2.7
113.09725	3.9
121.10238	63.2
122.10619	2.0
125.06084	7.0
143.07143	100.0
144.07538	2.2
149.09717	3.3
149.13359	3.0
157.08704	4.4
167.10823	2.7
203.18021	13.1
247.17024	61.6
248.17307	2.2
258.07935	1.9
265.18088	72.7
266.18576	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	265.1445
Annotation	Fascicularone B
Peak:m/z	Relative Intensity
57.03448	14.9
58.99605	100.0
59.01378	2.4
59.99895	0.9
63.96236	2.3
69.03465	2.2
70.82500	2.7
71.01376	1.3
72.99315	6.3
73.98317	2.7
74.99100	36.2
75.85753	0.9
76.00743	0.9
77.48704	1.0
79.11465	1.0
83.05016	4.1
87.00869	5.4
87.04473	1.0
87.40108	1.0
93.03468	3.9
95.05021	2.3
96.95998	2.6
97.06581	1.1
99.00904	1.1
103.66866	1.0
109.06592	3.5
117.97260	1.3
120.99635	2.8
121.06576	2.9
123.08191	1.3
125.09751	1.4
133.02980	2.1
135.04532	2.6
135.98354	4.6
136.98117	1.5
136.99150	24.9
137.02460	1.1
137.09709	1.2
149.02429	1.5
151.07639	1.1
151.11276	1.2
155.03517	0.9
161.09729	1.4
163.03926	1.1
164.04816	2.1
165.73428	0.9
172.92439	1.1
173.04524	2.0
177.02007	1.0
177.09534	10.7
179.03497	1.5
179.07135	1.2
184.09789	1.0
187.46634	1.2
191.14398	3.4
201.12860	2.0
203.14342	3.4
205.12276	1.7
219.13933	4.6
221.15454	46.4
222.15765	2.1
247.10115	2.8
247.13472	1.5
265.11099	38.1
265.14420	70.3
266.11765	2.7
266.14737	2.7
266.17563	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	265.1443
Annotation	Fascicularone B
Peak:m/z	Relative Intensity
57.03446	30.4
65.32069	0.7
69.03461	2.9
69.44518	0.6
69.57977	4.5
71.01404	0.7
71.05056	1.0
82.86308	0.6
83.05025	6.6
87.75756	0.6
93.03473	0.8
95.05040	1.0
97.06611	1.9
106.04246	1.7
108.02180	0.7
109.06575	6.7
121.06573	4.5
123.08189	3.4
123.90401	0.7
125.09677	1.3
135.04503	1.3
137.09743	0.8
147.08244	0.6
149.02472	0.8
151.11276	0.8
163.11252	1.7
165.09038	0.7
174.82941	0.6
179.07057	0.8
191.14407	5.1
193.15988	1.0
203.14391	2.1
205.12315	2.1
219.13841	6.1
221.15448	87.6
222.15686	4.6
265.14410	100.0
266.14719	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	265.1445
Annotation	Rugosal A
Peak:m/z	Relative Intensity
56.33657	0.6
57.03449	19.5
58.40950	0.6
59.01367	1.5
79.05535	3.9
83.05025	4.9
95.05013	1.3
97.06583	2.4
99.65421	0.7
105.07126	1.0
114.37920	0.7
119.08652	1.9
121.06600	2.0
129.07086	0.8
137.09720	2.8
137.35512	0.7
147.08130	0.8
151.11263	1.0
161.09772	1.2
161.25349	0.7
163.11278	1.8
166.08403	0.7
169.10202	6.1
175.04063	0.8
177.12843	1.6
181.12328	2.5
185.11842	1.2
185.13336	9.9
187.11298	1.3
201.12794	0.8
203.14388	8.2
233.08191	2.0
241.06450	0.7
265.14432	100.0
266.14801	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	265.1444
Annotation	Rugosal A
Peak:m/z	Relative Intensity
57.03441	8.8
59.01369	3.6
65.03953	7.6
69.03454	2.4
71.01372	7.6
71.51868	3.3
80.02650	2.0
81.03448	22.1
82.24418	1.8
83.05028	33.2
85.02953	2.8
87.15032	1.9
93.03477	14.7
95.05028	6.0
97.06657	2.6
108.02180	3.4
109.02948	7.7
109.06602	5.7
110.03720	5.4
111.04519	58.6
113.06033	1.8
121.02961	2.5
122.03750	3.3
123.04528	4.3
134.03708	2.5
139.11252	7.4
140.23294	2.2
152.34821	2.0
171.10229	4.6
176.08372	5.0
177.09256	2.7
177.12816	5.7
183.10341	2.5
191.10699	2.5
193.15962	18.0
203.14557	2.2
212.32637	1.9
219.13936	6.8
221.11826	20.8
237.14954	85.4
238.15273	3.8
247.13403	19.7
265.14444	100.0
265.17899	5.8
266.14761	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	265.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36787	0.4
63.98042	0.4
68.98340	0.4
70.89285	0.7
101.00663	4.9
120.99659	100.0
121.99999	1.0
132.38875	0.4
144.99655	3.8
153.68710	0.4
173.72388	0.4
248.37804	0.4
265.03885	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1055
Annotation	2'-Amino-2'-deoxyadenosine
Peak:m/z	Relative Intensity
57.03445	1.5
59.01365	1.9
69.03458	1.2
69.71932	2.8
70.90741	0.5
71.01385	0.6
71.05020	11.0
78.99455	0.6
79.88567	0.5
80.96504	0.8
81.95290	0.5
83.05029	1.7
83.91517	0.6
85.02946	1.0
95.05001	1.0
96.96008	2.6
97.02924	1.7
97.06581	1.7
108.05843	0.6
109.06574	0.8
117.67721	0.5
121.06600	0.8
123.08114	1.1
125.09719	4.9
125.69897	0.6
133.10237	1.2
141.09224	7.6
149.09703	1.2
151.11319	4.3
153.12842	18.6
158.07976	0.6
161.05916	0.6
161.09586	0.5
163.03828	0.6
165.08960	2.1
171.10286	1.2
173.09465	2.6
177.09123	0.7
179.10699	2.7
181.08459	2.0
181.12331	0.8
187.07497	0.7
189.09056	1.3
191.06804	1.4
191.10579	3.1
193.08459	8.9
193.12099	7.3
195.13669	1.1
197.11813	1.8
201.08968	1.6
203.10674	1.3
205.08459	2.8
207.10007	4.5
209.07924	1.0
219.10014	23.4
221.11572	45.4
222.11948	1.4
225.07390	1.2
235.09425	1.9
237.11050	5.2
245.07784	0.9
247.09489	15.5
251.08830	0.6
265.10547	100.0
265.14395	3.1
266.10895	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	265.1193
Annotation	H-Thr-Phe-OH
Peak:m/z	Relative Intensity
55.01867	1.3
59.01380	9.9
61.98836	2.4
71.01379	17.0
71.02494	1.4
71.51461	1.7
72.00907	3.8
73.02973	5.4
73.04070	94.9
79.10075	1.0
83.01390	1.9
85.02944	9.9
87.00866	1.3
89.02435	3.2
89.54794	1.0
91.05544	2.1
91.35149	1.2
95.01403	1.6
96.96010	2.0
99.00866	2.4
101.00669	5.6
101.02448	12.5
103.05576	1.1
106.89302	1.3
113.02448	7.8
118.67029	1.0
119.04993	1.3
120.99657	100.0
122.00024	1.6
122.03690	1.6
127.05217	1.3
134.42693	1.0
137.00711	2.0
144.99637	4.9
147.04520	27.9
151.04053	1.4
159.02948	2.1
161.04576	5.8
164.07164	47.7
165.07503	2.2
176.08424	4.3
177.01926	1.7
177.05746	2.0
177.09172	1.4
177.10504	1.2
178.09848	1.9
179.97835	0.9
191.10785	1.6
221.09314	88.7
222.09657	4.3
248.87392	1.1
265.03952	1.6
265.07474	4.0
265.11908	32.0
265.14401	2.1
266.12198	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	264.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16193	0.4
58.23009	0.3
59.01369	0.5
59.79469	0.3
70.33924	0.8
71.01381	0.4
81.19972	0.3
87.00904	0.3
117.03480	1.2
119.05036	0.9
120.99654	0.4
123.02726	0.3
133.02997	0.3
138.59111	0.3
145.03001	1.1
147.03271	0.6
148.04082	0.6
149.06117	0.4
151.02264	0.9
151.74576	0.3
156.97514	0.3
160.04073	0.4
161.06126	0.6
163.03984	0.4
172.07643	0.4
175.00482	0.4
175.02737	23.0
176.03526	41.8
177.01945	0.7
177.03880	1.7
177.05489	0.6
177.09464	0.6
189.04179	0.3
194.04723	0.3
195.01239	0.4
200.05316	0.7
200.07166	10.6
201.07552	0.8
202.08713	0.8
205.05016	0.4
221.04590	0.5
228.06691	2.7
246.07700	100.0
247.08005	5.3
264.08755	10.1
265.07022	0.5
265.14297	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42741	0.2
59.01374	0.4
61.93240	0.3
65.60693	0.2
70.00731	1.3
85.02938	1.7
87.00854	0.4
96.96017	0.5
98.19964	0.3
101.00656	5.5
111.00895	0.4
120.99656	100.0
121.99966	1.0
129.01930	1.9
135.02707	0.6
139.01942	0.2
143.02016	0.4
143.03513	0.3
144.99666	3.7
162.49951	0.3
168.99992	0.4
177.05865	0.3
179.17233	0.3
265.03864	1.8
266.05035	0.4
269.44962	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96265	0.5
54.26932	0.5
57.03447	3.1
59.01382	5.6
66.87277	0.4
67.01864	0.5
69.03469	1.6
69.57359	2.6
71.01385	0.9
81.03499	0.5
83.05037	2.5
93.03455	0.5
93.07094	0.8
95.05033	9.1
97.06591	32.1
98.06907	0.5
98.20420	1.6
99.08173	0.6
101.45435	0.5
111.08133	0.8
113.09697	3.5
119.08642	0.8
121.10235	21.4
122.10580	0.5
139.07709	2.5
139.11284	0.7
141.05551	1.0
147.08147	6.6
149.09703	0.5
149.68883	0.5
157.08702	12.9
165.12845	5.0
169.08722	3.6
181.08748	1.7
183.10246	1.6
191.14412	0.8
195.10274	1.6
201.16489	2.9
219.10287	0.7
219.17470	4.4
227.14436	0.7
232.16493	0.4
245.15491	3.5
263.16507	100.0
264.16824	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	263.2016
Annotation	KDC 165
Peak:m/z	Relative Intensity
53.96164	0.4
57.74643	0.4
59.01376	2.5
70.01517	2.0
71.01385	1.0
73.21216	0.4
87.61967	0.4
245.19182	0.6
263.20151	100.0
264.17572	0.7
264.20444	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1652
Annotation	12-Oxo-2,3-dinor-10,15-phytodienoic acid
Peak:m/z	Relative Intensity
59.01380	23.9
69.36915	3.5
80.02657	0.7
80.43141	0.4
93.31754	0.5
95.05052	0.6
97.06567	0.7
98.20332	2.1
119.05009	0.7
120.05775	0.7
122.53394	0.5
135.08171	0.6
148.08955	3.0
149.09680	1.6
151.11278	1.8
161.09660	0.8
163.11279	5.8
165.12840	36.6
166.13171	1.8
189.12848	3.1
191.14409	13.1
192.14671	1.0
217.15898	0.7
219.17528	13.1
227.14320	0.9
245.15436	4.7
263.16498	100.0
264.16830	6.6
271.04779	0.5
281.94843	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21030	1.0
54.15279	1.0
55.01871	2.5
59.01374	11.1
61.98803	1.1
63.66171	1.1
69.42717	8.0
71.01383	1.9
71.05019	77.1
72.05344	1.1
73.02914	1.5
77.67638	1.1
83.05022	2.0
85.02929	1.4
97.06594	28.8
98.19943	2.3
101.02438	1.6
107.05013	1.1
109.02335	1.2
111.08211	1.8
111.48447	1.0
123.08158	4.3
135.08170	1.3
135.11775	5.2
147.11806	2.2
149.02411	1.4
153.09225	2.0
165.12851	2.8
179.10764	3.0
183.29063	1.0
191.10744	6.5
191.14464	1.3
201.16461	2.1
204.76262	1.1
206.09442	2.4
207.13896	4.7
219.17526	14.6
245.15453	2.1
263.16498	100.0
263.19775	3.1
264.16833	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	263.1499
Annotation	n-Hexyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.62379	1.1
55.01877	15.7
57.03445	6.5
58.00600	3.7
59.01381	69.8
61.17792	0.9
67.46400	1.0
69.03448	1.5
69.77945	1.0
70.00951	4.1
70.01378	2.0
71.01384	80.6
72.99310	6.5
73.02946	39.3
75.00879	2.1
83.01389	23.5
84.71304	0.9
85.02952	53.1
86.00107	2.7
87.00885	3.7
89.02460	5.5
95.01399	6.1
97.02909	1.6
99.00887	18.1
99.08163	3.8
101.02445	100.0
101.09699	2.6
111.00888	4.1
113.02446	39.2
125.02485	2.1
129.01968	2.8
143.03462	1.5
145.55827	0.9
159.02985	6.7
161.04544	19.0
171.10214	1.3
226.72734	1.0
263.12286	1.3
263.15005	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	263.1651
Annotation	Pallescensolide
Peak:m/z	Relative Intensity
53.55840	2.3
59.01385	11.5
69.03459	11.1
69.12263	2.2
71.01357	4.5
71.54197	1.9
82.20876	2.1
83.05013	2.6
85.02988	2.6
93.03468	2.4
95.05007	2.7
97.06593	20.8
99.08131	3.6
119.08662	3.7
121.10164	4.1
125.06075	15.0
137.09721	60.1
138.10031	3.3
143.07138	100.0
144.07420	3.2
165.12822	5.3
167.86969	2.1
173.97592	2.3
184.50560	2.9
219.17407	3.7
235.16924	4.7
263.13086	3.7
263.16516	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1401
Annotation	Feruloylputrescine
Peak:m/z	Relative Intensity
59.01361	1.3
69.37220	4.9
71.02497	0.6
71.14777	0.8
72.00921	1.8
77.97854	0.5
91.05534	4.2
94.81335	0.6
95.75541	0.6
99.16914	0.5
103.05573	0.9
109.01633	0.7
115.08776	79.5
116.09128	1.6
123.81223	0.5
124.03976	0.5
128.76636	0.5
134.03706	0.7
135.04536	0.9
139.40598	0.5
145.06155	0.6
147.04529	21.6
148.04918	0.9
149.06104	0.7
152.61076	0.6
164.07161	14.1
165.07471	0.8
219.15102	5.1
245.06456	0.7
247.10907	2.9
248.11711	2.9
263.13998	100.0
264.14368	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	263.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55408	1.2
57.03439	2.8
59.01366	1.4
69.03434	1.6
70.01746	1.7
70.02076	6.3
71.01389	1.3
76.83544	1.3
79.05527	5.5
83.05018	1.9
85.02957	1.6
97.06582	4.7
105.07101	26.0
106.04239	4.8
107.05031	2.2
109.06589	13.5
121.06611	4.9
123.08176	6.6
130.33798	1.4
133.79948	1.3
159.08148	10.1
159.11787	4.5
161.09726	5.1
169.09105	1.4
171.08073	1.7
174.42491	1.4
183.11873	1.5
185.09749	1.7
186.10449	5.0
189.12840	5.8
191.14345	6.7
199.11264	3.3
201.12846	78.8
202.13171	3.9
217.08556	1.6
219.13892	7.1
263.12863	100.0
264.13239	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	263.1401
Annotation	Feruloylputrescine
Peak:m/z	Relative Intensity
59.01476	3.2
61.98912	1.1
69.82457	3.2
71.01462	0.7
85.03048	0.7
85.06663	0.9
100.85248	0.7
115.07766	0.7
119.05460	0.7
121.03079	1.1
130.48338	0.6
133.02974	3.4
134.03741	8.5
135.04509	5.2
137.02551	1.7
143.04694	1.3
145.08786	0.9
148.04204	1.1
148.05284	9.3
149.06114	1.5
160.05449	1.3
161.02393	3.2
161.06075	4.6
162.03291	1.3
162.05646	1.1
175.02850	3.1
176.03517	6.8
178.05081	0.9
190.05101	7.4
190.06639	0.8
194.02248	0.8
197.86824	0.7
203.12804	1.6
204.06636	13.3
205.11160	1.9
218.08273	2.1
219.11569	0.8
247.10861	79.0
247.40164	0.7
248.11636	100.0
249.11902	5.6
255.44923	0.7
263.13989	86.4
264.14386	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	263.1288
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
50.09225	1.8
57.03434	3.1
57.87724	1.8
59.01369	3.4
65.13879	1.9
66.70825	1.7
71.01384	4.7
80.02662	2.1
81.03436	3.4
83.05021	5.5
85.02924	3.5
89.55976	2.0
89.96797	1.8
93.03445	2.2
93.07121	2.3
95.05042	6.5
97.02978	15.0
97.06565	2.2
98.93169	1.8
105.07079	2.8
107.05022	3.2
108.05810	8.3
109.02940	9.8
109.06589	3.4
110.95361	2.0
111.04520	16.4
111.08152	4.3
113.06073	8.4
119.08660	5.9
121.06615	4.6
122.03739	14.3
123.08153	9.6
125.06082	20.2
135.08157	3.5
136.05325	20.5
137.06075	4.8
138.06892	23.2
139.07657	37.0
147.08102	2.4
148.05286	12.9
149.06059	6.5
151.07660	81.2
152.04805	6.8
152.08452	50.5
153.09216	13.1
159.11804	4.6
161.09770	10.1
163.07655	16.1
167.07213	3.3
171.08095	2.0
182.01767	2.1
185.09734	3.6
186.10405	2.3
188.08383	5.9
189.09140	7.8
195.22508	2.3
201.12849	32.6
202.13145	2.6
203.10817	28.9
204.11552	72.1
205.11911	3.0
219.13890	100.0
220.14236	6.5
229.01195	2.2
248.00926	2.0
263.12903	14.1
263.16025	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	263.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
67.20644	0.4
69.41165	0.6
69.41569	3.2
71.01376	0.6
75.20148	0.4
78.37376	0.5
83.59790	0.4
96.96043	0.8
97.06582	0.8
120.05852	1.8
121.06640	0.8
146.07343	2.3
148.39584	0.5
149.09666	0.6
151.11307	3.6
157.06595	1.7
158.07355	0.9
159.08180	1.3
160.08974	0.7
161.09720	9.9
169.10132	0.6
171.08031	0.6
171.11765	1.0
173.09702	2.4
187.11307	6.1
189.12854	100.0
190.13148	4.2
191.10573	0.7
191.14407	3.8
199.11311	1.4
201.12852	23.9
202.13167	0.8
206.38538	0.6
217.12309	3.9
219.10193	14.4
219.13895	67.8
220.10323	0.7
220.14186	3.0
263.09021	9.3
263.12875	42.5
264.09265	0.8
264.13306	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	263.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	10.0
59.01381	1.8
71.01366	0.9
71.52581	0.6
71.53035	0.8
79.05517	0.6
85.02941	10.3
101.02419	0.8
103.03997	2.0
109.38441	0.6
111.04453	0.7
113.02451	0.7
121.06593	0.7
122.03779	0.7
123.04482	0.9
124.05251	0.9
125.06084	1.4
135.08171	0.9
136.05272	3.5
141.07104	1.5
143.08675	3.4
148.05287	0.7
151.07626	0.9
152.08435	1.3
155.08711	0.7
157.10210	1.9
159.08138	14.4
160.08449	0.8
161.09657	1.4
162.79880	0.7
163.07590	0.8
170.05757	0.7
171.08180	0.7
175.11269	2.6
181.10184	1.0
183.08165	0.9
183.11745	1.9
185.09737	3.1
186.10384	0.9
189.09195	1.9
199.11261	6.3
201.12863	10.3
203.10760	8.4
204.11533	21.6
204.41583	0.7
205.11952	0.9
219.13887	18.9
227.10770	1.3
243.10196	1.5
245.11780	20.3
245.15535	1.3
246.12044	0.9
263.12851	100.0
264.13287	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	262.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.0
69.34089	8.2
70.02982	1.3
70.69770	1.0
71.01382	8.5
72.00903	1.5
74.02470	4.2
75.00883	1.6
82.02997	2.9
85.02955	1.0
96.00909	6.8
96.04538	2.3
96.96008	6.5
98.02493	1.9
99.00903	1.8
109.01694	100.0
110.02036	1.9
114.01965	3.9
115.00380	15.1
116.05115	1.7
118.06599	1.9
119.05054	1.0
126.22466	0.9
127.02753	2.2
131.05028	4.6
132.04387	1.0
133.04926	1.3
133.06705	1.2
145.02946	3.5
146.06119	44.5
147.04533	13.8
147.08139	1.9
148.07664	1.5
149.06032	1.7
156.08173	4.0
164.07158	4.3
174.09225	3.4
174.47191	1.1
175.07671	1.7
176.03691	1.2
176.07191	3.8
193.20274	1.1
200.07202	8.7
202.05133	2.2
218.08220	30.8
219.08444	2.3
244.06126	34.7
262.02460	1.2
262.07199	29.6
262.10083	2.0
262.11111	1.2
263.05978	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	263.107
Annotation	Dehydrojuncusol
Peak:m/z	Relative Intensity
52.17755	0.7
55.46548	0.5
56.72268	0.6
56.97992	0.6
57.03439	0.7
58.00586	0.7
58.02974	15.5
59.01379	6.2
59.54504	0.7
61.98822	2.6
68.73302	0.8
70.85328	1.8
70.85670	0.8
71.01382	7.8
71.05035	0.7
72.97444	0.6
72.99322	0.9
73.02946	1.5
74.02501	1.0
80.76631	0.6
83.01394	1.0
85.02972	3.7
87.00893	1.0
89.02440	3.6
93.03445	1.3
94.12635	0.7
97.04084	1.1
99.00877	1.1
99.04651	0.7
99.05642	19.2
101.02428	4.1
113.02444	2.9
116.01758	0.9
117.03798	4.5
119.03526	1.4
119.05371	42.4
122.54955	0.8
133.04420	5.8
135.04536	0.8
143.04620	100.0
144.05014	1.1
161.04561	1.3
163.04066	0.8
181.05055	2.4
183.05469	1.0
201.00311	0.7
247.10985	0.8
248.11546	1.1
263.00690	2.2
263.10712	29.3
264.11047	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	13.8
57.03441	9.8
58.00568	3.3
59.01377	68.7
69.73083	7.7
71.01376	100.0
72.99303	6.2
73.02554	2.5
73.02943	38.7
74.02463	1.5
83.01385	19.4
83.01846	2.5
85.02944	53.6
87.00874	5.5
89.02443	14.4
95.01402	7.5
99.00878	14.9
99.08129	5.2
101.02438	82.1
102.02766	1.9
106.94728	1.3
113.02448	36.3
116.24763	1.3
119.03504	7.4
125.02456	2.3
128.49419	1.5
134.67494	1.3
143.03444	2.8
159.02945	5.3
161.04532	15.3
169.12199	1.5
171.10254	13.0
173.02731	1.6
181.12323	2.2
197.11812	4.3
202.55133	1.6
243.12292	9.4
261.04599	1.3
261.13412	26.0
261.16772	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	262.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44705	1.3
57.03445	4.3
58.02965	4.2
59.01388	2.9
59.87623	1.2
61.98831	6.3
67.09633	1.3
69.03454	5.0
69.55501	9.3
69.89857	1.2
70.02979	10.4
71.01371	4.6
72.00912	2.1
72.99287	1.5
74.02462	5.4
75.00895	2.4
82.02989	1.6
84.04535	1.6
85.02950	57.2
86.02470	2.4
86.03316	1.9
86.06111	1.6
87.04501	4.7
87.92513	5.8
94.02997	4.5
96.00917	3.6
96.04552	100.0
96.95994	2.4
97.02970	8.1
97.04886	2.2
98.02474	9.4
98.19895	2.8
98.99039	1.6
99.00874	5.1
103.91991	3.6
110.02485	2.0
112.04055	6.2
113.02432	1.8
114.02015	1.4
114.05595	3.1
115.04012	3.0
116.03537	2.0
117.03928	1.6
126.05566	2.1
128.03535	10.2
129.01942	14.7
129.03868	2.4
131.03780	4.9
131.06935	1.4
132.04469	4.2
133.04918	7.1
136.04021	7.2
138.05618	2.2
140.03577	3.0
141.01933	3.5
142.01459	29.0
144.03041	3.2
145.04887	3.1
145.96797	1.8
150.98978	1.6
151.00241	1.3
157.07848	1.8
158.04590	14.1
158.05923	2.3
158.08041	5.6
159.03018	1.5
159.06430	4.3
172.02507	3.2
176.09106	4.4
177.27452	1.4
199.94133	3.2
200.05626	1.9
200.09007	1.6
202.03487	6.6
204.97571	2.1
208.99213	2.2
219.01369	2.7
219.05046	1.9
220.08009	4.3
232.04863	1.5
248.96353	1.6
262.01266	2.7
262.05649	3.9
262.09082	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	261.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34106	0.6
54.35072	0.7
57.03455	1.2
58.00592	4.3
59.01379	100.0
60.01709	0.9
70.02979	0.7
71.01380	54.2
71.02865	0.9
72.99298	3.8
73.02933	1.5
74.02460	6.6
74.45687	0.6
80.53887	0.6
83.01396	1.7
85.02951	10.0
87.00873	1.5
89.02444	60.4
95.01373	4.5
96.95985	0.6
98.02504	2.6
99.00905	1.2
101.02440	21.4
101.03106	1.1
106.64264	0.6
113.02447	18.5
114.57809	0.7
116.03540	3.9
119.03494	15.8
125.09747	1.4
127.11316	2.5
128.03578	1.0
131.03508	1.6
132.04593	3.0
139.11348	1.1
144.04567	0.9
145.02975	1.1
145.80266	0.6
149.04585	0.9
165.09360	0.7
172.02400	0.8
175.08821	0.8
181.12354	1.4
185.82899	0.7
191.88345	0.6
199.09875	1.0
199.13414	3.5
201.06702	0.9
201.11310	24.2
207.10324	2.2
211.55370	0.6
217.14546	1.4
219.07915	0.7
222.18770	0.6
224.71399	0.6
225.11299	6.4
238.26826	0.6
243.12331	6.1
261.08878	2.5
261.13400	17.4
262.13739	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	14.3
57.03444	8.6
58.00588	2.7
59.01379	76.5
70.00514	4.8
71.01383	100.0
72.99304	5.8
73.02943	31.6
75.00879	3.0
83.01388	21.6
84.02160	1.2
85.02950	49.7
85.03469	2.4
86.03329	1.2
87.00882	3.3
89.02450	13.9
95.01384	5.6
97.02979	1.7
98.19953	1.7
99.00897	14.0
99.08150	8.2
101.02444	83.5
107.07004	1.4
111.00866	1.9
113.02456	40.6
119.03505	5.7
125.02429	2.2
129.01935	1.4
130.74675	1.4
143.03493	1.8
159.02998	5.4
161.04567	13.7
171.10272	14.9
173.02733	4.1
181.12366	3.6
197.11761	7.1
201.11325	2.4
204.04803	1.2
233.33376	1.4
242.35873	1.3
243.12337	15.6
259.15384	1.7
261.04214	1.4
261.13409	35.0
261.16971	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	261.1131
Annotation	Lagopodin B
Peak:m/z	Relative Intensity
50.42520	1.1
59.01363	1.6
61.98821	1.8
64.21214	1.0
64.32161	0.9
71.01355	2.0
71.53711	0.9
71.54182	1.2
75.62432	0.9
79.36568	1.0
113.70184	1.1
114.98015	0.9
116.92891	1.3
117.03535	1.3
121.02941	1.4
122.91428	1.0
125.09734	1.2
133.02039	1.9
133.02960	18.2
134.03751	7.8
135.04527	96.1
136.04869	2.8
137.02425	5.1
139.03970	1.1
148.05328	1.3
161.02431	24.5
179.03500	49.9
180.03835	1.1
187.09729	1.4
197.90265	3.8
261.11304	100.0
261.22116	4.8
262.11719	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	261.0878
Annotation	(+)-Neothramycin B
Peak:m/z	Relative Intensity
50.25867	1.0
53.04661	1.1
55.43932	1.0
58.02974	26.2
59.01383	5.9
66.45049	1.0
67.44637	1.1
70.02979	2.5
71.01382	8.7
71.05013	1.4
74.02473	28.2
79.45816	1.1
82.02958	1.3
84.04540	10.1
84.40618	1.2
86.02483	1.9
88.24210	1.0
92.05064	11.3
98.02473	15.8
99.04492	6.6
110.02454	3.6
113.02438	1.8
115.04046	1.9
116.03525	16.0
116.05053	1.7
117.05588	3.8
118.02999	2.4
118.06599	1.6
120.04543	1.4
128.03529	31.9
130.06635	5.2
130.08745	2.7
131.03767	61.5
132.04568	50.8
134.06136	1.2
140.05014	4.2
143.31657	1.1
144.04550	16.4
146.06099	4.9
147.05653	1.2
157.07706	28.0
158.06097	36.0
159.06473	2.5
175.08762	30.9
189.06674	2.7
199.08746	7.4
201.06630	7.6
217.09822	9.2
219.07730	33.8
243.07719	4.1
261.08789	100.0
261.12808	6.9
261.22232	2.2
262.09174	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	261.0879
Annotation	(+)-Neothramycin B
Peak:m/z	Relative Intensity
57.03419	2.4
58.02973	31.8
59.01383	5.2
69.03465	2.0
70.02969	6.3
71.01390	8.4
71.50948	2.5
72.93317	1.4
72.99303	5.4
74.02469	44.9
78.95906	1.9
84.04549	16.5
85.02945	16.7
86.02460	4.8
86.06126	1.8
87.04472	2.0
87.92542	1.7
88.04064	1.9
92.05057	9.5
93.03432	3.2
96.04556	32.2
97.02929	2.1
98.02475	23.9
99.00896	3.7
103.92037	3.9
104.33548	1.6
104.92799	1.8
110.02499	5.1
112.04062	2.8
112.98863	1.7
113.03595	3.2
115.00391	8.8
115.05149	1.9
116.03533	21.8
116.05079	1.9
118.02974	3.0
118.06590	2.7
119.05035	5.6
120.04515	2.7
126.04341	8.5
128.03545	39.0
129.01920	4.9
130.06627	5.0
131.03769	64.7
132.04556	68.9
133.01430	12.5
133.04900	2.4
135.04520	3.5
140.05052	6.0
142.01440	8.6
144.04539	21.1
145.96620	1.7
146.06076	5.3
146.89856	4.3
148.07651	1.8
157.07710	38.7
157.09015	2.0
158.04733	3.2
158.06107	39.1
160.04036	2.7
163.03935	3.5
170.96901	2.3
175.08754	32.0
176.09067	1.7
181.05034	9.2
189.06702	3.3
199.00673	2.4
199.08781	6.4
201.06718	10.6
217.09818	10.4
219.05789	3.0
219.07751	37.2
220.07932	1.5
243.07831	5.2
261.00760	12.5
261.08807	100.0
262.05716	2.6
262.09033	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	259.1299
Annotation	CHEBI:73506
Peak:m/z	Relative Intensity
59.01374	2.1
61.01932	0.6
66.03486	0.7
69.01645	0.7
71.01379	1.7
71.24574	0.9
73.02953	0.8
78.95902	8.7
82.02987	6.6
82.06609	1.2
84.04540	2.2
88.04031	2.2
89.04377	0.8
96.30583	0.6
96.96008	3.0
96.96959	4.0
100.04044	2.3
101.07215	2.0
102.05605	1.2
110.02451	0.7
112.04038	2.7
114.09253	1.4
127.05125	3.5
128.03529	13.2
129.10339	1.5
130.08737	100.0
131.09082	2.4
141.09346	0.9
141.10336	3.9
154.12332	1.5
157.13531	0.7
168.09065	0.7
169.09904	0.8
169.13428	0.9
171.15031	6.0
180.10339	3.3
183.16534	0.7
186.99261	1.6
187.04192	0.7
187.10884	1.0
197.12953	21.8
198.11353	0.8
198.13287	1.0
209.51450	0.6
215.08289	0.8
215.14014	2.6
241.11928	43.3
242.12248	2.2
251.97784	0.7
259.01886	2.1
259.07690	0.7
259.12958	22.7
259.15448	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	261.0074
Annotation	Tichocarpol A
Peak:m/z	Relative Intensity
53.20356	0.6
54.62277	0.5
58.02969	1.7
59.01360	1.4
61.98797	0.8
70.03002	0.6
70.53618	1.4
70.53954	0.6
72.99306	17.5
74.02458	4.5
75.00877	2.8
78.95900	0.8
79.95737	8.0
80.96525	2.1
81.03476	1.7
83.05026	1.0
85.02953	0.6
87.92564	0.8
88.77446	0.5
93.03456	24.3
96.96001	3.4
98.02477	1.8
103.91992	0.9
107.05044	1.8
109.01702	0.7
112.04076	0.8
116.03516	1.9
119.05025	52.1
120.05405	1.2
121.02887	0.8
126.04353	2.5
128.03534	1.3
130.06598	0.7
131.03775	3.2
132.04543	3.4
134.03716	1.8
135.04529	32.6
136.04842	1.1
137.06055	1.2
144.04565	1.9
157.07724	2.2
158.06071	1.8
162.97935	0.5
163.04007	38.7
164.04347	1.0
175.08800	1.9
177.04459	0.6
181.05061	91.0
182.05389	2.1
197.90230	0.9
199.00694	16.3
200.07210	0.6
215.00174	8.4
217.09720	1.3
219.07610	1.1
242.89558	0.6
261.00720	100.0
261.08600	5.0
261.13409	2.1
261.22186	1.4
262.01160	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	259.0225
Annotation	D-Myoinositol 4-phosphate
Peak:m/z	Relative Intensity
59.01383	0.1
61.21777	0.1
62.96399	0.2
70.12286	0.3
71.01373	0.2
71.83258	0.1
77.41743	0.1
78.95904	100.0
80.03202	0.1
85.02943	0.1
87.05653	0.2
90.02390	0.1
94.98607	0.1
95.58485	0.1
96.96961	47.2
100.29122	0.1
101.02450	0.3
115.00362	0.1
136.95007	0.1
138.98027	5.2
150.97993	0.2
168.99010	0.9
171.00612	0.2
171.99966	0.1
178.96043	0.8
187.00964	0.2
196.92625	0.2
198.90648	0.8
199.00140	1.0
213.05074	0.2
214.93622	0.4
216.90613	5.3
217.90736	0.3
223.00235	0.2
234.91742	0.3
240.91588	0.7
241.01183	5.1
242.01663	0.1
258.91763	2.1
259.02222	23.2
260.02545	0.5
276.88440	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	259.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	5.5
63.99884	1.1
69.79263	6.4
71.01404	1.3
73.02962	1.1
75.00878	3.8
78.95879	2.8
79.95689	1.3
85.64790	1.1
89.02337	1.1
94.80371	1.1
98.20564	1.3
125.09672	2.7
127.11325	2.5
127.49141	1.1
137.09721	1.6
153.12874	1.7
155.10762	5.9
167.53175	1.3
169.12335	8.9
171.10274	74.4
172.10599	2.6
179.10760	1.6
197.11826	83.7
198.12152	4.2
199.09732	2.5
213.11261	7.5
215.12866	100.0
216.13196	3.8
217.10863	5.8
241.10800	2.8
259.11890	13.4
259.15378	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	259.0223
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.1
59.01373	2.4
61.98831	5.5
69.86803	4.5
71.01381	5.1
72.99310	2.3
76.35059	0.8
78.95905	100.0
82.02999	2.1
84.04587	1.5
85.02950	3.0
87.00862	1.3
96.96047	4.6
96.96963	42.6
99.00882	8.2
99.55098	0.9
102.05625	1.2
103.01094	1.1
111.00883	4.3
112.04082	1.1
112.98806	4.4
115.00375	2.9
127.05132	2.0
128.03528	11.7
129.01949	3.3
129.10336	1.4
129.30280	0.8
130.08746	47.6
131.03520	1.1
131.09087	1.1
133.01430	4.2
138.97099	1.0
138.98027	5.6
141.10376	1.6
144.89786	0.9
154.68227	0.9
167.08350	1.2
168.99095	1.1
169.01375	1.0
171.15057	3.8
172.99451	3.9
197.12964	9.6
198.98817	2.2
215.13963	2.1
241.01337	4.9
241.11948	18.5
259.02283	20.2
259.07474	1.4
259.12930	13.3
259.15506	1.5
260.02737	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	258.1458
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
50.62333	0.6
58.02972	5.4
59.01388	1.2
61.98817	1.3
64.85721	0.7
70.02988	7.2
70.54028	2.0
70.54362	0.6
71.01381	1.2
73.04043	1.3
74.02475	13.6
78.95908	9.2
81.04527	0.7
82.02970	3.3
82.06620	0.9
84.04527	0.8
85.02950	0.9
87.05628	3.9
88.04044	17.3
96.96028	3.6
96.96949	5.0
97.86196	0.7
98.02483	4.7
99.05682	0.8
101.07206	4.3
102.05611	0.7
110.02471	2.0
114.05607	1.1
114.09232	1.3
114.12542	0.7
127.05129	3.3
128.03539	4.5
129.01926	0.7
129.10347	1.8
130.08740	76.8
131.09096	1.6
131.29300	0.7
139.08742	0.7
140.07140	0.8
141.10345	5.0
143.11899	11.5
150.27473	0.6
153.10269	1.8
155.11902	3.4
157.13458	1.2
169.09801	4.6
171.14969	1.5
183.11365	3.1
196.14546	8.2
197.12939	12.0
214.15590	9.4
214.19260	1.3
215.10542	0.8
222.12637	0.7
241.11894	8.6
258.14554	100.0
259.01694	3.1
259.12476	3.7
259.15387	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	258.044
Annotation	Unknow
Peak:m/z	Relative Intensity
61.97042	0.3
63.96218	0.5
69.25533	1.6
69.25945	0.6
77.96533	0.3
78.97321	3.8
78.97770	0.3
79.98113	3.2
93.96046	0.3
98.99306	0.2
106.06629	8.1
107.05042	0.4
107.06988	0.3
136.07715	0.3
137.06082	0.6
137.07938	0.3
137.09947	0.2
155.01735	0.6
158.41443	0.3
170.02817	100.0
171.03178	3.3
191.05614	0.5
212.03877	0.5
258.04416	28.1
259.04749	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	258.044
Annotation	Ro 5-3335
Peak:m/z	Relative Intensity
52.48658	0.2
61.97055	0.8
63.96244	0.9
65.06644	0.2
67.19220	0.2
67.64577	0.2
70.82835	0.3
70.83161	0.3
76.11455	0.2
77.96557	0.4
78.97310	1.9
79.98116	3.5
88.04029	0.3
93.96049	0.3
106.06625	22.8
107.05032	0.5
107.06963	0.6
109.89599	0.2
122.06140	0.4
154.21489	0.2
155.01770	1.1
170.02812	100.0
171.03134	2.4
197.44566	0.2
212.03888	0.8
214.65186	0.2
258.04398	28.7
259.04718	1.1
259.15558	0.5
266.79849	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95502	0.8
55.01873	1.5
57.03451	9.5
59.01378	1.1
60.87306	0.9
69.03452	3.7
69.72440	1.0
70.61809	1.9
70.62145	1.4
71.01383	1.7
71.05017	18.9
73.02926	1.0
80.02696	0.9
83.05009	3.1
84.72715	0.9
85.68673	0.9
88.18002	0.8
88.48296	0.9
92.02352	1.0
95.05032	2.5
97.02942	2.7
97.06581	15.4
99.00874	17.8
102.96824	0.9
109.06590	2.7
110.03701	1.2
110.68383	0.9
123.08156	11.2
125.09724	100.0
126.10052	3.1
128.61719	0.8
133.29288	0.9
142.02710	1.6
153.09187	5.2
153.12848	2.4
160.14978	0.9
163.11279	22.7
172.04024	1.3
174.39235	1.0
179.10751	3.4
181.12332	54.2
182.12691	2.5
207.10255	37.3
207.12207	1.9
208.10631	1.2
212.83920	1.0
213.14989	2.1
225.11311	69.6
226.11671	3.5
239.12811	3.2
257.13928	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	5.7
57.58122	1.1
58.00596	1.9
59.01378	35.9
59.43190	0.9
62.42775	1.2
64.35135	1.2
67.25126	1.0
69.03463	2.4
71.01007	1.9
71.01384	31.6
71.05018	17.0
73.02944	27.4
81.03447	2.7
83.05039	6.5
85.02941	2.0
85.06583	1.7
87.04514	2.3
96.39300	1.1
97.02943	10.1
98.20645	3.3
99.04528	5.9
101.06082	26.1
107.72884	1.2
115.03998	8.7
117.27328	1.1
121.10213	2.6
127.04031	2.2
137.09715	3.0
145.05063	30.7
175.14914	2.1
181.12262	1.6
191.14412	1.9
209.15601	1.0
219.13866	2.1
237.14954	19.2
238.15364	1.5
253.14462	2.2
255.16017	100.0
255.23283	69.0
256.16428	5.0
256.23630	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	256.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03764	0.5
74.02482	0.8
76.39606	0.4
81.04588	0.5
93.03452	0.5
95.77216	0.4
110.07253	6.9
112.11567	0.4
119.05026	100.0
120.05379	3.1
127.16172	0.4
136.05159	11.0
255.23303	3.9
256.10974	1.1
256.21075	0.5
256.23615	12.1
256.26334	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.1
61.98825	0.6
69.59194	1.8
70.00067	0.3
71.01378	7.5
72.99339	0.6
73.02946	8.4
74.99368	1.4
79.57742	0.3
89.00954	1.1
96.51133	0.3
98.02502	0.9
99.00886	0.5
99.41850	0.2
101.00958	0.3
101.52917	0.3
101.69329	0.2
103.02510	0.5
110.02471	0.5
110.99401	0.7
112.86993	0.3
113.00956	4.6
114.05608	1.9
115.00414	0.3
115.02526	0.8
115.05937	0.4
117.00463	8.8
117.01929	10.5
118.00544	0.5
123.97497	0.3
125.03542	0.3
126.98857	0.3
127.97598	0.4
128.03517	0.3
129.00444	5.4
131.02005	66.5
131.99153	0.5
132.02092	3.6
136.99635	0.3
141.00473	0.3
141.04066	0.6
143.12004	0.3
145.03589	2.2
152.02287	0.9
156.99922	100.0
158.00049	6.0
158.99683	0.5
167.02029	0.5
167.04625	3.7
169.03499	1.3
171.01535	0.3
182.97823	0.4
185.03027	2.5
187.04604	6.0
188.04942	0.4
195.01523	0.5
196.99483	0.7
197.05652	0.5
199.00990	0.4
213.02469	0.4
215.00404	1.5
229.02060	0.5
239.00450	1.0
250.04002	0.3
256.23672	1.1
257.01495	6.7
257.07440	1.2
257.23856	0.5
258.01733	0.4
258.14670	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	5.9
58.00587	3.2
59.01379	38.1
69.03448	2.0
71.01382	34.9
71.05017	18.0
71.22190	1.8
73.02946	30.5
73.06596	1.2
81.03450	1.9
83.05027	8.2
85.02946	1.8
85.06584	2.1
87.04507	2.3
87.06393	0.9
89.01543	0.9
89.35379	0.9
93.03495	1.1
95.04991	1.0
97.02953	10.3
99.04503	4.7
101.06087	25.2
115.04019	9.8
115.07591	1.3
117.90650	0.8
121.10227	3.2
123.08150	1.4
124.51550	0.9
127.04018	3.1
129.05533	0.9
137.09714	3.1
145.05061	35.5
165.12796	1.5
175.14864	2.9
191.14357	1.4
193.15959	2.2
219.13992	2.1
222.68721	0.9
237.14928	23.4
237.17178	1.3
238.15317	1.3
253.14333	1.5
255.16011	100.0
255.23279	51.2
256.16348	5.8
256.23688	3.0
279.35727	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	255.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89870	1.2
57.03429	2.4
58.32535	1.0
59.01366	4.2
65.00317	1.3
67.01884	1.9
69.03443	3.3
69.21458	11.4
69.50578	1.3
71.01385	1.5
81.03462	1.5
83.01384	39.5
83.05014	4.9
84.82177	1.2
85.02920	1.8
87.04509	3.9
97.06593	1.4
100.48386	1.2
109.02988	1.3
125.09731	2.6
148.31676	1.0
149.09746	1.2
151.00340	2.5
153.09386	1.4
165.12791	2.0
167.10757	6.3
167.14435	1.9
171.10258	29.4
175.11252	3.3
183.13857	1.8
193.12328	44.6
194.12666	2.0
211.13368	58.3
212.13678	2.7
237.14841	2.4
255.06651	11.8
255.12358	37.2
255.15961	13.1
255.23262	100.0
256.06876	1.5
256.12665	1.3
256.23645	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	255.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01829	1.5
58.90164	1.5
59.01376	3.6
62.05628	1.6
62.05995	1.5
67.01904	2.7
69.03459	4.5
69.59538	9.5
81.03465	1.6
83.01389	51.1
83.05030	8.3
95.04998	1.6
107.31879	1.5
125.09723	5.0
126.50037	1.6
127.11330	1.9
151.11325	2.1
165.12846	2.5
167.14418	3.4
169.12286	2.1
171.10274	34.1
175.11304	4.6
183.13913	4.4
193.12328	63.4
194.12715	3.3
211.13385	100.0
212.13760	5.9
213.92197	1.4
237.11296	2.2
255.12372	36.6
255.15279	1.8
255.16194	1.8
255.23294	36.0
256.12741	1.7
256.23608	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	254.0153
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85124	1.7
59.01374	4.0
61.98832	100.0
67.00473	1.8
71.01399	2.1
71.52454	2.2
72.99284	2.2
77.62199	1.6
83.83341	1.6
89.02445	2.1
112.98941	1.6
131.83490	1.8
146.08076	1.6
151.50648	1.8
159.01434	2.4
168.10353	1.7
180.06685	2.4
193.93890	2.3
254.04970	1.6
255.23270	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	255.0887
Annotation	N-Acetoxy-IQ
Peak:m/z	Relative Intensity
64.18240	0.3
69.71882	0.7
69.72269	0.7
77.27485	0.3
89.48778	0.3
95.09210	0.3
98.58801	0.3
144.08203	0.8
169.06378	0.4
184.08798	0.9
185.07121	0.4
196.07553	0.8
197.05933	6.5
211.09857	0.6
212.08299	7.0
213.08531	0.5
229.04883	0.8
240.06520	15.6
241.06924	0.7
255.08858	100.0
255.23276	4.5
256.09149	4.9
272.05444	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	255.1139
Annotation	3-Isopropyl-4-methyl-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline-1,9(4H)-dione
Peak:m/z	Relative Intensity
57.03446	0.4
59.01374	0.9
59.08110	0.3
65.03956	0.6
67.01892	0.4
69.16865	3.8
69.17272	0.7
72.39222	0.4
73.99996	0.4
83.05026	0.7
87.95605	0.4
92.05064	0.5
95.05013	1.3
98.20648	1.0
108.04558	0.9
115.04004	1.1
120.04599	1.0
122.06139	1.2
132.04556	0.8
134.06125	6.5
134.48743	0.4
144.07043	0.5
145.05318	1.4
146.06151	0.6
159.05652	2.8
160.06308	0.8
162.05627	0.6
165.56258	0.5
182.06100	3.4
196.07672	2.2
197.08409	1.4
210.09126	0.6
211.08817	0.5
211.13416	1.2
212.10814	9.3
225.06628	1.4
226.07497	5.4
228.10294	1.0
237.14978	0.7
239.08253	6.6
240.09039	13.8
241.09299	0.6
255.11383	100.0
255.15948	4.6
255.23270	29.8
255.27252	0.7
256.11743	6.4
256.23627	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09679	0.3
59.01382	6.9
70.86730	0.8
71.01392	2.0
78.95906	100.0
85.02955	0.8
89.02450	1.7
90.40980	0.3
96.96963	17.5
101.02457	2.0
113.02454	0.9
119.03488	0.5
121.02944	0.6
125.38847	0.3
136.00380	0.3
151.04013	0.5
152.99579	3.3
161.04582	1.0
171.00639	44.8
172.00932	0.6
175.23062	0.4
179.04742	3.0
202.17894	0.3
253.08496	22.5
253.21625	0.5
254.08878	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2172
Annotation	Sapienic acid
Peak:m/z	Relative Intensity
55.34035	14.6
59.01376	21.2
69.81014	50.1
69.81425	41.6
87.67006	16.7
91.98717	15.6
98.19894	18.1
105.12514	18.0
116.76970	14.9
121.33270	19.0
196.02814	16.4
209.94214	18.3
253.21732	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14292	2.2
53.62197	2.2
59.01370	2.9
61.98831	100.0
63.96294	2.0
71.52726	3.5
73.02954	4.9
74.33833	2.0
79.91772	2.5
90.80188	2.3
92.67043	2.0
100.81023	2.3
114.81784	2.0
117.01957	6.3
127.10730	2.2
156.99861	2.6
167.03743	2.3
172.56343	2.2
180.06633	5.2
200.04221	6.7
228.66551	2.2
254.05208	12.6
254.09503	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	251.2016
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
51.54264	0.5
59.01358	1.1
62.86653	0.6
69.47153	3.4
69.47555	1.0
84.50288	0.6
103.80648	0.5
108.29433	0.7
121.70091	0.5
135.25671	0.6
147.99763	0.7
183.76352	0.8
233.19153	0.8
251.20151	100.0
252.20503	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	252.0733
Annotation	Neopterin
Peak:m/z	Relative Intensity
51.15803	0.3
53.64775	0.3
59.01384	4.6
70.54616	0.6
70.54945	0.5
71.01383	0.7
79.95737	100.0
80.95645	0.3
80.96521	0.8
83.01392	0.3
89.02433	0.8
91.46072	0.3
98.20604	0.3
101.02424	1.1
110.63015	0.3
112.60609	0.3
113.02486	0.4
113.38332	0.3
114.23734	0.3
118.96624	0.3
126.12901	0.4
130.80524	0.3
141.48254	0.2
143.57852	0.4
160.11691	0.4
161.04605	0.5
188.11142	7.9
189.11415	0.5
193.07158	0.8
203.68092	0.3
233.94025	0.3
252.07323	39.9
253.07504	1.3
253.14407	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1037
Annotation	H-Ser-Phe-OH
Peak:m/z	Relative Intensity
59.01374	0.9
61.98824	0.8
69.95065	2.6
71.01371	1.7
71.02504	2.1
72.00913	2.4
73.04069	100.0
85.02957	1.4
87.00906	1.2
91.05553	1.3
96.95993	1.1
101.02450	1.6
102.02870	0.5
102.32244	0.5
103.05116	4.5
103.58347	0.5
119.05004	0.9
120.99659	2.5
129.01935	1.0
129.05656	0.9
137.79008	0.6
147.04521	16.5
149.05949	0.6
160.07527	0.6
161.04585	0.5
163.04372	4.7
164.07161	26.0
165.07556	1.2
175.08722	0.8
177.10345	1.4
188.38255	0.6
189.10332	0.7
221.09303	56.9
222.09625	2.1
233.09305	1.6
251.05936	4.1
251.10353	49.1
252.10689	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	251.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	9.4
57.03445	6.5
58.00592	3.4
59.01380	76.0
59.56430	1.3
60.99306	2.8
61.98822	7.4
70.53835	4.1
71.01382	99.7
72.00919	7.2
72.99310	4.5
73.02946	34.6
73.04071	2.0
74.02487	9.1
75.00866	1.6
78.26251	1.6
78.95901	2.2
83.01393	16.7
85.02951	100.0
85.04057	11.9
86.02471	3.4
86.03297	3.1
87.00893	5.6
87.04506	2.0
89.02451	22.4
91.05506	3.4
95.01388	8.1
97.02972	2.6
97.04070	6.9
99.00893	12.7
101.02446	83.7
103.05131	3.4
111.02014	4.8
113.02451	39.3
119.03510	5.6
120.99657	33.1
121.06595	1.5
125.02455	2.1
129.01950	75.8
130.02255	2.3
147.04530	17.3
149.87141	1.5
159.02957	8.4
161.04564	35.3
164.07162	40.0
171.21950	1.5
172.07620	2.8
189.10341	3.1
221.09294	34.1
233.09218	2.7
251.02345	5.0
251.10318	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	249.1858
Annotation	roughanic acid
Peak:m/z	Relative Intensity
51.19242	0.3
59.01384	4.5
65.97588	0.3
66.74934	0.4
69.22892	3.0
69.69561	0.3
71.01392	0.5
71.57235	0.3
73.55436	0.3
83.05019	0.7
84.69769	0.3
98.20438	1.3
137.87204	0.3
177.16489	0.4
205.19606	1.4
231.17548	1.7
247.16919	0.5
249.18579	100.0
250.14574	0.8
250.18938	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	249.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.8
59.03426	0.3
59.50231	0.3
61.98822	0.7
71.01382	0.4
79.95734	0.3
83.05026	1.1
98.78508	0.3
111.61524	0.3
132.02765	0.4
135.04488	0.4
177.16473	0.5
205.12360	0.4
205.15977	0.5
205.19580	2.0
229.03357	0.3
231.17471	1.7
247.17020	0.7
249.00473	0.3
249.15024	3.4
249.18584	100.0
250.14606	2.8
250.18901	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	249.1859
Annotation	Methyl farnesoate
Peak:m/z	Relative Intensity
51.38677	0.6
59.01378	3.9
69.49652	5.1
98.20632	1.2
99.04791	0.7
205.19537	2.2
231.17308	1.4
249.18575	100.0
250.18927	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	249.1495
Annotation	7-Isobutyryloxythymol methyl ether
Peak:m/z	Relative Intensity
51.46504	0.5
57.03463	1.0
65.03935	0.5
68.99571	0.6
69.71877	3.1
81.07111	0.6
83.05029	1.9
85.02944	0.6
88.89993	0.5
97.06590	2.3
112.98586	1.4
119.08644	0.6
121.06619	0.8
129.02710	0.5
130.22391	0.5
137.09711	1.9
154.97408	1.4
171.11795	0.8
187.14920	16.5
188.15262	0.9
205.12337	0.8
205.15967	0.8
244.27318	0.5
248.97240	2.0
249.14951	100.0
250.15160	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	249.1496
Annotation	Sch 601254
Peak:m/z	Relative Intensity
50.32079	1.6
59.01389	10.8
61.98832	5.0
69.03458	41.1
71.08176	3.6
74.03896	1.5
83.05050	4.0
90.63193	1.6
95.05029	3.9
97.06606	3.5
111.08147	1.8
116.34960	1.6
124.06601	1.5
135.04552	3.2
149.13380	4.6
151.11223	2.6
161.13390	3.3
165.52440	1.6
167.10780	2.5
187.14926	6.5
190.60500	1.6
193.12358	10.3
205.01402	2.0
205.12277	7.9
205.15987	10.5
221.15480	22.1
231.13901	39.4
232.01765	1.7
232.14244	3.3
232.71301	1.5
248.58131	2.0
249.07872	2.4
249.14961	100.0
249.18646	6.3
250.14516	22.0
267.21597	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	247.1702
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
52.43719	0.1
63.61515	0.1
69.81322	0.1
75.03918	0.1
75.70628	0.1
98.19887	0.4
132.78038	0.1
184.00180	0.8
196.33560	0.1
205.15999	0.2
220.16957	0.3
231.13899	0.9
247.17018	100.0
248.07961	0.5
248.17354	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	247.1338
Annotation	Enokipodin A
Peak:m/z	Relative Intensity
55.13977	0.5
59.01353	0.7
68.54106	0.6
79.95734	2.0
107.77565	0.7
113.29107	0.5
117.03462	30.6
118.04299	0.6
119.05029	21.1
120.05372	0.7
121.02952	14.2
123.04501	4.3
132.05661	0.6
133.02936	2.5
134.03804	0.9
145.02950	55.8
146.03314	1.8
147.04500	0.8
162.03256	1.9
163.03996	9.3
184.00160	8.3
220.14713	0.6
238.05504	0.6
246.98926	0.9
247.13379	100.0
247.16924	3.8
247.20563	2.5
248.07983	7.7
248.13728	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	246.077
Annotation	N-(4-Coumaroyl)-L-homoserine lactone
Peak:m/z	Relative Intensity
54.42264	0.3
58.02980	0.5
60.23454	0.4
63.96278	0.4
69.71863	2.2
70.02979	0.4
71.01385	0.7
74.02480	1.0
75.02849	0.4
79.95739	0.5
93.44617	0.4
96.00954	0.6
109.01704	2.4
111.08229	0.5
114.09275	0.6
116.05051	0.5
120.04555	1.2
130.08733	8.1
138.09242	3.1
140.10825	0.9
142.08728	1.0
144.80386	0.4
147.03273	2.6
148.04027	1.4
158.02451	0.9
160.04042	1.1
166.08714	0.8
172.07668	0.5
174.05553	0.7
175.02744	46.9
176.03523	76.5
177.03870	2.6
184.09650	0.5
190.05055	0.5
198.05550	0.4
200.07170	14.7
201.07556	0.6
202.05005	0.4
204.08701	1.0
210.07689	2.9
228.06691	3.8
228.08803	0.6
246.07695	100.0
247.08017	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	245.1394
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
50.73467	0.8
57.03442	3.0
64.08402	0.7
69.49412	5.0
70.80516	0.8
71.05007	1.2
83.05021	1.5
85.36436	0.8
97.06605	1.2
111.08142	2.5
155.14395	2.9
165.12851	19.8
166.13171	1.4
167.37643	0.7
181.12328	1.3
183.13925	19.9
184.14261	1.4
199.13388	1.6
201.14969	12.1
209.11826	18.6
210.12164	1.0
225.11263	1.4
227.12888	52.6
228.13234	2.4
243.12367	1.1
245.13934	100.0
246.14224	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	245.1757
Annotation	CHEBI:79279
Peak:m/z	Relative Intensity
50.05039	0.6
56.20461	0.7
59.01365	1.1
61.98829	4.1
71.08356	1.4
77.44267	0.7
110.95364	0.6
125.02462	0.7
141.16545	0.6
181.12297	4.7
213.15005	1.0
244.55177	0.7
245.17555	100.0
246.07814	1.0
246.17792	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	246.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16439	0.5
63.51845	0.6
69.21199	0.6
70.83987	1.4
70.84348	0.6
72.99304	0.9
74.02481	1.2
76.99363	0.6
82.02982	57.4
83.03365	0.8
89.02465	0.7
94.02982	27.6
94.61069	0.6
96.04549	1.3
109.01696	4.1
110.06190	0.7
112.75298	0.6
119.05016	2.1
124.04041	80.6
124.42413	0.7
125.04371	1.8
126.03843	2.2
130.08733	5.2
130.88019	0.6
136.04039	100.0
137.04434	2.9
140.10818	1.2
149.30800	0.5
162.05626	1.9
166.08704	1.7
170.02809	28.9
184.09634	0.9
210.07750	4.3
222.12259	0.6
228.08894	1.5
244.12383	0.6
246.04408	7.8
246.07312	1.1
246.09761	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	245.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	32.8
60.48274	0.5
69.38535	1.7
69.38958	2.9
71.01390	0.6
73.42880	0.5
78.26331	0.6
78.74179	0.6
79.88145	0.6
96.82126	0.6
98.20676	1.0
116.05053	0.5
122.51655	0.6
127.56281	0.7
137.05545	0.5
139.11299	0.6
141.12866	1.3
165.12840	4.9
166.05038	0.8
167.10707	1.0
183.13890	32.0
184.14325	1.7
185.11821	100.0
186.12166	4.9
200.49660	0.6
201.13907	0.8
203.08241	0.7
227.12863	10.9
245.04515	1.3
245.13913	62.3
246.14285	2.4
267.65115	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72437	1.3
51.01122	1.3
58.00600	8.4
58.02978	8.3
59.01379	45.9
70.02988	7.2
71.01379	10.6
71.05008	2.9
71.54537	1.7
72.00921	1.6
73.02949	7.0
74.02477	40.8
78.95916	2.9
83.05028	4.9
85.02940	1.9
95.05041	8.5
97.02948	1.5
98.02484	21.2
102.05616	2.0
103.05962	2.1
109.06573	2.1
111.03259	12.3
111.08173	20.4
113.06090	20.6
115.04012	77.6
116.03571	9.1
116.04353	2.5
116.05086	13.9
125.09774	2.3
127.07646	2.6
127.11308	3.0
129.05666	1.4
130.06625	1.5
142.06635	3.6
145.05063	11.4
147.04494	1.4
147.11803	2.6
152.99632	3.0
157.05019	2.0
159.09277	2.6
163.11374	1.3
165.12830	8.4
171.00624	1.4
183.13855	2.2
184.07680	11.8
185.11804	1.5
201.11395	28.9
202.08687	6.1
203.08249	33.9
209.11818	34.7
210.11919	1.6
227.10751	1.8
227.12912	29.2
233.21849	1.2
245.04405	3.7
245.09508	27.1
245.13933	100.0
246.07639	2.3
246.14285	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	245.1181
Annotation	Lagopodin A
Peak:m/z	Relative Intensity
59.01389	2.9
61.98814	6.6
71.54498	2.0
78.95892	6.1
93.03440	2.4
95.01395	1.6
95.05063	1.6
99.92570	2.1
117.03469	89.2
118.04279	4.2
119.05031	2.6
121.02962	73.2
123.04539	27.7
133.02975	15.1
133.27943	1.3
134.03773	6.7
144.42238	1.3
145.02943	6.5
149.02441	2.8
152.16542	1.4
152.99577	2.7
158.07341	3.9
162.03239	40.9
163.03854	3.0
171.00571	1.7
186.82661	1.6
201.12842	5.1
245.04285	4.5
245.11818	100.0
245.19077	4.4
246.12164	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	245.1392
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
60.15345	0.5
61.98832	1.1
65.25528	0.5
124.32287	0.4
150.52112	0.4
153.12866	0.5
155.14400	0.5
165.12830	6.1
166.05109	2.2
181.12335	2.0
183.13899	29.1
184.14276	0.8
199.13394	43.8
200.13783	1.5
220.04411	0.5
227.12914	4.8
245.13927	100.0
246.14285	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	245.1394
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
57.03447	0.9
58.00584	0.6
58.02950	0.7
59.01377	8.8
66.50398	0.5
68.16570	0.6
69.03466	1.2
70.86955	1.3
71.01376	2.9
71.05033	0.9
73.02943	3.0
74.02486	3.4
75.90096	0.5
78.95913	0.8
81.03465	0.5
81.98653	0.5
83.05023	1.6
84.02156	1.3
93.10035	0.6
95.05014	0.6
97.06570	1.0
98.02499	1.0
116.03578	0.7
116.05022	1.1
125.09725	1.5
127.11281	2.1
139.11226	0.9
141.12845	1.8
142.06636	2.2
147.11760	0.9
151.11252	1.1
152.99571	0.9
153.09171	0.7
155.10794	6.1
157.12329	1.3
163.11285	0.7
165.12857	3.4
167.10768	3.0
169.12344	9.1
171.10277	11.2
181.12360	0.9
183.10265	1.4
185.11827	12.7
186.05663	0.6
186.12123	0.6
197.11823	6.1
198.12190	0.6
199.13423	3.7
201.11351	6.8
203.08235	2.8
203.12842	5.9
204.06702	1.3
209.11841	11.4
210.12172	0.6
213.11275	1.4
213.14964	0.5
215.12859	1.2
227.12901	9.6
245.04469	1.4
245.09538	2.4
245.13931	100.0
246.14331	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	245.093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44470	1.0
58.02708	1.8
58.02974	24.6
65.62374	1.0
69.18444	7.0
69.18865	3.6
70.02984	14.5
72.00909	5.8
72.04541	3.5
74.02474	100.0
79.79687	0.9
98.02486	24.2
98.20669	2.2
116.02712	1.4
116.03545	30.3
116.05054	33.3
117.05402	1.7
130.06593	3.3
142.06613	8.2
142.40944	0.9
152.52177	0.9
158.79662	1.2
159.09325	6.6
163.21393	1.1
169.62221	0.9
183.09241	2.0
186.05559	2.4
201.10336	9.2
203.08261	87.6
204.08563	2.8
207.18530	1.0
221.34517	1.3
245.09293	79.9
246.09622	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	245.0428
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
71.54527	0.4
77.90434	0.4
78.95903	100.0
96.96958	8.3
101.90834	0.4
127.58260	0.4
132.17615	0.4
150.98036	1.1
152.99582	66.8
153.99919	0.5
156.14114	0.3
171.00635	29.4
245.04301	61.9
246.04764	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	245.0432
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
51.39090	0.5
71.16125	1.2
71.88791	0.5
72.99314	5.3
78.95905	100.0
87.00910	1.1
94.70760	0.6
94.98078	0.6
96.96963	8.2
114.98849	1.2
117.00436	0.9
119.98421	0.5
126.98886	1.5
128.98628	3.7
130.98361	2.5
137.22609	0.5
144.95508	4.2
150.97972	1.5
152.99593	68.6
153.99934	0.9
156.95914	0.7
156.99962	1.1
168.99928	0.9
171.00641	29.9
172.01010	0.6
172.99434	7.2
173.99545	0.8
174.99254	0.9
184.95876	1.1
184.97644	4.2
184.99303	1.0
201.95923	0.7
202.98662	1.7
203.94585	0.8
227.00386	0.7
245.04315	70.8
246.04646	1.6
249.94319	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.093
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
57.72343	0.8
57.98512	0.8
58.02977	22.1
70.02625	1.3
70.02980	17.1
70.55045	2.3
71.72858	0.8
72.00905	5.0
72.04552	5.1
74.02477	100.0
75.02805	1.1
85.92977	0.8
86.23994	0.8
96.87218	0.8
98.02479	24.2
105.84276	0.7
113.67033	0.7
116.03551	24.9
116.05058	36.4
120.18877	0.8
129.90021	1.0
130.06633	4.8
142.06650	8.9
156.08229	1.4
159.09296	7.8
183.09328	1.9
186.05580	2.6
201.10301	8.8
202.10681	1.0
203.08264	78.9
204.08525	3.6
245.09308	68.2
246.09613	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	244.1301
Annotation	H-Ile-Asn-OH
Peak:m/z	Relative Intensity
52.21553	0.6
58.02971	7.3
59.01392	1.3
61.98832	1.2
64.89985	0.5
66.03487	0.8
69.03457	0.7
69.71518	0.7
70.02980	2.3
71.02505	1.0
71.05566	1.0
73.04079	2.2
74.02471	9.3
76.73907	0.6
78.95900	5.0
82.02972	2.3
82.06613	1.5
83.05084	0.7
84.04538	1.0
87.05649	1.3
88.04041	0.8
96.00862	0.9
96.96024	2.0
96.96969	0.7
98.02475	26.5
109.01696	3.2
111.02846	0.7
112.07681	0.7
113.03571	30.4
114.00193	0.7
114.05622	7.3
116.07191	1.1
128.10771	0.7
129.10312	1.3
130.08734	100.0
131.09073	2.7
139.08823	1.8
140.07193	3.5
141.04036	0.6
141.10333	13.6
142.10721	0.6
143.11885	7.4
152.99597	2.9
156.10284	1.9
165.10352	3.0
166.08731	1.6
169.09830	2.7
171.00684	1.1
172.09546	0.6
182.12976	2.9
183.11382	9.2
198.50540	0.8
200.14078	4.6
201.06000	0.6
210.07733	6.0
226.12083	1.1
227.10355	22.7
228.10703	0.7
244.13008	40.9
245.01715	1.4
245.04324	3.5
245.13303	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	243.1963
Annotation	13-Hydroxymyristic acid
Peak:m/z	Relative Intensity
59.01378	100.0
60.01715	1.1
61.98830	9.1
64.72318	0.5
65.58874	0.6
66.03502	0.8
67.01891	0.9
71.54173	0.9
76.06678	0.6
82.03003	0.8
99.92577	2.4
110.02452	3.4
111.00898	0.7
162.44615	0.7
197.19165	0.9
197.90649	1.7
200.05655	1.7
225.11272	1.4
237.92619	0.7
243.06468	1.3
243.12337	2.3
243.15833	1.4
243.19638	36.6
243.89850	1.4
244.19978	1.6
246.67244	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76821	0.5
57.03444	0.6
58.02980	0.6
59.01379	1.4
62.71791	0.5
66.03476	0.7
69.92368	2.6
82.02986	0.9
82.06622	0.7
84.44447	0.5
87.00993	0.5
88.04032	2.2
109.01694	1.8
110.02467	1.9
114.09238	1.5
126.23505	0.6
129.10327	4.8
130.08740	47.5
131.09064	1.5
152.03555	0.8
154.08749	0.7
199.18163	26.7
200.05576	1.0
200.18439	0.9
214.60078	0.5
225.11111	0.6
243.17134	100.0
244.17508	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	243.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51708	0.4
59.01372	0.7
66.03497	1.2
69.32542	2.0
69.32951	1.2
70.61266	0.4
71.01382	0.4
71.05018	0.4
74.82449	0.4
82.02988	0.9
82.06628	4.9
84.08189	0.8
85.02961	0.9
85.06602	0.3
88.04063	0.4
95.05013	0.4
96.00899	0.6
97.06573	0.7
109.01691	8.5
110.02475	3.0
111.00887	0.4
112.07682	1.5
113.06032	0.5
114.09237	0.7
116.07205	0.6
126.05571	0.4
127.07603	0.3
129.10350	5.3
130.08742	49.6
131.09093	0.8
136.23430	0.3
138.53934	0.4
141.10339	0.7
157.13446	0.8
182.15494	5.0
188.55258	0.4
199.09644	0.6
199.18161	28.0
200.05663	0.9
200.18491	0.8
216.06647	0.6
225.11292	1.0
241.50128	0.4
243.02895	0.6
243.06491	1.1
243.17122	100.0
244.06151	0.6
244.17493	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	243.1238
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
56.30225	0.5
59.01376	0.6
63.28546	0.3
69.65058	2.5
71.05029	2.7
83.05019	1.0
88.28882	0.4
97.02947	4.7
97.06599	1.3
98.19892	0.7
99.00884	18.7
99.01542	0.9
107.19431	0.4
109.06612	0.9
110.02455	0.9
110.03748	1.8
123.08168	0.7
125.09720	5.1
135.08141	0.6
136.05324	0.7
142.02693	1.1
153.12891	0.4
155.14459	1.4
159.34065	0.4
163.11327	5.1
171.10266	1.0
181.12354	17.1
182.12651	0.7
197.11824	0.8
199.13403	16.4
200.13771	0.8
201.83020	0.5
207.10268	34.7
208.10622	1.8
225.11325	68.8
226.11688	2.8
243.12370	100.0
244.12732	4.5
250.58331	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99849	1.0
57.03444	2.3
58.00625	1.4
58.02977	10.3
59.01374	2.4
66.03491	1.9
69.62129	2.1
69.62539	4.3
71.01382	3.3
71.05032	2.4
72.00916	1.1
72.99308	1.3
74.02499	1.9
81.31027	1.1
82.03008	3.6
83.06157	4.2
84.04543	6.1
85.02952	1.1
93.03477	1.4
96.00946	1.3
97.06593	5.5
98.02477	1.4
98.20715	1.9
100.27858	1.0
101.07216	13.2
102.05617	1.9
103.05968	1.9
103.67326	1.1
103.83978	1.1
107.02522	1.8
109.01684	8.8
109.04109	6.7
110.02466	4.9
113.06079	2.5
114.09248	95.0
115.07658	1.2
115.09604	3.8
125.03589	2.7
125.06033	1.0
125.09727	1.6
127.05139	90.5
127.85634	1.1
128.03543	20.0
128.05533	1.4
129.03889	1.2
130.08743	1.5
139.14018	1.2
139.99368	13.8
140.10869	1.4
142.12410	2.6
145.06192	89.7
146.04642	1.6
146.06508	1.3
147.04944	1.6
151.11301	1.2
155.01730	10.5
156.13950	1.8
181.13484	58.1
182.13873	2.0
182.15523	8.8
198.15012	4.6
199.14569	7.5
200.05492	1.6
200.16537	0.9
201.06284	1.0
221.65227	1.2
225.12553	23.0
226.12692	1.8
226.14549	9.3
228.19148	1.2
243.03082	1.2
243.08643	4.1
243.13528	100.0
244.06465	1.3
244.15652	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	243.0621
Annotation	Uridine
Peak:m/z	Relative Intensity
55.01881	0.7
59.01377	1.8
61.63973	0.6
66.03486	14.3
68.01410	2.1
70.02950	0.6
70.83677	1.5
71.01384	1.7
71.08492	0.6
82.02983	28.9
83.01382	0.8
84.04510	1.1
94.02992	2.4
96.04543	1.9
99.42413	0.7
108.04552	2.9
109.01708	0.7
110.02475	100.0
111.02040	6.7
111.02771	1.4
116.07316	0.6
117.01915	1.3
120.04525	0.9
122.02475	8.1
124.04035	2.9
132.02954	0.8
138.01959	1.4
140.03532	12.5
141.03938	0.8
152.03534	18.4
153.03032	7.9
153.04036	0.7
164.03496	0.7
182.04584	1.7
198.82178	0.7
200.05634	38.3
201.05942	1.6
243.03702	1.3
243.06197	25.9
244.06612	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1236
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
56.82619	0.9
58.47487	1.0
70.97408	1.3
70.97746	1.6
71.05021	3.1
87.27948	1.2
91.63211	1.1
97.02952	3.9
98.20088	1.1
99.00883	23.4
103.90417	0.9
109.06595	1.2
110.03728	1.1
125.09683	6.1
127.51376	1.0
136.36763	0.9
142.02751	2.3
148.64781	1.0
153.12833	1.1
163.11304	9.2
177.63152	0.9
181.12334	26.0
182.12587	1.4
197.11899	1.1
199.13377	21.6
200.13541	1.3
207.10251	47.5
208.10617	2.8
225.11311	100.0
226.11623	5.6
243.12360	94.5
244.12701	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	242.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95799	0.5
59.01378	2.4
61.98819	1.0
66.03500	1.4
82.06614	1.8
97.06600	1.2
98.19922	1.0
100.07664	1.0
101.06091	0.7
103.92039	1.7
110.02487	1.2
122.02494	0.7
125.09717	7.8
136.29295	0.6
141.58141	0.5
154.12392	0.6
170.15503	13.8
171.15887	0.7
181.12424	0.9
198.14990	100.0
199.15324	4.8
201.11322	4.4
215.12929	1.2
225.02406	0.7
225.11345	2.5
225.15025	1.2
226.02583	5.2
242.14041	2.6
242.17661	2.0
243.12411	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	242.1397
Annotation	N-3-Hydroxyoctanoyl-L-homoserine lactone
Peak:m/z	Relative Intensity
55.01871	0.7
58.02975	25.9
59.01369	1.6
61.98837	0.6
66.03458	0.8
68.05051	1.0
68.91985	0.4
71.05022	45.5
72.04554	0.4
72.05361	1.0
72.99306	0.5
80.06599	0.4
81.03494	0.6
82.02969	1.0
83.05035	1.2
85.06583	5.1
86.06120	0.5
87.00880	0.7
93.03440	0.6
95.03788	0.6
96.04556	0.6
98.02487	3.4
109.01695	0.5
110.02455	1.6
111.00872	2.2
111.03251	2.9
114.09212	2.5
123.03287	1.3
126.09251	2.3
128.03464	0.6
130.08743	3.7
135.04480	0.7
139.11368	0.5
140.07188	0.9
140.10808	2.4
142.12363	0.5
152.10812	1.5
154.12393	9.1
156.13937	26.7
157.14253	0.7
163.11206	0.4
168.10292	7.0
169.10591	0.6
173.76750	0.4
176.03957	0.4
180.10287	0.8
180.13960	0.9
182.11824	2.8
189.56082	0.4
198.11258	6.2
198.14986	20.7
199.13403	1.8
199.15303	1.1
200.05705	0.5
200.12949	1.8
212.09294	9.5
213.09605	0.8
215.93967	0.4
224.09343	1.6
224.12915	17.8
225.11331	0.9
225.13293	0.9
242.10483	3.5
242.13966	100.0
243.06367	0.7
243.12219	1.6
243.14346	5.0
253.40625	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1809
Annotation	SCHEMBL1717294
Peak:m/z	Relative Intensity
57.03229	0.4
57.03450	4.4
59.01374	3.6
61.98825	5.3
68.99784	0.5
69.54987	0.5
70.96699	1.0
71.01389	0.4
71.05012	6.1
85.06595	4.0
87.04525	1.3
102.12503	0.5
103.92037	0.9
115.04008	1.5
118.91812	1.3
125.02486	0.5
153.12845	2.1
167.14384	2.4
168.60226	0.4
169.33131	0.5
172.08585	0.4
179.14420	0.7
184.00186	3.6
184.50377	0.4
195.17577	2.5
197.15446	0.9
212.91772	0.6
223.17050	7.3
224.17494	0.6
226.06337	0.6
230.72285	0.4
234.22414	0.5
239.16481	2.7
240.90286	0.8
241.07127	1.8
241.18088	100.0
241.57251	1.0
242.18442	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	242.0518
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71140	7.7
61.98834	100.0
71.47108	17.1
75.48552	8.7
78.95937	9.3
79.61536	8.7
85.37952	7.8
95.76961	7.6
137.28119	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	241.1445
Annotation	Annuionone F
Peak:m/z	Relative Intensity
50.69172	0.7
57.03454	5.3
57.56531	0.7
59.01379	3.6
61.98824	3.5
69.03468	1.2
71.00394	1.9
71.05022	3.4
83.05043	1.4
85.06574	1.6
92.46008	0.7
95.05068	1.4
97.06575	1.5
108.02167	1.7
111.08175	1.0
123.08173	1.4
125.09720	2.6
129.73482	0.6
179.14420	38.7
180.14754	2.1
195.13824	1.7
195.90515	1.0
197.11787	1.4
197.15482	19.6
198.15823	1.0
205.12363	1.2
222.98753	1.1
223.13391	35.0
224.13815	2.1
226.06439	1.1
241.14444	100.0
241.21497	4.3
242.14777	5.4
242.17392	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1081
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
50.99028	0.8
51.37219	0.8
57.03455	0.8
62.69410	0.8
65.45674	0.8
68.35093	0.8
69.51292	2.1
69.51711	3.7
71.05013	3.4
111.26712	0.7
125.09710	1.8
151.11244	0.8
153.12825	2.8
161.09633	1.2
179.10773	6.4
179.89136	0.8
197.11823	100.0
198.12122	5.4
200.64700	0.8
223.09698	2.4
229.85834	0.8
241.10799	76.8
242.11147	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	241.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02966	2.5
59.01387	1.2
65.47662	0.8
68.27170	0.7
70.02975	3.0
70.41827	0.8
70.67901	0.9
70.68245	1.9
82.02985	19.4
84.04552	4.1
93.61718	0.9
95.05026	2.5
101.07217	5.0
109.04077	2.7
110.02465	1.7
111.03249	1.5
112.04049	3.8
112.07674	23.2
113.06087	1.5
114.09275	1.0
126.09260	1.9
127.05135	13.9
130.08731	7.2
141.09282	1.3
141.10341	13.2
143.12294	0.8
154.12416	1.1
163.61900	0.8
168.09117	1.4
169.13458	1.8
179.10316	1.5
179.11877	20.9
180.10179	1.1
180.12309	0.8
197.13010	55.7
198.13402	1.8
198.15059	0.7
203.44763	0.8
204.59390	0.7
223.10864	16.2
224.11316	1.0
226.06920	0.9
241.11937	100.0
242.12259	5.3
243.34956	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1083
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
55.01844	0.9
69.03467	3.5
71.05011	3.8
80.98328	0.7
91.16478	0.7
92.09032	0.6
101.27557	0.6
106.85079	0.7
123.08175	0.9
123.97538	0.7
125.09710	2.7
133.40392	0.7
135.46722	0.7
151.11226	1.2
153.12831	4.2
161.09731	1.4
167.09944	0.7
179.10771	6.6
197.11823	100.0
198.12138	4.4
207.16826	0.9
222.03658	0.7
223.09752	2.0
241.10818	61.2
242.11205	3.2
253.10448	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.108
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
50.66370	0.6
57.03428	1.4
59.01135	0.6
59.01379	5.5
61.98814	2.1
63.65843	0.6
69.03442	2.4
69.43671	4.3
71.05016	4.1
83.09454	0.6
85.02963	0.6
87.00861	0.8
97.06586	1.4
98.20744	0.6
103.92019	0.9
123.08118	2.0
125.09698	0.9
151.11266	1.2
153.12843	3.1
169.06665	0.9
179.10789	6.5
181.08720	0.6
197.11826	100.0
198.12128	5.3
205.75746	0.7
223.09750	6.8
223.56177	0.6
226.06346	0.8
241.10823	43.1
241.14575	1.5
241.21692	2.9
242.11131	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	241.0829
Annotation	Thymidine
Peak:m/z	Relative Intensity
51.55240	2.9
59.01378	32.5
61.98833	6.7
66.03491	4.3
69.73100	16.9
74.02418	3.8
78.95897	12.2
80.93265	3.5
82.02996	3.8
85.02943	8.4
94.33559	3.3
96.32913	3.4
96.95985	16.0
103.92117	3.8
108.02183	5.5
112.00084	3.6
112.04044	7.6
114.05593	5.3
124.04096	3.0
124.37428	3.2
125.03560	11.5
129.02022	7.9
138.74329	3.1
141.10341	4.0
143.02020	24.4
151.00124	14.2
151.05148	30.5
158.99800	3.5
166.49377	3.1
168.99913	20.3
197.13092	16.9
226.06302	5.3
232.04428	3.1
241.08360	100.0
241.11983	12.0
241.14270	5.8
241.21680	15.4
242.08482	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	241.0119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04768	7.3
57.03447	11.4
59.01379	52.4
61.98826	36.9
69.21520	7.7
70.42668	33.7
71.01406	40.1
72.96969	11.7
72.99311	37.5
74.99385	21.5
78.95898	100.0
85.02937	16.1
87.00868	51.8
88.98783	10.9
96.96970	27.4
98.19918	8.7
99.00902	38.5
101.02435	18.1
102.98876	27.1
109.04089	42.4
111.00879	24.5
112.98221	6.8
112.98822	63.6
114.05614	36.2
114.98881	13.4
115.00371	25.9
117.00484	15.3
126.98883	31.4
127.02538	12.6
128.96825	11.8
129.00427	33.1
129.01968	47.2
142.99876	56.9
143.01974	61.3
145.01480	12.4
154.98351	11.2
159.01514	24.6
166.97473	13.6
168.01572	18.4
168.04364	11.2
168.99928	37.2
171.01489	35.5
172.99448	20.0
173.00897	57.5
173.04767	12.1
180.95856	16.2
187.02777	9.6
205.03581	21.9
215.05893	13.7
240.97734	29.0
241.01331	29.1
241.21788	21.6
242.05486	8.7
242.07927	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	239.1289
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
59.01368	1.1
70.94746	1.3
78.96909	0.5
95.05029	1.5
101.06084	8.4
109.06574	5.4
111.08175	5.0
125.09669	0.9
135.11720	0.6
138.06805	0.7
139.02934	0.5
139.04013	14.7
154.06357	32.0
155.06734	0.9
160.18283	0.4
167.14424	11.5
168.14674	0.5
179.05627	1.2
179.10774	5.4
182.05864	3.2
195.13899	100.0
196.14246	3.7
239.12886	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	241.012
Annotation	6-Deoxy-5-ketofructose 1-phosphate
Peak:m/z	Relative Intensity
55.00274	1.5
59.01382	4.5
61.98831	5.5
69.17966	1.6
69.49808	4.5
69.50230	6.3
71.01382	5.0
78.95898	18.2
80.93235	1.7
82.02996	2.1
85.02952	13.0
87.00870	3.5
88.98811	2.8
96.96969	6.5
99.00872	3.7
109.04066	1.7
111.00912	3.5
112.04042	5.1
112.98804	6.9
114.05581	2.0
122.99434	1.6
125.00986	1.7
128.96838	2.0
128.98616	1.9
129.01927	13.7
130.08730	1.6
141.00473	3.0
141.10291	2.2
142.99828	5.9
143.02005	100.0
144.02122	6.5
151.00137	17.6
166.97511	8.5
168.01413	1.6
168.91164	3.1
168.99927	75.1
170.00133	3.5
171.01494	2.2
173.00922	4.6
197.12946	10.3
199.20229	1.5
205.03477	2.6
208.98582	2.0
240.97636	3.2
241.01196	8.7
241.12140	7.9
241.14133	2.0
241.21645	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	239.0924
Annotation	CMPF
Peak:m/z	Relative Intensity
50.66787	0.6
59.01379	100.0
60.01709	1.3
69.75682	0.6
69.80860	3.1
81.03468	2.4
83.05032	0.7
85.02963	1.6
95.05035	1.8
97.06578	4.3
109.06591	2.9
120.20147	0.6
133.06625	0.7
135.08162	2.4
141.05562	10.7
151.11249	3.3
177.09232	3.8
179.05644	0.7
179.07047	1.4
195.10251	36.6
196.10689	1.4
221.08211	1.8
224.08957	0.8
239.09247	19.8
240.09610	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	239.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26239	0.6
59.01381	100.0
60.01729	1.6
69.41022	1.5
69.41441	3.3
80.22528	0.6
81.03463	2.6
83.05015	1.1
85.02951	1.2
95.05029	2.1
96.96027	2.9
97.06601	3.4
106.45196	0.7
109.06593	3.2
133.10231	0.8
135.08131	3.5
141.05579	9.9
151.01105	0.6
151.11293	2.6
159.10245	2.6
177.09169	2.7
179.05620	2.2
179.07086	1.3
180.86047	0.6
195.10257	36.2
196.10605	2.1
221.08278	1.4
228.79193	0.7
239.06021	2.8
239.09232	24.7
240.09544	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1288
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
55.72247	0.7
59.01384	3.6
63.08527	0.6
65.92918	0.7
69.29971	5.8
85.02952	0.6
177.12857	3.3
179.05641	1.6
183.37015	0.6
195.13892	100.0
196.14230	5.1
203.10797	0.9
221.11845	0.7
239.12859	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	237.1497
Annotation	OPC-4:0
Peak:m/z	Relative Intensity
57.03159	1.6
57.03448	44.4
59.01379	95.7
61.98830	3.2
69.03454	1.9
69.30658	7.6
69.31056	2.2
71.01379	29.2
73.02943	2.2
73.85017	1.1
82.07731	1.3
83.05026	4.1
85.02959	3.1
85.06577	1.8
93.03476	1.4
96.95984	2.3
99.08204	1.1
101.02431	4.3
101.03044	1.2
110.35548	1.1
111.04514	2.7
113.02455	2.8
129.05569	11.2
132.95078	1.2
141.05580	2.1
142.84061	1.1
149.15317	1.2
161.04507	1.8
163.03857	1.2
165.12842	15.4
166.13116	1.3
177.12840	3.0
179.10706	2.7
193.12254	1.3
193.15979	13.6
219.13890	5.7
221.89165	1.2
237.14946	100.0
237.18660	2.5
238.04922	1.5
238.15366	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	237.098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	10.7
57.03450	7.0
58.00585	3.0
59.01380	76.2
60.01716	0.8
61.98833	0.6
65.12946	0.5
65.47354	0.6
69.03481	0.7
71.01381	91.2
71.51752	0.8
72.01698	1.1
72.99304	4.2
73.02948	40.2
73.04070	2.5
75.00874	4.7
83.01389	20.2
83.01894	1.0
84.01720	0.6
85.02950	50.2
87.00867	6.8
89.02447	12.4
95.01380	6.7
96.96004	0.5
97.02969	2.3
99.00883	14.6
100.33640	0.6
101.02443	100.0
102.02798	2.0
111.00878	1.1
113.02447	36.5
114.02768	0.8
115.00397	0.6
119.03516	3.1
119.05010	1.1
125.02454	2.0
129.01950	2.3
134.04738	0.6
143.03491	3.3
159.02988	10.3
161.04553	35.1
162.04909	1.0
167.41525	0.6
201.79022	0.6
205.03650	0.9
237.09811	20.4
238.05821	0.9
238.10136	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89468	0.7
55.01846	0.7
57.03453	0.7
59.01378	2.1
61.98825	3.0
70.16410	0.8
71.01383	1.3
71.87053	0.7
79.95737	100.0
80.64931	0.6
94.02972	0.8
95.05009	0.7
100.07687	1.9
101.02424	1.2
107.81562	0.6
123.08159	0.9
124.34724	0.7
126.12897	6.1
170.11893	1.8
172.13435	14.3
216.18913	0.7
234.82390	0.7
236.09602	71.4
237.09822	2.5
237.14748	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53772	0.3
59.01378	0.3
61.98845	0.2
70.99906	0.6
89.40527	0.3
114.79420	0.3
134.03738	0.5
135.04555	0.4
136.05251	0.6
138.87708	0.3
148.05302	11.5
149.05911	0.4
149.09773	1.6
150.05563	0.3
152.63620	0.2
162.06877	0.5
175.07704	0.3
176.08403	0.9
177.09209	47.1
178.09531	2.2
180.07889	0.3
190.09972	2.0
191.10773	0.8
192.11560	34.6
193.11969	1.6
201.09241	0.7
203.07158	0.7
206.09447	0.3
217.08690	3.7
218.09454	9.4
219.09877	0.3
236.10535	100.0
237.10898	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	234.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07277	2.2
53.03094	2.1
59.01380	100.0
60.01709	2.4
61.98828	13.6
64.02116	2.4
65.71634	2.5
70.63564	6.0
71.01389	5.4
71.42305	2.2
72.99326	2.6
78.95917	7.7
81.28363	2.0
87.00862	2.7
89.03371	2.4
96.96001	5.1
96.97009	2.2
101.02475	3.2
112.90764	2.3
115.00383	3.4
133.01443	3.7
133.05110	3.3
136.94037	12.3
233.99330	10.4
234.01959	3.9
234.15759	13.5
249.55206	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	235.1339
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
51.75690	0.7
53.40507	0.7
59.01381	100.0
60.01711	1.0
61.98823	1.7
65.41100	0.7
69.65826	0.8
71.01381	2.1
78.94424	0.8
89.94796	1.0
95.05046	1.0
106.04240	0.8
113.02478	1.0
129.74574	0.7
149.09734	1.7
163.11285	38.1
164.11565	1.8
175.11349	1.1
175.37439	0.8
176.62212	0.8
191.14424	17.9
192.02855	0.9
192.14682	0.9
202.10123	0.9
217.12329	4.1
235.13390	41.1
236.13693	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	234.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91767	2.4
59.01380	100.0
61.98826	43.3
70.72840	5.5
70.73170	3.4
71.01373	16.9
72.99306	7.4
75.00874	8.9
77.24595	2.3
78.95885	4.2
80.77879	2.6
89.02441	4.4
96.96958	3.7
115.00380	46.5
133.01418	88.4
133.05032	6.7
133.44774	2.5
135.95650	6.6
149.04538	20.8
149.73965	2.3
152.82191	2.7
171.97365	3.5
173.97182	3.3
173.98802	4.0
191.94609	7.2
229.12895	2.6
234.02028	6.9
234.15672	5.2
234.99811	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	233.9656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39194	0.7
59.01378	4.4
61.98830	16.7
69.46289	5.2
71.01381	18.7
72.99306	5.1
75.00847	2.0
78.93758	0.7
87.00875	1.0
89.02447	3.0
96.08593	0.6
99.21865	0.6
103.54966	0.7
115.00372	55.0
116.00697	1.2
133.01425	100.0
134.01718	1.3
135.95638	1.8
149.04544	8.7
162.98474	1.2
187.30867	0.7
189.53386	0.7
191.94629	3.2
194.25694	0.6
220.56940	0.8
234.99753	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	233.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.4
59.96731	0.5
60.97517	0.6
65.62551	0.2
70.97013	0.3
74.99074	9.8
74.99509	0.5
75.96179	0.2
75.99036	0.3
91.02203	1.2
93.00129	2.2
97.09482	0.2
118.96240	2.1
134.99400	9.3
135.99403	0.3
136.97304	1.9
141.07397	0.4
143.05327	1.2
149.00957	75.8
150.00908	3.2
150.98875	0.9
159.08435	2.0
161.06403	3.8
167.01958	0.4
198.78685	0.2
201.04134	0.3
215.05678	1.7
217.07201	100.0
218.07338	6.9
233.10329	92.3
234.10483	6.9
234.15724	0.4
235.08334	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1343
Annotation	Thalictroidine
Peak:m/z	Relative Intensity
59.01380	47.1
60.01699	1.7
60.50559	1.3
61.98825	4.0
67.01888	1.5
71.53591	2.2
75.00855	3.7
83.05036	2.0
84.01424	1.3
87.92528	1.4
91.05518	7.3
93.03455	5.2
97.54729	1.6
100.07690	4.0
101.06091	2.2
111.04476	1.6
116.43443	1.4
118.65182	1.4
125.83328	1.6
128.07176	83.0
129.07516	2.0
135.04482	1.7
137.89816	4.1
146.96533	1.7
149.92072	1.5
162.99608	1.4
164.72186	1.4
173.04517	4.1
181.88727	1.4
204.13930	4.3
232.13419	100.0
233.15488	94.5
253.32492	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	233.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	5.2
57.54416	2.1
59.01381	92.3
60.40391	2.3
61.98821	23.2
67.01892	3.8
68.99835	2.4
70.74210	6.8
71.01383	25.9
72.99315	4.2
73.02931	4.2
74.42332	2.4
75.00863	4.5
78.49696	2.1
78.95898	6.9
83.01366	6.3
85.02966	5.2
93.03463	7.6
94.95725	3.0
96.95990	7.1
96.96949	5.8
99.00863	8.8
101.02434	5.1
111.00899	11.7
111.04564	2.5
115.00368	7.5
129.01923	14.0
133.01463	4.1
136.94000	7.6
143.04688	3.2
145.00850	8.2
166.89612	2.3
173.04506	10.4
188.99870	4.2
215.09259	3.6
232.98856	4.5
233.10313	10.7
233.15446	100.0
233.99272	6.0
234.15627	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	231.1601
Annotation	3,12-dihydroxydodecanoic acid
Peak:m/z	Relative Intensity
57.03442	1.3
62.16099	0.3
69.50025	2.1
71.01373	0.5
87.04536	0.4
88.14155	0.3
125.09715	0.4
127.11285	2.7
155.14392	1.1
167.14409	0.4
171.10277	4.2
202.52507	0.3
203.69440	0.3
213.14961	5.0
229.14485	3.3
231.16000	100.0
232.16350	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	231.2117
Annotation	Aplotaxene
Peak:m/z	Relative Intensity
56.69365	4.8
59.01368	19.4
61.34341	4.7
71.00499	9.9
81.19937	5.3
81.95779	4.9
231.06654	8.0
231.10265	7.2
231.17456	15.2
231.21155	100.0
232.21452	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	229.9706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60697	0.7
59.01385	1.0
59.33823	0.8
61.98532	1.4
61.98829	17.2
66.04705	0.8
71.01376	0.8
71.53032	0.7
72.99316	1.6
74.02487	0.9
78.95910	1.7
82.03003	2.5
84.04544	1.4
85.02950	100.0
86.03285	1.8
87.00873	2.7
88.04033	0.9
96.04563	1.4
98.06121	1.0
99.00872	1.1
112.04012	3.7
114.05614	7.5
115.08765	0.9
119.96181	0.8
120.95431	1.0
126.05641	1.2
129.01944	90.3
130.02274	1.8
142.03322	1.9
142.05077	3.5
154.05070	2.1
156.03047	3.1
158.00020	1.1
160.53084	0.9
168.03023	1.3
176.00372	1.0
186.04143	1.9
188.97247	1.0
203.98224	1.8
204.97519	1.7
213.00084	1.5
215.22200	0.8
224.26527	0.8
226.63997	0.8
230.01434	1.6
230.06618	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	231.1237
Annotation	Jioglutin E
Peak:m/z	Relative Intensity
55.95914	0.4
59.01380	31.0
71.54511	0.4
72.99319	0.7
74.12615	0.4
75.00878	1.9
76.90967	0.4
85.06587	0.7
99.08197	1.4
113.06113	1.5
125.09711	0.4
127.11292	1.6
147.43787	0.4
151.11259	3.3
153.09229	1.0
168.31844	0.4
169.12341	28.3
170.12654	0.8
171.10266	100.0
172.10583	3.1
185.11855	0.6
185.15454	1.0
186.72308	0.5
192.86089	0.4
194.56641	0.5
213.11302	8.6
231.12360	46.3
231.15802	9.8
232.12697	2.3
232.16360	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1349
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
53.03755	1.3
57.03447	1.5
59.01379	4.3
59.92548	1.3
61.98828	2.8
62.70931	1.3
71.01362	7.3
71.52696	1.6
72.99306	4.8
73.04063	15.0
74.02489	1.9
78.95889	2.4
83.05040	2.7
85.02960	3.6
85.06581	1.8
87.00891	3.0
87.92543	3.6
97.06604	3.3
98.03746	2.1
108.04564	1.7
110.06120	9.3
113.06112	9.2
114.00211	1.6
114.05656	1.6
115.00502	1.9
115.05932	1.7
119.96148	1.5
123.08147	1.8
123.94695	1.4
130.08737	95.8
131.09035	2.0
134.02380	1.4
139.07625	4.8
142.03372	2.3
143.03670	3.3
143.11902	26.8
150.41794	1.6
154.05107	3.4
157.08675	3.1
169.08662	3.1
173.46107	1.4
186.91544	3.1
187.10886	100.0
188.11240	2.8
188.97307	1.8
199.10292	1.5
228.39040	1.5
231.01483	2.6
231.08673	5.0
231.13522	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	229.1445
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
54.53004	0.5
58.00597	0.5
59.01147	0.5
59.01385	5.7
69.29215	4.1
71.01408	0.6
83.05016	1.6
85.06596	0.9
97.06577	0.7
98.19939	0.9
123.04536	0.5
125.09711	0.9
138.27429	0.5
141.05530	1.1
149.13315	0.7
155.14445	0.6
159.06654	1.1
167.14397	1.2
169.12332	12.6
175.11252	0.7
181.12386	5.8
183.13902	1.1
193.12335	8.3
199.13390	3.7
201.11311	3.9
211.13394	14.7
212.13594	0.6
227.12877	1.4
229.14442	100.0
230.14780	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	229.1557
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
52.53827	0.5
70.92041	1.4
75.00880	0.9
77.21133	0.5
82.06631	0.7
91.94808	0.5
101.53516	0.5
114.09254	1.5
115.08778	8.0
130.08739	39.7
130.62657	0.6
131.09116	0.7
152.76784	0.6
185.16583	33.0
186.16930	1.7
229.02623	0.7
229.10718	2.0
229.15564	100.0
230.15897	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	229.1445
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
51.08076	0.2
57.03447	2.2
58.07612	0.2
59.01382	0.3
69.03439	0.2
69.29046	1.5
69.29450	0.4
71.05027	1.1
71.42057	0.2
73.02966	0.3
82.49080	0.3
83.05032	1.1
84.02166	0.8
85.02948	0.7
85.06595	1.6
95.04985	0.2
97.06607	1.5
98.20630	0.5
115.07653	1.2
123.08151	0.4
123.22617	0.2
125.06076	0.3
125.09728	5.4
127.11288	5.5
141.05548	0.7
147.50238	0.2
149.13342	0.2
155.14410	2.5
156.14769	0.3
159.06598	0.8
165.12830	1.1
167.14375	2.0
171.10268	0.8
183.13866	0.8
185.11819	0.4
185.15437	0.3
199.09694	0.2
201.11314	4.3
209.11844	2.1
211.09854	0.4
211.13385	4.8
212.13669	0.3
227.12921	0.3
229.14432	100.0
230.14771	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	229.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.2
58.26075	0.4
59.66154	0.5
69.72520	3.0
79.86057	0.6
83.05016	1.7
84.02165	0.5
85.02950	0.5
93.12459	0.5
95.05043	0.6
97.06574	1.0
99.08138	0.6
125.09720	1.9
127.11302	3.4
138.58499	0.6
155.14346	0.6
165.12819	0.6
167.14424	2.8
171.10274	3.8
183.13904	1.8
193.12271	0.8
195.24762	0.6
204.86812	0.6
209.11865	2.9
211.13387	10.8
212.13721	0.9
229.14432	100.0
230.14799	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	229.1443
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03444	0.5
58.00592	0.8
59.01373	0.9
69.41376	3.6
71.01358	0.6
71.05027	0.5
73.02942	0.6
75.14633	0.4
83.05009	0.7
87.04469	0.4
89.44349	0.4
109.02988	0.5
125.09706	1.8
127.11282	1.3
145.06891	0.5
149.09758	0.5
149.13350	1.6
153.12828	1.4
155.10944	0.6
155.14412	5.2
167.14357	2.1
183.13875	7.8
185.15500	0.6
193.12326	2.5
199.13370	4.9
201.11327	7.9
209.11896	0.5
211.09908	0.8
211.13422	6.5
227.12900	2.8
229.14430	100.0
230.14766	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	227.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29393	0.4
57.03440	0.6
57.39988	0.4
58.70872	0.3
69.97430	1.7
83.05016	0.5
92.46505	0.5
95.05022	0.4
97.06609	0.4
100.89569	0.3
111.08178	1.0
148.88359	0.4
165.12839	18.5
166.13173	0.6
183.13890	100.0
184.14224	5.1
209.11778	2.2
218.47469	0.5
227.12866	18.2
227.20186	1.7
228.13139	0.9
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	Traumatic acid
Peak:m/z	Relative Intensity
54.89963	0.5
66.65195	0.5
71.05030	0.6
74.20141	0.5
77.57079	0.4
80.02670	2.2
81.03448	1.6
83.05023	8.1
84.02164	5.0
95.05026	1.1
98.20647	1.2
111.08085	0.6
114.64309	0.4
123.00891	0.8
125.06071	1.5
135.08183	1.2
152.62361	0.5
163.11295	6.8
165.12823	6.2
181.12338	1.0
183.00455	3.2
183.13907	5.4
191.10754	1.7
197.36150	0.5
209.11819	100.0
210.12134	5.6
227.03174	2.1
227.12872	5.1
227.20097	1.1
229.92328	0.5
244.14911	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1077
Annotation	Caiophoraenin
Peak:m/z	Relative Intensity
55.83157	0.5
57.03445	3.1
59.01370	0.8
60.87630	0.5
61.76713	0.5
63.45813	0.4
65.55525	0.4
69.03453	2.0
69.98773	2.6
72.65397	0.5
72.99305	1.0
97.06592	0.7
98.67467	0.5
111.08110	0.5
125.09731	5.1
127.11269	1.9
139.05319	0.5
139.11269	1.6
141.12830	4.5
155.10806	2.3
167.10756	5.2
171.10201	1.2
185.11815	100.0
186.12178	5.1
200.04692	0.6
201.11281	4.7
229.02678	1.0
229.04909	0.5
229.08748	0.9
229.10780	14.3
229.14273	5.4
230.11169	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1287
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
57.03449	0.4
57.57411	0.3
63.68304	0.3
69.62560	0.3
77.81038	0.3
91.49914	0.4
111.08153	1.1
123.33697	0.3
125.77023	0.3
133.91798	0.4
142.79251	0.3
157.13208	0.4
165.12839	18.6
166.13182	0.9
166.86771	0.3
170.60031	0.3
175.09558	0.3
183.13890	100.0
184.14294	5.2
209.11815	2.7
227.12863	16.9
227.20192	0.5
228.13167	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1288
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
55.91079	0.7
57.03436	3.0
59.01379	1.6
71.01387	0.8
71.02193	1.8
71.05005	1.2
74.51070	0.7
83.05027	2.1
86.19624	0.9
91.50494	0.7
95.01371	1.0
95.05064	1.0
97.06563	1.9
105.07094	1.0
111.08179	5.6
119.08653	0.8
147.11778	0.7
159.24863	0.7
163.11234	1.0
165.12848	32.7
166.13161	1.6
169.10225	0.7
183.13896	48.5
184.14227	1.7
185.13329	2.2
199.63237	0.7
209.11823	29.3
210.12213	1.0
227.12877	100.0
227.16566	2.8
227.20084	3.6
228.13240	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	225.1608
Annotation	1,8-Diazacyclotetradecane-2,9-dione
Peak:m/z	Relative Intensity
52.21473	0.4
58.02975	0.5
58.16813	0.4
59.01371	2.0
70.11166	1.4
71.61822	0.5
80.05052	0.8
80.96516	0.8
81.03457	17.3
82.06605	0.7
83.05026	85.0
84.05367	2.0
93.03436	2.8
95.05012	0.5
96.96021	1.3
99.42681	0.5
107.06144	0.9
108.04543	1.5
109.02936	0.6
111.00863	0.6
125.07193	3.2
126.05625	0.5
126.55749	0.5
126.90535	1.3
137.02435	1.7
143.08249	3.0
162.04880	0.5
163.11285	0.6
181.12294	1.0
195.64604	0.5
207.15024	10.1
208.15309	0.7
210.05244	0.7
224.90556	0.7
225.00476	0.8
225.04187	1.1
225.11488	3.0
225.16078	100.0
226.16414	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	226.1449
Annotation	N-Octanoyl-L-homoserine lactone
Peak:m/z	Relative Intensity
53.13520	0.7
58.02978	20.1
59.01372	2.9
59.13634	0.6
61.44657	0.6
61.98823	5.2
62.02442	0.7
63.61122	0.6
64.34366	0.6
70.02975	0.8
70.13518	0.7
71.01383	0.8
71.52292	1.0
83.05032	0.8
84.07831	0.7
153.01282	0.8
153.12807	0.9
154.12349	1.6
164.11572	1.3
165.12831	2.5
166.12447	1.3
182.15494	51.7
183.13884	8.8
183.15793	3.1
184.13420	15.3
185.13763	0.7
208.10596	1.5
208.13400	1.3
209.11780	1.5
226.14478	100.0
227.12787	1.6
227.14822	5.8
227.20175	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	225.1132
Annotation	Chloriolide
Peak:m/z	Relative Intensity
52.98684	0.4
55.01882	0.5
57.03451	0.9
59.01383	1.2
69.97885	0.9
69.98271	0.9
70.62786	0.4
71.05032	1.2
75.05083	0.4
81.03476	0.6
83.05043	0.9
95.05045	1.0
97.02959	10.8
97.06594	1.9
99.00885	9.3
109.06596	2.2
110.03738	5.5
123.04519	1.2
123.08209	1.0
125.09708	3.9
135.08195	2.1
135.97418	0.4
136.05324	2.0
142.02718	5.5
145.10210	0.7
147.31277	0.4
161.09706	1.1
163.11285	12.5
179.10661	1.2
181.12340	21.2
182.12735	1.1
189.09274	0.7
197.11865	1.3
205.17216	0.4
207.10262	71.4
208.10556	3.1
225.11319	100.0
226.11610	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	225.1131
Annotation	12-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
59.01376	6.3
60.29632	0.8
61.98821	1.9
69.33710	0.9
83.05050	1.1
93.03435	3.6
109.06592	1.0
126.90405	1.0
137.02396	1.7
163.11211	5.4
178.83430	1.6
181.12328	100.0
182.12654	5.8
182.41786	0.9
207.10202	3.8
225.00412	1.3
225.11234	8.6
225.14920	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	225.1494
Annotation	Annuionone E
Peak:m/z	Relative Intensity
59.01381	4.1
65.00339	0.7
65.17377	0.6
70.08008	2.4
74.38528	0.7
83.05013	1.4
93.03466	3.1
97.02956	0.6
97.06618	1.3
125.02473	0.7
125.88676	0.6
126.90530	1.5
132.62396	0.8
137.02477	1.3
143.07130	2.9
149.09700	1.2
163.11310	1.7
163.14992	1.2
169.12241	0.8
181.12364	3.6
195.13899	7.7
196.14258	0.8
197.15506	4.5
207.10254	1.5
207.13889	25.9
208.14275	1.2
225.00446	1.5
225.11327	5.3
225.14957	100.0
226.15233	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	225.1132
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
57.03445	2.7
59.01379	100.0
60.01720	0.6
69.03465	0.6
70.81773	0.8
70.82092	0.8
70.84794	0.5
81.03465	1.7
83.05006	0.6
95.05021	1.0
96.96004	3.1
97.06594	8.0
107.05056	0.6
109.06565	0.6
123.08142	0.7
133.16910	0.5
135.08185	1.6
137.09732	0.7
147.08179	3.0
151.11273	0.8
156.36742	0.5
163.11288	1.5
165.09209	2.3
179.36868	0.5
181.12305	0.8
193.96913	0.6
225.07950	1.6
225.11320	28.6
226.11635	2.0
230.26215	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1131
Annotation	Chloriolide
Peak:m/z	Relative Intensity
53.95876	0.4
57.03448	0.5
59.01374	1.8
59.63698	0.5
61.50389	0.4
63.25349	0.4
70.06708	0.5
71.05016	0.5
71.30471	0.9
81.03487	0.7
83.05032	0.9
93.03453	0.7
95.05064	0.6
97.02951	11.6
97.06584	0.9
99.00879	3.5
109.02893	0.6
109.06629	2.9
110.03725	5.5
123.04521	0.5
125.09684	1.4
125.10516	0.4
135.08182	1.6
136.05305	2.6
142.02713	4.3
143.03035	0.4
151.07520	0.7
161.09718	1.2
163.11290	11.1
164.11574	0.5
179.10765	1.4
181.12338	31.6
182.12653	2.0
188.38145	0.5
189.09222	0.8
197.11778	2.0
207.10255	76.8
208.10593	4.0
213.14473	0.5
219.77614	0.6
225.11317	100.0
226.11685	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.0
61.81575	0.5
61.98831	2.4
67.02650	0.6
68.99789	0.5
83.05042	1.5
84.24088	0.7
93.03450	1.9
97.02963	0.8
120.16840	0.6
121.27931	0.5
137.02405	0.9
163.11295	6.3
178.83389	1.2
181.12337	100.0
182.12637	4.9
207.10229	1.6
214.95578	0.7
224.90515	1.1
225.11284	6.7
225.14810	1.2
225.92647	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43805	0.2
55.25431	0.2
59.01382	3.9
66.68282	0.2
69.03400	0.2
69.34842	1.4
69.35249	0.5
71.05016	1.4
79.95731	8.1
80.96526	0.7
93.03481	0.3
95.95227	13.0
96.96013	7.8
98.19968	0.5
109.06612	0.2
109.96807	0.4
110.97610	0.2
113.09722	0.8
141.95755	0.7
145.12263	0.2
151.00710	0.4
163.11234	0.2
207.10237	0.7
223.06270	0.2
225.08014	100.0
225.11105	2.6
226.08345	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	225.0879
Annotation	Porphobilinogen
Peak:m/z	Relative Intensity
52.01894	1.1
57.46639	1.0
57.87857	1.1
58.02975	1.9
59.01376	2.1
61.98826	17.1
66.54689	1.0
71.51008	2.2
79.95779	1.6
80.96522	3.1
82.02982	100.0
84.00926	1.4
85.02941	2.2
91.09532	1.2
93.03473	3.3
96.96019	4.1
97.02990	1.4
109.02924	1.4
110.02474	7.5
110.06127	3.6
111.00831	1.4
111.03282	4.3
111.79102	1.1
112.04055	8.7
114.05571	5.6
126.90510	1.7
137.02441	2.9
143.01993	1.6
147.04588	1.4
153.06738	4.5
153.10335	1.3
163.08757	2.5
163.11334	1.7
164.95079	1.0
181.09818	88.6
182.10124	3.3
195.03033	1.3
199.00967	1.9
210.05249	1.7
225.04366	3.6
225.08830	55.0
225.11284	3.7
225.92657	3.8
226.09140	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	223.1339
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
54.17814	0.7
57.03451	1.6
59.01381	6.6
61.98824	8.4
65.51118	0.8
68.60004	0.8
69.03452	8.1
71.05019	2.1
74.99081	1.1
83.05087	0.8
83.76650	0.7
85.06585	1.9
95.05030	1.8
97.06608	1.5
109.06577	2.2
125.09667	1.2
135.11835	1.2
141.09207	1.4
141.86794	0.9
149.09735	1.2
151.03996	1.5
161.13383	1.3
166.06326	3.4
167.10773	9.5
176.83672	2.7
177.12881	1.7
179.10762	4.5
179.14420	11.3
180.94208	0.8
195.13895	28.6
196.14175	1.6
205.10414	0.6
205.12321	20.7
223.02837	8.0
223.13391	100.0
224.13724	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	223.065
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86805	0.3
59.01379	1.1
61.98832	0.7
61.99123	0.3
65.75831	0.3
69.58255	1.3
69.58684	1.0
74.02473	0.5
79.95737	1.7
82.02989	0.6
86.39600	0.3
93.03465	1.7
95.04964	0.3
95.54976	0.3
95.95255	0.8
96.96014	100.0
101.02475	0.5
105.23371	0.3
109.02941	0.4
111.08134	0.5
112.07681	0.4
114.05615	0.3
121.02980	3.0
123.08242	0.4
127.05149	1.9
129.83444	0.3
133.06552	0.4
134.18585	0.4
135.04552	1.4
149.02449	5.2
151.04031	0.4
152.01151	1.7
152.10812	0.3
161.09715	0.7
163.04021	1.4
164.04785	3.3
165.01932	1.7
165.09200	0.4
166.02293	0.4
167.03474	0.5
169.05058	0.4
179.07082	1.4
180.06480	0.3
193.01433	6.8
194.99477	0.4
205.08670	0.8
208.03778	8.1
223.06433	72.3
223.13422	1.3
224.06787	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	221.1547
Annotation	Rishitin
Peak:m/z	Relative Intensity
50.34523	0.1
59.01375	0.4
66.96625	0.1
70.10777	0.2
98.19918	0.5
105.09235	0.1
127.07652	0.5
148.05321	0.4
149.05981	0.5
151.07594	0.3
164.08403	2.2
165.09096	0.3
188.49837	0.1
189.64186	0.1
196.07462	0.1
205.12346	1.7
206.12666	1.2
207.13989	0.8
220.14664	4.3
221.15446	100.0
222.15794	6.8
235.13417	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0852
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21036	0.3
59.01374	1.1
62.23178	0.3
64.32601	0.3
71.11122	0.7
77.49190	0.4
83.39743	0.4
85.04003	0.3
87.00906	0.7
87.02749	2.5
89.42982	0.4
113.58192	0.4
118.94779	0.4
131.05379	1.4
131.86887	0.4
133.06932	100.0
134.07291	2.6
192.03540	0.4
205.98592	1.0
221.08517	15.5
222.08948	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0931
Annotation	Glycyl-L-phenylalanine
Peak:m/z	Relative Intensity
50.56033	0.5
59.01379	15.3
61.98830	2.7
65.42903	0.5
68.40491	0.6
70.63070	1.6
71.01382	1.7
71.02479	0.5
72.00890	1.3
73.04068	100.0
74.02457	1.0
74.04424	0.8
76.47098	0.5
78.95917	0.7
85.02932	1.5
85.04059	0.9
87.00879	0.5
89.02455	0.8
91.05533	2.5
101.02456	1.1
107.04991	0.6
109.02988	0.7
113.02460	0.6
120.99685	1.6
133.02957	0.9
133.06590	1.1
135.04521	0.8
139.38194	0.6
147.03360	1.1
147.04521	19.0
161.04590	1.6
162.08554	0.5
164.07162	22.9
165.07593	1.0
177.01964	0.7
177.05569	1.0
177.10318	2.4
178.08557	0.6
180.06702	1.9
190.99911	0.6
206.02267	0.8
206.09404	0.6
211.15944	0.7
212.45901	0.5
221.04681	1.8
221.09325	37.8
221.11702	2.5
221.15298	0.9
222.07631	1.2
222.09628	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	221.0455
Annotation	Sphagnum acid
Peak:m/z	Relative Intensity
55.01629	0.8
55.01881	13.0
59.01379	10.0
71.01382	1.8
71.99377	0.5
74.02472	9.8
85.02979	1.5
93.03468	0.8
95.05062	0.9
96.96033	0.9
101.02441	0.8
109.02936	0.6
113.02480	0.7
115.05499	1.1
118.98328	0.5
119.58863	0.5
121.02955	1.3
131.05037	11.0
133.06601	100.0
134.06955	4.2
135.00931	0.6
147.04483	1.2
158.03674	0.7
159.04512	12.9
160.04860	0.7
177.01982	0.6
177.05589	3.8
177.09164	1.0
180.92555	0.5
190.99876	2.0
203.03526	3.0
206.02216	1.6
206.09413	0.6
221.01065	0.6
221.04602	7.5
221.08264	0.9
221.11787	1.0
221.15451	0.6
222.04832	0.7
222.07773	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	221.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.5
57.03443	0.4
59.01381	5.1
71.01394	0.6
71.52894	0.3
73.02975	0.4
73.17073	0.3
79.95732	10.0
80.70368	0.3
82.81950	0.3
85.02976	0.7
87.04522	0.4
94.42846	0.3
95.94609	0.5
95.95237	14.8
96.96014	100.0
98.22540	0.3
100.55154	0.3
101.02441	0.7
102.37831	0.3
113.02429	0.5
120.99680	2.6
121.02956	0.4
131.03473	0.4
133.06601	4.6
135.98349	0.3
137.00638	0.5
146.20627	0.3
150.73460	0.3
159.04570	0.9
161.04495	0.4
177.05502	0.5
177.09187	0.9
190.99840	0.4
201.82722	0.3
203.10886	0.3
206.02220	0.4
221.04877	48.2
221.11882	1.0
221.15302	0.5
222.05167	1.3
225.38303	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59076	0.5
57.03443	2.2
59.01368	2.3
61.98832	5.7
69.03453	0.7
69.63091	3.6
71.01359	0.8
71.05001	1.3
73.02943	1.7
74.99095	2.9
75.00869	1.0
80.98149	0.6
83.05022	1.3
85.02934	0.8
87.02705	1.0
87.04502	1.1
93.03432	0.6
97.06602	2.6
99.08152	1.7
101.06057	1.1
109.06590	4.1
111.08165	0.8
113.09723	0.9
123.08144	2.6
125.09721	4.6
127.07653	2.5
127.11327	0.8
129.09184	1.0
131.05351	1.6
133.06934	28.9
135.08144	1.1
137.09700	1.2
141.09201	5.8
143.10771	25.6
144.04559	1.0
145.05049	0.7
147.00800	0.6
153.09209	2.0
155.10789	3.3
157.07680	2.9
164.93546	0.6
173.11780	2.5
175.04004	0.9
175.07579	1.2
201.11243	0.9
217.10808	1.2
219.06766	1.7
219.12369	100.0
219.17514	44.7
220.10037	1.0
220.12704	3.0
220.17735	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	220.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21181	0.3
59.01384	0.4
61.98824	0.6
69.72794	1.1
69.73209	0.6
76.97160	0.3
86.02486	0.6
87.02743	2.4
131.05367	1.3
133.06935	100.0
134.07318	2.5
166.23381	0.3
220.10126	3.6
220.17894	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0302
Annotation	3-Deoxy-lyxo-heptulosaric acid
Peak:m/z	Relative Intensity
50.49791	1.3
51.27416	1.3
55.01873	3.2
57.03444	2.3
58.02964	2.8
58.70857	1.5
58.99591	3.9
59.01380	46.2
60.11552	1.2
60.99310	11.4
61.98837	1.5
64.95246	27.0
68.49081	1.4
71.01006	2.1
71.01385	33.6
71.52997	1.7
72.00916	1.9
72.99307	100.0
73.02947	15.4
74.99087	4.7
75.00880	12.0
76.98791	2.3
78.95912	15.1
83.01386	5.5
84.04533	2.3
85.02950	16.5
87.00883	19.7
89.02444	12.1
93.04570	3.5
95.01357	2.1
97.02940	2.3
99.00893	5.1
101.02452	22.2
105.01921	5.9
110.07213	4.1
112.98816	2.7
113.02444	12.2
115.00376	19.3
116.01717	1.8
120.99667	3.0
126.98943	1.4
129.01933	2.2
131.03503	7.3
133.01433	25.7
133.03265	2.6
134.02797	3.6
135.04871	21.3
139.00333	2.4
145.01408	8.4
159.03024	2.5
160.96860	1.7
161.04510	7.8
180.06560	1.5
221.04579	2.7
221.06398	7.2
221.18129	1.6
222.04289	1.9
222.08296	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	217.9917
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	44.4
63.20973	0.5
70.42453	1.7
71.01381	14.2
72.99302	9.6
73.98562	0.6
87.00879	1.0
89.02457	2.6
103.98399	13.4
104.98506	0.8
105.46703	0.5
115.00375	43.8
116.00706	1.2
119.97890	38.4
120.97955	1.9
129.02025	0.5
133.01430	88.3
134.01753	1.4
145.99466	1.4
161.98917	0.5
171.97420	0.7
175.96861	100.0
176.96976	5.9
217.97824	7.5
231.81613	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0775
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
57.03449	0.3
58.01526	0.2
59.01376	1.5
59.15907	0.3
60.02313	0.3
61.98829	7.7
66.80453	0.3
68.54424	0.2
69.03468	0.5
69.53471	1.9
70.35904	0.2
71.01373	0.4
72.99312	0.3
73.02909	0.3
74.02471	0.6
74.99130	0.5
75.00899	0.7
78.35822	0.3
78.36315	0.3
78.95897	0.4
83.01479	0.3
85.02950	2.2
85.84362	0.2
86.02478	1.9
88.04068	0.3
92.05053	2.1
104.98503	0.4
109.02937	0.3
110.10200	0.2
116.05107	0.4
119.97884	0.8
120.04555	0.7
120.97955	1.5
121.97642	1.1
128.05031	0.6
130.06606	2.1
131.01701	0.3
131.03780	1.3
132.04550	1.4
134.06117	0.8
143.10753	0.6
144.04547	2.2
146.04868	2.5
157.07707	100.0
158.06117	0.7
158.08063	3.6
172.03967	0.3
175.07455	0.2
175.08768	3.1
175.96806	0.6
176.96959	4.4
177.96635	2.2
201.06676	3.0
201.11295	0.4
204.04297	0.3
218.98093	0.3
219.03085	0.6
219.07784	11.6
219.12379	2.5
219.17526	16.9
220.07880	0.6
220.17848	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	219.0775
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
53.92025	0.9
59.01379	3.6
59.68906	0.8
61.98831	6.7
69.97199	4.8
72.00913	11.1
73.89354	0.8
74.02477	33.5
75.00864	1.2
85.06593	1.0
86.02473	3.8
116.05100	1.9
118.06634	3.9
130.06613	3.1
131.03793	2.6
131.28705	0.9
132.04556	100.0
133.04869	3.9
134.11354	1.0
144.04549	64.6
145.04959	2.9
157.07707	31.0
158.06114	10.3
173.07253	1.3
173.11894	1.0
175.07401	1.4
175.08786	22.5
176.07294	1.3
176.09140	1.1
201.06648	7.4
201.11276	1.9
202.05261	1.4
219.07747	94.6
219.12277	6.7
219.17506	38.2
220.08055	4.6
220.18053	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	215.14
Annotation	L-Valyl-L-valine
Peak:m/z	Relative Intensity
58.02967	2.1
58.71981	0.7
71.30456	1.4
72.00901	2.9
74.02469	9.5
82.02981	10.8
82.06643	1.3
84.04548	22.2
86.02488	4.7
97.06591	1.3
98.02485	0.8
99.00883	2.8
101.07217	1.1
103.95541	0.7
113.47854	0.7
116.03558	2.3
127.05106	2.5
128.03537	20.0
128.10820	3.3
140.10825	1.4
141.10324	7.7
142.12389	1.7
153.09200	3.1
154.12363	1.6
167.11934	7.1
168.08926	1.1
169.09785	0.9
169.13451	9.7
171.10294	1.0
171.15022	10.9
179.07152	0.9
195.11385	2.8
197.08124	2.3
197.12947	88.3
198.13374	3.7
215.00996	3.6
215.09583	3.6
215.13995	100.0
216.14322	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	216.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55221	1.7
58.02973	14.0
59.01379	53.5
60.63089	1.8
61.98824	4.9
69.43272	1.7
69.80393	10.2
71.05013	1.7
72.00886	2.4
72.99310	2.4
79.95725	1.8
80.05074	2.4
82.06625	11.2
87.04526	3.1
93.03475	2.3
96.95998	8.7
97.06614	4.6
98.19985	2.6
99.92596	2.2
119.05061	3.1
124.89146	4.2
128.10832	50.1
130.08751	67.7
144.04538	2.8
154.08644	2.5
172.09793	100.0
173.07140	2.0
173.10056	2.8
174.99269	11.0
199.09752	2.1
216.01202	6.6
216.06801	2.7
216.12437	4.9
217.00021	8.2
217.10770	14.5
224.26616	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	217.1081
Annotation	3-Hydroxysebacic acid
Peak:m/z	Relative Intensity
59.01377	4.5
71.23002	1.1
71.67062	0.4
101.00429	0.4
111.08253	0.4
118.22430	0.5
118.36168	0.5
125.09693	1.7
127.11274	2.4
130.21225	0.5
137.09731	2.8
153.09184	1.4
155.10785	41.4
155.31403	0.5
155.32814	0.5
156.11084	1.7
171.10274	52.7
172.10583	2.2
174.99216	0.9
181.08704	1.1
199.09770	7.3
217.00307	1.0
217.10803	100.0
218.11172	3.3
226.15375	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1192
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
59.01323	7.0
61.98782	2.1
61.99097	0.7
71.01366	1.2
71.37311	1.6
72.99251	0.8
73.04071	13.1
85.02885	0.7
86.79813	0.7
88.04037	1.5
100.54786	0.7
114.09254	1.3
126.14832	0.8
130.08740	85.9
131.09053	2.6
133.01402	2.1
141.10310	1.4
143.11905	22.5
146.08197	1.2
155.11855	2.0
173.04471	0.9
174.99260	1.7
175.96909	1.4
187.10875	100.0
188.11234	3.6
199.10942	1.8
216.98038	1.3
217.00127	1.4
217.11957	41.1
218.12286	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	217.9708
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	41.5
70.14447	1.6
70.14849	1.3
71.01380	11.0
72.99308	5.9
73.02947	53.9
74.03290	0.6
78.25597	0.6
78.95900	0.8
85.02937	0.8
87.00868	1.5
89.02441	1.3
95.76040	0.7
96.45210	0.6
98.20591	0.6
99.00882	6.7
101.98113	0.8
103.27808	0.6
103.98399	8.5
115.00377	27.1
116.00713	0.9
117.01940	100.0
118.02238	1.7
119.97886	22.3
133.01430	57.0
133.05057	1.7
134.01764	1.2
136.12848	0.7
145.06194	1.0
145.99400	0.8
173.98854	0.6
174.04803	1.1
175.96867	55.8
176.96959	3.4
217.96144	0.8
217.97865	4.1
218.03931	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0924
Annotation	Isoketocamphoric acid
Peak:m/z	Relative Intensity
53.67138	0.8
57.01475	0.7
59.01377	2.6
60.96991	0.8
61.98832	1.1
64.54311	0.7
69.03442	1.0
70.50049	2.6
71.01368	1.0
71.05022	1.3
73.02935	1.0
77.30523	0.7
80.94888	0.8
82.06629	0.8
83.05022	1.2
83.58267	0.7
83.64893	0.7
84.04544	1.8
84.08228	0.7
85.19590	0.7
85.80649	0.8
93.07104	13.9
94.07499	1.0
97.06567	1.0
98.20019	0.9
119.04981	0.9
121.06599	100.0
122.06922	3.8
122.89418	3.4
128.13394	0.9
139.07652	30.7
140.08018	1.2
143.61974	0.9
144.00919	6.9
153.09212	51.7
154.09544	2.3
162.19115	0.9
171.10269	46.9
172.08025	1.6
183.06625	24.2
186.89754	1.9
197.08177	0.9
215.00986	38.0
215.07239	1.1
215.09256	10.7
215.12764	7.2
216.01256	1.1
216.06790	1.0
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
58.02989	1.5
59.61794	0.6
61.72469	0.6
61.98808	0.6
68.39767	0.8
71.28152	0.7
71.28458	0.9
71.83316	0.7
72.00897	3.2
72.04543	0.8
74.02475	10.2
78.04249	0.6
82.02976	10.3
82.06622	1.6
84.04548	22.0
85.04867	0.7
86.02489	3.5
87.71864	0.7
97.02885	0.7
97.06565	1.0
99.00886	4.9
101.07241	1.2
114.09243	1.1
116.03570	1.4
127.05136	2.0
128.03531	14.6
128.10802	2.5
135.08154	1.1
137.08110	0.7
140.10831	1.4
141.10345	10.0
142.01582	0.7
142.12326	2.2
144.75916	0.7
153.09201	5.1
154.12395	1.4
160.31042	0.7
167.11909	4.5
168.09052	1.0
168.10304	0.8
169.09801	1.5
169.13457	7.6
171.15022	9.5
172.91034	0.6
195.11377	2.1
197.08159	3.6
197.12944	84.8
198.13254	3.7
215.00963	5.2
215.09554	4.9
215.13992	100.0
216.14362	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	215.0923
Annotation	Decarestrictin N
Peak:m/z	Relative Intensity
55.01862	4.6
57.94489	1.1
59.01361	5.9
61.46609	1.2
65.18522	1.3
69.48820	3.1
69.49244	6.6
70.86282	1.5
71.01336	1.4
71.05019	9.9
73.02973	1.6
83.05029	4.9
87.72402	1.4
95.05020	5.3
97.02950	4.9
97.06591	25.5
98.19823	2.5
99.00878	100.0
99.08144	2.9
100.01262	2.2
103.34391	1.4
110.03739	4.4
114.86762	1.4
117.07116	9.7
123.04543	10.0
125.09706	2.6
127.11290	9.5
133.06627	2.7
135.08156	21.0
142.02696	4.8
153.09212	91.2
154.09517	3.7
171.10277	18.5
179.07137	14.4
197.08179	79.1
198.08505	3.8
215.00887	7.2
215.09225	89.7
216.09554	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	215.0923
Annotation	Isoketocamphoric acid
Peak:m/z	Relative Intensity
53.72077	0.8
58.56521	0.8
59.01379	3.0
63.68611	0.9
69.35217	3.9
69.35631	3.5
71.01398	1.0
71.05020	1.2
72.00909	2.1
97.06592	3.3
99.00888	10.6
119.05016	2.8
123.08296	1.0
125.09698	6.1
126.73066	0.9
127.11290	5.3
135.08195	2.8
143.10783	6.2
144.00908	2.8
153.09233	12.2
154.08704	2.2
171.10266	100.0
172.10658	4.2
173.07167	1.5
197.08171	9.2
215.00993	20.2
215.09241	80.7
216.01320	1.4
216.09659	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	215.0048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53738	0.1
59.01374	1.9
69.91145	0.1
71.01382	2.0
71.51460	0.2
72.99308	89.4
73.99643	0.7
74.99390	0.2
78.95908	0.7
101.00951	3.4
101.97863	0.2
102.01073	0.2
109.01427	0.2
115.00325	0.2
117.00445	14.6
118.00533	0.7
127.02502	1.3
129.00458	0.3
143.01990	0.5
144.99950	0.6
154.91562	0.7
159.01543	0.2
171.01547	0.8
172.99411	100.0
173.99547	6.7
174.99831	0.3
214.35503	0.2
215.00475	8.5
216.00618	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1131
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
51.19275	0.3
56.41769	0.4
57.03442	0.4
59.01381	0.5
59.36554	0.4
65.33197	0.5
69.03455	0.5
97.06603	0.5
107.40617	0.4
108.91359	0.4
116.07178	2.2
147.28093	0.4
151.11278	14.2
152.11626	0.9
169.12332	100.0
170.12666	3.8
195.10191	0.9
213.11304	13.1
213.18648	0.6
214.11586	0.6
214.14388	0.4
229.33414	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97655	0.4
57.03463	0.5
59.01382	0.7
61.98830	1.0
69.03454	0.5
71.46145	0.4
71.47337	0.5
83.05037	0.7
85.02953	0.5
92.77643	0.4
97.02998	0.6
97.06593	1.0
118.92439	0.7
125.09784	0.5
141.51762	0.5
151.11296	13.6
152.11603	0.7
169.12338	100.0
170.12654	4.3
182.75806	0.4
194.99338	0.5
195.10257	1.5
197.99100	0.5
213.11310	16.7
213.14943	2.0
213.18567	1.2
214.11627	0.8
222.99744	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1132
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
57.03450	27.7
57.30893	0.8
59.01371	3.5
61.98820	1.0
69.03460	6.4
69.77865	4.7
71.05014	1.1
76.74606	0.8
83.05026	9.9
85.02987	0.9
85.06606	6.1
87.04469	1.2
97.02950	1.5
97.06542	1.0
98.20576	1.0
99.08154	2.3
101.26074	0.8
111.08154	2.6
122.15659	0.7
125.09730	22.2
127.11352	0.8
133.10237	2.7
151.11285	100.0
152.11632	4.8
153.09200	2.2
155.10794	1.1
167.10738	1.5
169.12340	54.9
170.12668	2.6
172.72685	0.7
185.11835	2.5
194.99370	1.8
195.10309	2.1
213.01454	1.7
213.11311	23.5
213.13242	1.4
213.14883	3.2
213.18541	2.1
214.11667	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1496
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
57.03448	0.9
58.75769	0.5
59.01361	0.7
68.91168	0.5
71.01392	0.7
71.51805	0.5
71.54008	0.6
71.70343	0.5
74.46159	0.5
97.06571	0.5
98.94800	0.5
125.09724	1.2
135.08112	0.5
139.11247	0.6
151.11272	1.6
160.21753	0.5
169.12331	0.9
176.60025	0.6
183.13902	31.5
184.14331	1.1
185.11853	5.3
195.10228	1.1
195.13896	23.3
196.14215	1.1
197.99232	0.8
211.13428	0.9
213.11647	14.1
213.14960	100.0
214.01491	0.7
214.11679	0.6
214.15326	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	213.0769
Annotation	cantharidic acid
Peak:m/z	Relative Intensity
54.64535	1.1
55.01854	2.7
56.49694	1.0
57.03205	1.1
57.03452	15.6
59.01370	5.5
60.99290	1.2
66.42908	0.9
69.03462	8.3
69.42767	2.7
69.43176	5.1
70.54973	0.8
71.01377	5.8
71.05018	15.6
73.09541	0.9
75.26050	1.0
79.91589	1.0
80.02676	1.1
80.35647	1.2
82.02985	2.2
83.05029	2.4
88.72655	1.0
95.05022	16.5
97.02955	2.0
97.06583	37.2
97.07211	1.8
99.04525	3.0
100.04020	1.3
109.06613	2.0
115.03992	2.5
118.45567	1.1
123.04505	1.6
123.08175	9.0
125.09721	13.6
128.03534	1.6
133.06555	3.2
141.05586	1.4
151.06406	2.2
151.07639	36.2
169.08694	100.0
170.08983	3.5
195.06592	3.9
213.07668	54.1
213.14896	1.9
214.08026	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0976
Annotation	(+)-dihydrocanadensolide
Peak:m/z	Relative Intensity
57.03444	8.9
59.01373	4.2
59.45509	1.2
61.98830	9.5
69.03449	1.9
85.02950	1.2
89.07893	1.2
95.01401	4.0
95.03330	1.2
99.00874	3.3
109.06546	2.1
111.08149	7.8
113.44669	1.1
121.02950	2.7
123.00837	2.6
123.08165	8.7
124.04020	2.9
125.02455	1.6
125.04376	3.3
125.09729	37.7
137.02455	2.1
137.09766	6.9
139.07671	10.5
139.11292	15.4
141.09209	6.6
148.01711	1.1
148.46419	1.1
155.10805	9.2
163.03888	1.4
167.10759	5.4
181.05032	1.9
182.80917	1.2
183.10164	2.0
183.13875	4.7
190.51295	1.2
193.08704	1.6
193.12352	2.8
210.95018	1.9
211.09758	100.0
211.13326	43.2
212.10101	3.8
212.13734	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	211.1339
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
57.03430	0.4
58.02679	0.3
59.01368	0.6
61.98826	3.5
67.01891	2.5
69.03464	0.4
69.27982	1.3
69.28416	1.0
73.73666	0.2
82.53563	0.2
83.05023	0.9
85.06577	0.3
91.55439	0.3
94.03019	0.3
95.01382	0.8
95.05016	0.3
97.02946	0.2
97.06577	0.4
99.00892	0.3
106.93568	0.2
123.00838	0.4
123.04511	0.3
123.08154	0.3
124.89554	0.3
125.04411	0.6
125.06157	0.3
125.09721	4.2
139.03967	0.2
142.24992	0.2
155.14436	0.3
167.10695	0.3
167.14418	3.7
183.13898	2.2
193.12286	0.7
210.94989	0.6
211.13388	100.0
211.94835	0.3
212.13762	4.4
214.67877	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.9491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64358	0.2
57.32880	0.2
57.49493	0.2
59.01415	0.2
61.98830	100.0
63.07268	0.2
69.80402	1.2
87.20808	0.2
94.35796	0.2
99.58535	0.2
124.04026	0.3
141.04080	0.4
163.95567	0.5
164.96434	0.3
185.03070	1.8
209.94893	27.3
210.94978	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	209.9491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.5
61.98831	100.0
62.98518	0.2
70.79250	0.4
76.82918	0.2
78.95916	0.4
82.03010	0.2
84.04570	0.2
94.02457	0.2
94.03011	1.2
107.92854	0.2
110.11304	0.2
115.37077	0.2
118.91817	0.2
122.03312	0.4
124.04047	3.5
124.89497	0.5
151.91766	0.3
152.91724	0.4
153.92297	0.8
156.93869	0.3
163.95613	0.4
164.96371	0.5
165.91310	0.3
165.94141	0.6
166.91077	0.5
166.93918	0.3
182.88063	0.4
183.90730	0.4
209.82396	0.2
209.94896	27.1
210.07762	0.5
210.11629	0.2
210.82127	0.3
210.94975	1.7
211.13333	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.9
60.99191	1.3
61.98830	2.7
66.92408	0.4
68.15347	0.4
71.01367	1.3
71.22691	0.9
74.54539	0.4
74.99380	0.6
77.73103	0.4
78.95910	7.2
80.96516	0.7
83.01384	0.9
85.02973	1.8
88.90601	0.4
96.96954	2.0
99.00885	1.2
99.05632	0.5
111.00856	1.4
112.98791	1.7
114.05598	3.8
115.02490	0.5
117.00440	1.4
120.97034	0.5
122.99353	0.5
123.02954	1.0
123.04524	0.4
124.98807	0.5
125.00917	0.5
125.04381	0.6
126.98896	1.7
128.03551	0.9
129.01974	1.0
130.08743	0.7
139.02509	1.5
140.98500	0.5
141.00455	3.2
141.04083	14.0
142.04256	0.6
142.99844	4.9
143.01997	9.1
144.02103	0.6
155.18530	0.4
157.03487	0.9
165.00441	0.8
167.02008	1.1
168.92943	0.6
168.99971	0.7
173.00958	0.9
183.01447	4.6
185.03055	100.0
186.03230	6.6
211.01088	14.1
211.10983	0.8
212.01115	1.4
213.23584	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.9
60.99191	1.3
61.98830	2.7
66.92408	0.4
68.15347	0.4
71.01367	1.3
71.22691	0.9
74.54539	0.4
74.99380	0.6
77.73103	0.4
78.95910	7.2
80.96516	0.7
83.01384	0.9
85.02973	1.8
88.90601	0.4
96.96954	2.0
99.00885	1.2
99.05632	0.5
111.00856	1.4
112.98791	1.7
114.05598	3.8
115.02490	0.5
117.00440	1.4
120.97034	0.5
122.99353	0.5
123.02954	1.0
123.04524	0.4
124.98807	0.5
125.00917	0.5
125.04381	0.6
126.98896	1.7
128.03551	0.9
129.01974	1.0
130.08743	0.7
139.02509	1.5
140.98500	0.5
141.00455	3.2
141.04083	14.0
142.04256	0.6
142.99844	4.9
143.01997	9.1
144.02103	0.6
155.18530	0.4
157.03487	0.9
165.00441	0.8
167.02008	1.1
168.92943	0.6
168.99971	0.7
173.00958	0.9
183.01447	4.6
185.03055	100.0
186.03230	6.6
211.01088	14.1
211.10983	0.8
212.01115	1.4
213.23584	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.9489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28270	0.2
61.98828	100.0
62.48676	0.2
70.34055	0.6
71.30421	0.2
81.60853	0.2
97.08207	0.2
103.41497	0.2
163.95599	0.6
164.96373	0.4
209.94887	34.3
210.94951	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.949
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09290	0.1
59.01360	0.2
61.98828	100.0
62.98542	0.1
69.18694	0.1
70.27648	0.1
90.40996	0.1
93.66596	0.1
94.02983	0.3
124.04035	0.6
144.46782	0.1
156.93996	0.1
163.95598	0.3
164.96478	0.4
166.91138	0.2
209.94887	29.6
210.94939	1.6
211.13393	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1183
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
55.01880	2.9
57.03446	2.6
59.01381	4.4
61.98829	10.3
65.00319	1.3
66.03481	1.8
69.03438	1.4
71.01378	2.0
73.26925	0.6
75.68047	0.8
80.02690	1.5
81.03455	5.2
83.01388	28.5
83.05037	5.1
84.02181	1.8
91.01899	1.4
92.99810	1.7
93.03459	2.4
94.02984	6.6
95.01393	1.5
95.05028	2.4
97.02951	0.8
97.06584	4.7
98.19890	2.0
108.02113	0.9
109.02973	0.9
109.06615	1.1
111.08193	0.9
120.02159	1.1
121.02958	100.0
122.03305	3.0
123.08163	2.3
124.04041	17.2
125.09724	25.5
125.10627	1.6
126.10056	1.0
135.04585	0.8
135.08168	2.1
136.01662	1.3
136.98796	1.4
137.02432	1.0
147.11797	1.4
151.03908	0.8
151.11327	1.4
163.11295	12.9
164.98286	1.9
165.01945	0.8
165.05670	0.8
165.09271	0.8
165.12857	4.3
181.05066	1.1
181.12320	3.3
190.99931	0.8
191.10771	9.6
209.00890	2.8
209.04552	10.6
209.11821	98.5
209.94875	2.8
210.07780	1.8
210.12158	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1182
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
55.30056	0.4
57.03452	2.1
58.25117	0.4
59.01379	100.0
60.01719	0.7
61.56167	0.4
68.60598	0.4
69.84996	1.9
80.02682	1.2
81.03460	0.8
96.96029	1.5
97.06586	1.8
98.20673	0.5
109.06585	2.2
121.02957	2.9
126.75299	0.5
155.04985	0.4
165.12793	3.6
172.23293	0.4
209.08588	1.7
209.11812	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	208.1455
Annotation	Dimethirimol
Peak:m/z	Relative Intensity
59.01368	0.2
67.69434	0.2
69.68719	1.1
72.19673	0.2
72.99317	0.5
76.61326	0.2
80.03803	1.8
81.04581	7.5
91.01881	0.4
93.03440	0.4
93.04567	1.6
94.02995	0.6
95.02500	0.3
110.07243	100.0
111.06925	0.3
111.07594	1.7
114.09251	3.9
120.02206	0.5
121.02962	22.1
135.08171	0.5
136.01659	0.4
137.09726	0.3
147.04556	0.3
149.02496	0.3
165.09224	0.5
178.02249	0.3
191.03537	1.1
193.07440	0.3
208.06110	0.3
208.14552	13.8
208.99065	0.5
209.04547	3.2
209.08218	0.2
209.11804	0.3
209.14903	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1182
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
50.05916	1.8
54.07865	1.7
57.03435	4.7
59.01376	31.4
61.98819	9.0
67.01916	2.1
69.03451	28.8
69.18620	16.9
71.05019	4.8
83.05038	6.7
91.01878	1.9
93.03442	5.4
94.02972	4.8
95.05013	2.1
97.06569	2.0
100.23000	1.8
103.02721	1.9
109.06543	4.1
111.08146	4.9
121.02949	100.0
121.10152	2.6
122.03300	3.2
124.04048	16.0
126.65753	1.9
135.08134	3.2
147.11761	2.3
153.09172	6.7
163.11290	4.2
165.09175	3.8
165.12851	23.0
181.12346	21.6
191.10754	27.8
209.04527	10.5
209.11810	93.0
209.24451	1.7
210.12120	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	206.9744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.4
61.98830	100.0
62.98543	0.3
70.40424	0.3
70.40797	0.4
117.21612	0.2
120.99654	0.2
146.37674	0.2
162.98482	1.3
164.96381	0.2
177.01964	0.4
192.04338	0.3
206.11429	0.2
206.97450	6.5
207.97609	0.4
216.93338	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0615
Annotation	4-Nitrophenyl butyrate
Peak:m/z	Relative Intensity
57.03459	3.8
57.92036	3.8
59.01371	10.1
61.98833	7.0
63.46090	3.5
63.94350	3.6
66.03481	4.3
71.01374	5.8
71.53041	4.2
72.99284	3.1
73.81969	3.5
77.95110	3.2
85.02950	16.3
91.05547	8.0
94.02973	11.7
96.96009	10.4
103.55727	3.4
110.07276	5.7
116.18226	3.3
118.06640	19.7
119.05003	4.5
120.04524	3.3
120.53321	3.5
121.02970	26.9
122.06130	6.4
124.03993	3.8
133.01450	3.4
135.04514	7.3
136.04031	6.3
146.06102	10.4
147.04510	100.0
148.04919	4.2
162.05565	6.8
164.07106	18.6
190.05084	98.3
191.03560	4.6
191.05415	7.9
194.02223	5.0
194.05750	3.8
208.06094	49.3
208.09639	4.9
209.01057	5.0
209.04518	13.4
209.11827	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	206.0822
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
55.27172	0.5
57.62701	0.6
58.02977	34.3
65.35386	0.5
70.02981	12.6
70.40006	2.1
72.00911	5.5
76.83770	0.7
81.46238	0.6
91.05534	15.2
98.19906	0.6
103.05560	2.1
135.04488	1.1
147.04521	39.3
148.04866	1.0
162.09241	0.8
164.07162	100.0
165.07571	3.6
197.68613	0.6
206.08218	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.9744
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35805	0.1
59.70575	0.1
61.98830	100.0
62.98539	0.2
64.56896	0.1
71.51330	0.1
83.25623	0.1
115.42091	0.1
136.76410	0.1
162.98476	1.3
163.09033	0.1
164.96400	0.2
177.01910	0.2
192.04248	0.3
206.97440	6.6
207.06650	0.2
207.97501	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.9744
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88196	0.1
59.01376	0.4
61.98829	100.0
70.40582	0.6
78.95920	0.2
108.93642	0.2
120.99638	0.3
125.63770	0.2
129.01978	0.2
151.27177	0.1
162.98450	1.6
177.01872	0.3
192.04152	0.4
206.95621	0.4
206.97421	6.6
207.06473	0.3
207.97496	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1596
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
53.56723	0.1
55.90848	0.1
59.01369	0.1
62.84464	0.1
68.40335	0.1
70.95289	0.2
72.99322	0.1
75.00852	0.1
115.00423	0.1
164.07193	0.1
189.12865	1.9
205.15964	100.0
206.16302	5.8
209.54958	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	206.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	42.2
59.01421	0.8
62.33930	0.6
64.01918	1.0
64.89618	0.7
69.55580	3.7
70.02982	12.1
72.00907	6.2
91.05537	13.2
98.09583	0.7
103.05532	1.2
108.31970	0.6
108.33585	0.7
135.04556	1.6
147.04521	39.9
148.04875	1.3
162.09206	0.9
164.07166	100.0
165.07523	3.9
206.08220	33.5
206.12630	1.6
207.08482	1.1
225.97472	0.7
228.85046	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	9.5
57.03437	2.5
58.00591	2.9
58.02971	6.3
59.01381	56.9
61.98831	31.7
64.85832	2.2
65.77215	1.8
65.89755	2.3
67.01904	2.2
68.99815	9.2
69.90814	6.6
69.91218	4.2
71.01385	89.2
71.05014	3.0
71.75921	2.1
72.99307	38.3
73.02946	12.4
75.00874	40.9
83.01381	14.2
85.02953	11.8
87.00881	53.2
88.98824	2.6
89.02435	4.7
94.95709	3.7
96.99312	7.9
99.00881	30.1
99.04485	5.0
101.02435	15.0
103.00377	6.0
105.01943	3.1
111.00881	20.6
112.98818	17.7
115.00372	100.0
117.00204	3.0
117.01932	14.1
124.98792	18.6
125.02444	27.0
127.00371	12.9
129.01956	20.9
131.17184	2.5
142.99850	19.3
144.95454	2.3
145.01448	19.4
147.04495	5.5
154.99881	14.5
157.01367	4.0
161.06012	2.6
164.07162	14.0
173.00998	3.1
175.02473	8.9
187.02525	2.9
205.03561	7.4
205.16051	12.2
206.08167	5.2
209.14543	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	205.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11227	2.1
55.01868	6.8
57.03444	5.1
58.02964	6.4
59.01379	81.5
61.45412	2.0
61.98830	78.0
67.01895	2.7
68.99823	14.6
70.05347	10.0
71.01382	95.3
72.99305	55.0
73.02943	12.3
74.41551	2.1
75.00872	38.2
79.82798	2.1
83.01398	11.8
84.54112	2.6
85.02936	6.9
87.00875	53.5
89.02439	6.5
96.99304	7.4
99.00874	33.5
101.02458	12.1
103.00353	7.2
105.01915	7.9
111.00883	36.4
112.98798	17.5
115.00372	100.0
115.48583	1.9
117.00116	5.7
117.01916	15.1
118.03293	5.0
124.98812	17.1
125.02439	6.8
127.00360	11.7
129.01930	14.0
142.99849	24.5
144.95451	3.0
145.01414	17.1
145.33379	2.1
147.02916	2.9
154.99872	15.6
157.01422	2.4
168.90178	2.2
173.00887	7.0
175.02441	7.5
205.03496	3.3
206.63519	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	203.9998
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09546	0.2
59.01378	3.2
60.01714	1.3
61.01806	0.4
61.98831	100.0
66.11954	0.2
69.03463	0.5
70.03796	0.6
71.01348	0.6
72.01743	0.4
72.99318	0.4
78.97028	0.3
80.91676	0.3
82.58858	0.3
88.04059	0.4
94.06648	0.2
97.02963	0.5
98.03294	0.9
98.85616	0.2
115.00433	0.4
204.00262	0.5
204.02405	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	203.9996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15159	0.1
59.01377	5.9
60.01711	2.2
61.01803	0.8
61.98828	100.0
62.98517	0.1
63.58873	0.1
69.21011	0.6
69.21414	0.3
83.12971	0.1
118.35694	0.1
147.06418	0.1
160.03708	0.2
175.28922	0.1
189.07161	0.1
203.99989	0.7
204.02602	0.7
205.15921	0.2
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
59.01381	4.3
60.01713	1.5
61.01809	0.6
61.98830	100.0
71.01369	0.2
71.02357	0.3
83.85891	0.1
143.86484	0.3
160.03755	0.3
174.43616	0.1
203.99945	0.7
204.02734	0.7
205.16115	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	0.2
59.01377	3.3
60.01715	0.8
61.01815	0.2
61.98829	100.0
67.01886	0.3
68.99829	0.3
69.92419	0.7
71.01385	2.1
72.99297	1.1
73.02952	0.7
75.00877	0.9
76.91682	0.1
83.01395	0.4
85.02957	0.5
87.00876	1.4
88.04055	0.3
96.99376	0.1
99.00876	0.7
100.04002	0.2
101.02460	0.4
110.02529	0.2
111.00893	2.5
115.00372	1.8
116.01762	4.8
117.00210	0.2
117.01944	0.5
124.98807	0.3
125.02484	0.4
125.91585	0.1
126.05572	0.2
127.00405	0.3
127.65160	0.1
129.01985	0.5
132.06689	0.1
133.06583	0.2
142.99924	0.4
145.01479	0.3
154.99879	0.7
170.10800	0.1
173.01103	0.2
178.00208	2.5
185.98273	0.2
186.03014	0.1
203.98238	0.5
203.99980	0.6
204.02925	0.5
204.06902	0.3
204.08708	0.3
205.05165	0.2
205.15886	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1288
Annotation	(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol
Peak:m/z	Relative Intensity
57.03447	3.5
57.83102	0.4
59.01387	3.5
61.39801	0.4
61.98818	2.0
65.10320	0.5
69.03456	1.1
71.01374	1.1
71.53980	0.5
71.54364	0.5
72.00913	2.1
73.02964	0.5
74.02476	5.1
75.00864	1.0
75.02812	0.8
80.91689	1.5
85.02960	1.3
87.00896	0.7
87.04506	1.1
90.14937	0.4
97.02938	1.1
97.06587	1.7
99.00874	0.6
99.08160	6.7
103.92026	2.2
104.97776	1.0
107.12578	0.5
112.98810	1.3
116.05063	9.0
119.05037	0.7
127.11288	2.7
130.06633	0.4
130.94351	0.6
131.05052	0.7
132.04425	0.4
139.11252	0.5
140.98334	0.8
141.01915	0.4
142.06706	2.3
143.07112	1.5
146.93916	1.1
148.95419	0.9
155.10760	1.4
157.12317	1.4
159.04546	1.3
159.09314	1.2
161.89281	0.5
167.10585	0.6
168.52451	0.5
173.10164	0.7
175.03975	0.5
176.34128	0.4
185.11862	5.8
186.05669	0.5
201.11337	4.7
202.94174	1.1
203.01955	1.1
203.03479	1.4
203.08344	3.0
203.12875	100.0
204.06656	0.6
204.13197	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0827
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
56.26643	0.6
57.33417	0.6
70.55727	0.9
70.56055	1.4
72.00912	24.2
74.02475	31.0
75.02796	0.7
85.05540	0.7
116.05066	100.0
117.05421	3.9
118.68718	0.6
129.05879	0.8
130.06607	2.8
132.08191	0.9
134.78378	0.6
142.06628	26.9
143.07002	0.8
159.09286	16.0
161.04808	1.2
166.50497	0.7
186.05659	3.1
203.08266	57.5
204.08617	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	203.0826
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
58.57788	0.3
59.01373	3.0
61.98839	0.4
71.02333	0.7
71.02670	0.8
72.00907	23.6
74.02472	33.0
80.91673	0.7
116.05063	100.0
117.05399	2.7
128.05075	0.5
129.05852	0.8
130.06621	3.1
132.08202	0.7
142.06618	27.2
143.06917	1.4
157.07713	0.9
159.04424	0.5
159.07970	1.0
159.09267	16.0
160.09586	0.8
161.04819	0.9
164.21013	0.4
186.05672	3.1
203.08257	52.8
204.08530	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	203.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.0
61.98833	0.8
69.03460	0.9
69.80889	1.2
69.81280	0.9
71.01373	0.7
72.00910	22.7
73.02928	0.9
74.02476	29.5
74.44043	0.4
75.00881	0.4
80.91688	1.8
97.02982	1.0
97.06610	1.0
103.92056	1.5
104.97734	1.3
112.35250	0.5
112.98820	0.9
113.06094	2.5
116.05066	100.0
117.05394	4.2
125.06062	1.7
130.06664	2.8
140.98282	0.6
142.06625	25.9
143.06987	1.3
146.78389	0.5
146.93863	0.7
152.53938	0.4
157.07735	0.8
159.04561	1.1
159.07974	0.9
159.09274	16.6
160.04045	0.9
160.09702	0.6
161.04826	1.4
161.07262	0.5
168.89186	0.5
186.05615	4.0
202.94160	1.1
203.08253	58.4
203.12451	1.1
204.06647	0.7
204.08598	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	203.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	3.0
55.01870	2.7
57.03438	4.4
59.01385	11.4
61.98832	7.7
62.85038	1.3
65.78728	1.4
68.99804	5.1
69.03458	2.6
69.77417	6.5
71.01380	21.3
72.00909	1.9
72.99300	5.7
74.02455	3.1
75.00872	53.2
76.68551	1.6
80.99811	2.9
83.01395	12.5
83.05016	2.4
85.02943	6.2
86.37907	1.5
90.58898	1.4
96.64292	1.3
96.99306	7.2
97.02973	2.4
98.00101	9.3
99.00889	15.2
101.02437	6.8
103.92017	8.1
104.97731	4.7
111.04487	1.9
112.98813	100.0
113.02429	12.7
116.05067	8.2
116.05746	1.6
117.01925	5.0
127.00384	3.3
129.01929	4.8
130.94383	2.8
131.03496	10.7
131.52174	1.5
140.98302	80.9
141.98679	2.1
142.06578	2.8
145.01399	9.1
148.95419	2.4
158.99370	11.1
159.03160	2.1
159.04512	4.1
160.03909	1.3
160.89227	2.5
173.00891	18.4
202.94173	2.4
203.00151	2.6
203.01926	15.3
203.03566	3.7
203.05319	1.5
203.07014	2.6
203.09163	2.7
203.10832	2.9
207.87604	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	201.9844
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.7
61.98828	62.7
69.03441	0.8
70.01407	1.3
71.01372	1.5
73.02946	38.8
73.98609	0.8
74.03299	0.7
74.99396	0.4
75.00856	0.5
83.01402	0.5
83.30466	0.4
85.02953	1.5
87.04527	0.5
97.02944	0.9
98.02479	0.9
99.00876	6.7
100.04089	0.6
101.02460	0.5
103.98402	4.7
107.74133	0.4
114.00482	1.1
115.00352	0.9
117.01940	75.9
118.02280	1.7
119.97918	1.9
128.03549	0.5
129.01935	0.8
129.99960	1.6
133.01430	1.3
141.10361	0.4
142.01389	0.4
145.99428	3.9
157.99429	5.1
158.99593	0.4
161.09253	0.6
173.09290	0.6
173.98941	2.2
176.00499	100.0
177.00639	6.1
183.98503	0.5
185.09390	0.6
201.98412	27.7
202.02625	0.9
202.98578	1.5
203.02017	0.6
203.10446	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.9969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.8
61.98829	55.4
64.19244	0.4
70.47225	1.1
71.01390	1.1
72.99310	0.4
73.02946	43.8
73.98609	0.7
75.00883	0.6
79.74356	0.4
85.02964	0.9
87.04530	0.6
88.04060	0.3
96.04543	0.8
97.02960	0.6
98.02470	0.7
99.00880	6.7
100.04010	0.3
101.02427	0.4
103.98409	3.1
108.39199	0.3
112.67721	0.4
114.00460	0.3
115.00403	0.8
117.01944	100.0
117.72959	0.4
118.02298	1.6
119.97902	0.9
127.28989	0.3
129.01985	0.6
129.99963	0.8
133.01488	1.7
145.99454	2.7
147.87190	0.4
157.99452	3.8
173.98946	1.5
176.00510	67.2
177.00711	3.4
201.98412	18.8
202.98543	1.1
203.01898	0.6
203.10329	0.5
204.14822	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.9844
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	57.5
60.01714	5.5
61.01809	0.4
61.98831	51.5
69.03459	1.1
70.14968	0.7
71.01384	2.2
72.99334	0.4
73.02946	5.1
73.98598	1.0
75.00877	2.0
78.91894	1.4
83.01379	0.8
85.02955	1.2
87.00851	0.3
87.04517	0.6
88.04044	2.4
89.04365	0.5
89.22102	0.3
96.04536	0.5
97.02943	1.6
98.19781	0.4
99.00881	0.9
102.00534	0.3
103.98409	4.1
114.00461	0.6
117.01939	10.2
119.97900	2.1
129.99983	1.4
130.08733	0.3
142.01508	0.6
144.94063	1.1
145.99472	4.5
150.99501	0.3
157.13522	0.4
157.99454	2.6
158.03682	2.1
158.13879	0.4
159.03262	0.4
160.00191	0.3
160.01656	1.1
161.01233	0.4
173.98923	2.0
175.02748	0.4
176.00513	100.0
177.00645	6.2
201.12401	0.6
201.84772	0.4
201.98434	28.0
202.02708	4.6
202.04901	0.6
202.08789	0.3
202.12793	1.2
202.98624	1.7
203.02098	2.3
203.65843	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1132
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
50.48595	0.4
56.37033	0.4
57.03447	7.2
58.24932	0.4
59.01377	1.8
69.03497	0.6
71.05022	0.6
75.57960	0.4
78.91895	1.2
80.14799	0.5
83.05037	0.5
87.88560	0.4
98.19894	1.4
111.08157	6.6
137.09747	2.5
139.11290	100.0
139.73755	0.5
140.11618	2.6
157.12337	1.5
176.29060	0.4
183.10251	43.1
184.10619	1.8
189.86047	0.4
201.11317	72.2
202.11644	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	201.1132
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
51.72273	0.6
51.80041	0.5
52.12158	0.5
53.04865	0.5
53.40768	0.6
55.01876	1.8
57.03447	7.2
58.00576	2.3
59.01378	14.4
61.98821	0.7
68.71680	0.6
69.03454	4.2
69.42583	2.6
69.43009	2.0
71.01369	1.8
71.05019	13.8
73.02922	1.2
78.91885	0.9
79.16976	0.7
83.05033	0.8
85.02946	4.8
87.04512	14.6
93.29117	0.5
96.96014	1.7
97.06564	1.2
98.19945	1.2
99.08118	1.0
101.02455	1.3
111.08136	1.6
113.02433	4.8
121.10239	3.0
123.00859	0.9
123.08178	0.7
125.09707	5.5
127.11281	10.1
128.11725	0.6
130.02686	0.7
131.03479	4.1
137.09714	2.2
139.11279	14.6
140.11626	0.8
141.93729	0.6
144.94029	0.8
153.09187	0.7
155.10756	4.9
157.06540	0.8
165.09195	7.0
171.10292	4.2
173.06026	0.8
183.10242	30.9
184.10612	0.7
199.09749	3.5
201.02271	1.0
201.05507	1.7
201.11311	100.0
201.96126	0.7
202.11705	4.0
215.14197	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1132
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
55.01867	5.2
57.03446	26.4
58.00591	5.7
58.02948	1.4
59.01378	16.2
60.99271	1.3
69.03457	13.6
69.41852	5.1
69.42261	4.4
71.01375	5.0
71.05022	32.7
73.02952	3.8
78.91888	3.9
79.95755	2.0
81.41302	1.2
81.78271	1.6
83.01393	1.5
83.05017	3.5
85.02956	17.6
87.04514	49.4
90.51411	1.4
92.52357	1.4
96.96009	69.6
97.02973	1.7
97.06642	1.5
98.02459	2.9
101.02449	3.0
106.04211	1.5
111.08128	1.3
113.02448	27.7
119.08659	1.9
121.10232	17.2
125.09708	5.4
127.11269	8.6
130.02707	3.0
131.03499	20.4
137.09735	7.6
139.10217	1.8
139.11287	34.6
140.11536	1.6
144.94096	2.8
155.10782	10.9
165.08014	1.5
165.09198	10.3
171.10248	1.9
173.06004	1.6
183.10263	68.8
184.10674	2.8
199.09703	3.5
201.02235	9.0
201.11313	100.0
202.02759	2.3
202.11642	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	201.0769
Annotation	7-Hydroxy-10-deoxyeucommiol
Peak:m/z	Relative Intensity
52.61709	0.6
57.03444	1.9
58.02942	0.9
59.01378	12.3
61.98832	0.8
63.88584	0.7
67.01892	20.9
69.03439	1.2
71.01413	0.9
71.05002	3.2
71.11005	0.8
71.53884	1.0
72.38063	0.7
72.99288	0.6
78.91893	2.7
85.02950	100.0
86.03292	1.7
93.07101	10.5
95.01434	1.0
97.06577	2.5
102.92356	0.8
109.06635	0.7
111.00863	5.1
111.08112	1.6
112.82449	0.7
113.06081	1.9
121.06585	13.1
123.00880	8.4
125.09704	1.8
129.01941	44.6
130.02257	0.8
135.33295	0.7
139.07654	26.9
139.11328	0.8
140.08015	1.1
144.93991	1.0
157.08698	4.3
167.77522	0.7
168.99568	1.3
183.06540	3.5
201.02263	2.2
201.05699	1.5
201.07674	12.4
201.11281	7.1
201.86050	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95852	1.0
54.74730	1.1
57.03446	2.7
58.02974	2.0
59.01377	24.4
67.01885	21.5
68.02194	1.0
69.03459	3.0
69.28130	9.5
70.84679	1.2
71.01398	1.3
71.05022	2.9
71.44431	1.0
78.91895	2.9
85.02948	100.0
86.03275	2.1
87.04524	2.1
93.07092	10.0
95.01385	1.4
97.06571	3.7
101.06098	1.1
102.53190	1.0
110.63451	1.4
111.00888	5.4
111.08158	2.0
113.06069	5.0
115.04030	1.4
121.06612	12.6
123.00886	15.1
129.01942	47.6
129.05429	1.2
139.07639	28.7
139.11314	2.6
140.07968	1.8
148.03917	1.0
157.03592	1.5
157.08694	6.3
159.89319	1.1
164.01251	1.0
168.99614	1.7
173.02519	1.3
183.06731	5.3
183.10301	1.7
201.02251	3.8
201.05602	5.5
201.07657	14.9
201.11334	11.3
201.15031	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	201.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01722	0.5
60.97374	0.3
70.89263	0.8
93.17223	0.3
127.36588	0.3
157.03560	6.2
159.01509	2.0
169.39653	0.3
201.02559	11.5
202.02785	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01701	0.8
60.52777	0.3
61.86503	0.3
61.98830	3.5
70.42818	0.9
71.01395	0.4
82.06622	0.3
88.04041	7.5
92.42825	0.4
97.25764	0.3
111.06457	0.3
111.64325	0.3
113.04638	0.4
114.05556	0.3
115.02594	0.4
140.10876	0.3
157.03555	5.8
157.13487	1.9
158.99741	0.3
159.00238	0.3
159.01498	2.2
175.02797	1.1
176.00557	2.3
201.00714	0.8
201.02547	10.2
201.12466	7.7
201.98439	0.4
202.02727	0.7
205.78099	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56677	0.2
52.99955	0.2
55.23112	0.2
59.01379	100.0
60.01721	0.9
61.98837	1.0
70.34673	0.4
70.35072	0.5
71.01388	0.3
72.99324	0.4
73.02931	0.3
82.03007	0.2
85.02969	0.2
88.04055	0.3
93.35854	0.2
97.03030	0.3
101.02435	0.2
103.92036	1.4
113.04589	0.5
113.64724	0.2
114.05629	0.2
114.98907	0.4
117.00436	0.5
130.08791	0.3
138.79837	0.2
142.41307	0.2
146.97525	0.4
157.03569	5.8
157.13483	0.5
158.97806	0.3
159.01494	2.0
179.97510	0.2
183.07768	0.7
195.86360	0.2
201.02542	12.4
201.12524	1.2
202.02777	0.6
216.67896	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1292
Annotation	2-octanamidoacetic acid
Peak:m/z	Relative Intensity
52.98359	0.3
58.02976	17.1
59.01385	2.2
61.98827	0.4
70.02993	0.4
71.54301	0.6
72.99300	0.6
79.56628	0.3
95.19636	0.3
108.08189	0.7
110.02437	0.3
110.09779	2.3
114.23656	0.3
116.05042	0.4
128.07175	1.3
130.06592	0.8
140.10814	2.7
144.04483	0.3
154.08698	0.7
154.12379	1.1
156.10274	0.8
156.13936	17.7
157.14287	0.8
158.11859	29.7
159.12163	0.7
163.35188	0.3
173.05952	0.5
182.11865	2.0
183.09146	0.5
200.12912	100.0
201.02058	0.4
201.10194	10.6
201.12993	3.7
213.92271	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.134
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
57.03432	0.7
59.01375	1.1
64.92844	0.5
71.01384	0.6
71.05018	0.8
71.53545	0.9
83.01344	0.5
83.05025	0.8
85.02933	0.6
92.99808	0.8
96.35719	0.5
99.00875	1.8
99.04475	0.5
99.08170	0.6
111.00857	1.4
113.02507	0.6
127.00394	0.5
127.04001	1.0
136.98769	0.7
153.12837	0.6
155.10799	1.6
162.83937	2.6
163.11311	1.2
164.83623	2.0
169.12323	6.7
181.12338	22.1
197.11888	2.5
199.13390	100.0
199.16975	3.1
199.80511	1.5
200.13705	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	199.134
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
53.98824	0.2
54.11038	0.2
55.01870	0.3
57.03442	0.5
58.00600	0.4
59.01374	0.6
67.01888	0.3
69.03450	0.5
69.29714	1.6
69.30122	0.6
71.01391	0.6
71.05022	2.2
73.02948	1.0
79.95284	0.2
81.03490	0.3
83.01390	0.3
83.05028	1.0
85.02974	0.5
85.06573	0.3
92.99798	0.5
95.05050	0.3
97.06596	0.5
99.00864	0.6
99.08179	0.3
111.00877	0.3
113.02457	0.6
125.06097	0.4
125.09722	2.8
127.00426	0.4
127.04016	0.5
127.11290	3.0
135.08105	0.3
137.09691	1.1
153.09187	0.6
153.12840	1.2
155.10789	2.9
155.14415	3.2
162.83875	0.4
163.11266	0.3
164.83659	0.5
171.10280	2.7
181.08755	0.6
181.12320	1.1
183.07686	0.3
196.81577	0.3
197.11809	1.0
199.09779	6.7
199.13391	100.0
199.80530	0.6
200.13744	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	199.1339
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
53.96911	0.3
57.03432	0.8
61.98824	0.8
69.03442	0.5
71.05028	1.9
71.17043	0.6
76.16317	0.4
80.76478	0.4
83.05018	0.8
85.02959	0.6
90.88174	0.4
92.99791	0.5
97.06588	0.4
99.00909	1.2
99.08162	1.0
100.93500	0.3
109.52371	0.4
111.00893	1.1
113.02460	0.7
125.09708	2.4
127.00343	0.8
127.03995	0.5
127.11286	3.8
137.09706	0.5
139.44455	0.5
153.12814	1.3
154.99802	0.4
155.10759	1.8
155.14420	0.6
162.83878	2.0
164.83588	1.5
171.10262	0.7
181.12370	1.6
197.11865	1.3
199.13388	100.0
199.16980	2.9
199.80510	1.0
200.13741	3.4
200.17236	0.4
206.21867	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52459	1.4
57.03434	5.2
58.00597	8.2
59.01373	9.7
61.98830	7.7
67.01868	1.6
68.99809	3.2
69.03449	5.8
71.01366	6.4
71.05029	8.1
72.99292	2.6
73.02943	30.2
81.03439	2.9
83.01385	3.2
83.05023	8.3
84.02163	5.7
85.02947	6.4
90.86600	1.8
92.99812	5.3
95.05054	2.2
97.06583	2.6
99.00877	2.8
99.04516	3.8
99.08148	1.9
99.53873	1.7
101.06096	2.6
109.06573	3.8
111.00870	5.4
111.08195	1.9
113.02454	8.6
119.08667	2.8
123.08158	4.1
125.02439	1.6
125.06100	9.1
125.09713	14.4
127.00333	2.0
127.04002	5.7
127.11322	12.1
135.08139	6.2
136.98787	3.3
137.09731	25.1
141.09221	2.6
143.10797	3.7
151.07605	3.6
153.09262	9.3
154.99817	1.7
155.10783	95.2
156.10229	14.7
162.83932	4.5
163.07703	2.4
164.83572	3.5
166.99905	1.8
171.04488	1.9
171.10269	58.0
181.08759	13.9
199.06070	5.2
199.09750	100.0
199.13408	15.7
199.16983	17.5
199.80464	2.2
200.07217	2.0
200.10011	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	199.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52459	1.4
57.03434	5.2
58.00597	8.2
59.01373	9.7
61.98830	7.7
67.01868	1.6
68.99809	3.2
69.03449	5.8
71.01366	6.4
71.05029	8.1
72.99292	2.6
73.02943	30.2
81.03439	2.9
83.01385	3.2
83.05023	8.3
84.02163	5.7
85.02947	6.4
90.86600	1.8
92.99812	5.3
95.05054	2.2
97.06583	2.6
99.00877	2.8
99.04516	3.8
99.08148	1.9
99.53873	1.7
101.06096	2.6
109.06573	3.8
111.00870	5.4
111.08195	1.9
113.02454	8.6
119.08667	2.8
123.08158	4.1
125.02439	1.6
125.06100	9.1
125.09713	14.4
127.00333	2.0
127.04002	5.7
127.11322	12.1
135.08139	6.2
136.98787	3.3
137.09731	25.1
141.09221	2.6
143.10797	3.7
151.07605	3.6
153.09262	9.3
154.99817	1.7
155.10783	95.2
156.10229	14.7
162.83932	4.5
163.07703	2.4
164.83572	3.5
166.99905	1.8
171.04488	1.9
171.10269	58.0
181.08759	13.9
199.06070	5.2
199.09750	100.0
199.13408	15.7
199.16983	17.5
199.80464	2.2
200.07217	2.0
200.10011	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	199.0976
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
57.03442	0.4
59.01384	0.7
61.98830	0.4
67.97505	0.3
69.03447	0.3
69.30643	2.4
71.01370	0.3
71.05040	0.4
73.02946	1.8
83.05029	0.9
85.02929	0.5
91.47485	0.3
92.99809	0.4
99.00890	0.5
99.08141	0.4
101.10532	0.3
109.06631	0.3
109.30647	0.3
111.00868	0.4
111.08111	0.3
113.02452	0.5
117.64173	0.3
127.00388	0.4
135.08163	0.6
137.09724	8.2
138.08655	0.3
155.10783	100.0
156.11127	3.6
162.83923	0.4
163.07501	0.3
164.83705	0.4
170.82423	0.3
171.10298	0.5
181.08765	1.0
189.41461	0.3
199.09760	6.7
199.13394	1.3
199.17024	1.4
199.80496	0.6
209.85420	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72705	0.3
59.01384	0.4
61.98789	0.3
66.75009	0.3
69.50314	2.2
71.01408	0.4
73.02947	3.3
85.02956	0.6
98.19980	0.6
113.02513	0.5
114.57320	0.3
116.51066	0.3
119.88166	0.3
135.08183	1.6
137.09740	8.6
138.10010	0.4
155.10779	100.0
156.11127	3.7
199.06023	0.4
199.09758	6.7
199.13434	0.6
199.17067	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	7.8
61.98532	0.7
61.98833	8.3
62.61459	0.5
66.77431	0.5
70.73092	1.5
71.01385	25.1
71.05011	0.5
73.02954	1.4
74.99384	0.9
110.06134	0.5
111.03028	1.6
113.02493	0.5
117.00441	4.8
117.01923	1.1
127.02528	4.3
128.07233	0.6
129.00446	1.2
129.04091	10.4
131.02017	3.3
153.00475	1.5
155.02017	23.9
156.02145	1.7
156.99922	15.7
158.00101	0.7
171.01509	13.6
173.03053	100.0
174.03188	6.7
199.00989	45.6
199.17090	0.6
200.01089	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	199.0612
Annotation	3-[(1R,2S,5R,6S)-5-Hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]-2-oxopropanoate
Peak:m/z	Relative Intensity
55.01883	9.5
57.03442	1.0
59.01368	2.2
61.98837	1.3
67.01885	1.9
68.99828	0.9
69.03452	1.2
71.05035	3.8
71.53611	1.0
73.02918	0.7
81.03479	0.8
83.01360	1.3
83.05038	1.9
85.02963	1.7
92.99829	1.3
95.05064	1.0
97.02946	0.7
99.00897	0.7
99.04541	1.2
102.94263	0.7
107.82082	0.6
109.06600	2.7
111.00878	3.9
111.08163	100.0
112.08502	2.9
113.02484	4.1
116.07139	0.9
119.05051	0.8
122.03735	8.1
125.02399	0.7
127.04041	3.6
130.08739	0.7
136.98912	0.8
137.06087	25.7
137.09703	1.5
138.06461	1.4
155.07149	16.0
155.10789	2.5
156.89526	0.7
157.07794	1.1
171.86679	0.7
181.05070	6.3
181.08681	1.0
199.06151	8.1
199.09795	4.0
199.13403	3.3
199.17017	5.8
200.09283	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1183
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
52.98134	0.4
54.12326	0.4
56.11728	0.4
57.03431	1.1
59.01358	0.3
61.52795	0.4
66.94225	0.3
69.03460	2.3
69.52337	1.6
69.52753	1.1
71.01401	0.4
71.05018	4.1
80.10000	0.4
83.03217	0.4
83.05035	0.5
99.50320	0.4
123.00938	0.5
123.08184	0.5
124.26433	0.4
125.09724	1.9
126.90462	0.5
137.09741	0.5
151.11302	0.9
153.09126	0.5
153.12845	4.4
162.83926	1.4
169.12402	0.6
171.60942	0.4
179.10744	2.5
182.02184	0.7
197.11826	100.0
197.80815	0.6
198.12155	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	197.1183
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
57.03465	0.3
59.01363	1.2
61.54278	0.3
61.98821	3.2
65.00320	0.4
69.03457	2.0
69.29713	2.2
69.30116	0.6
70.25958	0.3
73.02965	0.3
81.03468	0.5
83.01342	0.3
83.05018	1.0
85.02969	0.6
87.26228	0.3
95.01390	0.8
96.95999	0.3
97.06598	0.7
98.20605	0.7
99.08177	0.5
109.02961	0.5
112.01659	0.3
116.92862	1.4
121.02981	0.7
123.00893	2.5
123.04530	0.3
123.08163	0.8
125.02474	0.6
125.09696	0.7
126.90494	2.5
137.02454	0.7
137.09698	0.6
138.03253	0.6
141.09254	1.6
149.43198	0.4
151.11279	1.3
153.01901	0.5
153.05678	0.5
153.09236	2.0
153.12866	6.8
160.84224	6.8
161.84183	0.5
162.83911	16.1
166.99854	1.6
169.12338	18.7
170.12692	0.7
178.99854	0.8
179.10794	1.5
182.02208	3.4
182.05840	0.4
197.04507	1.0
197.11819	100.0
197.80768	7.6
198.12160	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1183
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
50.26125	0.3
51.13450	0.4
57.15016	0.3
61.98824	0.4
65.45976	0.4
69.03428	0.9
69.40085	0.7
69.40485	2.7
71.05033	1.0
85.42472	0.4
95.05048	0.6
95.15025	0.4
97.06587	15.5
98.06923	0.5
98.19927	0.8
99.08166	5.2
109.02937	0.4
109.06582	0.7
122.03740	2.2
123.00877	1.2
125.09736	1.1
126.03221	1.2
137.09717	2.0
151.11279	1.3
153.12849	100.0
154.13200	2.9
160.84189	1.9
162.83913	4.3
166.99893	0.7
179.10771	21.0
180.11110	0.8
182.02220	1.4
197.02104	0.8
197.11841	7.8
197.80760	2.4
216.16867	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0819
Annotation	cis-2,3-Dihydroxy-2,3-dihydro-p-cumate
Peak:m/z	Relative Intensity
53.68832	0.9
55.01891	0.9
57.03441	1.3
59.01377	5.9
61.98827	1.7
66.03516	1.4
69.03457	1.3
71.01361	1.0
71.05015	3.5
71.54572	0.9
73.02963	1.1
80.02642	1.0
83.05029	1.0
85.02975	2.0
95.01379	2.1
95.05014	1.5
95.14503	0.9
97.02956	6.0
97.06588	1.9
99.00861	5.9
109.02975	2.0
110.03748	2.9
111.04518	9.2
116.92833	1.0
117.07066	6.0
118.05052	0.9
121.02979	2.5
121.49756	0.8
123.00893	5.2
123.04531	9.4
125.02451	1.5
125.09751	1.1
126.90504	6.2
128.03531	0.9
133.06602	1.1
135.04475	0.9
135.08174	12.7
136.89763	1.0
138.03285	1.3
140.01135	1.0
142.02736	5.4
153.01964	1.7
153.05684	2.0
153.09209	100.0
154.09622	4.2
166.99883	4.1
169.12317	2.0
178.99873	2.4
179.03465	0.9
179.07138	10.6
182.02182	10.7
182.05862	1.2
197.04514	3.7
197.08208	43.6
197.09715	1.8
197.11775	17.5
197.80759	1.4
198.08498	2.2
199.33858	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.139
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
50.15974	0.3
61.98833	1.4
69.79876	1.3
70.19266	0.3
83.01329	0.3
87.84357	0.3
98.20095	0.5
98.20638	0.4
109.06588	4.4
111.08159	4.6
122.03716	0.9
123.00871	0.4
125.09723	0.9
135.11792	0.7
138.06856	0.7
150.03235	0.5
160.84229	4.1
165.12651	0.3
167.14420	7.1
168.14799	0.4
179.10777	4.9
180.04355	0.4
180.11424	0.5
195.13896	100.0
195.81104	1.7
196.14226	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	197.0428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63005	1.5
59.01376	3.6
61.98831	100.0
71.52787	1.6
71.53146	1.6
78.95886	1.5
83.39972	1.5
85.02951	2.1
87.85378	1.6
89.01173	1.8
121.02926	2.1
123.00906	2.0
141.00436	2.3
152.03532	2.0
152.88463	1.8
154.05109	3.7
154.08942	1.6
155.01970	2.9
159.72075	1.8
166.99907	2.3
171.01511	2.8
182.02171	7.1
197.04602	2.9
198.07681	2.4
201.81892	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	195.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.1
59.01379	100.0
60.01705	0.6
61.81427	0.4
70.05151	1.6
71.01381	0.6
75.00873	0.6
81.03472	0.7
93.78969	0.4
94.26010	0.5
94.98534	0.5
95.05055	1.7
96.08324	0.4
97.06013	0.7
97.06560	3.9
98.20537	0.8
107.06223	0.6
109.06593	1.2
123.04543	0.5
150.03304	0.8
151.04008	0.7
151.07718	0.7
151.11292	3.1
153.03067	5.5
180.04387	1.3
194.99556	0.5
195.04120	0.7
195.06674	1.7
195.10252	12.0
195.11931	0.8
195.14018	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0561
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
50.67651	0.3
51.09945	0.3
54.28180	0.3
57.03451	1.5
59.01378	3.2
61.94044	0.3
64.31176	0.3
67.01882	1.6
69.03459	0.7
71.01376	2.5
71.10078	0.5
72.99293	0.3
73.02930	1.1
76.87820	0.3
81.03468	0.9
83.05014	1.1
85.02948	28.8
86.03274	0.4
87.00876	12.0
92.95978	0.3
93.03455	7.5
99.04505	1.0
99.18301	0.3
101.06062	0.4
109.02958	2.0
111.00881	16.3
111.04510	2.5
117.01943	0.5
127.04017	5.2
129.01938	1.1
129.05566	0.4
130.99924	0.4
147.29947	0.3
148.94945	0.5
155.03482	0.5
171.02986	1.5
173.00874	0.5
173.04492	2.0
191.05602	100.0
192.05936	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	191.0561
Annotation	Quinic acid
Peak:m/z	Relative Intensity
57.03439	0.5
59.01381	4.2
60.99304	0.3
67.01895	1.5
69.03454	1.1
71.01382	2.2
71.05037	0.2
71.22202	0.3
73.02941	1.2
75.92961	0.2
79.94118	0.2
81.03457	0.8
81.81837	0.2
83.05027	1.3
85.02948	28.1
86.03281	0.3
87.00876	5.9
93.03458	9.6
94.03781	0.2
95.01424	0.2
97.02981	0.3
99.00861	0.5
99.04504	1.4
108.02159	0.2
109.02956	2.7
111.00867	2.0
111.04516	2.9
113.02419	0.3
125.02461	0.3
127.04008	5.5
128.04388	0.2
129.01991	0.4
137.02457	0.5
143.03496	0.3
155.03491	0.4
155.11023	0.2
171.02980	1.4
173.04539	2.2
191.05605	100.0
192.05943	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	191.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.9
59.01375	3.5
65.49997	0.3
67.01884	1.2
69.03449	0.5
70.04898	1.1
71.01372	2.2
72.99287	0.3
73.02942	1.0
73.85201	0.2
80.14899	0.3
81.03463	0.9
83.05018	0.7
85.02951	25.9
86.03289	0.7
87.00336	0.6
87.00872	9.3
87.72958	0.3
92.08944	0.2
92.95998	1.0
93.03455	8.1
95.01405	0.3
98.19980	0.3
99.04522	1.1
103.80968	0.2
109.02975	2.1
111.00885	10.1
111.04523	3.0
113.02470	0.4
115.00414	0.3
127.04016	6.1
127.19543	0.2
127.76383	0.3
128.56859	0.2
129.01932	0.6
133.01431	0.5
137.02394	0.3
148.94968	2.4
165.34789	0.3
171.02980	1.3
173.04572	2.2
191.05605	100.0
192.05937	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	191.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	6.1
59.01373	4.4
66.53076	0.4
67.01885	4.1
69.03462	0.9
71.01384	3.2
71.21092	0.7
72.12205	0.4
72.99306	0.5
73.02969	0.9
78.62965	0.4
81.03464	1.4
83.05022	0.9
85.02950	45.3
86.03284	0.9
87.00874	39.3
93.03454	8.0
99.00834	0.8
99.04519	1.4
101.02481	0.6
101.06016	0.5
109.02953	2.7
111.00880	65.5
111.04523	3.2
112.01221	1.9
112.98809	1.0
123.95518	0.5
127.04000	5.1
129.01964	3.7
130.99892	0.6
137.02451	0.5
148.94969	0.9
154.99883	0.7
171.02962	1.2
173.00894	1.3
173.04524	1.8
185.46049	0.4
191.02029	6.4
191.05606	100.0
192.05969	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.8
59.01374	4.0
67.01891	2.1
69.03455	0.7
69.55038	2.0
71.01374	2.6
72.99277	0.4
73.02943	1.5
76.06170	0.3
77.79412	0.3
81.03455	1.2
83.01406	0.5
83.05038	0.8
85.02950	32.2
86.03282	0.4
87.00873	21.2
88.01204	0.5
93.03462	7.6
95.01440	0.4
98.19982	0.5
99.04501	0.9
101.02426	0.5
104.02682	19.7
105.03036	0.5
107.04923	0.3
109.02926	1.9
111.00880	34.4
111.04498	2.1
112.01228	0.9
120.02181	1.8
123.00895	0.5
127.04014	4.8
129.01942	1.9
130.99817	0.3
147.04486	0.6
148.01665	21.2
149.01971	0.9
155.03485	0.5
160.04036	0.4
163.00310	0.8
171.03038	1.4
173.00926	0.5
173.04564	1.8
176.01143	100.0
177.01489	3.8
177.04338	0.3
191.01959	3.0
191.03554	17.7
191.05611	81.9
192.01215	0.3
192.03827	0.8
192.06033	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	191.0561
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
57.03442	0.9
58.00580	0.2
59.01379	4.2
60.99285	0.3
61.04644	0.2
61.06384	0.2
62.23138	0.2
66.96568	0.2
67.01897	1.2
69.03456	0.6
69.42251	1.4
71.01385	2.7
72.99325	0.3
73.02940	1.1
81.03456	1.3
83.01395	0.3
83.05032	1.4
85.02952	29.0
86.03291	0.5
87.00875	8.9
88.01223	0.2
93.03457	8.3
94.03817	0.2
95.01357	0.3
98.19933	0.4
99.00883	0.3
99.04513	1.4
106.22289	0.2
108.02219	0.2
109.02956	2.2
111.00887	6.3
111.04526	3.1
112.16387	0.2
113.02438	0.4
125.02438	0.3
127.04017	5.0
129.01939	0.5
137.02420	0.4
147.04430	0.2
153.01939	0.3
155.03482	0.5
171.02995	1.6
173.04550	2.2
176.01111	0.4
191.05611	100.0
192.05927	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	191.035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.7
58.52351	0.3
59.01382	4.0
67.01890	1.3
69.03445	0.6
71.01386	1.4
71.54655	0.4
72.99304	0.8
73.02953	0.8
81.03442	0.4
83.05025	0.4
85.02953	21.9
87.00876	20.4
93.03452	3.3
99.04507	0.4
101.02458	0.6
103.89719	0.4
104.02683	18.1
105.02980	0.4
109.02943	1.2
111.00880	35.3
111.04530	0.8
112.01279	0.4
117.01904	0.5
118.99298	0.4
120.02158	1.7
123.00874	0.8
127.04018	2.3
129.01923	1.7
130.25887	0.3
131.03386	0.3
147.04536	1.2
148.01666	21.2
149.02029	0.5
149.06129	0.4
154.99905	0.5
158.00191	0.3
163.03943	0.4
171.02950	0.5
173.00868	0.7
173.04546	0.7
176.01146	100.0
177.01447	4.3
177.04268	0.4
180.00713	0.4
185.28365	0.3
191.01936	3.5
191.03531	19.8
191.05614	36.9
192.03964	0.4
192.06084	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	191.0349
Annotation	Pisonin F
Peak:m/z	Relative Intensity
57.03437	0.9
59.01375	2.0
60.27631	0.2
62.65138	0.2
67.01886	0.3
69.26104	1.2
69.26529	0.6
71.01385	0.4
72.99300	0.2
73.02943	0.4
77.04001	0.2
81.03459	0.2
83.01389	0.3
84.02074	0.2
85.02953	7.3
87.00874	6.2
91.01908	0.3
93.03468	1.3
98.19916	0.4
99.00871	0.2
101.02435	0.4
104.02714	0.3
109.02979	0.4
111.00883	12.8
112.01218	0.3
118.99352	0.3
119.05014	1.4
121.02957	100.0
122.03292	2.8
123.03353	0.3
127.04000	0.7
129.01945	0.9
131.03474	0.3
135.04492	0.3
147.04518	6.7
148.04930	0.2
154.99995	0.2
163.00284	0.3
163.04004	1.1
171.03050	0.2
173.00880	0.2
173.04514	0.3
176.01131	1.4
181.75430	0.2
190.99959	0.3
191.01936	0.8
191.03531	7.6
191.05618	15.0
191.07077	0.7
191.10728	0.4
192.03862	0.6
192.06424	0.5
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	Unknow
Peak:m/z	Relative Intensity
57.03446	6.7
58.00587	0.1
58.03781	0.1
59.01375	2.3
59.93383	0.0
60.99298	0.1
65.03966	0.1
67.01888	3.7
68.02213	0.1
69.03457	0.4
70.65508	0.2
71.01378	1.1
71.05012	0.1
72.99319	0.3
73.02938	0.8
74.61935	0.1
80.58903	0.1
81.03466	0.5
83.01389	0.3
83.05032	0.7
83.69517	0.1
85.02948	41.8
86.03274	0.9
87.00873	52.8
88.01212	0.7
93.03457	4.1
95.01358	0.1
97.02953	0.1
99.00877	0.2
99.04502	0.5
101.02448	0.6
103.03987	0.4
108.02201	0.2
109.02950	1.1
111.00877	100.0
111.04456	1.1
112.01215	2.5
113.02385	0.1
117.01938	0.3
125.02431	0.1
127.03044	0.1
127.04008	2.5
129.01941	5.4
129.05492	0.1
130.02263	0.1
130.99875	0.7
131.53137	0.1
137.02449	0.1
147.02957	0.5
148.94939	0.1
153.02046	0.1
154.99863	0.8
155.03499	0.1
171.02977	0.6
173.00896	1.6
173.04504	1.1
174.01297	0.1
174.04929	0.1
178.66446	0.1
191.01997	8.3
191.05597	44.8
192.02316	0.3
192.05933	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	191.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17680	0.4
55.19707	0.4
57.03449	5.8
59.01376	3.2
59.85394	0.4
65.70615	0.4
66.63904	0.4
67.01888	5.0
70.27000	0.6
70.27400	1.0
71.01380	2.0
72.99341	0.9
73.02965	0.9
81.03469	1.3
83.05052	0.5
85.02950	47.2
86.03284	0.9
87.00874	51.7
88.01205	0.7
93.03453	6.4
99.04515	1.1
101.02468	0.7
101.06080	2.7
103.04061	0.4
109.02953	1.6
111.00880	100.0
111.04512	1.5
112.01239	3.0
115.04014	1.6
127.04003	4.3
129.01947	5.3
129.05583	1.0
130.99890	0.8
154.99840	0.7
171.02980	1.0
173.00858	1.6
173.04523	1.9
190.72670	0.4
191.02013	8.3
191.05602	75.5
192.05968	2.4
194.84891	0.4
200.92485	0.4
212.84438	0.4
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
58.54357	0.1
59.01386	0.2
61.98829	0.2
63.93240	0.1
66.86021	0.1
70.28265	0.2
70.28614	0.5
87.92536	0.3
101.11417	0.1
102.03511	0.6
116.05027	0.3
118.03017	0.2
121.25153	0.2
123.37459	0.1
127.07652	0.3
129.05560	0.3
133.65596	0.2
139.39967	0.1
141.86839	1.2
143.07204	0.2
144.04559	100.0
145.04913	3.8
159.03279	0.9
170.88988	0.2
188.03531	3.6
189.02037	0.2
189.07680	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0768
Annotation	2-hydroxyoctanedioic Acid
Peak:m/z	Relative Intensity
58.71290	0.6
59.01375	3.3
61.98832	1.7
69.03466	1.1
69.95663	2.9
72.99317	0.8
73.02947	0.8
83.01350	0.8
83.05017	1.0
83.56918	0.6
85.88610	0.5
87.00901	0.7
95.05014	1.8
97.06588	12.3
99.08157	8.4
105.60843	0.7
109.06610	6.1
117.03488	0.9
125.06073	8.0
125.27531	0.6
127.00452	0.7
127.07648	50.9
128.07942	0.8
129.05573	3.7
143.07135	57.8
143.86526	2.9
144.04568	2.2
144.07507	1.5
145.02937	1.5
145.04883	3.2
145.06679	0.7
145.08713	2.1
146.02481	0.7
146.06151	0.9
147.04518	0.7
161.02483	1.0
161.87552	1.0
170.88948	2.4
171.06635	3.9
172.04010	1.0
175.02748	5.3
189.07683	100.0
190.05211	0.9
190.08064	2.6
209.07532	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1182
Annotation	Epomediol
Peak:m/z	Relative Intensity
53.06328	0.6
57.03430	0.6
59.01377	37.7
71.01381	3.7
71.05019	5.4
85.06625	1.0
87.04493	1.1
93.55991	0.7
97.06584	0.8
108.67544	0.6
110.37082	0.7
111.08172	1.8
115.04009	100.0
116.04332	1.7
123.08125	1.3
123.16440	0.6
124.42989	0.6
129.42851	0.6
139.11293	1.2
141.09242	1.5
167.10760	14.0
183.10234	2.7
185.03386	1.4
185.11819	67.7
186.12169	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	187.0975
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
51.46592	0.5
53.24191	0.5
57.03446	4.1
57.70753	0.6
82.13657	0.5
82.48137	0.5
83.49270	0.5
95.05002	1.0
97.06589	11.7
101.28611	0.5
109.76347	0.5
119.56925	0.6
120.60252	0.5
122.21022	0.6
122.99077	0.5
123.08179	5.4
125.09724	100.0
126.10073	3.1
136.27000	0.6
143.10776	1.7
169.08679	1.6
186.02727	0.6
187.09747	36.8
188.10100	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1182
Annotation	Epomediol
Peak:m/z	Relative Intensity
52.71852	0.5
52.80352	0.6
57.03427	0.7
59.01370	3.6
59.45847	0.6
60.96019	0.5
61.98841	0.7
68.99794	0.6
69.03440	0.9
69.20190	1.8
69.20613	4.3
71.01367	1.7
73.02931	0.9
76.93838	0.5
83.05029	1.2
85.02943	1.0
97.02961	1.0
97.06609	1.1
100.37584	0.5
100.74773	0.5
111.00945	0.6
112.98803	1.0
113.02450	1.1
113.09692	0.6
123.07252	1.3
123.08157	23.3
124.08466	1.1
125.09709	1.6
127.11298	1.2
129.05475	0.6
137.09717	1.7
137.44287	0.6
139.11293	3.1
141.09216	15.9
141.12820	1.2
146.83556	0.6
149.09688	2.2
155.10776	28.6
156.11069	1.1
167.10771	21.2
168.11198	0.6
175.05270	0.7
185.03458	1.3
185.08340	3.7
185.11815	100.0
186.12195	4.4
187.65446	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1183
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
57.03449	3.1
59.01370	1.0
66.03136	0.5
69.03456	1.2
71.01373	0.7
71.54446	0.9
73.36454	0.4
74.18006	0.5
97.06573	0.6
97.99025	0.4
111.39040	0.5
113.09727	0.7
123.08166	1.4
125.09753	2.5
127.11313	0.8
134.88306	0.5
139.11272	0.5
141.08177	0.5
141.09212	2.0
141.12852	4.9
142.40956	0.5
155.10771	1.8
167.10718	1.2
185.03473	1.1
185.11823	100.0
186.05617	0.6
186.12166	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	185.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22861	0.4
57.03442	1.1
59.01374	0.9
61.98836	0.4
69.03455	4.8
71.05035	1.8
71.54705	0.3
73.02953	1.7
81.03450	0.8
85.02961	0.7
95.04997	0.4
97.02991	0.6
97.06600	1.0
97.26585	0.3
107.04977	0.4
109.06593	7.6
113.06080	0.5
113.09733	9.5
114.62482	0.4
115.04051	0.4
115.07642	4.7
123.04476	0.4
123.08138	2.3
125.02444	0.5
125.09726	3.0
125.32988	0.4
127.11304	0.4
139.07629	0.6
139.87199	0.5
140.89771	0.4
141.09198	2.7
141.12857	1.0
153.05511	0.4
155.10732	0.6
157.08720	1.1
167.03404	0.4
167.10811	1.5
168.10333	0.4
169.93298	0.4
170.01152	0.5
185.01001	0.4
185.03418	1.4
185.11821	100.0
186.05641	0.4
186.12225	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	185.0819
Annotation	cis-2-Carboxycyclohexyl-acetic acid
Peak:m/z	Relative Intensity
51.02359	0.4
51.11613	0.3
52.69999	0.3
57.03456	0.6
59.01386	0.7
60.42200	0.4
61.11242	0.4
65.76244	0.3
68.99846	0.5
69.03444	0.7
69.50814	0.7
69.51225	1.9
71.01402	0.5
80.02681	1.2
83.05021	0.4
85.02951	0.4
96.59350	0.4
97.02937	0.4
97.06616	0.5
97.19133	0.4
107.40163	0.3
113.02446	0.5
113.06152	0.4
123.08166	100.0
124.08492	3.0
124.39814	0.4
125.09737	0.4
127.11269	0.5
139.11290	0.5
141.09221	55.6
142.09550	1.6
149.09668	0.4
155.10811	3.3
163.12764	0.3
163.20140	0.3
167.10796	2.5
185.03461	0.8
185.08192	8.5
185.11815	12.3
185.13480	0.7
185.15387	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0979
Annotation	4-(1-methyl-2-pyrrolidinyl)-3-oxobutanoate
Peak:m/z	Relative Intensity
55.47794	0.8
58.02988	1.2
59.01363	1.2
59.07379	0.8
65.28113	0.7
67.62851	0.8
69.79671	4.7
70.03004	0.8
70.90104	0.8
71.01382	1.2
84.04543	1.5
85.02967	1.2
88.04042	27.7
93.75427	0.9
94.02970	1.6
94.06642	1.0
96.04543	13.6
97.06590	15.5
98.02473	1.2
99.08169	7.3
105.05282	1.0
111.00887	1.1
112.00401	0.9
112.04050	2.9
112.07689	5.6
113.09747	0.9
123.08154	3.5
124.04040	2.5
138.09239	6.0
140.07198	1.9
140.10815	81.8
141.01460	1.5
141.09236	8.5
141.11136	1.6
162.49164	1.0
169.00996	1.8
184.02094	0.9
184.03369	12.0
184.06271	4.5
184.09779	100.0
185.08162	4.8
185.10025	3.1
185.11794	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0615
Annotation	2'-hydroxypyridoxol
Peak:m/z	Relative Intensity
53.05107	0.7
58.02982	0.7
59.01380	49.0
65.51740	0.6
69.03461	1.4
70.02982	2.9
70.03339	2.4
71.01381	12.3
78.95914	1.1
80.05052	0.8
84.04549	11.1
86.59269	0.7
94.02982	5.5
95.05025	1.6
95.44408	0.7
96.00923	1.4
96.04529	1.3
97.01696	5.6
97.06609	0.8
98.02486	1.3
98.06104	1.9
107.87217	0.6
108.04652	0.8
110.02493	2.4
112.04047	100.0
112.07660	3.3
113.02462	2.4
113.04409	1.7
113.06069	1.3
122.06130	8.6
124.04044	71.0
125.02451	1.4
125.04398	1.3
126.05581	0.8
136.04221	0.7
140.07179	30.2
141.07536	0.8
141.09218	1.0
149.97681	0.7
153.03076	0.9
156.32077	0.7
164.73627	0.7
166.05072	4.9
184.03363	4.3
184.06152	57.8
185.06471	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0663
Annotation	cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol
Peak:m/z	Relative Intensity
55.85524	1.0
57.03431	1.3
60.43327	0.8
67.05520	3.0
69.03451	4.2
71.05018	4.0
93.07082	4.7
95.08653	1.4
111.00877	1.2
111.08176	2.2
117.35573	0.9
121.06603	63.8
122.06902	1.5
124.01621	1.9
139.00369	1.0
139.07652	100.0
140.01204	1.8
140.07985	2.3
145.85716	1.0
150.82224	1.1
162.97009	1.0
168.00584	2.3
175.59457	0.9
183.03008	15.1
183.06627	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	183.1388
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
59.01362	1.2
60.03024	0.7
61.46101	0.7
67.01886	1.8
78.66016	0.7
83.01421	1.3
85.02943	1.2
91.87033	0.7
95.01387	1.7
98.02432	1.0
98.20657	2.5
101.39429	0.8
103.08857	0.8
110.00106	1.3
111.00877	8.0
112.00445	0.9
123.00908	1.3
124.01645	4.5
127.00385	2.9
136.98814	4.6
139.00374	7.8
140.01149	10.0
151.00380	1.4
164.98265	1.1
168.00630	14.2
183.00415	2.0
183.02980	72.5
183.13892	100.0
184.03372	3.3
184.14250	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	183.0046
Annotation	2,4-DINITROPHENOL
Peak:m/z	Relative Intensity
51.02375	0.4
57.03444	0.5
58.82627	0.3
59.01367	0.5
64.01920	0.7
65.00322	0.8
66.01094	0.4
67.01894	3.4
68.01413	0.3
68.99830	1.4
69.03448	1.2
71.01382	0.6
71.05016	0.5
71.11275	0.3
72.99285	0.8
79.01890	0.6
83.01388	1.1
83.05025	0.5
87.00875	0.4
95.01390	11.4
96.99310	0.3
97.02914	0.6
97.06557	0.3
98.19843	0.6
99.00916	0.7
108.00898	0.3
109.01723	1.4
109.02934	0.4
110.00086	0.8
110.33693	0.3
111.00885	6.6
111.04487	0.4
112.00403	0.3
120.00895	0.4
121.06580	0.3
123.00893	25.6
123.08135	0.5
124.01742	2.4
125.01199	2.0
127.00378	1.9
136.97818	0.3
136.98810	3.8
137.01117	0.7
137.09735	0.6
139.00371	5.5
139.04001	0.8
139.07663	0.4
139.11313	1.8
140.01163	8.6
141.05418	0.3
148.16530	0.3
148.79333	0.3
151.00349	0.4
153.00684	21.5
154.99797	1.0
165.01924	0.5
168.00645	9.7
181.64505	0.4
183.00446	100.0
183.02954	56.1
183.06512	1.1
183.10245	5.0
183.13873	3.0
184.00844	2.5
184.03264	1.9
184.06087	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1234
Annotation	1-Methoxy-3-myodesertene
Peak:m/z	Relative Intensity
57.03426	1.0
59.01109	1.3
59.01379	16.8
65.00340	1.9
69.94183	0.8
71.01384	7.3
71.28493	1.1
71.28841	1.5
73.02946	1.8
79.75579	0.8
83.05027	1.7
86.30482	0.8
87.00866	1.3
89.02438	5.0
93.03466	3.2
97.02941	2.5
101.02435	7.2
109.02994	1.2
110.54604	0.9
123.00880	1.1
137.06136	0.8
139.03976	1.0
151.00458	1.3
153.01912	2.1
161.09776	1.1
163.11285	8.2
164.11481	0.8
166.02736	2.6
180.81258	0.9
181.01495	0.9
181.05103	1.5
181.07222	4.6
181.12341	100.0
182.12697	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	182.0458
Annotation	4-Pyridoxic acid
Peak:m/z	Relative Intensity
59.01379	0.4
61.47887	0.2
61.98831	26.3
69.03449	0.6
70.08553	0.6
70.08937	0.6
78.95911	1.7
79.95740	0.6
80.05096	0.3
82.03005	0.4
83.05012	0.4
84.04556	0.3
92.05058	4.0
94.02976	1.7
96.00943	0.3
96.04572	1.4
96.96021	1.1
97.00314	0.3
108.04557	56.1
109.04876	1.5
110.02476	0.4
110.06123	1.1
111.00886	0.6
111.04533	0.7
120.04563	5.5
122.02463	1.4
123.00887	0.9
123.03249	0.8
124.01618	0.3
126.98929	0.3
127.00320	0.3
136.04028	1.0
136.07710	0.5
136.93948	0.5
137.96336	0.4
138.05609	100.0
139.00412	0.7
139.05988	3.0
140.01155	1.1
152.03526	1.0
157.03697	0.5
166.99910	0.4
168.00639	1.1
181.95239	0.4
182.04573	22.6
182.08051	0.6
182.93011	5.2
183.01396	0.5
183.02989	6.1
183.04843	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0541
Annotation	Diisopropyl sulfate
Peak:m/z	Relative Intensity
55.90561	0.2
57.03444	0.2
59.01374	1.3
61.98820	0.3
65.00308	0.4
71.01376	1.6
73.02944	0.5
79.95732	2.3
89.02458	1.1
93.03463	0.5
94.22176	0.2
95.95241	0.4
96.96010	100.0
97.02928	0.4
97.95967	0.3
99.08171	0.4
101.02436	2.1
109.02942	0.5
113.02435	0.2
119.03493	0.3
119.04953	0.2
136.98753	0.2
137.02438	0.3
137.06090	0.2
137.09743	0.3
151.00392	1.0
153.01906	0.4
157.46744	0.2
166.02718	1.7
181.05397	47.2
182.05655	0.9
185.63600	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.4
57.03433	0.5
59.01376	3.9
63.02380	0.3
67.01887	0.2
68.99781	0.2
69.03460	0.9
69.29950	1.1
69.30359	0.3
71.01380	5.0
72.99297	0.2
73.02947	2.1
74.70263	0.2
75.00858	0.6
79.01880	0.2
79.95738	2.9
81.03474	0.2
83.01395	1.2
85.02948	3.7
87.00874	16.4
88.01232	0.4
89.02440	1.2
94.02980	0.3
95.01370	0.5
96.96008	100.0
97.02949	1.7
97.95989	0.2
99.00879	4.8
101.02438	1.7
107.01385	0.6
109.02952	0.3
109.28822	0.2
111.00871	0.2
113.02428	0.7
117.01933	3.2
121.02926	0.4
125.02429	2.3
129.01929	0.6
135.02760	0.6
135.04501	1.1
136.07674	0.2
141.01939	1.6
147.02991	0.2
151.00380	0.8
151.03960	0.2
159.03003	1.2
161.04544	8.1
162.04897	0.2
164.01158	0.3
164.04796	0.6
177.04074	0.4
178.99841	0.5
179.03822	8.7
179.05612	9.5
179.07021	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0666
Annotation	L-Tyrosine
Peak:m/z	Relative Intensity
70.11012	2.4
72.00911	42.8
74.02487	4.8
79.92233	0.8
85.41739	0.8
89.72747	0.7
93.03460	31.2
106.04242	3.8
107.05025	2.8
108.02177	1.2
110.47418	0.8
110.93491	0.8
119.05024	91.3
120.05369	2.6
134.06128	3.3
135.04489	1.4
136.07666	1.7
156.73897	0.9
162.05626	1.3
163.04007	100.0
164.04366	3.7
180.06660	99.6
181.06995	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	177.0194
Annotation	Daphnetin
Peak:m/z	Relative Intensity
59.01377	0.3
70.09943	1.0
70.10315	0.3
71.01386	0.3
72.00938	0.2
77.03970	1.4
81.03458	2.4
87.00900	0.3
89.03971	10.9
90.04301	0.4
93.03466	1.5
95.05032	1.1
105.03463	16.6
106.03806	0.4
107.01401	1.0
109.02946	0.6
117.27384	0.2
121.02964	1.5
129.01920	0.3
133.02960	32.6
134.03308	1.0
135.00839	0.4
139.03976	0.5
149.02446	5.4
162.03212	1.4
177.01929	100.0
178.02281	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	178.9507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.9
61.98836	0.6
69.75397	1.0
69.75813	0.5
87.00872	1.3
99.00860	0.3
119.93726	1.0
134.96092	53.1
135.96155	2.9
136.94011	100.0
137.37122	0.2
137.94073	5.9
149.05545	0.2
151.92717	17.2
152.92821	1.0
161.04556	0.7
164.04677	0.2
178.95062	62.7
179.05615	0.5
179.95175	3.5
196.96104	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.0
61.17373	0.2
61.98809	0.2
65.00317	0.3
65.62358	0.2
68.99812	0.3
69.03454	0.3
70.10062	0.8
70.63195	0.2
71.01384	0.8
75.00866	0.2
77.03963	1.1
81.03466	2.3
86.78285	0.2
87.00863	0.4
89.03973	9.7
90.04292	0.3
93.03451	1.8
95.01348	0.2
95.05028	1.3
104.02647	0.3
105.03466	15.8
106.03820	0.7
107.01421	1.1
109.02959	0.5
116.47533	0.3
117.03484	0.4
119.01418	0.3
121.02982	1.4
123.04451	0.3
129.01932	0.3
133.02962	28.9
133.06593	0.6
134.03511	0.7
135.00813	0.5
139.04034	0.7
149.02466	5.2
149.06053	0.3
161.02490	0.4
162.03230	10.5
163.03526	0.4
167.99606	0.2
177.01930	100.0
178.02318	3.8
178.05017	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.9686
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.4
59.01374	2.8
61.98829	100.0
65.66240	0.3
71.01393	1.5
71.50726	0.3
72.00900	0.7
72.99307	11.7
73.02937	0.3
73.98596	0.8
74.99126	0.4
75.00890	0.8
78.40232	0.3
85.02956	0.3
87.00429	0.4
87.00862	2.0
87.04539	0.5
88.04058	0.3
98.02409	0.4
99.00886	0.5
103.00375	0.9
103.98409	1.7
109.73579	0.3
113.52903	0.3
114.93591	0.3
115.00339	0.6
115.04050	0.3
118.05074	0.8
119.97890	50.6
120.97960	3.0
121.04025	0.3
129.01903	0.5
133.02956	0.8
133.08681	0.6
146.04663	0.4
147.97470	0.6
159.03018	0.4
175.96872	3.0
175.99571	0.3
176.03528	1.0
176.09332	0.6
177.01918	1.3
177.07722	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0611
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
57.03444	1.6
59.01379	9.9
61.98840	2.9
69.03474	0.6
71.01384	4.8
71.05043	0.6
71.51585	0.8
72.99305	19.5
75.00877	0.8
82.43203	0.6
85.02959	0.9
85.06589	47.2
86.06914	1.2
87.00881	4.3
87.04524	1.7
88.04052	0.8
96.99317	0.7
100.98812	1.0
101.02439	0.8
101.06080	1.9
113.06088	48.6
114.06417	1.5
115.00388	3.9
115.04012	100.0
116.04353	1.6
117.01963	1.0
119.97890	1.2
124.98817	1.9
127.97457	0.7
129.05577	1.6
131.07150	8.8
132.03032	1.2
132.08633	0.9
157.05057	11.6
158.05434	0.5
172.75809	0.6
174.88992	1.2
175.06113	48.3
176.06493	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0612
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
53.24869	0.4
56.43243	0.4
57.03443	1.3
59.01379	4.4
70.01437	2.1
71.05023	0.6
76.90726	0.4
80.35149	0.4
85.06592	41.0
86.06927	0.7
87.04519	1.8
107.35739	0.4
113.06091	39.2
114.06438	1.2
115.04013	100.0
116.04383	2.2
118.95997	0.4
129.04671	0.4
129.05592	2.0
129.09239	0.7
131.07147	7.1
151.90721	0.4
157.05060	7.4
174.88980	1.0
175.06113	42.9
176.06476	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0248
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40513	7.5
59.01378	77.0
61.98831	8.1
62.80222	6.8
67.03776	8.0
68.99815	9.9
70.18550	25.6
71.01388	59.9
72.99297	19.6
78.15925	8.1
85.06587	29.8
87.00869	37.9
87.92708	6.5
91.59726	7.2
96.99300	10.3
100.98811	83.8
113.06080	22.6
115.00379	55.2
115.03998	43.2
124.98817	23.6
127.97523	100.0
135.24129	6.8
142.99815	16.4
148.98607	52.3
174.82851	18.9
174.96494	14.5
175.02473	8.9
175.06117	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1183
Annotation	2-hydroxynonanoic acid
Peak:m/z	Relative Intensity
55.26437	0.3
59.01363	0.5
65.21605	0.4
67.01882	2.7
69.14772	0.6
69.15179	2.9
71.01360	1.0
73.02940	0.6
93.03453	9.4
94.03820	0.5
98.19868	0.7
108.65898	0.4
111.00904	0.5
111.04523	0.9
111.08179	0.6
125.09762	0.5
127.10352	0.7
127.11285	12.9
128.11554	0.4
148.57022	0.3
155.10780	2.5
171.10277	1.0
173.04547	1.3
173.11823	100.0
174.12183	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	173.0091
Annotation	L-dehydro-ascorbate
Peak:m/z	Relative Intensity
52.85757	1.4
53.03592	1.6
57.03439	4.1
58.00591	2.3
59.01376	13.0
60.99301	5.6
61.02940	4.4
61.98831	3.8
67.01896	26.8
68.99816	17.3
69.03459	4.4
69.96983	5.7
71.01387	10.1
72.99310	31.5
73.02943	47.3
73.03359	2.4
75.00869	37.7
77.22408	1.3
81.03464	3.0
82.61610	1.4
83.01379	1.8
83.05035	5.2
84.94707	1.4
84.99305	3.8
85.02954	4.8
89.02438	12.7
93.03458	100.0
94.03795	2.8
96.99281	2.9
99.00878	5.2
99.04547	1.5
101.02437	16.4
109.02918	2.0
111.00900	10.0
111.04517	15.3
111.08156	5.3
112.98808	72.7
117.01937	19.0
129.01930	2.3
131.07419	1.7
131.08244	10.6
134.47519	1.5
136.94025	1.5
137.02440	3.2
140.98280	7.4
145.01424	95.2
172.83031	6.7
173.00906	17.7
173.04539	10.3
173.05972	3.0
173.08176	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	173.0818
Annotation	Suberic acid
Peak:m/z	Relative Intensity
57.03447	5.2
59.01381	0.5
64.18818	0.3
67.01884	1.7
69.03466	0.8
69.18337	0.9
69.18763	2.3
71.01375	0.7
81.03462	0.9
82.65425	0.3
83.05024	14.4
93.03458	6.6
99.00858	0.4
99.10264	0.3
109.06597	4.4
111.00835	0.3
111.04527	0.9
111.08160	100.0
112.08494	2.8
129.09213	5.5
130.06599	0.4
135.87341	0.3
155.07117	0.9
173.08183	31.0
174.08522	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	173.0092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09240	1.3
57.03437	3.8
59.01379	16.0
60.99305	5.7
61.02938	1.9
61.98819	5.3
65.03956	1.7
67.01891	25.1
67.02235	2.7
68.99521	1.5
68.99821	14.9
69.03451	6.6
71.01375	13.1
71.32673	2.8
72.99305	23.9
73.02943	42.9
75.00867	36.9
75.08353	1.7
81.03447	2.3
83.05017	6.4
84.99311	1.4
85.02947	5.4
89.02434	11.3
93.03455	100.0
94.03754	1.6
96.99325	3.4
99.00871	6.4
99.04542	2.0
101.02440	12.3
109.02969	2.9
111.00876	10.6
111.04509	13.1
111.08158	6.8
112.98808	61.7
117.01933	15.3
124.53310	1.7
129.01892	2.9
129.11182	2.9
130.06662	1.9
131.08266	9.3
131.09126	2.2
133.30447	1.3
137.02461	2.0
140.98274	6.1
142.99773	2.3
145.01427	93.0
146.01692	2.4
172.83020	4.7
173.00937	18.1
173.02390	2.4
173.04555	11.8
173.08151	4.5
173.10210	1.6
173.11784	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	173.0091
Annotation	L-dehydro-ascorbate
Peak:m/z	Relative Intensity
53.00301	4.0
55.01880	7.2
57.03443	4.3
58.02977	1.8
59.01376	9.5
65.03959	1.6
66.05566	0.8
67.01898	5.5
68.99813	2.9
69.03442	1.3
70.67010	2.2
70.67350	1.1
71.01382	98.7
71.04987	1.2
72.01722	2.1
72.99310	16.5
73.02948	19.3
74.99405	0.9
75.00877	1.6
79.40032	1.0
80.99824	2.7
81.03436	2.0
83.01395	8.0
83.05030	6.1
84.04543	1.0
85.02943	10.5
86.06121	2.3
87.00871	6.1
93.03458	36.6
94.03807	1.2
96.99333	6.4
99.00880	32.8
99.04530	4.7
101.02435	2.1
109.02973	0.9
111.00875	27.5
111.04528	10.9
111.08135	1.4
112.98808	33.6
115.00392	7.4
117.00413	2.1
119.00239	1.6
124.98808	35.7
129.01938	3.2
130.05112	1.8
131.08258	26.2
131.09061	1.2
137.02467	6.4
140.98299	3.3
142.99861	100.0
143.03500	1.7
144.00200	1.8
154.99954	1.2
155.03494	1.4
173.00883	12.2
173.04558	5.1
173.06085	0.9
180.51370	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0979
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
54.14266	0.3
57.03434	0.6
58.02958	1.5
59.01365	0.6
60.99303	1.0
67.01888	5.2
69.03445	0.7
69.45964	2.6
71.01377	1.6
72.99307	0.5
73.02925	1.7
81.03451	0.5
83.05018	1.0
85.02962	0.7
93.03458	18.6
93.20592	0.4
98.19899	0.6
99.00883	0.8
99.04523	1.3
99.92580	0.8
111.00878	1.6
111.04506	2.6
111.08173	2.6
112.04050	0.7
116.05059	2.5
124.64194	0.3
127.07658	0.5
128.08003	2.2
128.10818	2.7
130.08733	100.0
131.09074	2.5
133.68210	0.3
137.02466	0.4
144.04547	14.0
145.01437	0.6
145.04907	0.5
147.15590	0.4
162.05634	1.0
172.04062	3.4
172.06178	2.3
172.09723	10.9
173.04559	2.9
173.08292	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	4.0
55.01881	8.4
57.03450	5.0
58.00594	1.2
58.02990	2.2
59.01377	10.4
61.98825	7.3
65.03947	1.3
67.01584	1.0
67.01890	7.8
68.82222	0.8
68.99809	4.6
69.03445	1.1
69.42751	6.0
71.01381	94.3
72.01720	2.2
72.99308	29.0
73.02943	20.5
74.02465	1.3
75.00912	1.1
79.35629	0.9
80.99822	3.4
81.03457	2.4
83.01394	9.0
83.05035	5.5
85.02946	19.3
85.06550	1.1
86.06095	1.3
87.00864	7.4
93.03457	50.0
96.04550	0.9
96.98763	1.4
96.99300	7.3
97.02960	1.1
99.00265	1.9
99.00881	29.3
99.04502	5.3
101.00926	2.0
101.02459	2.3
109.02929	2.4
111.00883	28.7
111.04516	14.6
111.05233	1.3
111.08143	1.6
112.04040	1.4
112.98180	0.7
112.98808	27.2
115.00368	8.7
117.00441	3.9
124.98807	34.2
129.01930	5.4
129.10344	1.0
130.05035	1.0
130.98375	3.0
131.08261	47.7
137.02452	7.0
138.05573	1.4
140.98332	4.2
142.99861	100.0
144.00206	1.8
153.19017	1.0
154.99864	2.9
155.03496	4.0
172.97931	1.0
172.99387	5.0
173.00916	8.8
173.04556	16.8
173.06120	1.4
173.06729	0.8
173.08044	1.7
173.09334	3.4
174.07661	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	172.098
Annotation	ACEXAMIC ACID
Peak:m/z	Relative Intensity
57.54409	0.9
58.02976	24.5
59.01385	6.2
65.01198	0.7
67.01894	4.9
68.82750	0.7
71.01378	1.6
71.52530	0.9
73.02934	0.8
80.05068	3.7
81.99214	0.7
82.06625	19.2
83.90630	0.7
86.02485	0.8
87.04500	1.3
89.30264	0.8
93.03457	16.3
99.00867	1.0
99.04520	2.3
102.26913	0.8
109.71618	0.8
111.00877	1.4
111.04523	2.0
112.07675	1.8
112.98802	1.3
113.06059	0.8
115.25436	0.7
116.05059	1.8
126.05598	1.0
128.10820	95.5
129.11171	3.0
130.08742	92.8
131.09055	1.4
144.04535	11.1
145.03027	0.9
154.08714	1.1
162.05475	0.9
172.04028	3.0
172.06137	3.4
172.09790	100.0
173.04521	1.5
173.10152	2.8
174.24413	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65977	0.3
57.03471	0.9
58.00614	0.2
58.02978	1.8
59.01400	0.9
60.99317	0.6
61.98823	0.3
65.03991	0.3
67.01888	6.0
69.03438	1.4
71.01380	2.0
71.52791	0.4
72.00928	0.4
72.99335	1.0
73.02953	1.4
74.02470	2.9
75.00900	0.5
81.03484	0.7
82.06629	0.7
83.05049	1.0
84.04552	0.3
85.02986	1.1
86.02506	0.3
87.00842	0.3
88.04046	0.3
93.03457	23.0
99.00891	1.0
99.04520	1.5
99.92605	0.8
109.02944	0.5
109.06609	0.3
110.06982	0.3
111.00881	2.3
111.04526	3.1
111.08146	2.6
112.04054	0.9
112.98824	0.7
116.05068	3.3
127.07684	0.5
128.03548	0.3
128.07201	0.3
128.08000	1.6
128.10815	3.1
129.09225	0.3
130.08740	100.0
131.03937	0.3
131.08415	0.2
131.09113	2.4
137.02429	0.7
141.01202	0.2
142.05118	0.2
144.04553	18.8
145.01407	0.7
145.02965	0.4
145.04863	0.9
154.99821	0.4
155.03485	0.4
162.05586	0.9
172.04034	4.2
172.06175	2.4
172.09755	11.0
172.14272	0.4
173.00836	0.3
173.02281	0.4
173.04529	4.3
173.08194	0.4
173.10126	0.4
173.11838	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0616
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
54.52001	1.0
55.01874	2.6
57.03448	9.2
58.00591	2.4
58.02974	14.6
59.01379	29.6
60.40088	1.0
60.99302	2.6
61.98820	8.3
65.03966	1.0
66.03481	2.4
67.01891	22.0
68.01419	1.1
68.99829	2.7
69.03452	5.1
70.01953	3.8
70.02306	1.9
70.02983	7.6
71.01382	45.5
71.01781	2.2
71.05017	1.7
72.00915	13.0
72.01726	1.1
72.04551	3.2
72.99308	71.1
73.02950	20.4
74.02475	43.8
74.99380	2.8
75.00885	3.1
80.05055	1.5
80.76148	0.9
81.03451	6.7
82.02982	2.8
82.06628	4.8
83.01394	5.4
83.05023	9.1
84.04545	31.4
85.02949	17.6
85.06593	1.5
86.02475	8.7
86.06100	2.0
87.00871	3.2
88.04050	3.1
93.03458	100.0
94.02991	3.0
96.00923	13.2
96.99306	4.9
98.02473	14.8
98.20551	1.2
99.00879	12.8
99.04518	28.5
100.04034	2.1
100.07686	7.8
101.00924	2.4
101.02437	1.9
103.92097	1.9
109.02968	2.1
110.02481	2.8
110.06100	5.5
110.09703	1.1
111.00883	54.6
111.04513	24.2
111.08170	3.3
112.04044	50.8
112.98811	7.4
114.05611	3.0
115.00372	3.4
115.02552	1.4
116.03545	11.9
117.00433	14.7
118.00496	2.5
119.00186	2.1
119.97888	3.6
124.98798	7.6
126.05596	1.3
127.03973	1.1
128.03546	2.9
128.05084	8.2
128.07166	11.2
128.10823	37.0
129.01924	5.6
129.05551	1.2
130.05101	64.6
130.08742	34.8
130.98375	8.5
131.02032	1.2
131.05487	2.3
131.08261	40.4
134.04744	9.9
134.86522	1.7
137.02472	7.7
137.32816	0.9
140.98271	1.1
142.05103	2.3
142.99866	15.0
143.97897	1.0
144.04601	1.8
144.06700	1.3
145.01630	1.1
154.05069	2.7
154.99890	3.0
155.03519	4.4
159.01529	3.8
170.69684	1.3
171.83388	5.5
171.97330	11.0
172.03979	4.0
172.06166	57.8
172.09738	34.3
172.14157	1.1
172.83061	96.7
172.97845	1.9
172.99425	12.5
173.00945	3.9
173.04568	13.0
173.06149	1.7
173.08173	2.3
173.10440	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	172.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.3
57.03450	8.8
58.00593	2.7
58.02978	13.8
59.01381	27.9
60.99308	2.4
61.98828	6.3
66.03494	2.5
67.01530	1.0
67.01894	20.3
68.01392	2.2
68.99812	2.1
69.03452	4.2
70.00956	4.6
70.02980	6.4
71.01386	43.7
71.01780	2.2
71.05038	2.1
72.00911	14.4
72.01678	1.0
72.04576	1.9
72.99310	59.6
73.02524	0.6
73.02943	30.2
74.02476	34.7
74.99387	2.3
75.00869	3.1
80.05064	2.1
81.03450	6.8
82.02985	3.1
82.06624	4.8
83.01370	4.7
83.05029	8.9
84.04552	25.2
85.02950	16.5
86.02480	9.2
86.06140	2.7
87.00869	3.4
88.04044	3.9
93.03461	85.7
94.02997	2.6
96.00906	10.4
96.99314	6.1
98.02477	14.0
98.06154	1.3
98.20598	1.2
99.00889	13.9
99.04526	27.1
100.07689	6.6
101.00948	2.5
101.02438	2.2
103.92034	1.6
103.98394	2.3
109.02937	1.7
110.02493	2.5
110.06121	5.4
110.09734	1.6
111.00883	52.0
111.04528	20.6
111.08185	2.8
112.04049	47.2
112.07620	1.1
112.98811	7.8
113.02450	1.5
113.04366	1.3
114.05597	1.9
115.00382	3.3
116.03542	8.8
117.00446	11.0
118.00610	1.8
119.00182	1.2
119.97890	3.3
124.98823	7.0
125.02461	1.1
126.05608	1.8
126.09290	1.0
128.03569	2.4
128.05103	3.6
128.07187	11.3
128.10817	34.4
128.11740	2.1
129.01956	3.9
129.05571	1.7
130.05104	50.8
130.08749	42.7
130.98367	6.0
131.02042	1.3
131.08269	41.0
134.04747	9.1
134.86552	0.9
137.02419	6.4
142.05125	2.4
142.99866	14.0
143.03499	2.2
144.04556	2.4
144.06712	1.2
144.98166	1.5
145.01460	1.1
146.03761	1.1
146.99796	1.3
154.05109	3.8
154.08719	1.0
154.99863	3.7
155.03470	6.2
156.07782	1.5
159.01460	2.4
171.83356	6.0
171.97357	8.0
172.04134	1.9
172.06165	55.2
172.09756	34.1
172.14287	1.6
172.83069	100.0
172.97635	3.3
172.99413	6.7
173.00964	5.5
173.02469	1.1
173.03099	2.0
173.04536	10.5
173.06155	1.6
173.08154	2.6
173.10524	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	171.1026
Annotation	CHEBI:68949
Peak:m/z	Relative Intensity
57.03438	3.0
59.01373	7.2
60.52539	0.5
63.04646	0.4
67.10877	0.5
69.03458	2.4
70.03526	0.6
71.01244	1.0
80.38363	0.5
98.20492	0.8
99.00860	1.4
99.92570	2.7
109.06595	2.1
111.08153	37.5
112.08554	0.8
125.09689	1.6
127.07650	2.1
127.11275	12.5
128.11598	0.7
142.56169	0.6
153.09207	50.1
154.09547	1.8
170.83296	0.8
171.01993	1.5
171.10258	100.0
172.06152	1.3
172.10571	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	171.1027
Annotation	CHEBI:68949
Peak:m/z	Relative Intensity
51.49012	0.4
51.73853	0.3
55.01860	0.4
59.01368	0.9
61.98822	1.2
63.64388	0.4
68.99810	0.6
71.01378	0.6
72.75608	0.4
72.99331	0.4
89.02451	0.7
97.06615	0.4
99.00874	2.7
99.04465	0.4
99.08163	0.8
99.92578	3.5
109.70514	0.4
111.00941	0.4
112.04070	0.6
115.92068	1.0
124.89131	0.8
125.09715	3.7
127.04036	0.6
127.07639	3.2
127.11284	7.3
144.04564	0.6
153.09207	1.6
170.83292	1.1
171.02002	3.4
171.10262	100.0
171.13895	3.0
171.91051	0.9
172.06154	1.2
172.10645	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	171.1025
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
55.01883	0.4
59.01364	0.3
66.39709	0.3
68.99814	0.5
71.01405	0.6
71.53649	0.4
73.02946	0.3
76.07790	0.3
79.66276	0.3
79.69706	0.3
99.00890	1.4
99.04529	0.4
99.08153	0.8
99.92589	0.7
104.35249	0.3
109.02907	0.4
123.08190	0.5
125.09733	3.7
127.07659	2.0
127.11292	6.7
133.82317	0.3
136.62306	0.3
144.04379	0.3
153.09196	1.5
154.61168	0.3
169.15341	0.3
170.83347	0.3
171.01987	1.2
171.10265	100.0
172.06145	0.7
172.10622	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	171.1027
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
55.01892	0.8
71.66415	0.5
93.00149	0.5
98.19842	1.3
99.08154	0.8
122.43734	0.6
125.09732	4.3
127.07655	0.9
127.11275	5.9
129.78101	0.5
142.65379	0.6
142.78256	0.5
153.09229	1.6
171.02019	0.6
171.10269	100.0
172.10635	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	171.1026
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
55.01875	2.5
57.03452	7.4
58.66043	1.2
59.01390	1.6
60.54170	1.2
69.03446	1.3
69.79046	5.9
71.01383	2.3
71.05020	36.9
79.86245	1.5
83.01400	1.6
83.05023	8.3
97.06583	2.9
99.00874	5.2
99.08162	100.0
99.92591	2.2
100.08488	1.6
125.09722	36.7
126.10065	2.3
127.07649	5.1
127.11293	72.4
128.11656	1.5
153.09212	11.4
170.83339	1.9
171.01970	4.7
171.10269	96.3
171.13916	7.8
172.10565	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1027
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
52.99884	0.2
57.03440	0.3
58.12821	0.2
58.60823	0.2
61.98846	0.4
69.78825	0.3
69.79237	0.7
88.89433	0.2
90.11150	0.2
97.06581	0.2
98.20572	0.3
99.00874	0.6
99.08150	0.5
99.92597	0.8
123.08172	0.5
125.09729	3.6
127.07646	0.7
127.11292	7.1
153.09219	1.9
170.83292	0.3
171.10266	100.0
172.06082	0.4
172.10602	3.3
176.28519	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1026
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
51.78653	0.4
55.01866	0.5
57.03442	0.3
61.98808	0.4
65.00316	0.4
67.68266	0.3
68.99812	0.5
69.34636	3.0
71.01406	0.5
82.47343	0.4
84.05281	0.3
90.73454	0.3
92.26739	0.4
93.47842	0.3
97.06597	0.4
98.19899	0.7
99.00852	1.7
99.08203	0.6
99.92605	1.8
101.23315	0.4
103.51850	0.4
112.29665	0.4
116.33033	0.4
123.08146	0.4
124.89113	0.5
125.09715	3.9
127.07650	2.2
127.11282	6.9
128.98824	0.3
144.04538	1.0
153.09201	1.2
170.83386	0.5
171.01984	1.5
171.10266	100.0
171.13870	11.7
172.10655	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	171.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.0
58.02152	0.6
58.02990	0.6
58.76632	0.5
59.01384	4.6
65.00315	0.9
68.99821	0.8
69.03456	1.0
69.69010	2.6
71.01373	1.8
71.04984	0.7
73.02962	0.9
78.95911	1.1
81.03473	0.6
83.04990	0.8
84.04562	0.6
85.02940	1.1
86.02501	0.7
98.20575	0.8
99.00887	3.7
99.04514	2.1
101.74931	0.5
107.05006	0.7
109.02941	2.5
109.06596	9.6
110.06918	0.6
111.00879	1.5
111.08164	0.7
112.04069	0.9
116.05047	4.1
125.09730	1.8
127.04023	1.5
127.07654	100.0
127.11315	2.0
128.07953	3.6
128.10820	0.8
130.08737	27.3
142.44757	0.6
144.04556	21.9
152.98300	1.2
153.09183	0.9
162.05589	1.2
171.01929	4.2
171.06679	4.8
171.10268	35.1
171.13878	5.9
172.04018	4.6
172.06129	2.5
172.09612	3.6
187.13173	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0869
Annotation	(E)-4-Oxo-2-nonenoic acid
Peak:m/z	Relative Intensity
55.01882	7.6
57.03456	0.7
59.01395	0.7
65.00320	0.7
69.03455	7.6
70.36745	1.8
70.50749	0.6
71.05020	39.3
73.49297	0.5
80.02670	1.5
81.03446	1.4
83.05024	8.1
95.05033	1.7
96.99323	0.6
97.02959	1.4
97.06593	3.1
97.33865	0.5
97.34551	0.7
107.04978	0.6
118.73991	0.5
123.08161	8.9
125.02458	6.7
125.09724	100.0
125.99545	1.0
126.10085	3.2
169.01414	2.7
169.08699	8.5
188.07266	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1235
Annotation	9-Decenoic acid
Peak:m/z	Relative Intensity
57.03440	0.7
59.01369	0.8
65.00317	1.3
65.34027	0.5
69.03445	2.0
71.01357	1.1
71.52000	0.7
81.03456	1.4
82.06682	0.6
83.01412	0.6
85.02941	0.9
96.87450	0.6
97.02951	2.4
97.06631	0.8
107.05009	1.3
122.89426	1.9
125.01531	1.1
125.02460	19.2
125.06110	1.7
125.09724	3.2
125.99589	1.6
126.02809	1.2
134.86568	0.6
153.99060	0.9
168.99055	3.5
169.01451	6.4
169.05055	1.5
169.08698	1.8
169.12346	100.0
170.04599	1.0
170.12682	3.6
177.85297	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0665
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
55.01878	1.0
57.03436	2.1
59.01406	1.1
62.87341	0.8
63.78145	0.8
65.00320	1.1
66.03493	4.1
68.01422	1.5
68.99808	1.4
69.03457	27.6
70.02985	1.1
71.01384	20.6
71.52966	1.0
74.02471	1.5
78.95909	17.0
80.96518	31.9
81.02199	1.0
81.03467	1.2
82.02982	6.4
82.95399	0.9
84.04571	0.9
85.02961	2.8
86.02486	5.4
92.05054	1.6
94.03025	2.1
96.04552	100.0
97.02953	4.3
97.04898	3.3
97.06602	1.1
98.02520	1.7
99.00906	1.4
106.06623	3.6
107.05074	1.3
108.04549	5.2
109.01711	1.3
109.02393	1.1
110.02492	1.3
112.04076	1.2
113.02382	0.9
122.02476	1.0
122.06136	5.3
122.89427	2.8
123.04513	1.0
124.04036	3.7
124.04845	1.3
124.07682	49.7
124.19947	1.0
125.01126	1.1
125.02455	11.0
125.06108	2.8
125.08025	2.6
125.09746	1.3
125.99590	5.6
126.05598	1.7
140.03488	1.8
140.07210	1.2
141.01926	1.7
143.01990	4.0
150.05595	2.3
150.97083	10.4
151.03995	1.2
153.01546	2.7
167.99721	16.5
168.02901	1.9
168.04150	1.5
168.06653	29.5
168.83623	8.6
169.01416	6.0
169.05104	2.7
169.07175	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	168.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	100.0
59.03310	0.8
61.98833	0.5
66.03474	0.3
69.03460	0.4
70.02991	0.4
82.02983	0.4
96.96040	0.5
96.99316	0.3
97.02973	0.5
98.19828	0.4
122.89473	1.0
125.02453	4.2
132.86841	0.4
151.11365	0.7
153.01607	0.3
168.06647	0.5
168.13905	7.3
168.83679	0.3
169.01454	1.2
169.14348	0.3
169.45476	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.9993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91047	0.5
59.01377	6.5
59.10033	0.5
70.59084	1.5
71.01380	1.1
73.01469	1.6
73.98594	1.2
74.99400	1.1
97.77818	0.5
101.43588	0.5
109.98592	1.2
117.00455	1.5
125.00952	100.0
126.01052	5.5
126.98879	77.7
127.98981	4.0
141.97592	25.2
142.97668	1.4
168.83589	0.7
168.99924	38.5
170.00095	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	168.9993
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72092	0.6
57.03425	2.1
59.01382	9.2
65.00312	1.7
65.86387	0.7
68.99799	1.5
70.84129	1.0
70.84461	1.2
71.01357	2.0
73.01447	1.2
73.98599	0.9
74.99361	2.0
82.02982	0.8
84.04552	0.7
85.02928	1.9
96.95980	3.3
97.02946	2.0
98.02474	1.3
99.00873	2.9
101.00977	1.4
102.98867	3.3
107.04985	1.0
109.98580	0.9
110.00058	0.9
111.00865	0.9
113.02412	3.7
117.00423	1.3
123.06420	1.0
125.00953	72.7
125.02461	4.2
125.06105	2.2
125.99599	2.9
126.01092	3.7
126.01968	0.9
126.98878	100.0
127.98962	4.8
128.03529	0.7
134.04727	7.7
139.00310	0.9
139.08778	3.1
140.03532	1.4
141.00441	1.4
141.01968	1.1
141.10356	1.3
141.97583	20.9
142.97722	1.1
143.02042	2.6
151.05977	2.2
153.99098	0.9
168.99951	38.9
169.01521	6.3
169.05055	1.4
169.09836	2.8
170.00111	2.2
170.08231	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	167.1078
Annotation	(S)-6-Hydroxy-3-methyl-6-(1-methylethyl)-2-cyclohexen-1-one
Peak:m/z	Relative Intensity
59.01379	58.8
61.98831	6.5
66.03478	4.5
69.03456	3.6
72.56938	2.3
78.95922	2.5
80.02689	2.8
80.05037	2.4
81.03453	2.7
82.02979	4.7
83.01373	3.9
83.05021	3.6
91.01881	7.8
92.99777	2.7
95.01382	15.7
95.05029	5.6
97.02939	8.0
99.04556	2.2
99.41312	2.3
108.02178	42.2
108.04574	3.9
109.03013	3.7
111.00850	6.7
111.04499	2.6
121.02975	5.3
123.00864	11.9
123.04521	33.9
123.08160	5.3
124.01634	7.8
124.04040	3.1
125.02444	9.3
125.06098	5.0
132.86772	9.1
139.00363	6.5
139.03996	2.4
149.09662	6.9
152.01146	100.0
152.02399	5.4
153.01538	4.8
166.99838	5.1
167.02057	3.3
167.03470	54.1
167.07196	7.4
167.10774	72.9
168.06673	5.4
168.11084	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	167.035
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
50.11926	0.3
63.85892	0.3
67.01894	0.6
69.03461	0.9
71.01381	0.7
71.32516	0.8
76.42851	0.3
78.95908	2.9
80.02685	1.4
80.05070	0.5
80.96519	1.6
81.03463	0.7
82.02986	1.0
83.01386	0.4
83.05042	0.4
91.01890	1.6
93.03490	0.8
95.01389	2.0
95.05037	1.2
96.04566	1.0
97.02946	1.4
97.06620	0.5
98.02494	0.4
108.02177	54.7
108.04546	0.9
109.02443	1.7
109.06522	0.4
110.02492	0.5
111.00902	0.7
111.04493	0.4
111.08202	0.5
111.49471	0.4
111.65639	0.3
116.93007	0.3
121.02952	1.2
122.03735	0.4
123.00906	1.4
123.04531	16.6
123.08173	0.7
124.01634	1.4
124.04080	0.4
124.04906	0.5
125.02453	1.3
138.03314	0.3
139.04041	1.2
139.05940	0.5
139.07645	1.5
145.48199	0.3
149.02383	0.4
149.06114	0.6
152.01154	100.0
153.01500	3.9
167.03490	21.0
167.07158	1.6
167.99683	0.8
168.03955	0.5
168.06657	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63286	0.9
59.01363	3.4
61.98814	3.9
64.44212	0.9
65.00303	2.6
66.03465	2.5
68.99814	1.1
71.01378	2.0
71.52921	0.8
72.00903	1.3
72.99296	2.0
74.99047	1.2
75.00887	5.4
77.03957	1.6
80.05041	3.4
87.00864	3.0
89.02429	1.5
92.05053	5.4
92.99827	1.8
93.03460	8.6
94.03001	4.4
95.01372	1.5
95.05012	1.0
96.00930	0.9
96.07883	0.9
101.02363	1.1
105.01930	2.4
107.05018	1.1
108.02164	2.0
108.04557	100.0
109.02937	4.0
109.04888	3.6
110.02483	5.6
110.06101	1.2
119.05019	3.6
120.04540	4.5
121.02956	32.7
121.04790	1.1
121.05595	3.0
121.06580	4.4
122.02442	2.8
122.03783	1.8
122.06137	2.2
123.00891	1.1
123.03241	1.5
123.04481	2.8
124.04060	1.3
133.04082	10.9
135.04707	1.2
135.05652	6.0
136.04027	5.8
136.05109	1.3
137.02460	8.3
137.06099	2.2
138.05611	92.7
139.05977	2.5
141.33966	0.9
147.04507	2.9
147.05641	6.0
148.04866	3.8
149.00983	5.3
149.04868	1.4
150.03235	7.5
151.00330	1.0
152.03519	1.5
163.05128	63.7
164.05449	2.9
164.83537	1.6
164.89563	7.4
165.01958	10.8
165.03964	3.9
165.05533	7.1
165.06683	62.1
165.09161	3.0
165.78070	1.0
166.01492	2.6
166.05090	4.8
166.07083	1.4
184.56062	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.041
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51411	0.2
57.03441	0.2
59.01369	0.4
59.96714	0.7
61.98807	0.2
65.00318	0.4
66.03467	0.4
69.03449	0.3
69.24306	1.4
69.24708	0.4
71.01357	0.6
72.99312	0.2
73.02972	0.2
74.99073	12.6
75.00866	0.6
75.96216	0.4
75.99023	0.3
77.03964	1.8
80.05042	0.6
81.03452	0.2
87.00874	0.4
91.02215	5.6
93.00153	5.3
93.03463	1.6
94.02972	0.4
95.05036	0.2
101.02439	0.2
105.01937	0.3
108.02266	0.2
108.04562	0.4
109.02953	0.6
109.06596	0.5
110.02444	0.4
119.05070	0.4
121.02956	27.0
121.06585	0.9
122.02484	0.4
122.03333	1.1
122.06139	0.3
123.00865	0.3
123.04518	0.6
135.04517	0.3
136.01703	0.2
136.05280	0.3
137.02449	1.2
137.06100	0.4
138.05612	0.4
147.04524	0.3
147.08240	0.2
148.04929	0.3
149.00955	100.0
150.00941	5.6
150.03154	1.5
150.98898	1.1
151.00256	0.2
164.83618	0.5
164.89638	0.7
165.01978	3.4
165.04094	14.3
165.05537	1.7
165.09203	1.2
166.01440	0.8
166.03944	0.4
166.05087	0.6
167.02026	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0717
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
51.79298	0.6
57.10303	0.6
59.03936	0.5
61.43112	0.7
63.16578	0.6
71.21536	0.8
71.21883	0.7
72.00911	43.2
76.13393	0.6
91.05542	3.4
103.05527	6.7
104.83842	0.5
118.06630	0.7
119.05077	1.4
120.05350	0.8
137.01114	0.6
147.04523	100.0
148.04851	4.0
161.24924	0.6
164.07162	46.4
165.07498	1.2
167.08707	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0192
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
55.01881	0.3
57.03431	0.3
59.01379	1.8
61.98825	2.6
70.36771	0.2
70.37121	0.6
71.01381	1.5
72.99302	1.1
73.02941	0.3
75.00872	13.4
77.03966	5.7
79.95736	0.6
83.01398	0.2
85.02930	0.3
87.00876	7.9
89.02457	0.6
93.03468	1.1
94.03001	0.2
95.01369	0.2
99.00889	1.1
101.02452	0.8
105.01939	5.7
107.99677	0.2
108.04554	0.2
110.02490	1.6
117.01927	0.3
119.05003	0.4
119.51821	0.2
121.02956	100.0
122.02493	0.4
122.03290	3.2
122.06149	0.3
125.45726	0.2
129.01936	1.2
135.02985	0.2
137.02402	0.9
140.07820	0.2
147.02985	0.8
148.04898	0.2
159.69319	0.2
164.89569	1.3
165.01929	6.8
165.04050	6.9
165.05441	0.3
166.01613	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0193
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
59.01373	1.0
63.96254	0.4
69.95483	1.0
69.95894	0.8
71.01378	0.6
75.00870	1.1
76.03820	0.4
77.03963	2.6
79.16949	0.3
81.03444	0.4
87.00900	0.5
89.02454	0.5
92.01515	0.3
92.99781	0.5
93.03458	2.4
94.02981	0.5
95.05024	0.4
101.08604	0.3
105.01948	0.6
107.05053	0.5
108.02162	0.4
108.04529	0.6
108.07314	0.3
109.02940	0.8
110.02504	0.5
119.05006	1.2
121.02956	100.0
122.03223	2.5
123.04497	0.6
123.29385	0.3
135.04550	0.6
137.02472	2.0
138.05632	0.7
147.04492	0.6
148.04877	1.1
149.00967	1.7
150.03189	2.4
151.00407	0.4
164.89560	1.3
165.01912	8.8
165.04173	0.7
165.05576	2.4
165.09216	0.8
174.59131	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.6
61.98830	2.1
98.43595	1.1
113.33796	1.1
116.92084	4.2
119.05025	49.8
120.05344	1.9
129.81067	1.2
137.40482	1.2
147.08160	2.0
163.00410	2.2
163.03998	3.6
163.11287	100.0
164.11598	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	164.0715
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
50.68900	0.3
51.84153	0.3
59.01357	0.5
65.75039	0.3
65.99838	0.4
66.90945	0.3
70.53173	1.1
71.01373	0.6
72.00901	1.9
77.03963	0.9
80.05046	3.6
92.05057	0.6
92.99815	0.6
93.03463	1.9
94.03033	0.6
107.04988	0.3
108.04565	0.6
108.08213	2.4
109.02930	0.6
119.05016	1.2
120.04549	2.1
120.05366	7.1
121.02958	18.6
121.05315	3.6
123.37205	0.3
124.04031	0.8
135.03265	0.9
135.04483	0.4
136.04021	1.6
136.07680	16.8
137.02440	1.1
137.04822	2.0
137.08081	0.5
147.04514	5.0
149.00941	1.0
149.04800	4.6
150.01996	0.5
150.03224	1.0
152.03487	1.0
153.04346	1.6
164.03445	4.8
164.07158	100.0
164.89661	0.9
165.01907	1.8
165.04083	0.3
165.05534	0.8
165.07498	4.7
165.09041	0.5
181.03792	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	163.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13651	0.1
57.39564	0.1
69.44927	1.0
91.01920	0.1
91.05524	0.2
92.03941	0.1
93.03464	1.2
98.19881	0.2
111.49924	0.1
117.03474	0.2
119.05023	100.0
120.04534	0.3
120.05356	3.5
147.04482	0.2
162.89331	0.2
163.00375	0.3
163.03999	6.3
164.04413	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0506
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
57.03446	0.5
59.01373	1.4
68.99818	1.2
69.03455	0.5
69.67201	1.9
71.01383	1.4
72.99345	0.4
74.64920	0.3
74.77415	0.3
75.11633	0.3
80.28394	0.3
83.05021	0.4
84.99319	2.1
85.02980	0.4
87.00912	0.4
95.05038	1.3
99.00896	1.0
111.08130	0.6
113.06087	100.0
114.05647	0.7
114.06397	3.1
114.93419	0.8
115.00385	0.4
127.00371	3.2
130.06606	1.0
156.89436	0.9
157.01445	1.1
157.05054	9.9
157.07640	0.6
157.08766	2.4
157.12343	3.7
158.03578	1.0
158.06097	1.0
158.08122	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1026
Annotation	(R)-2-Hydroxycaprylic acid
Peak:m/z	Relative Intensity
54.71786	0.4
55.01894	0.6
57.03446	0.6
59.01371	1.2
69.70588	0.7
69.70997	1.7
71.01378	1.7
73.02940	2.4
83.01402	0.5
85.02950	0.7
87.00880	1.5
97.06570	0.7
99.00843	0.6
101.02447	1.0
111.00886	1.2
111.08146	0.5
113.02458	0.9
113.09724	25.3
114.10038	1.0
116.92896	0.5
123.08156	1.0
129.01901	2.1
141.09207	2.5
144.27458	0.5
156.03748	0.5
157.08739	1.6
159.03052	2.3
159.10266	100.0
160.04106	0.6
160.10593	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	163.0402
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.21537	0.2
69.41029	1.1
69.41439	0.4
84.01730	0.2
91.05533	2.9
92.05874	0.2
93.03453	1.2
94.46819	0.2
97.76884	0.2
104.59808	0.2
116.83925	0.2
119.05027	100.0
120.05350	3.8
135.04477	0.3
163.04002	6.4
163.50607	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0401
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
50.08153	0.1
70.11671	0.3
70.12077	0.2
91.05516	0.2
93.03448	1.1
93.53909	0.1
117.03513	0.3
119.05022	100.0
120.04590	0.2
120.05352	3.5
163.04002	6.3
164.04362	0.3
174.09515	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	155.1078
Annotation	60046-50-6
Peak:m/z	Relative Intensity
50.46362	1.0
51.06494	1.0
55.01864	3.2
55.82246	0.9
57.03442	2.3
59.01374	2.0
59.61946	1.2
61.93501	1.1
67.01891	2.1
69.03442	2.1
69.92516	4.7
71.01388	1.9
71.05011	1.1
73.02936	5.1
81.03482	1.5
83.01376	7.7
83.05037	3.3
84.00903	1.1
84.04556	2.0
85.02946	2.0
93.03468	2.7
95.01358	1.4
97.02934	2.4
98.03740	1.7
109.06614	9.9
111.00891	3.5
111.04564	2.4
111.08162	100.0
112.04079	1.2
112.08498	4.7
114.05609	27.6
127.00351	3.0
127.11298	8.7
128.21773	1.0
137.09729	16.4
138.05647	1.4
140.01135	3.3
154.99840	2.1
155.03502	3.5
155.10776	96.5
155.86571	2.7
156.06651	14.5
156.11185	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	156.0666
Annotation	N-ACETYLPROLINE
Peak:m/z	Relative Intensity
52.05119	0.2
57.03453	1.9
59.01387	1.3
62.41998	0.3
66.03490	0.8
68.99821	1.3
70.02973	0.4
71.01390	1.0
71.52607	0.3
73.02967	0.3
74.32120	0.2
78.31055	0.2
80.05048	0.5
83.05027	0.3
84.04545	0.4
85.02944	0.6
86.02498	0.3
92.05046	0.4
93.03468	0.5
94.06603	0.3
96.04561	1.1
96.99294	0.4
108.04541	0.7
110.06113	3.0
111.04520	0.7
112.07688	3.0
114.05608	100.0
115.05235	0.5
115.05961	2.4
120.04548	0.7
121.81307	0.3
129.00468	0.5
131.02017	1.7
138.05655	1.4
138.69331	0.2
156.06650	9.5
157.01375	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1078
Annotation	Nonane-4,6-dione
Peak:m/z	Relative Intensity
55.01871	1.8
55.84155	0.5
57.03439	1.0
59.01370	0.8
59.36583	0.7
60.36253	0.5
67.01865	1.5
71.01375	0.6
71.52904	0.8
71.53255	0.6
73.02943	2.9
81.03458	0.7
81.71131	0.7
83.01389	4.8
83.05018	1.1
84.00894	1.2
85.02943	1.2
85.06553	0.6
85.48452	0.6
93.03455	2.2
93.13800	0.7
96.95998	0.6
99.92573	2.1
110.06096	0.7
111.00880	1.7
111.04525	2.1
112.00423	0.8
114.05597	17.0
127.00357	1.8
137.02419	1.0
137.09697	2.8
138.05615	0.8
140.01158	2.3
154.99852	1.9
155.03551	1.6
155.10771	100.0
155.86574	6.5
156.06665	6.4
156.11107	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	153.1285
Annotation	1,8-Cineole
Peak:m/z	Relative Intensity
55.84384	1.6
57.88067	1.4
65.00323	3.0
66.03475	4.1
68.99831	2.4
69.03465	2.3
69.95023	6.1
71.05024	4.9
80.96532	1.5
81.03459	5.6
81.07081	1.5
82.02971	2.1
82.22705	1.3
96.45346	1.4
97.03002	1.8
97.06595	33.3
98.20610	2.5
99.08139	11.4
100.08434	1.6
108.02184	8.3
109.02957	77.4
109.06600	4.3
110.00091	3.7
110.02525	1.7
110.03284	4.7
112.04027	2.5
123.04496	1.8
124.04021	2.8
125.02437	2.9
125.09716	2.6
135.04480	1.8
136.04042	1.7
136.78676	1.5
137.09694	4.4
137.99597	2.7
151.00436	1.4
151.11339	1.7
153.01968	23.0
153.05562	5.7
153.12851	100.0
153.86865	64.2
154.01404	2.4
154.05072	3.2
154.13167	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	155.1078
Annotation	Nonane-4,6-dione
Peak:m/z	Relative Intensity
55.01885	3.1
57.03441	2.2
57.97557	1.5
59.01375	2.0
65.16383	1.0
67.01894	5.4
68.99825	1.6
69.03455	1.2
70.02962	1.2
71.01364	2.0
71.52132	1.4
80.93776	1.2
81.03465	2.0
83.01389	19.3
83.05018	3.2
84.00917	4.7
84.04545	2.9
84.51935	1.3
85.02953	2.6
92.66801	0.9
93.03439	8.2
95.01392	1.9
96.96024	2.9
97.02948	1.9
99.00867	1.7
99.92580	14.9
109.02973	1.8
111.00889	7.4
111.04517	5.1
111.08163	2.6
112.00366	2.0
112.03989	1.1
113.02425	1.7
114.05606	48.2
114.53129	1.2
127.00366	5.5
137.02443	2.4
137.09685	1.2
140.01144	7.3
154.86865	15.9
154.99881	4.3
155.02617	15.5
155.07249	1.5
155.10780	76.3
155.86569	100.0
155.99481	1.5
156.03056	1.6
156.06689	12.0
156.11098	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	153.0922
Annotation	Levodione
Peak:m/z	Relative Intensity
50.31628	0.4
58.81097	0.4
59.41702	0.3
61.98835	0.7
65.00318	1.5
65.03970	0.6
66.03481	1.2
67.03843	0.3
68.99852	0.4
69.03443	1.0
69.98859	1.4
78.95921	0.5
80.96513	0.7
81.03477	2.5
81.07094	1.2
82.02985	1.0
83.01398	0.8
83.02551	0.3
83.05040	0.6
85.02946	0.4
87.91293	0.3
91.01876	0.4
92.05064	0.4
95.01377	0.7
97.02960	1.2
97.06602	0.8
98.20618	0.3
103.21556	0.4
108.02168	3.9
108.04522	0.5
109.02951	33.3
109.06583	7.5
110.00105	1.5
110.02515	0.6
110.03281	1.4
111.08157	24.7
112.04036	1.1
112.08487	1.0
118.89902	0.6
123.00901	0.8
123.04528	1.3
124.01717	0.4
124.04028	1.2
124.98826	0.5
125.02454	2.0
125.06054	0.5
125.09720	0.3
135.04556	0.4
135.08182	0.5
136.04079	0.4
137.06068	1.0
137.99606	2.0
138.03224	1.1
151.00320	0.9
151.07649	0.5
153.01949	9.8
153.05678	3.5
153.09209	100.0
153.86865	43.6
153.98091	0.3
154.01376	0.7
154.02422	0.4
154.05066	1.1
154.09563	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	152.0354
Annotation	4-Nitroanisole
Peak:m/z	Relative Intensity
56.54691	0.2
58.34474	0.2
65.00328	0.5
66.03482	8.3
68.99818	0.5
69.03461	0.5
71.01389	0.4
72.60757	0.2
80.05068	0.4
81.03461	1.0
83.01376	0.3
83.05025	0.3
87.27573	0.3
96.04542	0.6
97.02950	0.5
104.96351	0.3
105.43711	0.3
108.02168	1.9
108.04556	1.3
108.05283	0.3
109.02950	13.6
109.06557	0.5
110.00104	0.9
121.02956	1.4
122.03735	44.6
123.04002	1.5
124.04036	0.9
125.02465	0.8
137.02019	0.6
137.99588	1.2
138.03261	0.4
142.13315	0.3
149.06996	0.3
151.00374	0.5
151.87419	1.1
152.03523	100.0
153.01971	3.8
153.03885	3.6
153.05563	1.0
153.13020	0.2
174.42622	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.9955
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76245	0.5
65.00314	2.4
65.80296	0.6
66.03471	1.2
68.99822	0.8
69.03455	1.0
71.01389	0.6
71.53211	0.6
78.95904	100.0
80.96544	0.6
81.03447	2.5
82.02972	1.1
83.01381	0.8
89.59304	0.5
91.03032	0.5
96.96013	1.0
96.96960	9.8
97.02953	1.5
108.02170	5.7
109.02953	44.2
109.06585	1.4
110.00096	1.5
110.03297	1.4
123.00890	1.3
123.04533	1.3
124.01619	0.7
124.04066	0.6
124.98816	0.6
125.02419	1.3
125.06093	0.6
137.99590	2.3
138.03220	1.4
143.03261	0.5
150.98012	2.4
151.00307	1.2
152.99585	61.3
153.01898	12.9
153.05544	3.1
153.86855	5.7
153.99988	1.3
154.05077	0.6
173.72762	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0402
Annotation	Vanillin
Peak:m/z	Relative Intensity
50.84645	0.1
51.02382	0.2
53.50850	0.2
59.01375	0.4
67.01881	0.2
68.99824	0.2
69.03448	0.2
69.16218	1.0
69.16640	0.9
71.01387	0.4
79.01892	0.3
92.02676	0.5
95.01400	1.3
100.57794	0.2
101.02440	0.3
107.05028	0.6
108.02177	6.6
110.45245	0.2
123.00879	0.3
123.04548	0.3
136.01665	100.0
137.02007	3.7
151.04008	7.6
151.05901	0.2
152.04427	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02962	16.2
66.48185	4.4
67.02985	8.1
69.84699	20.8
71.01390	4.7
72.00916	12.2
74.02480	33.3
76.30481	4.8
82.02998	13.1
82.33904	4.0
84.04539	44.9
86.02486	8.4
96.28541	4.4
98.02457	10.6
98.20597	6.1
99.05643	9.3
101.07203	29.0
102.05608	49.9
107.02472	7.8
109.04078	39.0
125.03582	13.3
127.05140	100.0
128.03529	69.9
145.06177	60.7
145.09874	5.6
146.04570	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	147.03
Annotation	(R)-2-Methylmalate
Peak:m/z	Relative Intensity
52.83411	1.8
57.03447	22.6
59.01371	7.2
61.55204	1.9
61.98830	26.4
70.00688	6.4
70.01100	4.8
71.05026	19.9
73.02948	39.0
85.02953	100.0
86.03284	2.5
87.00875	79.1
98.20573	1.9
99.00884	5.8
99.16613	1.9
101.02431	4.7
101.06098	2.8
101.37904	1.9
103.04002	12.3
104.02679	1.9
105.05956	1.8
109.05988	1.8
117.01952	9.3
129.01939	20.5
147.02992	27.2
147.06650	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	144.0455
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
59.01373	0.7
61.98833	0.3
65.99832	0.3
71.01382	1.1
71.05047	0.2
73.02950	1.3
78.28922	0.2
83.05004	0.2
97.02977	0.2
99.08153	0.2
101.06081	0.4
113.94650	0.1
116.05061	2.4
116.49309	0.2
117.03451	0.4
117.05427	0.2
126.03478	1.7
127.03916	0.1
142.02968	0.6
144.04544	100.0
145.03111	0.3
145.04900	7.3
145.08673	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	144.0456
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
54.72253	0.3
57.88306	0.3
64.92987	0.3
65.99866	0.4
71.01369	0.4
71.01934	0.5
83.05028	0.7
98.06174	0.3
101.06079	1.2
102.03499	1.3
109.02975	0.3
116.05044	1.5
121.88560	0.3
144.04552	100.0
145.04919	7.0
155.39278	0.3
162.90865	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	22.8
55.01881	6.3
59.01384	18.6
60.20625	3.6
68.99820	6.6
69.51867	22.3
71.01386	46.8
72.99339	4.2
80.99834	9.5
85.02962	5.8
87.00877	14.1
89.48920	3.7
96.99319	31.9
98.03906	3.6
112.98791	31.5
115.00381	10.6
118.43427	4.7
124.98809	81.7
140.98250	8.7
142.99863	100.0
144.00148	4.4
146.13771	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	143.0714
Annotation	trans-4-Hydroxycyclohexanecarboxylate
Peak:m/z	Relative Intensity
51.52369	4.4
55.01863	7.1
57.03460	6.8
59.01370	5.5
59.59386	4.9
61.98837	26.4
67.14954	4.6
68.99793	5.9
69.03437	25.6
71.01373	31.5
71.04999	8.2
71.33582	7.3
72.99306	6.6
73.02911	9.7
75.01071	5.5
81.03459	13.2
83.22384	4.7
85.02939	25.2
87.00886	10.9
87.04519	8.6
95.05030	41.5
97.02946	13.1
97.06593	88.3
99.04545	4.7
99.08159	38.3
115.04008	7.9
125.02441	23.6
125.06104	53.1
129.36031	5.5
142.99841	5.3
143.03513	19.6
143.07141	100.0
143.10760	19.5
143.86546	10.0
144.04591	57.6
144.06642	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	26.9
59.01366	12.9
62.26193	3.9
68.99827	8.5
70.59382	7.2
70.59723	7.5
71.01381	56.9
80.99811	5.4
82.02938	4.1
82.64313	3.7
85.02931	10.4
87.00881	14.2
87.92520	9.5
92.06792	3.9
96.99306	26.7
98.20048	4.1
103.92010	5.5
109.17569	3.8
112.98814	36.2
115.00371	4.1
124.97940	6.8
124.98804	89.3
128.31830	4.9
140.98270	8.1
142.99860	100.0
144.04561	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	138.0561
Annotation	5-(Methoxymethyl)-1H-pyrrole-2-carbaldehyde
Peak:m/z	Relative Intensity
50.42391	1.2
55.01882	3.7
66.03490	1.7
67.01887	5.4
67.27225	1.2
68.99836	1.6
71.53787	1.8
79.95716	7.1
81.03460	2.2
81.55190	1.3
82.03002	1.7
83.01388	5.4
83.05015	1.3
93.03455	5.7
94.02964	6.5
94.03789	15.8
94.98096	7.0
95.01389	1.7
95.05034	3.9
96.04558	1.3
103.66969	1.3
108.02165	10.9
110.02492	7.2
110.06120	1.5
111.00887	16.6
111.04502	2.3
120.04550	3.1
123.03269	100.0
124.01669	3.3
124.03609	4.1
138.00914	0.8
138.01974	20.4
138.02820	3.7
138.05609	77.9
139.00391	8.6
139.04018	7.4
139.05934	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	139.0765
Annotation	cis-1,2-Dihydro-3-ethylcatechol
Peak:m/z	Relative Intensity
55.01870	15.4
67.01903	16.7
69.97980	36.8
69.98389	29.6
73.78151	11.4
83.01388	22.6
85.10193	11.4
111.00872	78.9
113.99129	11.8
116.92997	11.0
124.01637	12.2
139.00339	35.0
139.04025	30.2
139.07655	100.0
148.13138	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	135.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77048	0.7
57.86854	0.8
59.01379	11.6
69.73229	4.1
71.01380	33.2
72.01707	2.8
72.99308	24.7
73.01797	18.9
74.99734	8.0
75.00871	100.0
76.01205	1.8
87.00872	2.9
89.02449	9.1
91.02856	3.2
115.00370	12.2
116.00693	1.1
117.00796	52.0
117.01939	1.7
118.01165	1.1
124.05979	0.8
135.01862	12.1
135.02982	19.6
135.04543	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	136.0166
Annotation	3-Hydroxybenzoate
Peak:m/z	Relative Intensity
61.28362	1.4
65.03951	2.0
69.03443	4.1
69.78724	7.7
73.07420	1.4
92.05058	10.5
93.03455	100.0
94.02991	3.0
94.03770	3.1
95.01381	14.2
108.02170	94.2
108.04562	4.4
108.05295	2.0
109.02445	2.7
109.03037	2.8
135.89482	2.7
136.01657	78.9
136.03899	8.7
136.04901	10.5
136.86264	5.5
136.89171	8.7
137.02457	45.7
137.06107	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	137.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88618	0.8
59.24939	0.7
62.01534	0.7
66.51067	0.7
69.03474	3.7
69.57421	0.8
70.03502	2.5
93.03461	34.0
94.03812	1.9
98.20105	1.8
98.20711	0.9
99.92577	6.8
100.87888	0.9
106.68213	0.8
108.02177	3.0
108.05800	1.8
109.02944	2.0
119.08639	1.1
136.01747	1.1
136.86348	4.2
136.89180	100.0
137.02449	14.8
137.09735	6.0
137.89183	10.9
138.01952	2.4
143.02106	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0198
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
50.08731	0.4
50.84224	0.5
51.33249	0.5
51.33504	0.4
56.13790	0.4
70.99599	1.1
79.03000	0.4
94.02954	0.6
94.03812	0.7
95.01387	0.5
100.08719	0.5
108.02175	80.0
109.02492	3.7
111.00813	0.7
118.47940	0.5
138.01974	100.0
139.02309	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	133.0144
Annotation	(R)-Malate
Peak:m/z	Relative Intensity
52.15824	1.1
71.01382	82.2
72.01704	2.2
72.99314	18.6
87.00872	2.4
89.02455	7.5
92.02540	3.5
107.03640	16.1
115.00380	100.0
115.28983	1.2
116.00732	1.5
117.44054	1.0
133.01442	19.5
134.04736	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24107	0.3
53.21085	0.3
65.01453	1.6
68.02544	0.8
70.05212	0.3
70.89870	0.8
80.02540	0.6
80.07987	0.3
80.85651	0.3
92.02545	11.3
93.60562	0.3
107.03635	41.5
108.03325	0.4
108.03990	1.0
134.04726	100.0
135.05183	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	135.0302
Annotation	Erythronic acid
Peak:m/z	Relative Intensity
52.77048	0.7
57.86854	0.8
59.01379	11.6
69.73229	4.1
71.01380	33.2
72.01707	2.8
72.99308	24.7
73.01797	18.9
74.99734	8.0
75.00871	100.0
76.01205	1.8
87.00872	2.9
89.02449	9.1
91.02856	3.2
115.00370	12.2
116.00693	1.1
117.00796	52.0
117.01939	1.7
118.01165	1.1
124.05979	0.8
135.01862	12.1
135.02982	19.6
135.04543	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	131.0715
Annotation	5-Hydroxyhexanoic acid
Peak:m/z	Relative Intensity
52.32370	0.9
57.03437	1.5
59.01379	100.0
60.01702	2.2
68.99785	1.0
70.86291	2.5
71.01372	1.7
73.02930	1.7
85.02953	7.9
85.06595	1.5
87.04518	4.8
131.03532	2.5
131.07150	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	133.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	2.2
71.01381	85.3
71.27905	1.6
72.01714	2.1
72.99306	21.3
78.23849	0.6
82.42207	1.0
83.57423	0.7
87.00877	1.7
89.02444	7.9
89.98605	0.7
115.00373	100.0
116.00712	3.9
133.01433	19.8
154.06689	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70292	1.2
59.01374	1.6
62.19371	1.2
65.93532	1.1
71.01380	82.5
72.01713	2.7
72.99306	22.3
76.94019	1.3
79.92419	1.2
87.00834	1.8
89.02442	7.0
98.52698	1.1
115.00372	100.0
116.00690	2.4
133.00467	1.7
133.01425	20.9
134.04686	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	133.0143
Annotation	Malic acid
Peak:m/z	Relative Intensity
50.28696	1.1
59.01374	1.3
62.79025	1.1
70.06170	0.9
70.19607	3.5
70.93204	1.1
71.01383	76.9
72.01727	1.6
72.99306	19.1
83.69111	1.1
89.02442	7.0
90.65763	1.1
97.69892	1.0
103.02686	1.0
115.00373	100.0
116.00760	2.6
133.01422	17.4
146.76736	1.3
154.38527	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	130.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
65.73656	1.0
70.40319	2.4
72.99107	1.0
84.08167	1.7
87.04501	6.1
106.53642	0.9
115.30177	1.1
130.08737	100.0
131.09068	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	131.0351
Annotation	Methylsuccinic acid
Peak:m/z	Relative Intensity
60.47299	0.5
69.03458	1.7
71.28008	0.8
85.02945	1.9
87.04514	100.0
88.04853	3.6
91.27323	0.6
97.46618	0.5
113.02474	6.3
131.03499	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	131.0715
Annotation	5-Hydroxyhexanoic acid
Peak:m/z	Relative Intensity
54.24504	1.2
56.49279	1.2
57.03422	1.5
59.01381	100.0
60.01694	1.6
62.90122	1.4
67.50787	1.2
69.87760	3.8
69.88157	2.4
77.20134	1.2
85.02943	3.2
87.04520	1.4
96.68553	1.2
98.20616	1.4
131.07150	6.6
131.99310	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0195
Annotation	Mesaconic acid
Peak:m/z	Relative Intensity
52.54141	2.1
70.69435	3.8
70.69802	3.7
84.85284	1.8
85.02947	100.0
86.03270	2.7
87.77331	1.8
97.03519	1.7
106.33115	1.8
109.56133	2.0
129.01953	5.6
147.40538	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	129.0195
Annotation	Mesaconic acid
Peak:m/z	Relative Intensity
62.48235	2.2
70.85522	3.9
80.41693	1.8
85.02950	100.0
86.03296	4.0
88.09866	1.9
119.48969	1.8
129.01933	6.7
130.08752	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	129.0559
Annotation	(3R)-3-Methyl-2-oxopentanoic acid
Peak:m/z	Relative Intensity
57.03459	92.1
66.15356	17.7
70.19375	19.8
70.19709	74.2
83.05025	38.7
85.02962	47.1
85.06597	43.7
129.05589	100.0
130.08710	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0559
Annotation	3-(1-hydroxyethyl)butanolide
Peak:m/z	Relative Intensity
57.03436	97.9
69.75845	100.0
83.05023	68.1
85.02959	66.5
85.06584	65.9
88.63029	15.3
91.22573	16.7
92.49017	17.9
98.19908	32.7
109.20592	18.0
111.04534	22.6
128.90138	27.8
129.05556	69.9
130.08742	66.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.9966
Annotation	3-Mercaptolactate
Peak:m/z	Relative Intensity
57.69239	10.2
66.93349	13.1
71.27922	20.2
89.14388	13.0
94.02988	19.5
106.95808	13.0
120.99659	100.0
121.02995	72.5
122.02481	28.2
136.30026	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	120.9966
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82013	2.3
66.01508	2.0
66.03498	4.0
70.03436	8.3
70.03809	4.1
76.65514	2.2
93.03478	6.4
94.02983	22.4
95.01401	3.0
100.70787	2.7
120.99646	25.2
121.02954	100.0
122.02478	12.8
122.03326	5.8
130.97531	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	121.0297
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
65.03963	0.4
68.50046	0.3
69.64679	1.5
76.11785	0.3
91.01917	1.4
92.02691	0.5
93.03461	2.8
94.02989	0.6
95.01393	1.3
95.71168	0.2
98.20731	0.3
99.13235	0.3
108.02184	3.9
109.02507	0.3
120.02161	0.4
121.02962	100.0
122.02490	0.4
122.03291	6.3
129.70532	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0297
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
69.30836	11.2
93.03463	6.0
94.02984	12.3
108.02178	2.7
116.45231	1.2
117.75953	1.3
121.02965	100.0
122.02477	9.6
122.03316	5.1
124.41153	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	127.0766
Annotation	Ethyl tiglate
Peak:m/z	Relative Intensity
51.52820	4.2
53.89452	3.9
55.01868	9.2
59.01367	14.4
64.05316	4.4
71.01389	13.8
71.05001	5.7
75.68188	4.1
81.03452	10.7
81.91423	4.3
83.01374	9.9
83.05026	14.4
85.02944	18.8
98.19859	7.9
99.00887	9.6
99.04525	4.6
109.02979	5.4
109.06577	5.6
110.90881	7.3
115.10512	4.5
126.90435	100.0
127.00371	38.5
127.03029	4.3
127.04008	23.3
127.04787	4.2
127.07656	75.5
128.03542	52.0
128.07178	75.0
128.08025	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	120.0126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66069	0.6
58.67458	0.6
61.98830	3.6
70.87083	1.7
71.01369	0.7
79.95753	1.0
91.01923	0.7
92.05059	1.0
93.03453	6.8
94.03834	0.8
95.01380	1.2
99.05013	0.6
108.02190	2.9
111.80806	0.7
120.01276	1.5
120.02084	0.9
120.04545	3.7
120.05373	13.8
120.99665	3.9
121.02955	100.0
121.86806	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0194
Annotation	Succinic acid
Peak:m/z	Relative Intensity
55.01875	0.8
56.53771	0.3
58.74745	0.3
59.17238	0.3
70.14448	0.5
70.14845	0.8
73.02944	100.0
74.03284	2.6
99.00875	7.7
117.01939	10.9
118.02288	0.7
126.14460	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98338	0.3
53.01171	0.3
55.01882	1.1
58.09805	0.4
70.69267	0.4
70.69601	0.8
71.01385	0.4
73.02946	100.0
74.03291	2.7
84.36563	0.4
98.20572	0.4
99.00879	8.3
100.01225	0.5
108.01946	0.3
116.92883	0.4
117.01940	10.7
118.02261	0.6
120.29028	0.4
136.25687	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0504
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
59.01365	0.8
59.02259	0.8
61.79867	0.9
70.92046	1.8
91.05557	1.7
93.03454	6.1
97.68565	0.8
118.92679	2.0
119.05029	100.0
120.05361	6.0
125.70453	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0503
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
52.99386	0.7
58.91602	0.7
59.01376	1.9
61.85426	0.7
69.45904	1.8
69.46310	2.6
70.21264	0.6
91.05520	1.6
93.03460	6.2
98.19941	1.4
101.92419	1.4
117.03440	0.8
118.92683	1.5
119.05027	100.0
120.05358	6.7
128.88307	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1141.6074
Annotation	Unknow
Peak:m/z	Relative Intensity
89.02447	0.6
96.96022	0.4
96.96965	7.6
101.02451	0.8
125.09737	0.4
150.40767	0.3
150.98022	2.6
152.99583	100.0
153.12863	0.3
153.99864	0.7
158.25487	0.3
159.20068	0.3
161.09692	0.9
171.00627	3.3
174.28471	0.3
179.10724	1.6
192.13545	0.3
197.11824	20.4
198.12158	0.6
222.10486	0.3
223.09669	0.3
241.10803	1.7
246.99936	0.3
249.18590	5.6
253.09169	0.5
277.21765	1.1
431.22012	33.9
432.22366	2.5
477.19769	0.7
679.84381	0.4
709.38055	60.7
710.38373	7.7
1141.46814	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1149.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
96.96973	1.2
101.59576	0.1
150.98010	0.3
152.99586	17.2
153.99966	0.1
171.00639	1.4
196.96851	0.1
200.81480	0.1
227.03278	2.4
245.04303	1.8
261.22260	0.5
279.23279	100.0
280.23611	5.7
311.17087	0.1
458.21506	0.1
479.68225	0.1
481.25546	0.3
500.90378	0.1
505.25446	0.1
507.27261	66.2
508.27567	4.9
508.35306	0.1
777.66858	0.1
795.22949	0.6
921.46753	0.2
1149.50525	10.2
1150.50928	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	115.0764
Annotation	Isocaproic acid
Peak:m/z	Relative Intensity
53.22642	1.6
54.80101	1.9
63.36558	1.8
65.02923	1.9
69.99441	6.6
77.31618	1.5
93.81190	1.9
105.03095	1.7
114.93398	3.1
115.07650	100.0
116.07981	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	1169.495
Annotation	Unknow
Peak:m/z	Relative Intensity
81.78001	0.2
92.03326	0.2
96.96960	4.2
98.20676	0.5
143.11977	0.2
150.98012	0.8
152.99579	63.0
153.99937	0.6
169.66382	0.2
171.00633	16.8
174.19997	0.2
227.03252	3.1
245.04295	78.9
246.04648	1.7
253.21710	39.4
254.22064	2.0
316.51767	0.2
328.10486	0.2
481.25690	100.0
482.26080	6.9
614.20020	0.6
672.86536	0.3
841.23450	1.0
842.23621	0.3
941.45508	0.6
1011.01434	0.2
1169.49438	17.8
1170.50122	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	114.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71581	0.6
55.55108	0.5
58.26860	0.6
66.03486	3.3
66.22509	0.5
67.09184	0.6
71.01377	13.1
71.15258	1.1
86.02499	1.8
98.16794	0.5
112.04060	0.9
114.05608	100.0
115.00359	1.1
115.05954	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	114.0561
Annotation	L-Proline
Peak:m/z	Relative Intensity
58.48375	0.7
60.33977	0.5
66.03496	3.0
68.60796	0.6
70.85167	1.3
70.85505	1.1
71.01395	3.0
77.92502	0.6
82.63032	0.6
86.02481	2.1
100.71827	0.6
112.04040	0.9
114.05608	100.0
115.05969	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	1133.7712
Annotation	Unknow
Peak:m/z	Relative Intensity
78.49973	0.1
83.01398	0.1
83.05021	0.3
84.02171	0.2
84.41559	0.1
85.02946	0.8
85.27879	0.1
89.02457	0.6
97.50993	0.1
99.00874	0.2
101.02445	1.2
111.00851	0.1
113.02461	1.1
119.03476	0.3
124.01649	0.1
125.02428	0.3
143.03462	0.3
159.02982	0.2
161.04533	0.4
172.33810	0.1
195.17479	0.1
197.19099	1.0
221.19112	0.8
223.20660	4.0
224.20975	0.2
225.22223	53.2
226.22560	2.7
226.24800	0.1
249.18576	5.8
250.18944	0.3
253.21695	1.4
269.21140	0.5
271.22763	100.0
272.23108	4.7
449.29120	0.2
467.29837	0.6
575.31989	0.2
611.34326	16.6
612.34650	1.8
629.35382	7.9
630.35687	0.8
676.36151	0.1
857.04919	0.1
861.53754	1.9
862.53961	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1129.6147
Annotation	Unknow
Peak:m/z	Relative Intensity
81.26411	0.3
83.01383	1.8
85.02953	5.9
87.00878	0.4
89.02443	2.2
95.01376	1.3
95.92159	0.3
96.96014	0.7
99.00883	1.3
101.02439	6.9
113.02460	4.5
119.03505	0.7
129.01913	0.6
148.24136	0.3
159.03015	0.6
161.04533	0.6
216.38560	0.3
261.98318	0.3
265.80862	0.3
301.21634	0.7
303.23303	6.2
304.23596	0.5
316.46478	0.3
319.22772	1.1
334.11179	0.4
440.60101	0.3
481.28040	100.0
482.28366	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	113.0609
Annotation	2-Hydroxycyclohexan-1-one
Peak:m/z	Relative Intensity
51.00721	5.4
68.99574	87.7
98.19891	14.1
111.03882	5.9
113.02473	7.3
113.06085	100.0
114.05623	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.3
57.03447	3.3
58.51892	0.9
59.54066	0.8
60.24174	0.8
66.03480	2.5
68.99332	0.6
68.99570	7.1
69.03440	0.8
71.01382	1.4
72.09244	0.7
84.02185	1.1
85.02948	8.4
86.02476	0.9
87.88570	0.8
92.13060	0.7
113.02460	5.8
113.06099	8.2
114.05611	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1133.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95902	9.3
83.97620	0.5
87.01254	0.6
93.20152	0.6
142.94028	0.7
152.99565	8.0
171.00641	0.7
208.50549	0.6
245.04407	1.5
277.21710	31.0
278.22012	2.0
279.23196	0.8
438.13113	0.8
450.13205	0.8
451.14304	0.8
452.14999	2.4
466.16531	0.8
481.15085	6.6
482.15701	1.6
493.15140	1.7
495.16702	12.8
496.17099	2.3
503.24115	1.6
505.25732	22.1
506.26294	1.7
507.16837	1.1
508.17453	1.1
509.18250	1.0
512.12836	1.4
521.14807	1.0
535.16217	1.3
536.17041	2.5
538.14337	1.0
540.17206	3.5
551.19385	36.9
552.19635	7.7
553.19293	1.3
554.18304	1.1
555.18793	1.3
568.16046	1.0
572.15497	3.6
573.15259	0.8
586.16858	2.8
595.18036	1.4
627.20966	100.0
628.21179	19.2
629.21210	6.5
630.21039	1.2
1133.47180	10.1
1134.47107	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	1125.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
78.64352	0.2
83.01393	1.1
84.02151	0.2
85.02950	3.6
87.00877	0.8
89.02444	13.6
95.01391	1.6
97.81664	0.2
99.08169	0.3
101.02444	12.0
107.01390	0.4
113.02450	7.0
119.03505	7.0
131.03545	0.6
143.03508	0.5
143.07140	0.4
149.04552	0.4
151.00372	1.6
161.04518	0.3
161.08182	0.8
163.00380	0.2
172.01460	0.2
173.04547	0.2
178.99847	0.6
179.05542	0.9
179.66469	0.2
191.05652	0.4
199.03996	0.6
214.02740	0.3
215.03487	0.3
217.25731	0.2
226.02788	0.2
227.03487	1.0
242.02162	2.2
243.02971	3.5
244.03601	0.3
245.00874	0.6
255.02994	1.6
256.72595	0.2
257.04526	0.9
257.15775	0.2
270.01663	4.6
271.02454	5.9
272.03110	0.5
285.04095	2.6
286.04645	0.6
287.05530	0.4
298.01266	1.1
299.01959	7.1
300.02719	5.9
313.03531	10.6
314.04312	14.0
315.05078	13.8
315.08939	0.3
316.05139	0.8
323.13458	100.0
324.13766	4.6
324.17535	0.2
339.05142	0.3
357.05954	0.5
459.09372	0.3
461.07431	0.3
476.09579	1.3
477.10480	0.4
639.15643	48.1
640.15967	4.8
681.16956	0.2
801.21625	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	1123.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
79.98917	1.3
85.02957	9.1
87.00878	2.2
87.01470	1.2
93.03453	6.0
96.96009	1.3
107.01218	1.3
108.02123	1.4
111.04538	1.4
127.03992	2.6
171.04535	1.3
173.04498	3.6
191.05615	41.7
191.07376	2.1
199.03970	3.3
200.14056	1.4
211.04068	3.1
223.04041	5.4
225.05624	3.2
226.02681	2.7
227.03439	3.2
235.03983	1.4
239.03490	4.1
240.04204	4.3
241.05098	11.6
242.05437	1.2
242.39093	1.3
251.03490	2.6
253.01349	1.6
253.04974	2.3
254.02287	2.5
255.03047	10.3
266.01987	1.7
267.03000	9.0
269.04468	10.1
279.03003	5.1
280.03842	3.0
283.02567	2.6
284.03110	2.3
285.03995	3.5
295.02457	13.5
296.03238	1.6
297.03983	9.8
307.02316	1.6
311.01953	2.6
315.06573	4.6
316.07309	2.3
317.07718	1.8
323.01984	17.4
324.02722	10.4
325.03397	2.4
327.06607	2.6
328.07306	2.7
329.08145	2.1
331.06119	2.5
343.06122	6.3
344.06812	3.2
345.07596	5.5
359.05405	1.9
371.05460	5.5
372.06226	4.4
373.07089	5.6
375.05002	2.3
391.08347	1.9
399.05304	2.5
400.05771	18.2
401.06610	23.5
403.04483	12.1
417.06119	1.8
418.06924	22.6
419.07635	26.8
420.08145	3.2
444.04819	4.9
445.05396	5.1
455.63425	1.6
607.10852	2.1
609.14893	3.1
637.12317	6.3
649.14001	2.7
725.17218	12.6
742.01685	1.3
743.18304	32.1
744.17896	3.2
769.16199	100.0
770.16742	8.5
811.18414	7.6
931.21539	25.3
932.20978	3.6
943.21570	2.5
949.22369	6.9
961.22498	25.3
962.22296	4.4
1003.23584	3.4
1123.28027	6.3
1124.26306	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	1123.4897
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95904	67.9
80.96497	0.4
85.45969	0.2
95.72073	0.2
96.96960	4.9
98.19778	0.5
130.87990	0.3
150.98016	0.8
152.99583	67.3
153.99973	0.6
171.00638	18.3
226.27191	0.2
227.03256	4.0
230.36389	0.3
245.04300	81.0
246.04599	1.6
253.21715	41.4
254.22096	1.9
255.23312	1.0
322.17264	0.2
408.25238	0.2
456.72449	0.3
480.30911	0.5
481.25702	100.0
482.26044	6.3
540.25049	0.2
602.91864	0.2
638.63342	0.3
795.22345	1.3
824.95105	0.2
895.45215	0.9
1123.48987	19.9
1124.49182	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	1119.6318
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01383	1.7
83.05013	0.2
85.02950	6.2
86.00085	0.3
87.00885	1.3
89.02447	7.1
95.01384	1.1
97.02942	0.8
97.06538	0.3
99.00886	1.1
101.02446	10.3
111.00853	0.9
113.02456	5.3
119.03512	2.9
125.02477	1.0
127.11229	0.3
129.01958	0.5
131.03520	0.7
137.09714	0.2
141.01953	0.4
143.03450	0.6
149.04625	0.2
159.02968	0.7
161.04559	2.2
171.10237	2.3
179.05585	0.6
183.13937	1.2
192.84773	0.2
209.11821	0.4
211.13350	2.7
221.06612	0.6
221.11787	0.5
229.14386	2.0
230.14615	0.2
239.12848	0.3
291.19611	0.4
321.70117	0.2
327.21741	10.8
328.22086	0.8
467.29941	0.7
611.33984	0.3
629.35388	6.3
630.35815	0.5
657.32062	0.2
791.40680	100.0
792.40991	14.7
793.41589	0.7
966.54401	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1119.6313
Annotation	Unknow
Peak:m/z	Relative Intensity
78.56702	0.1
83.01387	1.6
84.02167	0.1
85.02950	6.4
86.03275	0.1
87.00871	1.0
89.02444	8.8
95.00817	0.1
95.01385	1.8
97.02935	0.4
98.20766	0.2
99.00883	1.3
101.02441	10.6
111.00884	0.6
113.02450	8.2
114.02821	0.1
119.03502	3.3
119.08668	0.2
124.01640	0.2
125.02435	0.3
125.09721	0.1
127.11303	0.1
129.01942	0.6
131.03500	0.3
137.09718	0.5
143.03517	0.6
149.04535	0.1
159.02972	0.5
161.04562	1.2
171.10272	2.6
172.86491	0.1
179.05585	0.5
201.11348	0.5
213.11255	0.1
309.20657	0.1
327.21744	1.3
467.30020	0.7
600.52222	0.1
611.33978	0.4
613.35718	0.3
629.35400	7.2
630.35486	0.8
749.23138	0.1
791.40637	100.0
792.41010	13.0
793.41370	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	1111.5523
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05059	0.6
82.02981	3.2
83.42161	0.3
83.87720	0.3
84.00887	0.5
84.04542	2.2
85.02971	0.4
87.05648	2.2
88.04041	3.9
93.03465	1.6
98.02477	0.5
101.07223	1.4
101.89156	0.3
102.05608	11.4
103.05941	0.3
109.04076	0.9
110.02473	3.4
112.04037	0.9
113.07204	4.0
114.05662	0.4
115.08762	4.8
123.05649	0.7
124.04048	1.5
125.05885	0.3
125.07221	1.0
126.05619	0.4
126.06709	0.7
127.05137	4.3
128.03540	62.1
129.03891	0.9
129.06725	1.0
129.10344	1.3
130.05101	4.2
130.08727	5.0
139.08798	0.8
140.06007	0.4
140.07167	0.8
141.06712	0.9
141.10333	0.7
143.08330	0.6
144.07802	1.7
146.04584	7.3
149.07217	0.4
151.08755	0.7
152.07152	0.7
153.06679	0.5
153.10368	1.4
155.08296	1.4
155.11879	1.8
157.13510	1.7
165.06798	0.4
165.10350	1.5
166.06219	0.6
166.08707	0.5
167.04623	1.4
168.07782	0.6
168.11472	0.4
169.06178	0.4
169.09808	0.9
171.14995	1.9
173.04543	1.0
180.10272	0.4
181.09825	0.3
181.13472	1.1
182.13087	0.4
183.11378	3.1
183.15027	0.4
184.07240	0.5
185.05650	0.6
186.12573	0.4
187.07266	1.4
191.05615	0.6
193.13437	2.8
194.09393	0.4
195.07813	0.5
197.12976	0.4
200.14008	0.8
201.12491	1.7
207.08847	1.0
209.12970	1.7
210.16176	1.1
211.14537	0.6
215.13965	1.3
224.10500	0.6
225.08688	0.4
226.12047	0.3
226.15611	4.1
228.17137	1.4
238.19257	0.8
239.06770	2.4
242.18709	1.4
254.15106	0.9
254.18626	0.7
256.20447	1.8
269.13852	1.5
270.14355	0.5
286.17648	3.3
292.13058	0.9
300.19284	0.7
307.21408	6.1
308.21823	0.4
319.17905	0.4
325.22406	6.1
326.22809	0.3
335.24399	0.5
337.18860	0.6
339.20432	0.4
369.28635	0.5
385.24448	1.6
397.24680	0.5
436.25607	1.1
448.32596	0.9
449.14606	1.6
449.21185	0.5
464.32428	0.4
466.33926	1.1
493.27823	0.4
510.32962	5.0
511.33301	0.5
524.29724	0.4
565.29871	0.4
595.38336	2.9
621.36066	1.2
639.37250	4.8
640.38031	0.4
704.40289	0.3
750.40576	2.0
768.41302	1.8
879.45038	0.9
920.48346	1.0
938.47949	0.5
964.50330	0.9
982.50653	3.0
983.51239	0.4
1049.51526	3.0
1067.52563	11.0
1068.53186	2.2
1093.54211	3.5
1094.54590	0.9
1111.55212	100.0
1112.55396	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	111.0089
Annotation	2-Furoate
Peak:m/z	Relative Intensity
54.87444	1.4
55.01866	4.9
57.38639	1.5
67.01891	45.1
71.01382	1.8
71.22569	2.5
71.83812	1.4
78.95905	100.0
79.39759	2.0
83.01380	13.5
102.29269	1.8
108.05263	1.6
110.97601	2.6
110.98560	2.7
111.00887	52.4
111.02035	2.2
112.01238	3.7
112.04031	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	111.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01967	1.0
55.01878	21.0
66.03506	1.4
67.01890	67.0
67.94907	0.9
68.02216	2.1
69.39986	3.1
69.40404	5.1
71.01387	5.4
73.90135	0.8
78.95428	1.7
78.95902	50.4
83.01385	58.1
83.05026	2.6
84.01700	1.8
84.04564	1.2
85.02938	1.7
85.21707	1.0
110.97565	2.3
111.00877	100.0
111.02003	32.7
111.04514	1.8
112.01184	5.6
112.02358	1.8
112.04066	3.0
117.71745	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1104.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95904	2.1
85.77184	0.2
100.29580	0.1
120.73281	0.2
140.01196	0.2
214.04759	0.2
227.42522	0.2
229.14154	0.2
251.93117	0.1
279.23297	6.8
280.23605	0.5
287.83411	0.2
368.44113	0.2
437.12149	0.3
438.13132	0.4
439.14008	0.2
450.13248	0.3
451.13934	1.0
452.14896	2.5
453.15091	0.5
455.09531	0.2
464.14517	0.2
465.15701	0.7
466.16339	0.7
467.17722	0.3
467.98743	0.2
469.11517	0.6
476.27802	1.2
478.12442	0.2
479.17221	0.6
480.13803	1.1
481.14966	7.1
482.15363	0.8
484.13980	0.5
493.15140	1.7
494.15887	0.9
495.16782	13.0
496.17218	2.2
498.15408	0.2
502.15222	0.3
507.16458	1.0
508.18036	1.6
509.18588	1.2
511.16956	0.2
512.13037	1.7
513.13757	0.2
519.16724	0.2
521.14783	0.7
522.15308	0.3
523.16644	0.6
523.19330	0.7
524.17780	0.2
525.15289	0.2
526.14990	0.8
533.18201	0.6
535.16156	1.9
536.17047	2.7
537.17267	0.3
539.15808	1.0
540.16998	2.6
541.16504	0.5
549.17999	0.2
550.16058	0.2
551.19379	39.2
552.19611	6.0
553.17175	0.7
554.18555	1.6
555.18695	1.2
567.19214	0.7
568.15741	0.7
572.15521	3.6
573.15668	0.7
577.26941	0.2
583.22034	0.5
586.17108	3.9
587.17401	0.7
595.18304	2.0
596.18115	0.3
600.18835	0.3
627.20966	100.0
628.21228	15.5
894.77747	0.2
1104.49304	1.6
1105.49817	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1100.6518
Annotation	Unknow
Peak:m/z	Relative Intensity
76.10632	1.1
78.13799	1.2
78.95895	11.4
78.98598	1.1
79.50909	1.2
80.96522	5.9
82.96117	6.2
82.96924	1.4
91.77016	1.0
94.98076	1.5
96.35567	1.2
96.97680	1.3
105.00436	1.0
107.74221	1.2
109.96960	1.3
118.13100	1.4
152.99622	7.3
164.98578	1.8
168.04324	1.5
185.03767	1.2
225.00726	1.4
227.00304	1.9
242.07988	3.5
255.20192	1.1
262.22458	1.3
279.23285	100.0
280.23611	70.5
281.23941	24.7
282.24158	4.5
286.13937	1.2
301.04123	1.3
433.23538	3.0
496.52307	1.3
504.30963	58.6
505.31296	52.5
506.31497	40.0
507.31793	16.2
577.26642	1.7
578.27045	3.9
579.26917	10.8
580.27258	15.0
581.32349	90.5
582.32874	5.8
655.67554	1.2
862.71576	1.3
1057.84949	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	1098.6209
Annotation	Unknow
Peak:m/z	Relative Intensity
115.30579	15.8
117.96243	20.5
139.45792	19.6
222.28041	17.4
252.63899	19.1
757.40454	100.0
758.40289	25.9
775.41016	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1098.6207
Annotation	Unknow
Peak:m/z	Relative Intensity
80.79114	14.2
88.78474	13.0
98.19995	19.8
101.02435	27.6
106.60082	12.6
113.02464	15.6
152.19775	15.1
194.62740	11.8
277.21686	38.2
278.22116	23.0
437.73041	14.8
466.37015	14.7
613.35309	16.7
674.20868	14.9
757.40302	58.3
758.40546	62.1
759.40753	100.0
760.41284	52.3
775.40924	24.4
777.42609	24.3
778.42670	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.6784
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95903	6.0
78.98596	1.1
79.95733	2.0
80.96517	11.7
81.03445	0.1
81.96454	0.2
82.96119	0.2
85.02947	0.4
87.00872	0.5
94.98086	3.0
95.01366	0.1
96.96019	0.2
96.96952	0.1
97.02949	0.3
100.22076	0.1
101.02440	0.6
106.98088	0.5
122.97591	1.0
125.02441	0.6
126.02832	0.1
127.04007	0.2
127.70773	0.1
134.97604	0.9
136.99159	0.3
148.99142	1.3
149.99388	0.1
152.98593	1.2
152.99615	1.3
164.98619	2.5
165.98947	0.3
168.04337	1.5
182.99680	0.5
206.99690	0.8
208.60901	0.1
224.06921	1.1
225.00735	5.0
226.01158	0.6
242.07973	2.5
243.01910	0.5
261.22266	0.4
277.21753	0.5
278.21973	0.1
279.23276	100.0
280.23627	5.5
299.04492	0.6
300.04727	0.3
416.73602	0.1
504.30951	76.8
505.31293	5.9
505.37704	0.1
519.27307	0.5
577.26862	18.1
578.27100	18.8
578.34851	2.1
579.27014	2.2
579.34961	0.2
609.92804	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.6777
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95902	19.3
78.98586	1.7
79.95729	4.3
80.96514	22.3
81.03445	0.2
81.96449	0.2
82.96095	0.5
85.02940	0.8
87.00865	0.7
94.98083	6.1
96.96009	0.5
96.96957	0.3
97.02957	0.4
98.03288	0.2
99.00924	0.2
101.02439	0.7
106.98071	1.1
112.28481	0.1
118.27152	0.2
122.97569	1.3
122.98527	0.6
125.02438	1.1
125.06788	0.1
127.03980	0.4
134.97581	2.0
134.98505	0.2
136.99142	0.5
148.99127	2.0
149.99510	0.2
152.98575	1.7
152.99594	2.8
157.32787	0.2
164.98622	4.1
165.98984	0.3
166.98157	0.2
168.04292	3.2
194.05888	0.3
206.99692	1.0
224.06915	8.1
225.00720	7.4
225.07185	0.3
226.01064	1.0
227.00314	0.3
232.69858	0.2
242.07993	1.9
261.22165	0.4
277.21625	0.7
278.21988	0.3
279.23264	95.0
280.23605	5.4
299.04376	1.4
300.04639	0.3
334.97662	0.2
438.90530	0.2
476.27756	0.2
477.28168	0.2
504.30933	100.0
505.31253	7.1
505.38879	0.3
519.27222	0.7
577.26825	31.1
578.27106	35.1
578.34290	2.2
579.27094	3.7
579.35565	0.3
1136.02356	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1096.6006
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95905	1.6
78.98590	2.9
78.99052	0.1
79.95363	0.1
79.95732	6.3
80.96514	34.7
81.03448	0.4
83.01395	0.1
85.02944	1.3
87.00874	1.3
87.01380	0.1
91.04003	0.1
93.97305	0.1
94.98085	9.0
95.01392	0.3
96.96011	0.6
97.02953	0.9
98.20544	0.1
99.00859	0.4
99.04523	0.2
101.02436	1.6
106.98092	1.8
113.02433	0.2
120.99677	0.1
122.97582	3.4
125.02440	1.9
127.04014	0.6
134.97583	2.5
136.99149	0.9
143.03505	0.1
146.97604	0.2
148.99133	3.8
152.98611	4.6
152.99530	0.3
153.99028	0.1
155.75757	0.1
161.04535	0.1
164.98621	7.4
167.00208	0.3
168.04341	0.4
171.00668	0.1
176.98691	0.1
179.00185	0.2
182.99667	1.7
188.98593	0.3
206.99670	2.3
208.56561	0.1
224.06949	0.3
225.00729	15.0
226.01068	0.4
232.52473	0.1
242.08014	0.7
243.01776	1.4
261.22183	0.1
274.76669	0.1
277.21725	2.1
278.22012	0.1
279.23267	27.8
299.04379	2.8
300.04547	0.1
312.98898	0.1
317.05399	0.2
476.27502	0.1
485.45389	0.1
504.30936	21.8
519.26990	0.2
577.26819	100.0
578.27106	9.4
578.34430	0.6
812.16022	0.1
824.59210	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1096.6006
Annotation	Unknow
Peak:m/z	Relative Intensity
75.75922	0.1
78.95911	3.3
78.98588	2.9
79.95741	5.6
80.96517	33.3
81.03454	0.3
83.01383	0.1
85.02951	1.3
87.00877	1.4
89.20898	0.1
94.98086	8.9
95.01400	0.2
96.96020	0.7
97.02953	0.7
98.20667	0.4
99.00861	0.4
101.02429	1.2
103.02991	0.1
106.98078	1.6
113.02464	0.3
122.97594	1.7
125.02444	1.6
127.04002	0.5
134.97578	2.4
136.99153	0.8
146.97621	0.2
148.98128	0.1
148.99133	3.5
152.98598	3.2
152.99626	0.5
164.98625	7.2
167.00104	0.3
168.04335	0.5
179.00133	0.2
188.98651	0.2
206.56406	0.1
206.99716	1.6
224.06917	1.3
225.00737	12.2
226.00996	0.4
242.08025	0.4
255.63206	0.2
277.21719	1.3
279.23285	16.1
299.04376	3.0
476.27817	0.3
504.30960	18.3
539.50781	0.2
577.26849	100.0
578.27142	8.3
791.61609	0.1
805.13959	0.1
1113.92065	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1095.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01398	0.9
85.02953	3.9
87.00874	0.7
89.02442	14.2
91.40605	0.2
93.03459	0.4
95.01374	1.8
99.00904	0.2
101.02442	11.9
103.78153	0.3
107.01401	0.6
110.02539	0.2
113.02447	7.1
117.03494	0.3
119.03504	7.0
119.04340	0.5
131.03532	0.6
132.02167	0.3
135.00916	0.3
143.03503	0.8
143.07124	0.4
149.04572	0.4
151.00377	2.2
159.04448	0.3
161.04549	0.5
161.08185	0.7
163.00409	0.3
166.66740	0.2
178.99876	0.9
179.05574	0.8
179.31868	0.3
179.37762	0.2
183.04488	0.9
185.06032	0.3
189.05475	0.3
211.04039	1.1
213.05595	0.4
227.03487	9.8
227.05733	0.5
228.03912	0.4
229.05074	0.9
239.03577	0.6
241.05029	0.4
255.02979	30.0
256.03510	2.6
257.04602	1.1
282.05432	0.3
283.02475	34.3
284.03244	38.6
285.04013	20.5
286.04410	0.7
309.04053	0.3
323.13455	100.0
324.13748	5.3
326.04294	0.8
327.05103	0.7
398.78055	0.3
429.08337	1.5
446.08545	4.6
447.09192	0.9
609.14587	92.2
610.14905	9.6
771.19873	9.2
772.20544	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	1093.6468
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95905	7.7
83.05006	0.1
91.26012	0.1
96.39571	0.1
96.96970	0.2
97.06571	0.1
112.36690	0.1
127.07661	0.2
128.57846	0.1
152.99574	1.6
168.04294	1.7
171.00609	0.2
205.19739	0.1
222.69452	0.1
224.06914	1.2
233.22708	0.6
242.07979	3.1
259.20694	0.6
275.20178	0.6
277.21701	100.0
278.18936	0.2
278.22040	5.2
502.29382	93.2
503.29712	6.4
517.25708	0.7
567.81580	0.1
569.80090	0.1
572.74500	0.1
576.33051	3.2
577.33740	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1093.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95729	1.2
81.03454	1.9
83.01392	7.6
85.02451	2.7
85.02948	36.9
86.00085	4.5
87.00874	15.5
87.04511	3.7
89.02446	21.7
95.01397	6.7
97.02926	8.2
99.00861	6.7
99.04523	2.2
101.02438	43.3
103.04021	3.7
109.02959	2.7
111.00859	5.1
111.54711	1.2
112.01641	1.6
113.02450	32.7
115.03958	2.7
119.03502	8.2
123.00915	2.5
124.01659	24.8
125.02454	14.3
127.04025	6.4
129.01941	2.2
131.03502	1.7
137.02374	1.9
141.01927	1.6
142.02731	2.4
143.03494	10.0
144.03894	1.3
145.05074	2.6
159.02922	2.3
161.04552	6.6
163.06113	3.4
170.53706	1.1
179.05576	1.5
201.81189	1.1
247.08214	1.6
254.59860	1.3
308.44666	1.5
348.57654	1.1
385.23050	1.3
389.29520	1.2
397.27469	1.8
449.28967	2.8
467.30038	5.9
575.32251	1.7
593.33118	1.8
595.34790	3.3
611.34351	10.4
613.36298	7.0
629.35510	10.4
655.36633	1.5
703.36975	2.2
721.38110	9.2
739.39050	17.7
757.40155	53.6
758.40210	5.8
775.41058	33.8
776.41107	2.1
789.36157	1.4
799.41064	13.7
800.41571	1.5
817.42230	28.4
818.43420	3.0
859.43390	3.3
861.95013	1.4
885.44946	38.9
886.44580	6.9
903.45868	100.0
904.46124	11.6
921.29156	2.5
921.47028	41.2
922.47430	6.0
945.27374	2.1
945.46948	63.0
946.47198	9.2
963.48004	89.6
964.48822	13.9
1005.48956	32.1
1006.49207	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	1092.6605
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95904	5.6
91.87992	0.2
94.74945	0.2
96.97004	0.2
101.02434	0.3
106.13003	0.2
131.73074	0.2
152.99622	1.6
168.04289	1.4
177.95160	0.2
201.45512	0.2
224.06921	1.0
242.07959	2.5
253.09268	0.9
261.22241	0.5
277.18851	0.3
277.21704	4.4
279.23270	100.0
280.23621	4.9
362.23389	0.2
433.23404	0.6
470.06070	0.2
481.28040	0.7
504.30948	77.9
505.24316	0.3
505.31287	5.3
519.27167	0.6
578.34589	2.9
579.34833	0.3
629.35431	1.4
638.52399	0.2
648.39661	0.2
769.88702	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1076.637
Annotation	Unknow
Peak:m/z	Relative Intensity
109.50296	49.8
111.11487	58.2
120.02425	63.0
143.22488	61.9
211.17786	56.8
556.45343	67.9
665.90656	63.6
718.64581	76.7
757.40387	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1081.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00894	0.2
77.46397	0.1
78.95886	0.2
83.01388	3.5
83.01883	0.2
85.02945	0.7
87.00894	0.4
89.02443	1.1
93.03474	0.5
95.01402	0.5
97.02956	0.3
99.00883	0.3
101.02445	7.6
107.01389	1.4
108.02158	0.1
109.02905	0.2
113.02447	3.0
114.43028	0.1
117.03435	0.1
119.01397	0.1
119.03503	1.1
125.02462	0.4
131.03499	0.8
132.02177	0.4
135.00880	0.6
137.02448	0.1
143.03511	1.0
143.05009	0.4
145.02943	0.2
149.04536	2.1
150.99178	0.2
151.00383	3.0
152.01102	0.3
152.99548	0.2
155.03502	0.4
157.06555	0.2
159.04527	0.4
161.04564	3.3
163.00374	0.9
164.01109	0.4
167.04962	0.2
167.63647	0.1
169.01405	0.4
169.06601	0.3
171.04539	0.3
173.06104	0.1
178.99821	0.9
181.12405	0.2
183.04504	0.6
185.02385	0.3
185.06082	0.8
187.04039	0.7
189.05525	0.4
190.99870	0.2
191.05560	0.2
192.00616	0.2
195.04483	0.3
197.06090	0.3
199.03973	0.5
200.04848	0.2
201.05551	0.2
203.05649	0.5
207.10291	0.3
211.03976	1.4
213.05466	0.7
215.03459	0.3
221.06689	1.3
225.11345	0.5
227.03488	24.6
228.03893	1.2
229.05038	3.7
239.03503	0.7
240.04236	0.3
241.05038	0.8
243.02887	0.2
243.12350	0.4
255.02977	46.0
256.03552	4.1
257.04541	3.2
258.04984	0.2
267.02859	0.2
281.04861	0.2
283.02444	1.6
284.03250	64.4
285.03998	31.4
286.04395	1.4
309.04114	0.3
327.05093	0.5
339.05136	0.3
429.08115	1.1
464.54071	0.1
471.16473	2.0
471.27191	0.3
472.16455	0.2
489.10452	0.2
609.14575	100.0
610.14929	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	1075.4935
Annotation	Unknow
Peak:m/z	Relative Intensity
97.94257	0.5
99.00906	0.8
99.92587	47.7
100.92596	1.6
100.93338	1.0
111.00906	0.7
114.93447	1.2
114.94980	0.5
115.92078	37.7
116.92860	100.0
117.92858	2.7
117.93578	0.5
140.92896	1.2
141.02051	0.5
141.93645	2.6
142.94405	2.1
156.92352	1.2
158.93954	0.8
169.93111	0.6
174.93367	0.7
184.91945	0.9
185.92691	0.6
186.93431	1.4
196.95535	0.9
226.96539	0.7
242.95988	1.1
244.97466	0.7
259.96304	2.1
262.29437	0.5
262.56033	0.6
277.21732	0.7
347.70801	0.5
353.20642	0.5
393.13773	0.8
395.21838	0.5
531.21063	0.8
533.22278	2.5
534.22565	0.5
575.23199	1.8
793.43317	1.3
921.48676	1.2
935.45514	2.6
953.47363	4.0
954.47192	1.4
977.47101	1.1
989.49036	3.1
995.48645	1.6
996.48761	0.7
1031.50562	8.7
1032.51221	2.4
1075.49463	10.9
1076.49536	2.8
1081.81348	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1075.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
93.89743	0.4
96.96001	1.2
97.94634	0.4
99.00865	1.1
99.92586	53.9
100.92671	1.8
100.93369	1.6
113.92567	0.4
114.93388	1.1
114.94937	0.6
115.92079	43.0
116.92861	100.0
117.92883	3.6
117.93632	0.8
126.94918	0.8
128.32855	0.4
131.91550	0.5
132.92334	0.7
141.93639	2.2
142.94434	2.0
154.94402	0.4
156.92314	0.6
158.93884	0.4
169.93132	1.0
170.93921	1.1
171.34425	0.4
171.94580	0.4
174.93407	0.5
183.94614	0.5
184.91867	1.8
196.95520	0.8
197.96208	0.5
198.93300	0.9
211.94098	0.4
212.94989	0.4
224.94972	0.6
226.96445	0.9
230.04897	0.5
235.26770	0.4
241.95027	0.4
242.96104	0.5
243.96838	0.5
259.96194	3.1
277.21722	1.9
278.27036	0.5
301.97205	1.1
362.96558	0.6
393.13699	0.8
520.18005	0.4
521.18073	0.4
523.20032	0.5
531.20422	0.9
533.22241	3.5
534.22754	0.8
549.21411	1.5
575.23254	2.7
577.20734	0.5
591.22852	0.7
657.23572	0.6
671.34778	0.4
675.25781	0.5
757.77008	0.4
793.43677	2.4
794.43372	0.6
809.43298	0.9
921.47949	1.1
935.46625	2.7
939.49310	0.5
953.47217	8.3
954.47064	1.9
971.47955	1.0
977.47461	1.9
989.49414	7.4
990.49786	1.7
995.47614	2.9
1013.49976	1.9
1014.47760	0.5
1031.50488	12.7
1032.50647	3.2
1075.49243	18.5
1076.49890	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	1070.5877
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02928	22.4
101.02469	38.9
108.91622	15.3
114.06305	16.8
124.48203	19.6
126.90063	18.1
158.28484	19.3
230.75584	19.3
249.18724	27.6
250.18959	22.9
332.83234	21.6
722.67493	22.7
757.40039	43.7
758.40381	55.6
759.40753	100.0
760.40466	75.0
776.40942	23.3
778.41565	25.3
1017.57208	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	1070.5897
Annotation	Unknow
Peak:m/z	Relative Intensity
91.99825	24.1
109.78248	27.2
153.63850	25.3
154.74582	27.9
199.33997	26.6
230.08269	35.5
757.40161	100.0
758.40399	29.2
759.41357	54.4
775.41144	62.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1065.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
85.06573	0.9
86.23129	0.4
93.03474	0.5
100.96102	0.4
101.02400	0.7
102.17443	0.5
102.58614	0.4
102.98982	0.5
107.01376	0.6
109.65347	0.5
117.03374	0.5
131.07146	2.9
132.35146	0.5
141.31897	0.5
151.00366	2.3
159.04456	0.5
163.00250	0.8
166.92572	0.5
178.99846	1.3
182.03662	0.5
183.04466	1.5
185.06075	0.6
211.04005	1.3
213.05612	0.5
227.03473	9.3
229.05022	1.5
239.03711	0.6
255.02982	28.8
256.03598	2.5
257.04562	1.7
283.02466	40.0
284.03241	35.8
285.04019	39.8
286.04303	2.1
293.07538	0.7
293.09937	0.4
293.12503	5.2
326.04108	0.5
327.04980	1.2
343.49820	0.5
356.46582	0.5
429.08206	1.0
446.08542	6.4
447.09116	1.4
609.14575	100.0
610.14856	8.9
771.19904	15.9
771.31323	0.3
772.20685	1.4
836.42133	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.6419
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95904	0.3
81.03464	0.2
83.01387	2.3
85.02946	6.7
87.00865	0.8
89.02446	7.5
89.79694	0.2
91.22175	0.2
95.01382	1.3
97.02949	0.6
99.00873	1.2
101.02443	10.9
103.03973	0.4
111.00873	1.4
113.02448	5.7
119.03504	2.6
125.02432	0.7
129.01933	0.5
132.43019	0.2
141.01910	0.5
143.03490	0.8
147.11636	0.2
159.02974	0.5
161.04568	1.3
165.24699	0.2
238.90285	0.2
285.12552	0.2
287.22263	6.3
288.22681	0.3
307.10349	0.2
372.73260	0.2
410.22137	0.2
467.30136	0.5
611.34454	1.7
612.34064	0.2
613.35895	0.6
629.35382	9.9
630.35608	1.4
771.30231	0.2
775.41168	100.0
776.41541	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	1061.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
74.02459	1.4
82.01710	0.6
82.02981	1.2
83.02507	1.6
84.00905	0.9
85.04086	0.7
87.05620	0.7
93.03448	2.5
95.02504	0.8
96.04541	0.9
97.00469	0.4
98.01212	1.0
99.02007	9.7
106.04230	0.6
107.05045	0.5
109.04070	0.5
110.01182	0.7
110.73534	0.4
111.01984	1.6
113.03557	1.4
113.07170	0.3
115.08803	2.4
116.05071	3.1
119.05025	7.7
123.05627	0.4
123.09325	0.5
124.02760	0.5
124.04002	0.6
124.62765	0.3
125.03498	0.4
125.07175	3.0
126.09225	0.6
127.05143	2.3
127.08783	0.7
128.03584	0.7
128.04625	0.6
129.10361	1.8
130.06465	0.4
131.03748	0.5
131.04630	0.6
133.05298	1.0
134.06122	2.5
135.05630	0.8
136.03932	0.5
136.07629	0.9
137.03506	0.5
137.07187	2.4
138.05562	1.2
139.05086	0.5
139.08771	1.7
140.07199	0.4
141.06691	2.2
141.10300	0.8
142.06644	3.4
148.07706	0.4
149.07191	0.8
151.05124	1.9
151.08754	3.2
152.05946	0.7
152.07101	0.5
153.06691	5.3
153.10374	0.4
154.09859	0.9
155.03383	1.1
155.07062	0.5
155.08279	9.4
156.04250	0.7
157.07625	0.4
160.04057	0.7
162.05580	1.6
163.04015	5.0
165.06636	0.8
165.10309	1.2
166.09792	1.0
167.08255	3.1
168.04543	0.8
168.11443	3.2
169.09813	3.8
170.09369	3.0
172.10919	5.4
176.07037	0.4
177.06720	0.9
179.04602	3.0
179.08209	0.8
180.06659	14.0
181.09773	1.0
182.05708	0.4
182.09349	2.3
184.07324	0.6
184.10909	1.7
185.07162	1.0
186.12468	13.0
191.08186	1.2
193.06102	1.3
193.09819	5.2
194.09331	0.9
196.10863	0.5
198.08806	3.1
200.10367	0.6
200.14069	1.2
202.09830	0.5
203.04677	0.9
205.06105	0.6
205.09813	0.7
206.09338	0.6
207.07642	0.6
208.10905	0.7
209.10373	0.7
210.08839	4.9
211.11984	0.8
212.10420	1.1
217.06139	0.8
219.07764	0.7
224.10358	0.5
224.17781	0.4
225.13629	0.8
227.09456	0.5
227.11525	6.2
229.13206	1.7
237.08788	0.9
237.13943	2.7
241.13040	1.7
243.14613	1.2
250.12010	0.6
255.10999	1.4
260.10431	0.5
263.11441	1.0
267.18304	1.0
269.13922	0.6
275.09109	1.2
277.16531	0.4
281.12885	2.3
293.12555	0.5
295.17825	1.2
304.16800	0.5
305.12924	2.0
306.18243	6.6
311.17258	2.0
316.16809	0.7
319.17795	0.4
322.15564	0.8
323.17175	0.6
324.13010	0.5
328.16589	1.4
332.16162	4.1
347.17325	0.9
363.16434	0.5
363.20456	3.9
366.14508	1.6
380.19275	1.0
387.16577	0.7
390.17761	0.7
435.23813	0.5
453.15231	0.4
462.27252	1.1
479.22824	0.7
488.25299	0.6
492.26285	0.5
529.23859	0.4
536.24976	1.0
598.26404	1.2
635.31647	0.6
661.30219	0.8
673.29993	5.0
674.31049	0.4
690.32507	4.7
691.33521	0.7
692.34930	0.5
853.38922	4.9
854.39233	0.9
880.40161	0.6
1061.47363	100.0
1062.47729	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
79.46888	0.2
93.03469	0.8
107.01388	0.4
119.05029	48.7
120.05369	1.1
120.99655	100.0
121.99985	1.0
122.99252	0.7
151.00357	0.8
163.00458	0.3
163.04005	7.5
164.04402	0.3
170.36995	0.3
183.04556	0.5
187.03999	0.3
211.03983	0.5
226.73975	0.3
227.03459	3.9
228.03905	0.3
229.05046	0.6
255.02985	12.9
256.03555	0.8
257.04465	0.7
283.02469	15.6
284.03235	13.8
285.04150	23.2
286.04501	1.3
327.05048	0.5
368.75363	0.3
377.64078	0.3
446.08408	2.4
447.09546	0.4
523.87634	0.2
609.14557	35.3
610.14874	3.2
761.38367	0.3
771.20020	5.0
772.20117	0.7
784.62311	0.3
849.03735	0.2
916.12122	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1058.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
74.02464	1.9
77.86886	0.4
82.02977	1.2
83.02505	3.2
84.00911	1.1
85.04089	1.9
87.05642	1.2
93.03469	2.1
95.02530	1.7
97.04062	0.7
98.02454	0.6
99.02008	23.1
99.05647	0.5
101.03551	0.6
104.88039	0.4
106.04231	0.5
109.04071	1.2
111.02036	2.8
111.05669	0.4
112.05170	3.5
113.03573	6.3
115.08767	1.7
116.05061	6.4
119.05038	7.6
124.04037	0.6
124.05145	0.7
125.03565	4.1
125.07224	3.2
127.05140	4.0
127.08765	0.8
128.03777	0.5
128.04695	1.9
130.06209	11.0
131.04608	0.8
133.05299	0.7
134.06114	0.8
135.05637	0.7
136.04059	0.5
136.07651	1.3
137.03578	0.8
137.07187	1.9
138.05688	0.5
139.05109	0.5
139.08762	1.1
140.04649	0.6
140.07149	0.4
141.06718	2.3
142.06639	3.1
144.07811	1.4
149.07190	1.0
151.05122	1.7
152.04677	0.5
153.06699	6.6
154.05333	0.7
154.09807	0.8
155.03329	0.8
155.08273	2.8
156.04141	1.8
156.06909	0.4
157.07700	2.0
162.05559	0.6
163.03970	4.8
164.04752	0.6
165.06718	1.2
166.06238	0.5
166.09863	1.0
167.04669	0.8
167.08241	3.1
168.04268	0.5
169.07214	2.7
170.09308	2.5
172.10960	4.5
174.05577	0.5
177.06683	0.5
179.04611	4.4
179.08420	0.4
180.06657	14.6
181.07751	2.7
182.05774	0.7
182.09364	2.4
183.05638	1.2
184.07251	0.5
184.10921	0.8
185.07108	0.8
187.08380	0.9
191.08243	1.4
192.07803	1.1
193.06152	2.0
193.09781	6.7
194.09332	0.9
197.07324	0.5
198.08813	4.4
200.10316	0.8
202.09909	1.0
205.09850	0.8
206.09328	1.5
207.07709	1.0
209.10510	0.8
210.08823	7.0
211.12015	1.3
213.06396	0.5
214.09903	0.5
215.08192	0.7
219.07669	2.5
220.10760	0.7
224.10429	0.8
225.06767	2.1
227.11499	6.3
229.13022	2.1
231.07780	0.8
237.08789	1.1
239.11423	1.0
241.13095	2.8
248.10365	1.0
250.11981	7.1
254.09384	1.1
255.11005	2.6
257.10535	0.7
260.10422	1.1
262.11859	1.6
263.07043	0.7
263.11426	1.3
276.09836	3.5
281.12585	1.4
284.13605	1.1
292.13068	0.5
293.12408	0.9
299.11737	0.5
305.12851	2.0
306.10965	0.7
307.10782	0.9
307.14099	2.9
317.12424	0.6
322.15674	1.0
324.13010	1.1
349.18936	0.5
351.13168	0.7
366.14505	2.2
406.20911	0.6
410.18195	0.7
416.19031	0.5
423.16730	1.3
435.16763	1.0
444.18509	0.5
453.18311	0.6
478.17023	0.6
480.18781	1.5
535.27197	0.5
579.26196	0.6
617.23376	1.6
621.27850	1.8
634.26556	2.2
635.24390	0.8
647.25092	3.4
664.27417	3.0
775.02612	0.5
820.34149	0.7
850.35413	4.1
851.33649	0.8
1028.42700	7.2
1029.42957	1.6
1040.42969	3.2
1041.43335	0.6
1058.43774	100.0
1059.44019	20.3
1059.67322	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1054.5545
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95910	0.7
78.98582	2.8
79.95735	6.4
80.96516	34.7
81.50160	0.7
85.51994	0.7
87.00874	2.0
94.98094	9.4
96.95997	1.2
97.02937	0.8
101.02448	2.0
101.19225	0.6
106.98080	1.4
116.92883	0.7
122.97603	2.3
125.02454	1.8
134.97614	3.2
136.99150	0.9
148.99135	2.7
149.92029	0.7
152.98619	4.5
164.98650	6.9
181.91670	0.9
182.99693	0.8
206.99667	2.6
223.76851	0.7
225.00726	16.3
243.01782	1.6
252.81007	0.7
276.66946	0.8
277.21722	1.4
279.23224	0.8
299.04413	2.2
577.26868	100.0
578.27118	8.6
1054.51709	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	1049.6799
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95908	15.5
89.79346	0.3
93.29803	0.3
122.98597	0.3
152.73262	0.3
152.99605	2.6
168.04315	2.9
224.04874	0.6
224.06920	8.1
232.41725	0.3
242.08008	1.7
255.23293	98.6
256.23636	5.5
480.30945	100.0
481.31259	8.3
495.27432	0.6
554.34656	3.0
1049.54407	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0194
Annotation	DL-Glyceric acid
Peak:m/z	Relative Intensity
59.01379	28.5
61.98838	2.1
63.60398	1.6
71.08459	2.1
71.49132	1.5
72.99306	100.0
73.99673	2.1
75.00868	26.1
95.35757	1.5
97.39130	1.5
105.01934	95.3
106.02272	4.2
108.63263	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	1051.6204
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99299	1.8
73.02943	5.5
75.00854	0.6
81.03455	1.1
83.01386	4.0
85.02456	0.8
85.02953	13.7
86.00085	0.8
87.00876	5.3
89.02445	12.0
95.01380	3.7
97.02937	3.5
99.00866	3.3
101.02442	19.8
111.00882	2.2
111.99754	0.4
113.02447	15.5
119.03507	4.4
119.32520	0.4
124.01641	1.7
125.02451	5.8
129.01907	0.9
131.03471	1.2
137.02339	0.4
141.01926	0.6
143.03485	4.2
145.05067	0.6
161.04539	5.1
179.05547	2.2
203.05559	0.7
221.06630	1.0
235.08144	1.6
245.06808	0.4
263.07629	0.5
275.20248	0.5
277.21710	26.5
278.21945	1.3
291.23431	0.5
293.07990	0.4
305.08597	0.9
339.09521	0.4
467.30017	3.1
509.31543	0.4
593.33472	0.6
611.34338	12.9
612.34393	1.8
629.35370	17.8
630.35736	1.6
725.37720	0.5
737.37433	1.5
773.39618	100.0
774.39966	14.4
791.40649	54.0
792.41235	6.8
1051.62109	3.8
1052.63123	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1046.6189
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99308	2.5
73.02933	0.5
73.62245	0.3
75.00470	0.4
75.00873	6.3
80.96518	0.4
83.01385	0.3
85.02948	10.7
87.00872	3.7
89.02438	2.2
95.01388	3.1
95.18512	0.3
99.00888	3.8
101.02439	0.5
101.45799	0.3
103.00388	1.2
112.01672	0.3
113.02450	12.5
115.00358	0.6
115.87290	0.3
117.01948	0.6
129.01930	0.4
137.06898	0.2
147.57961	0.3
149.04593	0.4
157.01447	0.3
175.02441	1.4
205.07175	1.2
223.08087	0.4
229.47858	0.3
231.05228	0.2
249.06090	2.3
267.07257	2.8
277.21710	28.0
278.22104	1.3
279.23343	0.4
423.73730	0.3
509.27557	1.0
521.23029	0.4
527.28601	100.0
528.28937	7.5
705.62903	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1035.6265
Annotation	Unknow
Peak:m/z	Relative Intensity
72.01711	0.3
72.99311	2.4
73.02949	7.8
75.00879	0.9
81.03456	0.8
83.01394	5.7
83.05003	0.3
84.02179	0.5
85.02951	19.9
86.00111	1.1
86.03296	0.4
87.00886	5.8
89.02448	14.2
95.01381	4.1
97.02952	2.7
98.20682	1.0
99.00885	3.9
99.04544	0.7
101.02447	22.1
102.02779	0.3
103.04036	2.0
109.02958	0.9
111.00896	2.5
111.04465	0.3
112.01672	1.0
113.02453	18.9
115.04022	0.7
119.03501	5.4
123.00908	0.5
124.01659	3.8
125.02458	4.3
127.04007	2.2
129.01920	1.4
131.03528	1.1
134.89481	0.3
141.01971	0.9
142.02739	0.8
143.03506	5.6
145.05069	0.9
159.02968	1.1
161.04546	4.9
163.06146	2.0
179.05608	1.1
207.53062	0.3
229.94493	0.4
247.08218	1.0
259.20599	0.4
275.20071	0.4
275.57211	0.3
277.21725	43.0
278.22131	2.8
291.23343	0.5
307.10449	0.5
338.25153	0.3
449.28940	1.6
467.30060	6.7
468.30405	0.5
524.68317	0.3
537.30457	0.5
551.93665	0.3
563.32123	0.8
575.32471	1.6
593.33313	2.5
595.35101	1.6
611.34351	28.8
612.34631	2.6
613.36029	4.2
614.36029	0.5
629.35419	32.1
630.35645	2.9
671.36700	0.5
693.39331	0.5
703.36871	0.4
709.38098	0.8
721.37909	2.8
727.39398	0.7
739.38843	0.4
757.40149	100.0
758.40515	12.9
775.41199	64.8
776.41626	8.3
889.57452	0.5
901.35193	0.4
1035.63037	4.0
1036.62549	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1035.626
Annotation	Unknow
Peak:m/z	Relative Intensity
72.01705	0.2
72.99310	2.0
73.02945	8.7
74.61809	0.2
75.00874	0.6
81.03454	1.0
83.01385	5.1
83.01888	0.3
83.05047	0.5
84.02165	0.3
85.02950	13.7
86.00094	1.3
87.00877	6.7
87.04528	1.1
89.02445	9.3
90.09594	0.2
95.01381	2.0
97.02953	3.7
99.00881	2.6
99.04510	0.5
101.02443	18.4
103.04012	2.9
109.02941	0.6
111.00858	1.3
111.04504	0.3
112.01700	0.2
113.02448	9.2
115.04015	1.5
119.03496	3.8
123.00847	0.3
124.01664	3.1
125.02453	7.3
127.04004	1.3
129.01959	1.2
131.03497	2.6
139.03943	0.2
141.01918	0.5
142.02692	0.3
143.03503	5.8
145.05077	1.7
149.04520	0.2
159.02977	0.9
161.04562	2.2
163.06126	5.6
177.04015	0.3
179.05608	0.6
187.06126	0.6
205.07175	2.7
219.08795	0.4
229.07181	0.9
232.94249	0.2
247.08246	2.1
259.20767	0.3
265.09271	0.4
275.20078	0.3
277.21707	44.9
278.22031	2.2
289.09262	0.9
291.23138	0.2
292.14859	0.2
397.27448	0.2
406.85773	0.2
429.70380	0.2
449.29208	0.8
462.31696	0.2
467.30133	3.5
468.30695	0.4
476.47372	0.2
491.30099	0.2
492.64651	0.2
509.31052	0.3
537.30695	0.5
557.31335	0.6
575.32275	1.4
593.33386	1.5
595.34827	2.2
611.34308	10.6
612.35095	1.1
613.35828	5.3
614.36255	0.5
629.24927	0.3
629.35406	6.2
630.35498	0.8
637.36285	0.3
644.56250	0.2
655.36731	0.4
667.36145	0.2
683.36566	0.7
693.38654	0.5
709.37085	0.3
721.38379	1.7
722.38239	0.2
727.39490	0.8
757.40112	100.0
758.40454	12.8
775.41180	45.8
776.41547	5.6
820.68958	0.2
1035.62134	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1035.422
Annotation	Unknow
Peak:m/z	Relative Intensity
72.00890	1.3
73.04071	9.6
73.58813	0.5
74.02463	1.4
82.02977	1.5
83.02525	3.1
84.00896	1.5
85.04075	1.4
87.05636	1.0
93.03476	2.6
95.02505	2.4
96.04527	0.7
97.00462	0.7
97.04080	1.1
98.02411	0.6
98.20687	1.0
99.02004	21.6
101.03606	0.7
107.05029	0.5
109.04067	1.5
111.01990	3.2
112.05196	3.8
113.03576	7.6
114.53848	0.5
115.08746	1.9
116.05072	6.9
119.05032	9.9
119.30305	0.5
125.03584	3.6
125.07210	3.7
127.05148	3.5
127.08757	0.9
128.03513	0.5
128.04651	0.9
130.06213	12.1
131.03748	0.6
131.04620	0.8
132.04562	0.8
133.05289	1.2
134.06158	2.9
135.04535	0.6
135.05602	1.1
136.07690	1.1
137.03535	0.8
137.07201	2.0
138.05621	0.9
139.05090	1.0
139.08792	0.8
141.06660	1.6
142.06642	3.4
144.07893	1.2
149.07158	0.9
151.05109	2.5
152.04584	0.6
152.05794	0.6
153.06693	6.9
154.06229	0.7
154.09785	0.9
155.03412	0.8
155.08308	3.7
156.04138	2.4
162.05609	2.1
163.04015	4.6
163.08737	0.7
164.04576	0.5
165.06702	0.6
166.09845	0.6
167.08250	3.0
168.04556	0.7
169.07329	2.7
170.05653	0.9
170.09386	3.3
172.10942	5.8
176.07117	0.8
177.06682	0.8
179.04588	2.6
179.08344	0.6
180.06653	13.2
181.07616	2.2
182.05716	0.9
182.09279	2.8
183.05568	0.6
184.10905	1.5
187.08382	1.2
191.05554	0.7
191.08229	1.5
192.07788	1.3
193.06137	1.8
193.09828	6.7
198.08812	4.5
203.04529	0.8
203.08171	0.6
205.06169	1.4
205.09892	1.5
206.09335	1.1
207.07735	1.2
210.08867	7.9
211.11984	2.2
217.06094	0.9
219.07767	3.1
224.10289	1.0
225.06612	2.0
227.11511	7.2
229.13034	2.3
234.08841	1.2
237.08746	1.3
239.11424	1.3
241.13063	2.2
242.09036	0.6
248.10277	1.0
250.11951	7.3
255.10907	3.2
260.10349	1.0
262.11960	2.4
263.06726	0.7
263.11450	1.0
276.09976	2.6
281.12567	1.5
284.13693	0.7
288.09982	0.7
293.12601	1.1
298.33524	0.6
305.12878	1.9
307.11005	0.6
307.14206	3.7
312.13025	0.6
314.15051	0.6
322.15628	0.7
324.13058	1.0
347.17230	1.4
366.14511	2.8
369.15320	0.7
387.16730	1.4
390.17889	1.3
391.16971	0.6
406.20749	1.2
423.16721	1.2
435.16388	0.9
480.18741	1.5
531.18756	0.6
598.26538	1.2
617.23621	1.5
634.26392	1.5
635.26202	0.6
647.24817	3.3
664.27094	4.7
666.29065	0.8
827.33093	5.2
923.32288	0.7
1005.41162	6.3
1006.41943	0.7
1017.40814	2.3
1035.42188	100.0
1036.42444	20.7
1067.93726	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
74.59973	0.8
78.95903	1.3
81.03445	2.9
83.05011	3.3
85.02946	6.1
87.00880	9.4
93.03458	92.4
94.03799	2.0
95.05044	2.1
99.04474	1.0
105.03439	5.7
108.02200	1.5
109.02945	4.5
111.00867	2.3
111.04522	9.5
111.96047	0.9
113.02428	1.5
115.52368	0.8
121.02938	2.6
124.01674	3.4
125.02440	1.6
127.03979	2.5
129.01965	1.3
132.02165	2.1
133.02956	39.6
134.03761	10.2
135.04523	68.9
136.04851	1.4
137.02477	8.1
139.04056	1.2
150.03242	4.0
151.03987	9.0
152.99585	1.2
155.03525	4.6
158.92166	1.0
160.01666	3.3
161.02409	4.1
173.04544	54.1
174.04904	1.6
177.01912	20.9
178.02658	7.6
179.03493	15.7
185.11766	0.9
191.05621	44.6
191.07373	2.2
192.05853	1.1
211.13396	2.4
215.05565	5.0
249.18550	1.2
255.02969	1.8
283.02383	1.7
284.03287	1.6
285.03973	1.4
290.08127	1.0
301.61145	0.9
307.08231	1.4
308.08960	3.9
309.14951	1.3
327.16040	2.1
351.07199	12.0
352.07962	2.1
609.14471	3.9
795.42126	1.2
813.43280	4.1
839.41980	20.8
840.42847	2.3
857.43274	10.1
858.43256	1.6
1013.47229	1.4
1031.48547	100.0
1032.48779	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	103.0038
Annotation	Malonate
Peak:m/z	Relative Intensity
53.38546	0.4
57.03438	2.4
57.39645	0.4
59.01379	100.0
60.01722	1.8
61.98820	0.6
71.09887	1.3
72.00913	0.9
73.02958	1.6
74.02491	1.5
85.02981	0.8
100.57722	0.4
103.00380	4.0
103.03999	0.8
104.03574	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
74.59973	0.8
78.95903	1.3
81.03445	2.9
83.05011	3.3
85.02946	6.1
87.00880	9.4
93.03458	92.4
94.03799	2.0
95.05044	2.1
99.04474	1.0
105.03439	5.7
108.02200	1.5
109.02945	4.5
111.00867	2.3
111.04522	9.5
111.96047	0.9
113.02428	1.5
115.52368	0.8
121.02938	2.6
124.01674	3.4
125.02440	1.6
127.03979	2.5
129.01965	1.3
132.02165	2.1
133.02956	39.6
134.03761	10.2
135.04523	68.9
136.04851	1.4
137.02477	8.1
139.04056	1.2
150.03242	4.0
151.03987	9.0
152.99585	1.2
155.03525	4.6
158.92166	1.0
160.01666	3.3
161.02409	4.1
173.04544	54.1
174.04904	1.6
177.01912	20.9
178.02658	7.6
179.03493	15.7
185.11766	0.9
191.05621	44.6
191.07373	2.2
192.05853	1.1
211.13396	2.4
215.05565	5.0
249.18550	1.2
255.02969	1.8
283.02383	1.7
284.03287	1.6
285.03973	1.4
290.08127	1.0
301.61145	0.9
307.08231	1.4
308.08960	3.9
309.14951	1.3
327.16040	2.1
351.07199	12.0
352.07962	2.1
609.14471	3.9
795.42126	1.2
813.43280	4.1
839.41980	20.8
840.42847	2.3
857.43274	10.1
858.43256	1.6
1013.47229	1.4
1031.48547	100.0
1032.48779	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	1025.6406
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	3.2
73.02927	1.1
78.95894	1.2
80.02697	0.9
81.03461	1.2
83.05019	2.4
85.02939	1.0
87.00880	1.1
88.98791	4.6
89.02434	2.5
90.24546	0.8
91.63708	0.8
97.06592	0.9
101.02427	3.3
113.02424	2.0
113.61395	0.8
116.92850	1.0
119.03477	1.4
125.06077	1.1
125.09754	5.5
127.11308	2.0
139.11295	1.6
141.09227	1.5
143.72565	0.8
152.99617	1.0
153.09177	1.1
155.10799	1.3
155.14400	1.7
157.12320	1.2
161.04616	2.1
163.11269	3.1
165.12831	1.6
169.12317	1.2
171.10248	2.8
176.21033	0.8
179.05540	1.0
191.05582	1.1
199.09781	2.0
200.10512	1.6
201.11314	38.9
202.11668	1.8
207.81413	0.8
209.11816	100.0
210.12221	3.9
225.11250	1.8
227.12894	11.2
235.08179	2.4
239.23680	0.9
249.18576	67.3
250.18927	4.5
253.09276	12.5
265.21613	1.5
267.23398	1.6
281.33887	0.8
293.21100	6.4
297.15356	0.9
309.20639	1.4
311.22263	78.9
312.22607	5.4
405.17172	1.0
415.28336	2.3
419.19031	1.9
433.29416	1.6
437.20215	3.6
445.20624	5.0
485.27655	4.0
651.38293	1.0
669.37524	1.7
695.39417	1.0
711.94891	0.9
981.57568	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	1011.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84068	0.5
71.01378	0.7
73.02926	0.4
76.68060	0.2
80.50396	0.2
83.28232	0.2
85.02944	0.4
87.00874	1.0
88.00398	0.6
88.98806	100.0
89.02443	1.4
89.99143	0.7
101.02434	0.7
103.39365	0.2
112.51835	0.2
122.16193	0.2
205.07106	0.2
410.38049	0.2
738.55719	0.2
775.40894	0.5
776.42548	0.2
921.46893	3.6
922.47223	2.2
923.47614	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.4638
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	1.0
71.52168	0.3
82.65797	0.2
83.01418	0.2
83.76749	0.2
85.02942	0.4
86.41817	0.2
87.00885	0.6
88.00391	0.6
88.98808	100.0
89.02444	1.0
89.99146	0.7
101.02444	0.7
110.89623	0.2
113.02394	0.3
118.09441	0.2
118.95119	0.2
237.80017	0.3
629.35657	0.4
775.41473	0.6
776.41943	0.4
885.30518	0.2
907.00409	0.3
921.47229	2.6
922.47400	1.5
923.47919	0.7
935.05652	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.591
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	27.6
71.54796	1.3
72.99316	1.9
73.02935	4.5
83.01377	4.4
85.02962	12.3
87.00873	4.4
89.02451	12.6
95.01372	2.4
97.02953	3.1
99.00906	1.7
100.26151	1.0
101.02435	20.5
104.12745	0.8
111.00869	1.7
113.02456	15.5
116.92857	3.6
119.03511	4.6
124.01626	2.7
125.02442	6.4
129.01984	1.4
131.03447	2.0
143.03490	3.4
161.04530	5.3
161.38577	1.1
179.05589	2.9
216.31616	1.1
221.06548	1.2
229.78748	1.2
249.18571	24.8
250.18948	1.1
290.77045	1.0
296.54977	1.3
305.08945	1.2
345.54523	1.3
467.30164	2.9
554.92761	1.1
611.34369	12.1
612.34302	1.7
624.14166	1.1
629.35498	16.2
630.35773	2.0
773.39624	100.0
774.39752	11.2
791.40723	51.7
792.41290	7.6
823.93097	1.4
999.67389	1.3
1023.57648	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	1009.5579
Annotation	Unknow
Peak:m/z	Relative Intensity
70.46157	0.8
71.01382	33.7
71.20804	1.9
71.78411	0.8
72.99305	3.8
73.02939	1.6
75.37300	0.9
83.01371	2.3
83.69280	0.9
85.02956	6.4
87.00863	1.3
89.02446	34.4
95.01366	2.9
101.01793	1.8
101.02443	23.0
110.56117	0.9
113.02448	13.3
119.03507	13.1
131.03497	1.2
143.03445	1.9
149.04561	1.5
161.04530	2.4
173.10637	0.8
177.38937	1.1
179.05620	6.4
181.42943	0.8
183.13893	7.5
194.46298	0.9
201.14867	1.8
359.47650	0.9
363.20258	100.0
364.20557	6.2
465.28253	1.3
483.29553	2.2
645.34924	73.8
646.35199	10.1
1019.96826	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.5955
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	31.0
71.84030	0.3
72.99315	2.7
73.02946	10.8
75.00878	0.6
78.95905	0.5
81.03455	1.5
83.01391	6.1
83.05028	0.5
85.02952	14.7
86.00105	1.6
87.00881	7.0
87.04522	1.4
88.14243	0.3
89.02448	10.8
95.01388	3.2
97.02954	4.2
99.00890	2.9
99.04504	0.6
101.02445	21.2
103.04007	2.9
109.02998	0.5
111.00889	1.3
112.01662	0.4
113.02449	11.9
115.04017	1.7
119.03505	4.7
124.01682	3.9
125.02445	7.1
127.04016	1.3
129.01930	1.2
131.03503	3.1
141.01920	0.9
142.02705	0.6
143.02394	0.7
143.03487	6.9
145.05109	1.5
159.03003	0.5
161.04546	2.5
163.06111	5.2
179.05566	0.8
205.07199	3.4
205.19717	0.6
229.07184	0.6
230.09502	0.4
231.17545	0.6
247.08119	2.0
249.18587	43.9
250.18875	2.6
255.23273	0.6
255.60266	0.4
277.21716	4.0
289.09396	0.9
311.48251	0.3
338.97226	0.3
393.32919	0.4
397.65771	0.4
449.28513	0.6
467.30148	3.4
483.27457	0.7
484.27652	0.4
485.04572	0.3
575.32727	1.6
593.33508	1.8
593.79956	0.4
595.34760	2.3
611.34326	11.0
612.34332	0.8
613.35895	5.4
614.36237	0.5
625.32642	0.9
629.35321	6.2
630.34930	0.7
643.33423	0.8
676.89197	0.4
721.37830	1.4
727.39539	0.9
729.38727	0.4
757.40143	100.0
758.40503	13.2
775.41211	45.9
776.41650	5.8
1007.58728	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.6303
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	3.1
71.66077	0.2
73.02944	0.9
74.86474	0.3
80.02683	1.1
81.03464	0.7
83.01386	0.3
83.05032	3.0
85.02937	0.6
89.02454	2.2
93.03435	0.4
94.18227	0.3
94.80743	0.3
95.01407	0.4
95.05018	0.8
97.02956	0.3
97.06588	0.4
99.00916	0.3
99.92575	1.0
101.02452	2.6
113.02467	2.0
116.92854	6.2
117.01954	0.7
117.92865	0.4
119.03493	0.5
121.10203	0.9
125.02462	0.3
125.06071	0.4
125.09715	2.0
127.11276	2.0
135.08162	0.6
137.09760	0.7
139.11322	0.3
143.03488	0.7
155.10817	0.7
161.04558	1.1
163.11288	3.4
165.09216	0.8
165.12816	1.3
171.10266	3.8
172.10582	0.3
179.05566	0.7
181.12331	0.5
185.11928	0.3
191.05611	0.6
191.10805	0.5
199.09758	1.1
201.11314	42.0
202.11667	1.2
205.19592	0.6
209.11816	100.0
210.12169	4.0
225.11264	0.6
227.12886	11.6
228.13263	0.6
231.17566	0.7
235.08221	3.8
249.18578	67.3
250.18900	3.9
253.09274	12.3
254.09755	0.4
263.12964	0.3
275.20197	2.5
291.19946	0.3
293.21182	3.3
312.11972	0.3
357.45660	0.3
360.11725	0.3
389.13626	0.3
400.12305	0.4
405.17737	0.7
415.28632	1.4
419.19138	2.1
433.29324	1.6
437.20273	3.8
445.20792	5.6
446.20874	0.3
463.21756	0.8
485.27551	3.1
486.28064	0.4
542.38843	0.3
555.71625	0.4
629.35455	0.6
651.37958	0.8
669.38513	2.3
677.39001	0.4
695.39209	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
69.87519	0.6
71.01377	0.1
73.02946	7.6
75.19999	0.1
97.93096	0.2
99.00888	1.4
99.92586	17.9
100.92583	0.6
112.98551	0.2
114.93423	0.8
115.00440	0.2
115.99897	0.2
116.92863	100.0
117.01940	13.6
117.02825	0.2
117.92878	3.6
118.02293	0.1
131.91605	0.1
141.42525	0.1
155.26108	0.1
160.33414	0.1
165.63832	0.1
234.68729	0.1
289.25702	0.1
353.57910	0.1
647.57758	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.5957
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	36.6
72.01711	0.4
72.99300	2.9
73.02557	0.5
73.02949	9.1
75.00900	0.8
81.03457	1.0
83.00923	0.4
83.01392	7.1
83.05022	0.7
84.02193	0.5
85.02954	20.6
86.00096	1.0
87.00874	5.6
87.04521	0.6
89.02445	14.3
95.01387	4.9
97.02962	2.5
99.00887	4.1
99.04474	0.7
101.02445	23.7
103.04011	1.8
109.02936	0.7
111.00877	3.4
111.04536	0.4
112.01659	0.7
113.02454	18.5
115.03993	0.6
119.03505	5.4
123.00896	0.4
124.01655	3.8
125.02448	3.8
127.04056	2.1
129.01918	0.9
131.03569	0.5
141.01949	1.2
142.02705	1.3
143.03513	4.7
145.05023	0.8
159.02974	1.2
161.04572	4.4
163.06090	1.7
177.16498	0.5
179.05600	1.4
183.14925	0.3
247.07993	0.4
247.17122	0.4
249.18591	42.8
250.18825	2.0
277.21683	0.9
305.24359	0.4
449.28931	0.8
467.30170	6.0
509.31104	0.4
537.31042	0.6
563.32190	0.6
575.32196	1.7
576.31970	0.4
593.33447	2.0
595.35040	1.8
611.34344	29.8
612.34863	2.4
613.35870	3.8
629.35443	28.0
629.43390	0.6
630.35590	2.9
709.38855	0.6
721.38354	2.5
722.39178	0.5
727.38800	0.7
757.40161	100.0
758.40649	12.9
775.41211	62.2
776.41516	8.4
861.53607	0.5
1007.59302	4.6
1008.59924	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	1007.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
70.26621	2.0
71.01379	44.0
72.99328	3.5
73.02944	22.4
75.00855	1.0
81.03451	2.2
83.01393	10.0
83.05012	0.7
83.62627	0.6
85.02952	26.3
86.00101	4.3
86.03323	0.6
87.00344	0.7
87.00870	13.4
87.04525	4.1
89.02438	18.3
94.18534	0.8
95.01361	3.4
97.02950	8.0
99.00885	4.4
99.04533	1.4
100.45667	0.6
101.02441	34.3
101.36820	0.6
103.03999	5.3
109.02971	1.1
110.53619	0.7
111.00867	2.5
113.02447	16.1
115.03994	4.9
119.03481	6.5
123.00891	1.9
124.01669	11.6
125.02454	11.4
127.03995	2.4
129.01909	1.2
131.03500	5.0
132.98709	0.6
141.01901	2.4
143.03487	9.8
145.05061	2.4
159.02980	1.3
161.04567	2.6
163.06117	3.9
187.02286	0.7
205.07140	5.6
214.52084	0.8
247.08240	2.1
381.32895	0.7
437.65256	0.6
467.30130	2.4
502.34744	0.7
611.33862	1.1
613.35938	6.0
614.35980	1.1
629.35791	2.4
655.36792	1.3
667.38416	0.9
683.35693	1.1
721.38715	3.5
739.38861	1.7
757.40002	22.0
758.40491	2.6
775.41125	26.0
776.41058	4.1
817.42090	3.8
903.45886	100.0
904.46130	18.2
921.46936	80.2
922.47485	16.6
963.47980	42.5
964.48303	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	1007.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02945	8.8
88.17524	0.1
97.93167	0.3
99.00883	1.5
99.92584	18.4
100.92595	0.7
100.93208	0.1
112.98569	0.2
114.93423	1.0
115.00410	0.2
115.81944	0.1
115.99876	0.2
116.92861	100.0
117.01936	14.5
117.02817	0.2
117.92863	3.6
118.02207	0.2
161.95644	0.1
199.26567	0.1
273.05670	0.1
281.41522	0.1
371.99283	0.1
475.07025	0.1
611.33783	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.6056
Annotation	Unknow
Peak:m/z	Relative Intensity
71.53329	0.8
78.95898	30.4
80.91703	0.7
89.62434	0.7
91.60388	0.7
96.96957	1.9
133.04677	0.7
152.99583	41.6
153.99893	0.7
171.00642	12.4
221.76875	0.8
227.03276	3.3
245.04295	56.3
246.04553	1.1
253.21715	24.4
254.22072	0.9
279.23279	11.1
280.23590	0.9
293.21268	0.7
397.36743	0.7
440.75739	0.8
481.25699	100.0
482.25980	7.2
507.27203	10.3
508.27686	0.9
652.53241	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.5484
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	5.3
71.01772	0.3
72.99306	0.6
73.02950	2.6
83.01392	1.3
85.02948	2.5
86.23093	0.2
87.00880	0.8
88.45695	0.2
89.02426	2.1
95.01368	0.5
99.00908	0.7
101.02449	4.5
103.04044	0.6
111.08157	1.4
111.26467	0.3
113.02469	1.6
115.04038	0.5
119.03515	1.2
125.02469	0.4
129.01930	0.4
131.03476	0.7
143.03474	0.9
145.05035	0.3
161.04517	0.3
163.06091	0.6
165.12846	21.8
166.13217	0.9
183.13896	100.0
184.14322	3.9
191.10887	0.3
205.07219	0.7
209.11800	1.6
227.12881	92.6
228.13194	3.9
229.41168	0.4
467.30377	0.4
613.35681	1.5
629.35706	1.1
708.64264	0.3
775.41193	48.1
776.28345	0.5
776.41632	7.1
776.55859	0.4
1007.00238	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.4698
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	61.7
72.99316	6.2
73.02950	21.3
75.00873	1.3
81.03477	1.7
82.77777	0.9
83.01385	12.0
85.02950	41.7
86.00114	4.0
87.00882	14.8
87.04507	1.9
89.02448	21.9
91.34081	0.9
95.01398	7.4
97.02953	7.6
97.58511	1.0
98.20662	2.0
99.00880	6.4
101.02441	49.7
102.02852	1.1
103.04018	4.2
111.00896	4.7
113.02447	33.2
115.04035	1.5
119.03516	8.3
123.00874	1.2
124.01672	13.9
125.02453	6.2
127.04015	4.3
129.01945	1.4
131.03485	2.3
141.01936	1.8
143.03543	6.8
145.05070	2.2
159.02966	1.6
161.04573	6.1
163.06160	1.9
205.07108	2.2
247.08252	1.6
319.50275	1.1
467.29965	4.7
593.32935	1.3
595.35120	1.6
611.34717	5.2
613.36127	6.4
614.35541	1.5
629.35388	12.1
630.35699	2.1
721.38135	2.7
739.39044	3.3
757.40118	35.9
758.40021	5.1
775.41077	49.5
776.41559	7.4
817.42273	12.7
818.42413	2.5
903.45929	89.5
904.46436	18.2
921.46936	100.0
922.47302	18.2
963.48041	76.4
963.68597	1.4
964.48328	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1000.548
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	41.0
71.21168	41.2
78.62124	19.8
81.35805	19.7
89.02440	32.4
105.80693	21.6
113.02381	24.2
116.92803	22.3
123.34987	20.9
133.02942	29.8
133.52484	19.7
177.01801	25.2
209.11775	72.5
214.98529	22.7
225.11104	21.6
277.21799	54.0
325.20468	24.2
389.77164	26.3
397.13464	100.0
1000.53101	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.4843
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06387	0.7
71.01382	0.8
71.54462	0.8
74.02474	10.8
82.02953	1.9
86.02479	3.8
86.99100	1.7
87.05639	2.1
90.00189	0.9
97.04060	1.1
99.05631	8.0
101.07197	1.3
102.05583	1.8
109.04092	1.8
111.05653	1.4
112.03985	0.7
116.01778	1.0
116.92801	1.1
125.03566	0.9
127.05148	1.4
128.03546	23.6
135.05621	2.3
141.06677	1.5
143.04622	31.5
145.06197	1.8
146.04581	1.9
153.06642	2.7
160.00737	9.4
167.04666	3.5
167.08296	0.9
177.03355	2.6
179.04631	8.1
191.05539	1.1
192.07751	0.9
197.05600	1.0
209.11787	1.0
210.08809	7.2
213.03325	1.0
251.40123	0.7
254.07808	8.2
268.82614	0.7
272.08875	16.4
288.06619	5.7
306.07651	100.0
307.08041	3.7
325.27426	0.8
483.70663	0.8
549.12634	0.9
671.59729	0.7
1002.48865	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	1000.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	18.6
93.03417	13.2
112.97674	11.2
126.08495	10.7
189.40546	12.1
191.05583	32.6
229.70535	17.0
279.88504	12.5
328.35187	11.7
430.89749	15.1
763.23187	13.2
845.41064	13.2
937.46423	100.0
940.47772	15.8
1000.45728	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5659
Annotation	Unknow
Peak:m/z	Relative Intensity
75.72553	0.4
79.05503	1.2
81.03414	0.5
81.07066	1.3
86.58963	0.4
91.05508	1.2
93.07059	1.6
95.08611	1.4
105.07018	0.8
107.08606	0.7
108.50261	0.4
109.10171	0.8
119.08610	1.0
120.08991	0.4
121.10176	1.1
123.11708	0.5
125.42373	0.4
131.08546	0.5
135.11665	0.8
145.10249	0.6
147.11772	0.6
185.04243	0.6
200.01311	0.5
203.05212	0.8
243.04887	0.6
245.06456	1.8
287.03748	5.7
289.05304	18.5
297.70770	0.4
349.88507	0.5
376.09100	0.5
445.25775	0.6
461.25742	1.0
559.29016	1.1
577.29889	1.0
612.38409	0.6
665.43365	0.6
733.50165	51.6
734.50336	3.3
735.51685	46.5
736.52332	3.1
751.51453	8.7
913.56470	1.1
955.57550	23.0
956.58313	1.9
999.56531	100.0
1000.56995	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	997.6257
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07072	0.1
70.06593	0.2
70.81276	0.2
70.81617	0.2
71.07372	2.3
72.08154	0.1
79.05493	0.1
81.07052	0.3
86.09707	25.5
87.10045	0.2
93.07026	0.1
95.08622	0.2
96.79385	0.1
98.98466	2.3
104.10744	2.5
123.54185	0.1
125.00008	17.9
136.06226	0.1
184.07343	100.0
185.07683	0.8
185.46452	0.1
233.69057	0.1
258.11029	0.1
337.27124	0.1
502.32968	2.0
515.16046	0.1
520.34003	20.0
521.34174	0.8
634.69617	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	996.6255
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03427	13.4
69.07067	19.7
71.04994	1.8
71.08650	1.5
71.51554	1.5
73.02920	1.3
77.03899	2.4
79.05493	38.6
81.03421	18.4
81.07055	100.0
83.04973	2.8
83.08596	9.8
84.65300	1.5
85.02895	12.1
87.00829	1.5
87.04449	2.0
88.51356	1.4
89.06016	1.6
91.05482	39.5
93.07044	60.9
95.04972	5.8
95.08607	84.3
96.08919	2.3
97.02893	10.7
97.06541	3.1
97.10149	6.1
99.04414	2.8
103.05457	3.5
105.01870	2.5
105.04464	1.7
105.07028	61.8
107.04953	1.7
107.08591	69.8
109.02864	7.0
109.06517	2.5
109.10159	55.2
111.04436	2.7
111.11717	2.1
115.05473	1.3
117.07019	9.4
117.09139	1.6
119.08582	54.1
120.08930	1.8
121.06475	3.3
121.10149	45.3
123.04388	2.1
123.08044	1.6
123.11715	17.9
127.03902	8.8
129.07037	3.6
130.84888	1.5
131.08575	14.5
133.08565	2.1
133.10120	30.1
135.08031	1.8
135.11681	27.5
137.13248	4.6
143.08478	3.3
144.09360	2.0
145.04987	2.9
145.06496	2.0
145.10132	19.3
147.11700	31.2
149.13266	27.5
151.14804	2.4
157.10115	3.7
159.11699	25.7
161.13251	30.6
163.14813	25.5
171.11644	2.0
173.13255	12.1
175.11250	2.1
175.14803	18.1
177.16399	10.5
181.10138	1.7
185.13280	1.6
187.14757	8.0
189.16386	11.3
191.17986	3.4
193.16028	1.5
195.11707	1.6
199.14835	2.0
201.16382	14.9
203.17900	9.3
213.16457	1.8
215.17928	28.3
229.19574	4.6
245.22659	1.8
261.22064	2.7
263.23724	4.8
271.21262	2.2
271.24210	38.6
272.24594	1.6
278.78610	2.0
293.24805	2.3
303.23160	3.2
305.24615	1.7
317.24646	3.1
329.24530	2.0
343.26346	3.2
353.24817	3.1
371.25677	9.3
389.26929	7.8
405.28979	1.4
407.27832	7.5
425.29141	2.2
657.38074	1.6
755.66803	2.0
779.67224	1.5
996.58398	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	994.6104
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03430	10.6
69.07075	17.4
69.07399	0.4
69.94659	1.9
69.95068	1.1
71.04992	2.5
71.08626	1.1
73.02909	1.3
73.15420	0.5
77.03923	1.5
79.05495	45.8
81.03423	16.6
81.03793	0.4
81.03911	0.6
81.07059	100.0
82.07390	1.1
83.04990	3.0
83.05434	0.5
83.08616	8.1
84.08153	0.7
85.02913	11.9
85.06568	0.6
87.00839	2.4
87.04488	0.7
89.06035	1.2
91.05486	45.6
92.06310	0.5
93.07048	75.2
94.07352	0.8
95.04971	7.4
95.08611	74.1
96.08916	0.7
97.02888	10.2
97.06525	2.1
97.10181	5.4
99.04462	3.0
103.03951	0.8
103.05478	2.7
104.06255	0.8
105.01849	2.0
105.04525	2.1
105.07034	64.0
107.04974	2.1
107.08598	75.6
108.04442	1.3
109.02886	4.7
109.06521	3.4
109.10159	54.0
111.04465	1.9
111.08090	1.4
111.11711	1.9
115.03928	0.9
115.05453	2.3
116.06235	1.1
117.07026	12.6
119.06086	1.5
119.08586	62.4
120.08865	0.5
121.06496	1.9
121.10146	51.7
123.04440	1.1
123.08070	1.4
123.11713	16.7
125.09634	0.8
127.03916	7.7
128.06218	2.1
129.05490	1.5
129.07011	6.4
130.07751	2.0
131.08572	21.6
133.06471	0.9
133.10133	29.3
134.80350	0.5
135.08098	0.8
135.11699	28.3
137.13251	3.8
139.11151	0.8
141.06990	1.6
142.07802	1.3
143.08563	6.5
144.09319	2.0
145.04964	2.6
145.06470	1.0
145.10133	25.8
146.10587	0.8
147.08015	2.1
147.11696	30.7
149.09604	1.4
149.13263	29.3
151.11156	0.8
155.08519	2.8
157.10118	6.0
158.10858	0.9
159.02919	1.2
159.08093	1.0
159.11697	32.0
159.40150	0.6
160.12404	0.9
161.09627	1.3
161.13263	30.2
163.11171	1.5
163.14830	20.3
165.12798	1.0
167.08583	1.1
169.10159	2.9
171.08124	0.6
171.11639	4.5
172.12489	0.6
173.09642	1.0
173.13271	15.7
175.11218	1.2
175.14841	15.5
177.12775	0.6
177.16393	11.5
181.10155	1.1
183.11678	1.9
185.09586	0.9
185.13322	3.2
186.14067	0.7
187.11229	0.7
187.14830	11.2
189.12732	0.9
189.16394	11.4
191.17915	2.4
195.11693	1.3
197.13286	1.4
199.11263	0.8
199.14790	3.4
201.12666	1.1
201.16386	12.9
203.17944	8.8
205.12296	0.9
207.11697	0.7
209.13402	1.3
211.14816	1.0
213.12692	1.1
213.16347	2.0
215.17960	24.3
217.19434	1.3
221.13348	0.7
225.12779	0.7
225.16418	0.9
227.17870	0.7
229.15942	0.8
229.19518	3.5
231.04968	1.3
231.21069	1.0
241.19489	1.2
243.13876	0.7
243.21074	3.2
243.65552	0.6
257.19058	0.9
259.20572	1.6
261.22159	5.4
267.21072	0.9
269.22644	1.4
271.24216	38.7
272.24557	1.3
273.22131	0.8
273.25668	0.6
275.23523	0.6
277.21646	1.8
283.20407	0.6
285.22122	0.9
287.19955	0.9
289.21762	1.0
289.25226	1.6
291.22974	0.7
299.20190	0.8
299.23560	1.0
301.21500	1.6
303.23148	3.4
315.23090	1.8
319.22772	0.7
327.23032	1.7
341.24658	1.7
345.24197	0.9
351.23007	2.2
369.24277	6.6
387.25299	5.1
405.26389	6.3
411.68314	0.6
423.27307	1.4
465.68100	0.6
728.53857	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	994.6102
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	15.1
69.07070	17.1
71.04974	2.2
71.08639	1.3
72.67005	0.8
77.03934	1.7
79.05498	36.2
79.75510	0.8
81.03422	13.6
81.07059	100.0
83.01337	0.9
83.04977	2.9
83.08624	8.6
84.30257	0.8
85.02908	12.7
87.00824	6.3
87.04433	1.2
91.04905	1.2
91.05480	33.2
93.07047	69.9
95.04979	6.5
95.08611	76.6
96.08948	0.9
97.02297	1.4
97.02896	21.3
97.06518	2.8
97.10178	5.9
98.21548	1.7
99.04468	5.6
99.08096	1.1
101.02374	0.8
103.03937	1.1
103.05466	2.3
104.07122	1.6
105.01865	2.3
105.04503	2.2
105.07036	68.4
107.04902	1.2
107.08599	76.4
108.08940	1.1
108.46738	0.8
109.02901	4.1
109.06493	3.0
109.10160	59.9
110.10491	1.2
111.04433	2.3
111.08081	1.4
111.11693	2.0
115.05425	1.6
117.07030	10.3
119.06059	1.6
119.08588	66.4
121.06522	1.0
121.10146	54.8
122.10427	1.0
123.04411	1.4
123.08067	2.6
123.11716	21.2
125.09622	1.3
127.03913	14.5
128.06169	1.5
129.07014	4.2
130.07784	1.7
131.08571	22.5
133.06436	0.7
133.10138	31.6
135.11703	27.9
137.09641	1.0
137.13245	4.4
137.32109	0.8
139.11198	1.5
141.07010	1.4
143.08556	4.6
144.09351	1.4
145.04999	6.4
145.10127	25.3
147.08076	1.7
147.11700	33.7
149.13266	33.0
151.11145	1.4
151.14745	1.4
155.08582	1.1
157.10130	3.9
158.10881	1.1
159.08139	0.8
159.11696	37.1
161.13268	31.9
163.14838	28.7
169.10124	2.9
171.02852	1.2
171.11697	3.6
173.09523	1.3
173.13258	15.0
175.11156	0.9
175.14839	22.0
177.16386	15.0
181.10153	1.6
183.11681	1.6
185.13269	2.7
187.11142	1.1
187.14809	9.9
189.16414	12.2
191.17935	2.8
193.10120	1.0
195.11714	1.7
195.13728	1.0
197.13206	1.2
199.14787	2.4
201.16396	17.7
203.14424	1.0
203.17986	10.2
207.13940	1.1
209.13257	1.4
211.14832	1.0
213.16449	1.8
215.17958	31.8
217.19489	1.4
219.17377	1.2
223.14810	1.3
227.17900	1.0
229.19501	3.9
231.05051	5.4
231.21086	3.1
235.13152	1.0
243.21014	2.6
249.06105	1.1
257.22498	0.9
259.20493	2.4
261.22131	3.5
271.24228	44.0
272.24469	1.0
275.23502	1.0
277.21606	1.7
279.23386	0.9
285.22134	1.4
289.22098	1.3
289.25323	3.8
291.23132	1.7
301.21542	1.6
303.23209	4.0
309.22153	1.1
315.23477	1.2
319.22913	1.0
327.23206	1.8
341.24838	1.7
351.23041	3.6
369.24249	9.2
387.25360	8.9
405.26425	8.4
406.27188	0.8
423.27435	2.8
554.33325	1.1
626.09717	0.9
766.03888	0.8
808.58539	0.9
985.79547	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	994.6081
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	26.5
69.07077	16.2
69.25343	15.9
71.04990	3.8
71.08626	2.5
73.02908	3.9
77.03925	1.7
79.05024	2.2
79.05494	42.7
81.03005	2.1
81.03426	30.7
81.07059	100.0
83.04973	3.9
83.08635	10.3
85.02909	41.4
86.06079	20.9
87.00828	13.6
87.04472	62.5
89.06021	2.2
91.05477	36.3
93.07048	78.2
95.04939	7.4
95.08612	83.7
97.02896	21.2
97.06539	2.5
97.10165	3.5
99.04468	8.6
103.05427	3.0
103.08716	4.7
104.07109	94.7
105.01855	10.1
105.04602	2.2
105.07032	60.4
107.08598	84.1
109.02881	21.0
109.06526	3.2
109.10160	62.0
111.11701	2.8
115.03926	1.8
115.05426	2.7
117.01827	3.6
117.07041	10.7
119.08588	61.6
121.10149	53.2
123.08082	1.6
123.11708	21.5
127.03923	33.9
129.01869	2.9
129.07001	4.3
131.08575	17.8
133.10141	29.0
135.11697	31.8
137.13249	4.0
143.08537	4.5
145.04961	10.2
145.10135	25.9
147.02902	2.6
147.11690	29.8
149.13268	33.4
157.10127	3.4
159.02884	12.8
159.08011	2.4
159.11700	31.3
161.13261	35.0
162.13512	2.1
163.14815	26.1
171.11748	3.6
173.13260	15.1
175.14836	23.5
177.16414	13.3
185.13274	4.2
187.14857	10.2
189.16422	9.2
191.17978	3.6
197.13326	2.4
199.14761	2.5
201.16406	14.8
203.17978	11.5
215.17975	29.2
229.19574	3.7
231.05104	7.5
231.20932	1.8
243.21155	2.8
261.22195	2.9
271.24203	47.4
273.40158	1.7
284.34329	1.7
289.25244	4.6
303.23267	3.9
315.06720	1.7
319.83450	1.9
327.45880	1.7
337.42609	1.8
341.25116	2.1
345.24225	1.9
351.23154	3.5
369.23941	7.7
379.26407	2.0
387.25317	8.0
405.26425	5.5
423.27209	3.4
478.24765	1.7
554.33173	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	993.5952
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06589	1.9
71.05891	0.3
71.07387	2.8
71.50486	0.4
72.08140	0.4
74.06072	0.4
79.05478	0.6
81.07051	0.8
86.09711	28.8
87.10043	0.4
91.05498	0.5
93.07032	0.5
95.08595	0.5
98.98475	3.1
104.10754	2.8
110.07137	0.4
119.08598	0.4
120.08125	0.9
121.07657	0.3
121.92903	0.3
125.00014	21.1
136.06146	0.4
136.93993	0.3
183.14998	0.4
184.07353	100.0
185.07671	0.6
284.43170	0.3
500.31271	2.3
518.32458	17.8
519.32385	0.5
550.70667	0.3
841.40796	0.3
993.57819	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.606
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	6.8
69.07076	18.3
69.81245	2.4
69.81638	1.6
71.04993	3.8
73.02917	1.5
79.05499	55.0
81.03426	8.0
81.07063	65.0
83.04984	8.0
83.08627	10.9
85.02925	9.7
85.06554	2.1
86.36858	0.8
91.03959	3.4
91.05489	46.1
93.07051	59.1
95.04978	7.0
95.08616	45.5
95.09241	1.6
97.02912	8.5
97.06535	6.7
97.10161	6.2
99.04446	1.4
99.08086	2.1
103.05457	1.6
105.04536	2.8
105.07040	32.8
107.04948	3.2
107.08602	33.6
109.02872	1.7
109.06541	5.3
109.10163	26.0
111.04422	1.2
111.08100	4.8
113.05972	1.0
113.09590	1.0
115.05470	2.0
116.06230	1.1
117.07027	18.5
119.08591	28.9
121.06525	2.0
121.10155	23.6
123.08070	3.2
123.11708	4.7
125.09695	4.6
127.03922	3.9
128.06200	1.4
129.05507	1.7
129.07005	5.8
131.08582	21.1
133.10144	20.4
134.16025	0.8
135.08076	3.2
135.11696	13.2
137.09650	3.1
137.13229	1.3
139.11197	1.0
141.06969	1.7
143.08585	5.7
145.04982	2.6
145.10129	18.0
147.08052	0.9
147.11702	13.0
149.09612	5.9
149.13274	7.8
155.08592	3.1
155.10699	1.3
157.10162	4.9
159.11702	12.8
161.09573	1.4
161.13298	5.9
163.06018	1.3
163.11206	3.1
163.14856	2.8
165.12830	1.5
168.09290	0.9
169.10185	2.9
171.11696	4.6
173.04495	2.5
173.11777	3.5
173.13293	6.4
175.11168	1.7
175.14842	2.5
177.12784	2.5
179.14517	1.1
181.10280	0.8
181.12180	1.5
183.11728	3.6
185.13268	3.8
187.14868	2.9
189.11273	1.9
189.12848	1.2
189.16460	1.1
195.13892	1.5
197.13214	2.0
199.14821	2.4
201.16429	1.1
203.14372	1.6
211.14775	1.1
213.16479	1.1
215.17982	1.4
217.15916	2.4
219.17479	3.7
227.12822	4.3
229.14325	11.9
235.16928	2.4
237.17020	0.9
239.18037	2.6
243.21158	3.0
247.20636	1.3
253.18060	1.1
255.15941	1.4
257.19040	8.2
259.20712	1.9
261.22192	10.0
267.16000	1.8
269.17453	8.1
275.20062	22.9
281.02505	0.9
291.19473	1.2
293.21085	2.3
309.20599	7.0
317.24960	2.1
331.22705	3.4
333.24203	1.7
335.25821	100.0
336.26126	2.5
337.27255	1.3
343.57544	0.9
349.23746	18.1
350.24213	1.1
367.24911	2.8
391.28668	1.3
413.21915	1.0
489.35678	11.8
515.37268	6.9
529.38953	30.0
530.38531	1.4
543.40607	1.9
555.40991	1.2
569.42029	30.4
570.42230	1.1
609.45215	33.8
610.45801	1.2
627.46234	7.7
771.50586	1.7
986.56061	2.5
987.50031	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.7547
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03427	7.2
69.07076	22.2
69.22805	7.4
71.05013	2.0
72.07172	0.8
77.03925	2.0
79.05499	44.3
81.03431	14.2
81.07063	100.0
83.05011	2.4
83.08619	10.9
85.02905	6.2
90.05604	1.3
91.05485	42.0
93.07050	74.3
95.04987	7.9
95.08614	85.3
97.02899	7.6
97.06543	2.0
97.10173	6.6
99.04503	2.5
103.03951	0.9
103.05518	3.2
104.06303	0.9
105.04577	3.3
105.07038	63.0
107.08600	69.3
109.02920	3.7
109.06564	3.1
109.07865	1.3
109.08531	2.0
109.10162	57.0
111.04478	2.0
111.11774	3.7
115.05498	2.7
117.07021	12.4
119.08587	61.9
121.10153	48.5
123.04427	0.9
123.08107	0.9
123.11716	24.9
123.12573	1.4
127.03985	2.4
128.06290	3.2
129.07033	6.0
130.07831	1.8
131.08575	23.8
133.10144	39.7
135.08070	1.7
135.11700	34.7
135.12697	2.0
137.09686	1.0
137.13263	8.4
141.07013	1.5
142.07803	4.3
143.08585	11.8
144.09375	3.0
145.05037	0.9
145.10135	32.2
147.08226	1.0
147.11700	30.9
149.13277	28.4
151.14883	2.4
153.07092	1.4
155.08575	4.6
156.09421	3.2
157.10143	18.4
157.11285	1.1
158.10959	2.4
159.11710	34.8
161.13268	27.5
161.14586	1.7
163.14832	17.8
163.16121	1.3
168.09290	1.2
169.10118	7.5
170.10989	1.5
171.11691	16.0
173.13280	25.9
173.14645	1.8
174.13670	1.0
175.14844	19.4
175.16264	1.5
177.12895	1.0
177.16376	11.4
181.10240	3.1
182.10986	1.4
183.11693	8.3
184.12492	1.2
185.09811	1.2
185.13283	13.6
187.11244	0.9
187.14853	16.1
189.16429	13.4
191.18002	4.9
195.11810	2.9
196.12595	1.5
196.94412	0.8
197.09753	1.0
197.13266	7.5
198.14081	1.2
199.14833	9.8
199.16350	0.9
199.59122	0.8
201.16393	13.2
201.18004	1.0
203.17964	12.9
203.19728	0.9
205.19637	1.6
209.13283	3.9
210.14099	1.0
211.14864	8.7
213.16374	11.9
215.17990	12.9
217.19560	7.5
221.13365	1.0
223.14954	3.3
223.46878	0.9
225.16345	5.6
227.17934	8.2
229.19524	5.7
231.21228	2.7
235.14906	1.3
237.16513	3.0
239.17982	4.7
241.19542	7.1
241.21774	1.0
243.21080	6.5
245.22803	3.1
249.16582	1.3
251.18031	2.1
253.19580	4.7
255.21086	6.8
257.22726	5.5
259.20663	1.4
259.24246	1.9
261.22168	4.6
265.19565	1.8
267.21051	5.7
269.22641	9.0
271.24240	7.8
279.21103	1.4
281.19809	1.3
281.22607	6.6
283.24179	6.9
285.22238	1.0
285.25775	1.5
293.22693	1.8
295.24246	3.9
297.25931	3.2
301.21808	1.1
307.24402	1.5
309.26010	1.5
311.27423	1.6
321.25681	1.1
323.27597	2.4
325.29037	2.6
335.27606	1.9
337.28900	4.1
341.28949	1.0
349.29147	1.7
351.30679	3.2
363.30746	1.4
365.32489	1.4
369.24463	2.2
375.30283	1.1
377.32040	1.5
379.34082	1.3
387.25592	2.3
391.33862	3.0
393.35059	1.9
403.34055	1.6
405.26373	1.8
405.35428	2.8
417.35272	1.5
419.37149	3.1
431.37198	2.0
433.38687	1.7
445.38474	1.2
447.40424	1.0
459.40204	2.3
461.41522	1.1
473.41699	2.3
485.41956	1.1
485.50095	0.8
536.74982	0.9
541.47736	36.3
542.48615	1.1
559.48804	4.2
649.50598	1.2
825.11096	1.1
945.72729	1.9
963.74658	6.8
981.75507	30.5
982.75769	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	976.5502
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	0.7
69.07073	0.5
70.06592	1.0
71.08522	0.5
72.08154	0.4
79.05499	3.0
80.41547	0.2
81.03425	3.5
81.07060	5.0
83.08607	0.9
85.02904	0.9
85.94743	0.2
86.09704	0.3
91.05487	4.1
93.07051	5.8
95.04967	1.8
95.08614	3.1
97.02901	0.6
99.04430	0.3
105.04498	0.3
105.07038	3.6
107.05003	0.2
107.08604	4.6
109.02886	0.5
109.06546	0.3
109.10162	2.8
110.30398	0.2
111.08102	0.3
117.06974	0.4
119.03595	1.6
119.08592	3.0
121.06525	0.3
121.10158	1.8
121.80401	0.2
123.04514	0.3
123.11709	0.7
127.03905	0.5
129.07074	0.4
129.10225	0.3
131.08562	0.8
133.10139	1.6
135.11691	0.9
136.06195	100.0
137.04604	1.1
137.06554	0.5
137.66969	0.2
145.10121	0.9
147.11707	1.7
148.06189	0.5
149.13289	0.8
157.10069	0.3
159.11700	0.6
160.94113	0.2
161.04744	0.2
161.13252	0.7
163.14836	0.4
173.13292	0.3
175.11177	0.3
175.14795	0.4
177.16362	0.4
178.07312	1.1
189.16481	0.2
193.12277	0.8
201.16425	0.4
215.17934	0.7
235.13281	0.9
249.76207	0.2
259.11176	0.7
271.24319	0.7
273.14899	0.3
301.14447	0.5
319.15405	0.6
337.16702	0.5
369.71490	0.3
490.23068	0.7
508.24182	4.5
526.25073	1.6
728.41724	0.4
778.47253	2.9
796.48596	9.7
797.48492	0.6
814.49188	0.4
824.47620	0.3
958.53058	0.8
976.54443	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	976.5482
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03434	0.9
69.07063	0.7
70.06588	0.6
72.08171	0.2
73.02904	0.2
76.20916	0.1
79.05498	3.0
81.03423	3.1
81.06587	0.4
81.07059	5.9
83.08620	0.8
84.08160	0.2
85.02922	0.8
86.09726	0.3
91.05486	3.4
93.07046	4.8
95.04976	1.9
95.08620	2.8
97.02883	0.9
97.10178	0.2
99.04447	0.2
103.03941	0.2
103.05475	0.2
105.04529	0.2
105.07034	3.3
107.04958	0.3
107.08599	4.9
109.02883	0.6
109.04028	0.2
109.06572	0.4
109.10175	2.2
111.04450	0.2
111.08092	0.2
117.07009	0.4
119.03583	1.4
119.08591	2.9
121.10165	2.2
123.04423	0.3
123.08138	0.2
123.11695	0.7
125.09637	0.2
127.03915	0.4
129.06987	0.5
131.08534	0.9
133.10127	1.2
135.11717	1.1
136.06195	100.0
137.04579	1.4
137.06535	0.5
139.84145	0.2
145.04993	0.2
145.10164	0.9
147.08020	0.2
147.11641	1.4
148.06221	0.4
149.13245	0.6
157.10155	0.4
159.11746	0.9
161.04662	0.2
161.13335	0.9
163.11227	0.2
163.14836	0.5
171.11649	0.2
175.11267	0.2
175.14859	0.4
177.16373	0.3
178.07245	1.0
193.12279	0.8
201.16331	0.3
202.50587	0.2
203.17978	0.3
215.17953	0.7
235.13206	0.8
259.11115	0.3
260.91760	0.2
271.24149	0.6
273.14948	0.2
277.14529	0.2
301.14365	0.5
319.15402	0.3
337.16531	0.5
490.23105	1.0
508.24081	4.1
526.25037	1.5
728.41400	0.5
778.47516	2.8
796.48560	8.8
797.48761	0.5
933.66266	0.2
958.52753	0.5
976.53564	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	972.6259
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99805	3.0
69.03433	27.3
69.07075	19.4
70.49245	2.8
71.05010	3.5
71.08634	9.1
71.51078	4.2
73.02940	4.4
75.29179	2.5
79.05501	31.8
81.03425	35.1
81.07060	100.0
81.07536	5.5
83.04977	4.3
83.08619	11.2
85.02913	57.0
85.10186	5.3
87.00847	18.8
89.06031	5.0
91.05481	34.4
93.07050	67.5
95.04974	6.9
95.08610	79.3
97.02902	33.1
97.10184	5.9
98.41300	2.8
99.04461	11.8
103.05515	3.2
105.01870	16.7
105.07036	52.2
106.49788	2.5
107.08599	75.0
109.02895	33.2
109.06532	4.3
109.10164	64.8
111.11723	4.2
117.01865	3.3
117.07018	7.9
119.08583	56.5
121.10151	51.8
123.11702	25.8
127.03931	55.1
129.54674	2.7
131.08601	17.1
133.10152	27.8
135.11687	28.4
137.13280	4.3
145.04961	19.9
145.10107	19.1
147.11681	31.0
149.13251	30.8
157.10110	3.8
159.02901	9.3
159.11711	32.3
161.13263	34.3
163.14812	29.6
173.13235	10.1
175.14859	18.0
177.16409	11.4
187.14810	6.2
189.16464	13.6
201.16388	16.6
203.17986	16.2
213.03934	2.7
215.17964	27.2
229.19595	3.7
231.05035	7.1
239.23782	20.0
245.35027	3.2
271.24246	52.4
289.25449	5.0
383.27924	18.3
401.29053	30.9
744.44678	3.1
874.46906	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	972.6252
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	21.2
69.07073	18.8
71.04978	2.7
71.08639	16.1
79.05492	28.1
81.02998	2.0
81.03429	31.4
81.07061	100.0
83.04962	2.0
83.08630	16.2
85.02910	23.7
85.10184	9.2
87.00808	2.7
91.05482	27.3
93.07050	58.2
95.04957	5.9
95.08611	80.4
97.02896	29.2
97.10155	8.0
99.04448	4.9
105.01847	3.4
105.07037	52.0
107.08599	72.8
108.04449	1.9
109.02887	17.2
109.06525	2.4
109.10159	62.4
111.11709	3.2
117.07014	7.6
117.09192	1.7
119.08587	53.1
121.10149	53.3
123.08060	2.0
123.11713	21.3
127.03929	35.0
129.06975	2.0
130.13982	1.6
131.08551	10.7
133.10143	24.1
135.11691	26.0
137.13249	4.9
143.08560	1.9
144.09317	1.5
145.04967	11.1
145.10124	20.6
147.11702	30.0
149.13263	31.5
157.10159	1.9
159.11720	28.3
161.13271	26.0
163.14835	19.7
165.16422	1.7
171.11687	1.7
173.13295	10.6
175.14816	20.3
177.16367	12.5
187.14844	9.9
189.16373	10.3
191.17946	2.6
193.59047	1.4
201.16376	15.5
203.17990	10.5
215.17935	28.8
223.14891	1.3
229.19537	1.9
229.51454	1.6
231.05002	2.4
239.23659	26.8
257.24762	2.8
269.22614	1.8
271.21350	2.5
271.24234	48.2
289.25165	1.5
291.55093	1.6
296.68869	1.4
329.26578	1.9
361.63541	1.8
383.27924	28.7
401.29016	23.7
775.57196	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	970.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05030	0.7
69.03438	1.9
70.06606	0.5
70.89359	0.4
70.89736	0.4
71.05013	0.3
72.04536	0.2
79.05499	0.4
79.08253	0.2
80.05036	0.4
81.03426	3.6
82.06583	0.2
83.04975	0.4
84.04510	1.7
85.02913	4.3
85.03384	0.4
86.06070	0.4
86.50528	0.3
87.04477	0.2
91.05488	10.4
94.06576	3.2
95.04978	6.3
95.05577	0.4
96.04501	1.0
97.02908	2.3
98.06068	1.3
99.04491	0.5
105.04504	0.4
109.02894	1.6
110.06068	1.5
111.04414	0.3
112.03365	0.2
112.03975	12.9
112.07620	1.8
114.05544	4.9
119.04952	20.5
120.05312	0.4
122.06047	3.3
123.04439	7.9
125.05993	0.3
127.03129	0.2
127.03922	1.5
127.49790	0.2
132.06616	0.3
140.07079	24.1
141.05473	2.0
141.07442	0.3
142.08640	0.6
145.02907	0.2
145.04974	1.1
147.04420	100.0
148.04759	1.7
148.42804	0.2
158.08142	12.0
160.09718	0.5
163.03879	1.2
164.07135	0.3
165.05489	4.5
176.09193	56.4
177.09547	0.7
178.80923	0.2
179.06299	0.2
200.09154	0.3
218.10239	0.9
232.25984	0.2
273.07568	0.8
284.11383	0.4
291.08664	3.2
302.12396	0.8
309.09717	8.4
310.10022	0.2
320.13367	1.1
338.14478	13.6
339.14334	0.3
471.14832	0.8
484.18048	1.7
500.19299	0.5
503.21924	0.3
646.22424	0.3
808.27747	0.5
891.64758	0.2
970.33893	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	970.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
67.89718	0.2
68.05040	0.6
69.03442	1.6
69.84762	0.8
70.06638	0.2
71.05009	0.3
72.04526	0.3
73.02918	0.4
77.03913	0.3
78.97042	0.2
79.05488	0.5
80.05021	0.5
81.03416	2.9
82.06586	0.8
84.04502	2.1
84.08154	0.4
85.02914	2.8
86.06073	0.4
91.05485	12.6
94.06577	3.9
95.04974	6.5
95.05571	0.4
96.04513	1.4
97.02895	1.8
98.06033	1.3
98.20807	0.2
99.04468	0.3
108.90706	0.2
109.02888	0.9
110.06043	1.6
112.03971	15.1
112.07623	2.0
113.04325	0.2
114.05536	4.9
114.06297	0.4
119.04946	24.4
120.05287	0.3
122.06025	3.2
123.04435	8.9
124.04706	0.2
127.03917	0.7
132.06586	0.4
140.07071	27.6
141.05463	2.2
141.07364	0.3
145.04971	0.6
147.04414	100.0
148.04764	1.6
158.08134	13.0
164.07187	0.2
165.05457	1.4
176.09184	64.3
177.09520	0.7
182.08086	0.3
200.09062	0.2
216.64630	0.2
218.10251	0.7
266.10345	0.2
291.08640	1.7
302.12375	0.8
309.09717	4.3
320.13434	1.4
322.12738	0.2
338.14459	14.7
359.20139	0.2
466.17059	0.3
471.14963	0.4
484.18170	0.4
500.19629	0.6
566.95148	0.2
659.72034	0.2
761.83490	0.2
808.28333	0.4
822.15326	0.2
970.34241	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	966.5791
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	51.0
68.99802	0.8
69.03435	12.3
69.07069	16.7
70.32218	0.5
70.67977	1.1
70.68350	1.0
71.01331	0.7
71.04994	2.3
71.08629	0.6
73.02914	1.1
74.09661	0.6
77.03938	1.9
79.05496	46.6
81.03421	19.1
81.03774	0.5
81.07059	100.0
82.07406	1.2
82.55602	0.5
83.04991	3.4
83.08620	8.3
85.02903	12.3
85.03378	1.0
85.06540	0.9
85.10197	0.7
87.00832	2.1
87.04491	0.8
91.05486	51.6
92.05750	0.7
93.07047	82.0
94.07383	0.6
95.04972	8.1
95.08610	78.2
96.08961	0.9
97.02891	9.5
97.06522	1.9
97.10174	4.6
99.04462	2.7
99.08105	1.5
103.03954	0.8
103.05471	2.2
104.06282	0.8
105.01889	2.6
105.04524	2.9
105.07036	66.0
106.07367	0.9
107.04994	2.7
107.08599	75.6
108.04520	0.9
108.08907	1.2
109.02897	6.4
109.06558	3.4
109.10161	56.8
111.04445	2.3
111.08097	1.9
111.11713	1.8
113.06042	0.8
113.09678	0.7
115.03931	0.6
115.05454	2.4
117.07028	12.9
119.08586	63.4
121.06542	1.4
121.10149	58.7
122.10466	0.8
123.04427	1.7
123.08078	2.5
123.11714	17.8
125.06017	0.7
125.09600	1.1
127.03914	7.9
128.06209	1.9
129.05554	0.8
129.07016	6.2
130.07790	1.8
131.08568	20.4
133.06477	1.6
133.10139	32.2
134.10510	0.6
135.08058	2.5
135.11699	28.5
137.06004	0.9
137.09657	1.2
137.13278	3.7
139.11171	0.8
141.07005	2.3
142.07790	1.3
143.08568	5.6
144.09325	2.3
145.04959	2.9
145.06499	1.1
145.10123	27.0
147.08038	1.3
147.11697	35.1
149.09599	2.7
149.13268	27.3
150.13664	0.6
151.07524	1.1
151.11180	1.0
155.08554	3.1
156.09322	0.7
157.06509	0.8
157.10117	5.0
158.10927	1.2
159.02917	1.6
159.08051	0.9
159.11696	33.7
160.12428	0.8
161.09602	1.7
161.13263	27.7
163.11166	1.8
163.14830	22.5
165.09068	1.0
165.12766	0.6
167.08595	1.5
169.10107	2.5
171.08028	0.8
171.11682	5.0
172.12416	0.7
173.09650	1.0
173.13277	13.9
175.11153	0.8
175.14824	18.2
175.16284	1.1
177.12901	1.2
177.16399	12.0
179.08617	1.0
181.10107	1.9
183.11714	2.9
185.09595	0.8
185.13263	4.2
187.11192	1.8
187.14813	10.8
189.12726	1.8
189.16389	11.5
191.14359	0.7
191.17937	2.6
192.08018	0.6
195.10103	0.6
195.11725	2.1
195.13556	0.6
197.13249	2.1
199.11230	1.3
199.14842	1.9
201.12889	1.3
201.16397	14.6
203.17960	10.1
205.19559	0.6
211.11201	1.0
211.14714	1.2
213.12686	1.0
213.16386	3.0
215.14523	1.3
215.17966	31.5
217.19579	1.3
219.13928	0.7
223.14786	0.8
225.12834	1.2
225.16331	0.7
227.18016	1.6
229.19452	4.4
231.04974	1.8
231.17430	1.5
231.21054	0.7
233.18979	4.2
239.17995	0.7
243.13503	0.8
243.21085	1.5
245.19017	0.7
249.18491	1.5
257.18857	0.8
261.18509	1.3
263.20108	1.1
269.18961	1.1
269.22519	1.0
271.24225	41.8
272.24356	0.7
273.18515	1.4
275.20078	2.7
284.09732	0.8
287.20172	1.3
287.23663	0.8
289.25095	1.1
291.19635	0.8
295.20523	0.9
299.20001	0.8
299.23566	0.7
313.21539	1.1
323.20020	1.2
335.82166	0.7
341.21097	4.9
359.22150	5.7
377.23367	5.3
395.24069	1.1
396.08737	0.6
549.12592	0.7
665.47095	1.0
700.51343	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.5787
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	51.0
69.03426	10.9
69.06729	1.1
69.07074	17.3
70.00676	1.2
70.01057	1.7
71.04989	1.6
71.08587	0.7
73.02908	1.4
77.03937	1.1
79.05497	48.7
81.02937	1.0
81.03421	18.4
81.07056	100.0
82.07379	0.7
83.04990	3.4
83.08621	10.7
85.02909	7.9
85.06533	1.9
86.06056	2.6
87.00812	1.8
87.04459	6.1
91.04642	1.0
91.04895	1.4
91.05483	46.5
93.07047	76.6
95.04979	8.3
95.08609	77.8
96.08930	0.8
97.02892	11.1
97.06538	2.6
97.10175	4.5
99.04448	3.6
99.08076	1.0
101.59528	0.7
103.03958	1.0
103.05465	2.4
104.06388	1.0
104.07104	8.4
105.01892	1.2
105.04538	3.3
105.07033	71.7
107.04994	1.3
107.08596	79.5
108.08986	0.7
109.02890	5.3
109.06535	3.0
109.10160	56.1
111.04446	1.9
111.08099	2.0
111.11734	2.2
115.05476	2.0
115.81895	0.7
116.06216	1.1
117.07014	13.8
119.08584	66.0
121.06541	2.4
121.10147	59.9
123.04475	1.5
123.08075	2.3
123.11715	20.9
125.09605	1.2
127.03918	8.3
128.06264	2.5
129.05478	1.2
129.07008	6.1
130.07780	1.0
131.08574	21.4
133.06509	1.6
133.10138	35.5
135.08081	2.1
135.11699	30.0
137.09589	1.6
137.13260	4.4
141.06960	1.4
142.07813	1.6
143.08553	6.0
144.09351	2.7
145.05000	2.7
145.06514	1.5
145.10129	30.7
147.08098	1.5
147.11688	34.5
149.09631	2.8
149.13258	29.9
151.07503	0.8
151.11177	1.0
155.08586	2.7
157.06570	0.8
157.10126	7.0
159.08073	1.5
159.11693	34.0
161.09674	1.7
161.13263	29.2
163.11218	2.5
163.14835	22.3
165.06941	0.8
165.09082	0.9
165.12685	1.0
165.16440	0.8
167.08600	1.6
169.10164	2.9
171.07991	1.1
171.11676	6.0
173.09583	1.4
173.13274	14.5
175.11285	1.6
175.14844	17.8
175.16310	1.3
177.12820	1.8
177.16386	14.5
177.17816	0.9
179.08591	0.8
179.10663	0.7
181.10120	1.0
183.11749	2.4
185.09691	1.1
185.13344	4.2
187.11215	1.9
187.14827	10.3
189.12776	1.7
189.16382	12.4
191.17978	3.1
195.11794	2.0
197.13300	2.2
199.11308	1.0
199.14853	2.1
201.12747	1.5
201.16377	15.3
203.17917	10.2
209.13338	1.1
211.11276	1.0
211.14828	1.4
213.12927	1.1
213.16469	3.1
215.17966	30.8
216.18477	0.8
217.19626	1.0
223.14969	1.0
225.16533	0.9
227.17982	2.2
229.12341	1.1
229.19550	4.4
231.05159	1.3
231.17522	3.1
231.21117	1.3
233.19035	4.7
237.16374	1.1
239.17934	1.6
241.19759	0.8
243.13794	1.2
243.21130	0.9
245.19044	1.1
249.06187	0.9
249.18562	1.3
253.19652	0.9
255.17509	0.9
257.18860	1.2
259.17081	0.8
261.18619	1.7
263.20166	1.2
269.22641	1.2
271.24216	41.2
272.24619	1.1
273.18536	1.8
275.19965	3.2
287.20135	1.2
289.25369	1.7
299.20029	0.9
311.20377	0.8
313.21799	1.3
317.21130	1.1
323.20132	1.7
341.21045	4.7
359.22171	5.7
377.23236	5.5
395.24432	1.3
498.99387	0.9
681.32092	0.7
683.48706	0.8
968.80164	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.5784
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	42.3
68.99785	2.7
69.03429	24.8
69.07068	17.5
70.72414	1.9
71.04991	3.5
71.08631	1.3
73.02927	3.5
77.03927	1.8
79.05495	38.7
81.03422	31.1
81.07056	100.0
82.07372	0.8
83.01347	0.9
83.04981	2.4
83.08617	8.8
85.02906	45.7
85.06528	1.4
86.06062	1.4
87.00831	17.5
87.04469	6.5
87.90279	0.7
91.03953	1.0
91.04901	1.8
91.05481	37.9
93.07044	75.8
94.07375	1.0
95.04963	5.4
95.08607	79.1
97.02889	19.6
97.06532	2.2
97.10155	3.7
99.04461	10.2
103.03935	1.0
103.05492	2.5
104.07104	7.7
105.01863	12.2
105.04508	2.0
105.07030	69.6
107.04957	1.4
107.08595	80.1
108.04533	0.9
109.02883	23.6
109.06530	3.8
109.10155	62.2
110.10524	0.7
111.04451	1.8
111.08122	1.1
111.11723	3.3
115.03942	1.5
115.05436	1.4
116.06219	0.8
117.01890	3.5
117.07010	10.3
119.06112	1.5
119.08584	61.1
121.06523	1.4
121.10146	53.7
122.10484	1.0
123.08116	1.7
123.11708	21.1
125.05959	0.8
125.09676	1.2
127.02975	1.8
127.03918	35.8
129.01865	3.2
129.05444	1.2
129.06979	4.2
130.07809	1.1
131.08569	17.9
133.06558	1.4
133.10130	32.2
135.08089	1.7
135.11690	33.0
137.09654	1.7
137.13280	3.4
139.11116	0.9
142.07782	0.9
143.08549	3.9
144.09351	2.3
145.04948	11.6
145.10126	26.5
147.02885	2.6
147.08026	1.2
147.11693	32.2
149.09619	3.2
149.13260	32.3
150.13560	1.1
151.07587	1.1
151.11162	1.0
155.08557	0.9
157.10118	5.6
158.10919	1.1
159.02907	11.7
159.11694	36.5
160.12401	0.8
161.09680	1.0
161.13264	28.4
162.13586	1.0
163.07652	1.0
163.11205	1.2
163.14818	23.0
165.12793	1.1
169.10207	2.4
171.11696	4.3
173.09810	0.8
173.13286	15.4
175.11314	1.6
175.14832	18.8
176.15146	1.1
177.12868	1.4
177.16389	15.1
181.10139	1.6
183.11737	2.6
185.09714	0.8
185.13249	1.9
187.11169	1.5
187.14810	10.0
189.12807	1.2
189.16408	12.7
189.17955	1.3
191.17958	3.2
193.10092	0.7
195.11768	1.3
197.13277	1.0
199.14769	1.8
201.12646	0.9
201.16388	15.1
203.14465	0.8
203.17937	12.0
209.13264	0.9
211.14874	1.3
213.03912	1.3
213.12857	0.7
213.16422	3.3
215.17955	33.0
216.18552	0.8
217.19554	1.1
223.14745	0.9
225.12831	0.9
227.17850	1.2
229.19513	5.3
231.05011	6.6
231.17479	2.4
231.21066	1.4
233.19093	2.7
239.18015	1.1
241.15817	0.8
241.19360	0.8
243.21248	1.8
245.19012	1.3
249.18596	2.4
269.22736	1.0
271.24203	45.3
272.24496	1.1
273.18423	1.0
275.20197	2.7
289.25348	3.1
299.20175	1.1
313.21872	1.0
317.21399	1.3
323.20001	1.6
341.21112	4.9
359.22238	5.0
377.23306	6.2
379.26089	0.8
395.24484	2.2
554.33331	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	966.579
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	43.2
68.05839	1.3
69.03432	14.6
69.07067	18.5
69.84991	1.9
69.85384	2.8
71.04977	3.4
71.08633	1.4
73.02924	1.4
77.03948	2.1
77.09992	1.1
79.05497	40.4
81.03430	13.3
81.07060	100.0
82.07360	1.4
83.04956	3.6
83.08628	6.7
85.02906	14.9
85.06566	1.7
87.00832	6.8
87.04469	2.1
91.05484	34.6
93.07046	74.8
95.04989	6.3
95.08610	78.5
96.08916	1.2
97.02895	25.3
97.06508	2.2
97.10182	4.1
98.20760	1.4
99.04449	5.0
103.05453	2.8
104.07090	1.3
105.01871	3.6
105.04488	2.0
105.07032	68.5
107.08597	76.2
108.87785	1.1
109.02869	4.1
109.06525	3.2
109.10161	62.5
111.04410	1.6
111.11719	2.1
115.03898	1.5
115.05444	1.7
117.07022	9.5
119.06036	2.6
119.08589	67.2
121.06500	1.3
121.10148	55.3
123.08060	2.2
123.11709	20.8
125.09631	1.6
127.03925	14.0
128.06192	2.6
129.07001	4.3
130.79980	1.1
131.08595	18.0
133.09135	1.6
133.10127	32.8
135.08043	2.7
135.11703	27.0
137.09612	1.9
137.13240	5.8
142.07732	1.1
143.08568	3.9
144.09326	3.0
145.05008	7.2
145.10130	27.9
147.08029	2.1
147.10521	1.8
147.11688	31.5
149.09634	1.3
149.13268	31.1
155.08508	1.2
157.10126	5.1
159.08031	1.3
159.11707	31.2
161.09679	1.3
161.13281	29.4
162.06085	1.2
163.11226	1.9
163.14822	23.2
165.09181	1.1
169.10036	1.6
171.11708	3.9
173.13261	13.9
175.11174	2.1
175.14836	18.6
177.12810	1.3
177.16382	11.9
181.10120	1.5
183.11671	2.5
185.13290	4.2
187.14842	10.6
189.12741	1.9
189.16374	10.2
191.17935	3.3
195.11789	2.0
197.13245	1.6
199.14742	1.8
201.16385	17.9
203.17934	10.5
213.12920	1.2
213.16330	1.5
215.17966	28.0
225.12842	1.3
227.17931	1.5
229.19547	5.0
231.05055	4.3
231.17384	1.8
231.21056	2.0
233.18980	2.7
243.21155	1.5
245.19344	1.3
249.18642	2.6
271.24219	39.5
272.24515	1.6
275.20035	3.6
289.25336	2.1
313.21664	1.4
317.21176	1.5
341.21271	6.4
359.22253	6.0
377.23212	7.6
380.67883	1.3
395.24054	1.4
436.04852	1.1
461.31052	1.3
679.48602	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	20.1
68.05029	2.5
69.03436	16.7
69.07071	7.8
70.06602	5.4
70.67893	1.5
71.01347	1.8
71.04993	2.8
72.08154	1.1
73.02925	1.1
75.04481	1.0
75.21274	0.7
77.03938	1.1
78.32445	0.7
79.05067	1.4
79.05500	20.8
80.05022	1.7
81.03420	22.4
81.07065	51.2
82.06590	1.3
83.01311	0.8
83.04983	5.0
83.08614	1.8
84.04499	4.2
84.08150	1.9
85.02909	21.5
86.09697	1.1
91.05489	28.2
93.07052	57.5
94.06577	9.6
95.04370	1.5
95.04977	26.2
95.08614	30.7
96.04515	4.4
97.02907	13.8
97.06525	3.0
97.10179	2.5
98.06044	3.0
99.04473	4.7
103.05459	2.0
105.04523	2.3
105.07041	43.2
107.04966	1.1
107.08599	40.1
109.02891	10.3
109.06532	3.6
109.10166	24.0
109.10926	1.2
110.06040	6.2
111.04433	4.2
111.08054	1.0
112.03976	34.3
112.07615	4.5
113.06031	1.0
114.05547	13.5
115.05428	1.2
116.06262	1.0
117.07039	5.3
118.06600	1.1
119.08589	56.7
121.06543	4.6
121.10152	45.5
122.06049	9.6
123.04443	22.1
123.08074	5.3
123.11706	7.2
125.05995	1.5
125.09636	2.2
126.05525	2.1
127.03935	6.3
128.06230	1.7
129.05493	2.0
129.07043	3.9
130.07796	1.3
131.08565	15.3
132.06689	1.2
133.06522	1.0
133.10141	26.1
135.07149	0.9
135.08064	5.8
135.11713	17.1
136.07600	1.8
137.09639	2.0
137.13184	1.3
138.05496	1.4
139.07512	1.1
140.07077	65.7
141.05443	4.2
141.07074	2.0
141.09073	1.0
142.07793	2.4
143.08577	7.7
144.09358	1.6
145.04970	1.7
145.06471	1.2
145.09052	1.7
145.10133	21.1
147.08061	3.3
147.11694	20.2
149.09595	5.7
149.13284	13.5
151.11189	1.1
152.07135	1.0
153.09126	0.9
155.08577	3.2
156.06575	1.1
156.09386	2.0
157.10143	11.9
158.08141	52.4
159.08134	1.8
159.11699	23.4
160.07529	0.8
161.09622	4.4
161.13258	13.4
163.11230	2.9
163.14822	6.7
164.07083	2.2
167.08514	0.9
169.10118	5.8
170.10941	0.9
171.07939	1.0
171.11693	7.5
173.09627	2.4
173.13261	12.9
175.11221	3.9
175.14870	8.1
176.09196	100.0
177.09497	1.5
177.12805	1.9
177.16451	1.6
181.10208	1.6
182.08153	1.5
182.10844	1.0
183.11754	4.7
185.09647	1.7
185.13271	5.7
187.07521	0.9
187.11221	2.8
187.14812	10.0
189.09001	1.1
189.12782	3.2
189.16406	8.4
191.14336	1.7
194.08336	1.1
195.11746	2.0
197.13281	5.4
199.11148	1.3
199.14861	4.6
200.09190	2.0
201.12836	1.0
201.16425	6.8
203.14354	2.4
203.18025	3.4
204.06509	1.0
205.15947	1.9
209.13272	2.4
211.14845	4.8
213.12804	1.8
213.16415	3.3
215.14317	2.9
215.17879	1.6
217.15895	3.2
218.10245	6.4
222.07732	1.0
223.14819	1.7
225.16478	3.4
227.14404	1.3
227.17915	4.6
229.12303	1.3
229.15950	2.6
229.19423	6.4
231.13792	1.2
235.14677	1.2
237.12831	1.1
239.09224	1.2
239.14297	1.3
239.17953	1.3
241.15971	1.1
241.19563	1.8
242.10381	1.0
243.20995	1.3
248.09241	3.0
255.21101	2.3
257.15491	1.1
257.18808	1.0
257.22690	10.8
263.18030	1.0
265.19440	1.7
266.10281	7.5
267.21045	6.3
269.19092	1.0
269.22610	1.4
283.20551	1.5
285.22110	11.8
297.22055	1.8
301.21680	2.3
302.12631	0.9
303.23148	1.3
313.21542	1.4
320.13358	1.1
327.22983	1.2
333.22409	1.0
338.14520	2.2
343.22836	0.9
359.18796	0.9
365.24768	1.6
375.23145	1.5
379.21332	1.4
393.24316	6.7
411.25342	10.2
419.28229	2.3
429.20883	1.3
429.26404	16.0
447.27472	12.0
554.29456	1.2
568.32928	4.7
586.33972	4.9
604.34698	8.9
622.35913	29.0
623.35687	1.5
639.85333	0.9
716.35315	4.1
748.38855	1.5
766.40289	9.7
784.41132	95.5
785.41583	5.8
802.41888	3.6
825.66998	0.9
899.43890	1.0
917.53766	0.9
946.45660	3.0
964.47577	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	959.5712
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	2.0
69.03434	2.6
69.07076	0.5
71.51577	0.6
73.02916	3.1
79.05503	2.1
81.03414	1.8
81.07059	2.4
83.08645	0.5
85.02914	4.8
89.32294	0.4
91.03952	3.3
91.05521	1.1
93.07038	2.1
95.05000	0.5
95.08640	1.5
97.02911	4.5
99.04486	0.5
101.02391	1.3
105.07086	0.9
107.08633	1.3
109.10197	1.0
117.07085	0.4
119.08634	0.4
121.10188	1.3
127.03917	1.8
131.08562	0.5
135.11722	0.4
149.13319	0.5
185.04263	0.6
203.05394	0.7
243.08493	1.5
310.88754	0.3
312.44302	0.4
335.25848	0.5
347.09460	2.1
362.75278	0.4
365.10709	0.8
405.13730	4.3
519.29303	6.1
540.56464	0.4
635.76514	0.4
681.34680	9.3
782.94446	0.5
797.52002	1.1
959.57043	100.0
960.57397	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	964.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46149	2.6
70.02948	1.1
70.06596	19.3
71.06934	0.4
72.08160	13.5
77.03961	0.4
82.06589	0.7
84.04507	4.7
84.08121	0.9
85.04033	1.7
86.07455	0.4
86.09708	0.4
91.05485	13.3
93.07065	1.1
98.21523	0.4
99.09231	1.2
103.05479	5.6
105.07043	1.7
107.04936	0.5
109.37367	0.4
110.06059	0.4
111.05598	0.5
115.05015	1.2
117.05768	1.3
117.07046	0.8
117.32788	0.4
118.06545	7.4
119.04956	6.1
120.08112	66.9
121.08459	0.6
127.08703	2.4
128.05037	0.5
130.06534	100.0
131.06865	1.3
132.08099	9.8
136.07587	41.7
142.06526	2.1
143.07336	1.0
144.08095	10.9
144.09235	0.6
145.07602	0.5
146.06018	30.1
154.06532	1.8
156.08095	1.0
157.07602	0.7
158.06029	4.8
158.08380	0.9
159.09190	27.5
160.07585	0.9
162.09125	1.3
168.08073	0.7
169.07626	10.4
169.09773	0.6
170.04636	0.8
170.06029	10.7
170.07504	0.6
171.09174	5.1
172.07622	0.7
174.12802	1.0
175.08646	0.5
176.07036	0.3
181.07545	0.9
181.09741	10.6
182.06041	1.4
183.09180	2.6
184.11252	0.8
185.10686	0.4
186.05414	0.5
186.10341	0.8
187.08696	2.9
188.07079	67.0
189.07387	1.6
189.10216	0.5
191.08157	0.7
195.09175	0.6
197.07205	2.2
197.08926	0.5
198.05519	0.5
199.08669	4.8
199.12415	0.6
200.06987	0.5
201.10272	0.4
201.13853	2.1
205.09740	51.3
206.10059	0.6
207.11317	0.9
209.09210	4.0
211.08696	2.8
211.12166	0.7
213.10248	0.7
215.08171	10.8
217.09727	2.0
219.14944	0.6
225.13820	0.6
227.08125	1.5
229.09676	1.2
229.13377	15.1
232.10815	3.0
235.10780	1.2
236.10352	0.5
239.11957	0.5
241.13361	1.3
243.07687	0.6
244.11009	0.9
245.09224	3.1
246.12503	1.1
250.09732	0.5
251.08037	0.7
251.11877	0.5
252.15105	0.6
253.13361	1.1
255.07639	0.5
256.10785	0.7
257.12863	34.2
258.13138	1.0
268.14401	1.2
269.12881	0.9
270.16138	0.8
273.13953	0.4
274.11899	1.1
274.15268	0.5
280.14401	1.5
281.12885	3.4
284.10257	0.8
285.12357	13.3
286.12070	0.5
286.15417	0.5
290.15012	0.6
292.12903	11.0
296.13928	0.5
297.12430	0.5
302.11395	1.2
302.14941	6.3
314.15005	4.3
316.16626	0.6
319.14001	2.0
324.13458	0.7
325.11829	0.6
326.14911	1.3
342.14487	2.0
344.16147	7.1
354.14426	1.6
360.15829	0.5
361.18698	1.0
371.17105	2.6
372.15543	6.2
383.17072	0.5
385.18439	0.5
389.18198	9.1
394.17691	0.9
399.16605	1.9
411.16473	0.8
411.91553	0.4
429.17654	1.2
431.17441	0.5
437.21973	0.7
439.19662	1.2
443.20935	0.5
444.18924	0.7
449.18176	1.6
489.21124	2.2
493.24380	0.5
498.23489	2.3
504.25760	0.7
512.23047	2.7
514.24402	1.8
526.23212	1.9
530.24188	3.1
532.25592	3.6
540.22583	3.2
548.24774	2.7
553.79144	0.5
558.23523	20.2
559.23730	1.2
565.27820	1.0
575.25604	1.0
576.24561	9.4
584.67572	0.4
594.25934	0.6
645.30255	2.0
667.28345	0.6
673.29181	1.4
702.32068	0.5
728.30560	0.5
734.45886	0.4
756.32288	0.6
760.31567	0.5
936.41290	1.0
946.40649	1.9
964.40381	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.5068
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	10.2
69.03434	7.1
69.07079	5.2
70.06592	2.8
71.04997	44.1
72.08148	1.1
73.02918	2.4
73.80589	0.5
75.04490	4.9
77.03932	0.6
79.05501	7.8
81.03442	3.6
81.07063	25.1
83.04990	12.7
83.08624	2.0
83.24158	0.5
83.58026	0.5
84.08145	1.5
85.02911	100.0
86.03250	0.6
86.09711	1.4
87.04462	2.9
89.06046	0.6
91.03946	1.2
91.05485	8.6
93.06487	0.8
93.07057	15.3
95.04984	1.9
95.08615	20.4
97.02904	10.4
97.06526	0.6
97.10182	1.0
98.20760	1.5
99.04468	2.6
101.06036	0.6
103.03928	1.3
103.05450	0.6
105.07040	15.7
107.07879	1.0
107.08604	20.5
107.30492	0.5
109.02903	3.4
109.06506	1.0
109.10164	15.2
111.04448	7.9
111.11751	0.5
115.05610	0.6
117.07039	1.9
119.08589	18.6
120.08135	0.5
121.06548	0.9
121.09332	1.0
121.10159	13.1
123.04477	0.5
123.08071	0.6
123.11716	5.3
125.09638	0.6
127.03926	11.8
129.05492	37.2
131.08611	4.1
133.10143	8.0
135.11726	6.6
137.13274	1.0
143.08583	1.2
145.04964	17.8
145.10144	7.1
147.06537	21.1
147.11696	8.2
149.13269	9.5
149.14395	1.0
153.12857	0.5
155.08577	0.6
157.10190	1.7
159.11711	9.3
161.13261	6.8
163.06030	7.7
163.14839	7.6
165.07639	1.4
171.06560	0.6
171.11757	1.6
171.70444	0.5
173.07994	0.6
173.13283	5.0
175.14847	5.9
177.16411	4.0
179.10605	0.5
183.11684	0.6
185.13316	0.9
187.14845	2.2
188.09062	0.6
189.12886	0.6
189.16379	2.5
191.18010	1.0
197.13158	0.8
199.06107	0.6
199.14909	1.3
201.16414	5.8
203.17995	2.4
211.14981	0.6
213.16417	1.2
215.17990	8.5
225.07629	0.9
225.16481	0.7
227.17990	0.8
229.19456	1.0
229.27618	0.7
231.08694	1.0
237.07558	2.2
243.08578	0.6
243.21220	0.7
255.08643	6.0
257.22672	1.2
269.22684	1.2
271.24225	17.2
273.09711	8.9
281.22623	0.7
283.24307	0.8
289.25317	1.3
291.10645	0.9
309.11810	13.9
310.12109	0.8
325.11304	3.3
377.13364	0.5
381.27887	1.0
397.27179	0.6
399.28894	1.2
417.30063	1.9
424.78339	0.6
433.29996	0.5
984.95831	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
66.90672	0.2
67.05493	0.2
68.05025	1.4
69.03436	2.2
69.83839	1.1
70.06598	2.2
71.04982	0.3
73.02924	0.4
79.05499	11.8
80.05037	1.3
81.03426	2.9
81.07072	0.5
83.04980	0.9
85.02911	2.7
85.25636	0.2
91.05486	10.5
95.04979	1.5
96.08134	0.4
97.02898	1.4
97.06533	1.8
98.06061	9.3
98.20821	0.3
99.04484	1.3
100.07610	0.4
103.46384	0.2
105.04569	0.2
107.04961	3.6
107.05630	0.3
109.02850	0.9
116.07111	2.8
119.04950	23.7
120.05258	0.2
124.07604	1.8
125.05998	28.0
126.06343	0.3
127.03929	0.7
127.46194	0.2
128.11583	0.2
142.08643	51.6
143.07051	0.9
143.09003	0.5
145.04984	0.6
147.04419	100.0
148.04726	1.5
159.99118	0.2
160.09702	54.4
161.10052	0.5
163.06085	0.2
165.05502	1.4
166.08516	0.3
176.09216	0.2
184.09671	0.3
192.10286	0.3
202.10674	0.5
242.10269	0.3
259.46362	0.2
259.75018	0.2
260.11441	0.3
268.11917	0.4
273.07590	0.3
286.12933	0.7
287.05603	0.2
291.08734	1.8
303.04965	0.3
304.13879	1.8
309.09683	4.9
318.03748	0.2
322.14981	12.1
450.17804	0.2
468.18567	1.2
471.14670	0.4
484.20142	0.5
630.23621	0.3
714.58752	0.2
792.28253	0.6
815.65576	0.2
954.34601	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	954.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	0.2
68.05035	1.4
69.03426	2.6
70.06594	2.2
70.89751	0.3
70.90096	0.3
71.04987	0.3
72.94372	0.2
73.02911	0.4
77.03954	0.2
79.05495	11.6
80.05017	1.4
81.03419	4.0
81.07051	0.5
83.04984	1.1
85.02913	2.8
91.05485	8.5
95.04977	1.8
96.08152	0.4
97.02906	1.6
97.06529	1.5
98.06059	9.1
99.04440	1.3
100.07621	0.3
105.04549	0.2
107.04958	3.7
109.02895	1.6
116.07114	2.7
119.04950	18.8
124.07607	2.0
125.05997	26.6
126.06365	0.3
127.03917	1.0
132.74799	0.2
142.08640	52.2
143.07028	0.8
143.08980	0.4
145.04987	0.5
147.04416	100.0
148.04756	1.9
160.09700	54.9
161.10020	0.7
165.05479	5.7
197.24576	0.2
202.10800	0.5
242.10117	0.2
260.11313	0.4
268.11792	0.2
273.07541	0.7
281.97620	0.2
286.12845	0.8
291.05377	0.2
291.08658	3.8
303.05063	0.3
304.13864	2.1
309.09692	9.2
310.10110	0.3
322.14969	12.7
323.15350	0.3
405.71985	0.2
471.14847	0.9
484.20261	0.5
646.33490	0.2
774.28082	0.3
792.28827	0.4
936.33887	0.3
954.34229	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	953.723
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	58.2
69.03120	1.4
69.03439	10.4
69.07073	26.8
69.25330	4.4
69.25764	5.1
71.05000	1.9
71.08635	1.6
75.02196	1.0
77.03923	1.8
79.05497	57.2
81.03425	15.1
81.07061	98.9
83.04967	2.8
83.08623	12.0
85.02907	7.8
85.06544	2.2
90.05569	5.2
91.05482	49.3
93.07050	88.7
95.04987	8.8
95.08614	100.0
97.02910	6.5
97.06567	2.1
97.10174	5.6
99.04446	1.9
99.08081	1.6
103.05437	1.9
105.04552	3.8
105.07037	65.8
107.04937	1.2
107.08601	72.9
109.02883	4.4
109.06550	4.4
109.10164	66.0
110.10511	1.3
111.04485	2.7
111.08091	1.6
111.11723	3.5
115.05473	1.8
117.07023	14.9
119.06133	1.9
119.08591	61.1
120.01727	0.9
121.10150	60.0
123.04439	1.1
123.08078	1.5
123.11716	28.2
125.09631	1.4
127.03922	3.6
128.06226	3.0
129.07018	5.6
130.07803	2.6
131.08585	26.5
133.06529	2.5
133.10141	42.0
135.11700	36.5
137.09644	2.1
137.13264	10.8
141.06926	2.7
142.07803	4.8
143.08568	13.3
144.09335	3.6
145.04987	2.0
145.06433	1.1
145.10132	36.9
147.11694	34.1
147.12817	2.2
149.13261	34.3
151.14854	2.5
155.08588	5.0
156.09358	4.0
157.10144	19.1
158.10881	1.8
159.11703	39.0
160.12419	1.3
161.09708	1.6
161.13275	25.9
163.11180	1.9
163.14824	15.5
167.08557	1.5
168.09262	1.4
169.10141	9.0
170.10976	2.0
171.11705	20.0
172.12325	1.0
173.09697	1.3
173.13280	28.4
175.11215	1.8
175.14851	21.6
177.16402	12.1
181.10118	2.4
182.10890	1.7
183.11691	8.4
185.13287	14.8
186.13934	1.1
187.14848	14.8
189.16394	16.3
191.17999	6.6
195.11734	3.4
197.13246	7.3
199.14851	12.5
201.16362	15.3
203.17979	13.5
205.19533	2.5
207.11777	1.9
209.13281	4.2
211.14845	8.0
213.16409	14.7
215.17961	19.7
217.19536	9.1
223.14885	3.2
225.16403	6.5
227.17978	9.7
229.19551	6.9
231.17439	1.6
231.21062	2.7
233.19095	2.5
237.16405	2.5
239.17978	6.0
241.19511	5.5
243.21086	7.3
245.19055	1.4
245.22586	2.7
251.17960	3.4
253.19597	4.8
255.21161	7.0
257.19012	1.4
257.22647	5.6
263.17831	1.6
265.19531	2.5
267.21075	4.1
269.22665	11.3
271.24179	7.0
279.21051	1.8
281.22614	5.3
283.24316	8.0
285.25775	3.0
293.22443	1.3
295.24246	5.2
297.25790	3.0
307.24420	1.7
309.25882	2.7
311.27411	2.2
321.25647	2.0
323.27322	3.8
325.28918	4.1
335.27325	2.3
337.28967	3.9
339.30212	1.2
349.28998	2.7
351.30627	3.2
359.22287	2.3
363.30505	2.1
365.32248	2.6
375.30194	1.4
377.23175	2.2
379.33633	1.4
391.33640	2.7
393.35062	1.6
405.35400	2.6
419.36673	3.4
431.37003	2.3
433.38498	1.5
459.39850	3.3
471.39877	1.3
473.41583	2.3
485.41229	1.1
487.54456	1.2
541.47742	33.4
559.48706	3.1
935.70850	4.8
953.72333	25.1
954.71832	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	948.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
65.77489	0.7
67.05185	1.1
67.05511	15.3
68.05027	3.2
69.03084	1.1
69.03432	13.9
69.07068	5.0
69.94952	3.6
70.06593	4.5
71.04973	1.5
73.02931	1.3
77.03912	0.9
79.05497	35.7
79.69561	0.7
80.05019	9.3
81.03420	18.2
81.07060	45.1
82.06601	0.7
83.04967	5.0
83.08622	1.8
84.04507	1.5
85.02908	16.5
90.19718	0.7
91.05486	21.1
93.07049	41.2
95.04970	11.8
95.08609	25.8
96.04486	0.9
97.02902	9.2
97.06528	6.6
97.10181	1.5
98.06058	20.5
99.04464	5.4
103.03967	0.8
103.05483	1.4
105.04520	1.6
105.07034	35.1
107.04966	8.0
107.08595	29.8
108.04503	1.0
109.02888	6.6
109.06491	3.9
109.10163	18.8
110.06042	1.6
111.04440	2.7
111.08098	1.4
115.05450	1.5
116.06314	0.8
116.07094	3.9
117.07024	6.1
119.04991	0.8
119.08585	43.9
121.06506	3.3
121.10150	33.2
122.06078	0.8
122.10461	0.8
123.04494	1.1
123.08075	4.0
123.11716	6.6
124.07597	9.1
125.05995	42.2
125.09616	1.4
126.06290	0.9
127.03934	4.5
127.04697	0.7
128.06204	1.8
129.07014	2.6
130.07794	1.9
131.08585	12.5
133.06458	1.6
133.10146	16.9
135.08057	6.1
135.11705	12.1
137.05913	0.7
137.09619	1.9
137.13324	0.9
138.05521	0.8
138.72824	0.7
140.07057	1.3
141.09079	0.9
142.08647	100.0
143.07101	1.1
143.07401	1.2
143.08595	7.1
144.09352	1.6
145.04955	1.9
145.06549	1.1
145.10132	19.6
147.08014	1.8
147.11690	13.0
147.12798	1.0
149.09631	3.2
149.13255	10.3
151.11208	1.4
155.08574	2.8
156.09315	0.9
157.10136	8.0
158.08141	1.2
159.08044	2.0
159.11702	18.9
160.09702	64.0
161.09621	3.7
161.13257	11.0
162.09187	0.9
163.11218	2.3
163.14833	6.1
166.08670	1.1
169.10126	6.0
171.08040	1.0
171.11678	6.7
173.09657	1.9
173.13272	11.7
175.11169	2.7
175.14833	6.2
177.12790	1.1
178.08684	1.0
179.08669	0.8
179.10622	0.9
181.10086	1.7
182.10910	0.9
183.11710	3.5
184.09723	2.5
185.09680	1.1
185.13217	3.8
187.11165	1.4
187.14835	9.1
189.12773	2.6
189.16399	6.3
191.14380	0.8
195.11703	0.9
197.13229	3.5
199.14824	4.0
201.16344	3.8
202.10684	3.8
203.14270	1.2
203.17995	3.3
204.10297	1.6
205.15852	1.1
206.08186	1.9
209.13354	1.5
211.14885	3.9
213.12878	1.3
213.16357	1.8
215.14354	1.4
215.17961	2.0
217.15903	2.7
221.15518	0.8
223.14850	1.8
225.16385	2.2
227.18005	3.4
229.15900	1.9
229.19434	4.1
232.09698	3.9
239.17845	1.0
241.19728	0.8
250.10736	5.3
250.53156	0.7
253.19469	1.2
255.21078	1.1
257.22647	8.2
265.19635	1.2
267.21136	4.8
268.11926	1.1
283.20618	1.7
285.22125	10.2
286.12970	1.1
297.22266	1.1
301.21613	2.0
303.23148	1.6
304.13712	1.0
313.17743	0.8
322.14960	1.6
327.23233	1.7
341.24802	0.8
351.23044	0.9
365.24741	1.1
375.23093	1.3
393.24081	4.6
394.79663	0.7
408.34039	0.8
411.25403	8.9
419.27585	0.9
429.26395	13.1
447.27493	10.0
465.27289	0.8
541.24493	0.7
544.32697	1.2
552.33844	4.1
570.34155	3.4
588.35498	10.0
606.36389	19.2
607.36499	1.2
700.35516	2.3
732.39197	1.9
750.40515	10.0
768.41656	46.4
769.41766	2.9
786.42871	1.0
948.47748	4.2
967.14362	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	940.5999
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	62.5
68.05815	1.2
69.03436	16.3
69.07072	23.8
70.12149	3.6
71.01340	1.6
71.04996	3.0
71.08628	2.2
77.03949	1.5
79.05498	49.5
80.05829	1.3
81.03426	26.4
81.07063	100.0
82.07388	1.9
83.04982	7.4
83.08621	10.9
83.67764	1.1
85.02448	1.2
85.02917	12.2
85.06550	2.3
87.04460	1.2
89.32930	1.1
91.05486	57.2
93.07050	78.4
95.04972	10.0
95.08611	75.2
97.02890	9.6
97.06539	8.3
97.10159	7.2
99.04470	3.8
99.08067	1.8
103.05466	3.6
104.06203	1.2
105.04501	1.7
105.07036	77.8
107.04970	8.6
107.08600	70.0
108.08946	1.1
109.02206	1.9
109.02875	13.1
109.06537	6.5
109.10162	50.5
110.10532	1.4
111.04441	4.2
111.08081	3.6
111.11733	1.5
115.05456	3.2
117.06239	1.4
117.07030	19.4
119.06020	1.4
119.08589	67.8
121.06510	4.3
121.10152	51.2
123.08077	3.5
123.11709	14.6
125.09634	4.6
127.03924	18.1
127.35194	1.2
128.06210	3.4
129.05524	1.4
129.07018	10.0
130.07838	2.0
131.04900	1.8
131.08582	31.7
133.06499	3.2
133.10143	36.9
135.08044	4.1
135.11699	26.8
137.09602	4.5
137.13239	3.6
139.11201	2.4
141.06990	5.4
142.07745	3.2
143.08589	11.2
144.09363	1.3
145.04991	2.0
145.06482	4.3
145.10127	28.0
147.08047	4.0
147.11693	28.0
147.73656	1.1
149.09630	7.0
149.13264	25.9
151.11232	1.1
155.08603	5.2
155.10635	1.2
156.09369	1.5
157.06477	2.1
157.10149	11.8
159.08032	3.1
159.11696	29.3
161.09639	2.7
161.13264	22.1
163.11145	5.4
163.14822	15.2
165.12775	1.2
167.08531	1.9
169.10153	6.9
171.08083	2.5
171.11731	9.0
173.09621	2.3
173.11795	2.9
173.13229	15.2
175.11172	3.5
175.14832	12.4
177.12761	2.5
177.16403	9.1
179.10693	1.2
181.10153	2.5
181.12265	3.3
183.11746	5.8
185.09558	1.7
185.13310	6.2
187.11185	2.7
187.14836	6.6
189.11217	2.7
189.12817	1.2
189.16415	8.1
191.14317	1.3
191.17998	1.7
193.12175	1.5
195.08246	1.4
195.11868	2.2
195.13811	5.1
197.09621	1.6
197.13286	4.8
199.11232	1.5
199.13182	1.8
199.14835	5.4
201.12793	1.6
201.16409	10.9
203.14299	1.4
203.17995	6.3
207.11620	1.2
209.13417	2.5
211.11307	1.2
211.14857	2.4
213.12871	2.2
213.14633	1.4
213.16411	4.4
215.14485	1.4
215.17966	19.1
217.15898	1.8
219.13812	1.6
219.17471	2.1
221.90788	1.2
223.14909	1.9
225.12758	1.2
227.17833	1.6
229.14294	2.0
229.19582	3.9
235.16989	4.3
237.16542	1.9
239.17998	4.4
241.19690	1.2
247.20418	1.2
257.19028	4.7
259.20667	1.7
259.39413	1.1
269.22665	1.9
271.24213	24.4
272.24527	1.3
273.18524	2.1
275.20102	29.5
275.23117	1.5
276.20587	1.2
285.14987	1.2
293.21164	6.2
297.18436	1.8
297.21802	1.2
303.15900	2.2
317.21033	2.0
321.17096	1.9
325.17136	1.7
335.25876	1.8
336.26248	2.6
337.26376	1.4
339.17896	5.2
343.19162	1.2
361.20102	1.7
365.21030	1.5
379.21182	2.9
383.22141	4.7
401.23166	7.5
419.24298	14.6
437.25684	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	940.6001
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	48.6
69.03437	12.8
69.06726	1.4
69.07075	17.2
69.53702	0.7
70.06608	0.9
70.91315	0.7
71.04996	4.7
73.02896	1.0
77.03938	1.9
79.05499	51.3
81.03427	21.1
81.07063	95.1
82.92729	0.7
83.04989	5.6
83.08638	6.5
85.02904	10.7
85.06548	2.8
87.04488	1.3
91.04906	1.8
91.05489	56.3
93.07052	100.0
94.07410	0.9
95.04983	13.1
95.08615	58.8
97.02900	8.9
97.06548	4.5
97.09614	0.7
97.10184	2.9
98.20737	1.9
99.04462	3.3
99.08092	1.4
103.05464	4.4
104.06287	0.8
105.04556	3.7
105.07041	85.7
105.33508	0.7
106.07877	1.0
107.04983	2.3
107.08604	82.5
109.02908	5.4
109.06545	7.6
109.10165	32.5
109.10927	0.9
111.04469	1.9
111.08091	5.4
115.03929	1.2
115.05464	3.1
116.06250	2.3
116.07067	1.3
117.07026	18.8
119.06126	1.4
119.08592	66.3
121.06539	3.7
121.10152	51.5
122.10490	0.8
123.04479	1.2
123.08099	5.4
123.11720	11.6
125.09644	11.1
127.03938	5.7
128.06229	4.4
129.05519	1.7
129.07021	9.6
130.07802	3.3
131.08582	31.3
133.06511	2.0
133.10144	38.7
135.08051	3.9
135.11693	22.7
137.09622	4.4
137.13283	2.9
139.11209	1.5
141.07010	3.6
142.07787	6.3
143.08585	16.6
144.09380	4.0
145.04955	1.8
145.06509	1.9
145.10136	39.3
147.04404	2.3
147.08018	2.5
147.11697	39.3
149.09636	5.8
149.13278	18.7
151.11172	4.8
153.07021	1.3
155.08575	5.0
156.09367	3.1
157.10139	19.4
158.10951	2.3
159.08124	1.3
159.11707	38.1
161.09602	3.0
161.13271	25.0
163.11162	3.6
163.14822	8.1
165.09125	0.9
165.12791	2.0
167.08614	1.3
169.10107	5.3
170.10973	2.1
171.08049	1.3
171.11703	14.5
172.12271	0.9
173.09650	2.3
173.13278	20.2
173.14700	1.4
175.11249	2.4
175.14848	15.4
177.12779	2.3
177.16406	2.9
179.08594	1.3
179.14320	1.2
181.10182	2.2
183.11703	4.1
185.09563	1.3
185.13287	10.0
186.13756	0.8
187.11223	1.8
187.14851	9.9
189.12851	1.5
189.16382	5.1
191.14336	1.0
195.11708	2.4
197.13300	3.6
199.11221	1.2
199.14847	9.8
201.16397	15.0
203.14380	1.1
203.18056	2.1
205.15898	0.8
209.13383	1.4
211.14803	3.3
213.16414	14.3
215.18027	2.8
217.15921	1.9
217.19556	1.2
219.14143	0.8
219.17444	1.4
223.14951	0.9
225.12854	1.2
225.16437	2.1
227.17952	6.9
228.99414	1.0
229.19521	4.2
231.13969	0.8
231.17471	1.2
233.15749	0.9
241.19543	2.8
243.21068	2.7
247.17097	0.9
255.21234	1.1
259.20633	2.4
261.22244	6.4
267.21054	2.9
269.22659	36.9
271.21011	0.9
271.24106	2.0
273.22229	1.2
277.21597	2.2
281.22855	0.9
285.22165	3.6
287.23679	8.4
289.21750	1.0
295.20535	1.1
299.23959	0.7
301.21692	1.1
303.23242	3.4
313.22031	0.9
315.23276	1.4
327.23190	1.5
341.24936	1.9
345.24161	0.9
351.23276	1.5
369.24255	3.7
387.25253	5.5
405.26544	5.5
423.27036	1.0
549.45349	0.8
652.40027	0.9
811.80316	0.8
908.15240	0.8
921.68964	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	940.6002
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	36.8
69.03432	12.9
69.07067	15.0
69.16011	4.1
69.16436	4.0
70.06568	1.0
71.04977	3.9
71.08618	0.8
77.03929	2.7
79.05021	1.1
79.05495	41.9
81.03421	11.0
81.07059	100.0
82.07399	1.0
83.04994	6.3
83.08617	8.1
85.02907	20.7
85.06527	3.1
91.03954	1.4
91.05485	45.2
93.07047	93.1
94.07359	1.5
95.04452	1.0
95.04979	9.6
95.08613	59.1
96.08920	1.0
97.02908	10.1
97.06528	5.1
97.10155	3.9
98.20786	1.6
99.04441	2.3
99.08084	1.7
103.05470	3.0
105.04556	1.8
105.07034	86.4
107.04951	1.7
107.08598	87.5
108.08965	1.2
109.02885	4.1
109.06521	10.6
109.10159	39.7
111.04443	1.5
111.08077	6.3
111.11708	1.1
115.03977	1.2
115.05438	2.8
116.06225	1.8
117.07024	12.8
119.06096	1.8
119.08586	76.6
121.06524	2.0
121.10149	56.5
123.04435	1.2
123.08095	5.7
123.11707	17.8
125.09636	28.0
127.03941	6.2
128.06207	3.8
129.07011	8.6
130.07759	3.4
131.08566	29.3
133.06490	1.9
133.10139	38.3
134.26941	0.8
135.08037	3.8
135.10701	1.7
135.11694	24.1
137.09615	4.6
137.13222	2.7
139.11125	1.7
141.06982	3.1
142.07770	5.9
142.45828	0.9
143.08580	14.9
144.09387	4.0
145.04955	3.6
145.06490	1.0
145.10127	42.1
146.10768	1.0
147.04404	3.4
147.08026	1.1
147.11700	39.2
149.09630	5.0
149.13260	22.5
151.11188	12.9
155.08533	2.4
156.09320	3.2
157.10129	21.5
158.10875	2.2
159.08072	1.2
159.11699	39.3
161.09616	2.7
161.13257	32.6
162.13632	1.1
163.11200	3.6
163.14810	6.7
165.12759	2.5
167.10641	1.1
169.10114	4.2
170.10909	1.7
171.11696	16.8
172.12439	1.1
173.13255	20.7
175.11302	2.1
175.14819	17.8
177.12764	3.5
177.16380	3.4
179.14368	1.3
181.10146	1.1
183.11707	3.9
185.09576	1.0
185.13223	9.9
187.06036	0.9
187.14835	10.2
189.12776	1.8
189.16399	7.0
191.14343	1.1
191.17865	1.6
193.15962	0.9
197.13206	3.3
199.14839	12.1
200.15593	1.0
201.12770	1.0
201.16397	17.2
203.17938	2.6
205.15759	1.3
209.13353	1.1
211.14806	3.2
213.16414	16.7
215.17946	2.6
217.15868	2.0
217.19505	1.0
219.17439	3.3
225.16290	1.5
227.17966	8.6
229.19545	11.0
231.17523	1.2
231.21091	1.1
241.19557	2.1
243.21039	1.7
259.20679	1.2
259.24197	1.3
261.22110	2.4
267.15894	1.2
267.21085	2.2
269.22650	37.1
271.23984	1.2
285.22073	3.6
287.23669	11.3
303.16226	1.0
303.23215	2.8
351.23071	1.2
369.24210	3.6
387.25446	4.0
405.26553	4.4
418.81036	0.9
423.27454	1.3
441.63495	0.9
504.88931	0.9
685.92670	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	940.5999
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	51.0
68.05830	0.8
69.03436	10.4
69.07067	13.8
69.91589	3.7
71.01357	0.9
71.04996	5.1
73.02917	1.4
77.03955	1.5
79.05497	46.0
81.03418	10.0
81.07063	86.2
82.07384	1.3
83.04979	7.4
83.08626	8.9
85.02908	11.6
85.06549	6.4
87.04452	1.2
91.05486	64.8
93.07048	100.0
95.04971	12.7
95.08612	75.3
95.09087	1.1
95.09248	1.5
95.60857	0.8
97.02895	6.2
97.06534	6.8
97.10136	2.2
99.04446	1.9
99.08080	1.3
103.05464	3.0
105.04531	4.2
105.07036	77.8
107.04961	2.1
107.08600	54.4
109.02881	2.9
109.06524	7.7
109.10159	20.5
111.04430	1.7
111.08094	10.9
115.05469	3.4
117.07022	17.5
119.04951	3.6
119.08586	46.3
121.06499	3.9
121.10152	28.8
122.93056	0.9
123.08067	4.3
123.11701	5.8
125.09644	7.3
127.03913	3.3
128.06216	3.6
129.07033	10.2
130.07791	3.1
131.08575	30.5
133.06477	1.5
133.10139	35.0
135.08052	2.8
135.11700	19.9
137.09624	2.7
139.11197	1.5
141.07094	1.6
142.07777	4.0
143.08559	15.1
144.09344	2.8
145.04877	1.3
145.10133	28.7
147.04413	16.4
147.08063	1.6
147.11694	20.8
148.04735	1.6
149.09631	2.3
149.13289	8.4
151.11169	4.1
155.08543	2.6
156.09344	2.5
157.10130	12.6
158.10918	1.6
159.08051	1.2
159.11705	24.0
161.09573	2.7
161.13275	18.2
163.11224	2.6
163.14806	3.2
165.12808	1.3
169.10141	3.9
170.10982	1.0
171.11729	10.8
173.13264	12.4
175.11206	3.2
175.14856	6.9
177.12776	2.5
177.16371	1.7
179.14293	1.5
183.11678	4.6
185.13286	9.2
187.11247	1.5
187.14822	6.6
189.12778	1.1
189.16368	2.5
191.14302	1.5
193.10136	0.8
195.11674	1.2
197.13260	2.1
199.14835	7.2
201.16397	9.4
203.14375	2.0
205.15829	1.3
211.14796	2.9
213.16422	5.0
215.14354	1.2
215.17973	1.9
217.15880	1.5
225.16487	1.5
227.17990	3.8
229.16042	1.0
229.19496	2.9
241.19518	2.5
259.20422	1.5
261.22052	2.2
267.21124	1.8
269.22684	3.5
285.22043	2.2
287.23810	1.8
291.23361	1.1
303.23300	2.5
325.23788	1.9
326.24313	1.0
341.24643	1.2
351.23132	1.2
369.24237	2.5
387.25244	2.9
392.22491	1.0
405.26346	2.7
495.98401	0.8
559.43555	1.1
577.44403	2.7
723.48260	1.7
882.72345	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	940.5997
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	46.3
69.03435	14.4
69.07076	17.7
69.49593	9.0
71.01350	1.8
71.04995	17.9
76.25500	1.3
77.03920	2.0
79.05500	48.8
81.03431	17.1
81.07063	100.0
83.04983	5.5
83.08620	8.3
85.02911	26.1
85.06540	2.5
87.04453	1.4
91.04898	2.3
91.05486	52.6
93.07048	87.8
95.04985	15.0
95.08615	73.8
97.02895	15.0
97.06536	4.9
97.10154	2.9
99.04445	5.4
103.05437	2.0
105.04516	3.0
105.07037	80.4
106.78480	1.4
107.04948	3.7
107.08601	86.1
109.02905	6.2
109.06525	5.7
109.10165	51.5
111.04460	2.6
111.08098	5.6
111.11709	2.3
115.05450	2.0
117.07019	16.6
118.07762	1.4
119.08590	68.0
121.06472	2.6
121.10155	47.1
123.08084	4.2
123.11710	16.5
125.09620	6.7
127.03920	7.8
128.06221	3.0
129.07022	10.5
130.07779	4.1
131.08588	28.0
133.09132	2.6
133.10144	45.9
135.08113	2.9
135.11705	28.7
137.09619	3.0
137.13298	3.8
141.06995	2.6
142.07777	6.0
143.08574	14.8
144.09369	1.8
145.04951	5.3
145.10139	40.6
147.04436	2.3
147.11703	43.4
149.09645	2.4
149.13278	16.5
151.11131	1.5
155.08531	3.9
156.09311	4.4
157.10168	20.4
158.10890	2.6
159.11703	43.3
160.11964	1.4
161.09579	1.8
161.13269	37.1
163.05920	1.4
163.11198	2.1
163.14850	9.3
169.10139	3.7
170.10867	1.6
171.11703	17.0
173.09636	1.4
173.13274	21.5
175.11226	1.4
175.14845	23.9
176.10771	1.3
177.16383	4.6
181.10165	1.8
183.11676	1.8
185.13252	11.3
187.14799	9.8
189.12831	1.6
189.16345	8.7
197.13336	4.0
199.14838	10.4
201.12646	1.5
201.16396	24.2
203.14313	2.4
203.17940	4.2
211.14780	3.3
213.16396	21.4
215.17931	4.8
217.15976	1.8
217.19518	23.2
219.17365	2.9
225.16357	2.2
227.17953	8.1
229.15898	1.6
229.19554	4.8
231.17461	1.5
241.19516	4.5
243.21063	3.8
255.21075	1.4
259.20532	3.4
261.22122	5.8
267.21222	2.2
269.22650	40.8
271.21326	1.2
271.24109	7.0
273.22260	1.4
277.21719	2.1
285.22198	3.1
287.23773	7.2
291.23337	1.7
301.21555	1.8
303.23172	3.8
306.82214	1.5
327.23044	1.8
341.24893	2.7
345.24292	1.8
361.58310	1.3
369.24390	8.2
387.25320	8.3
405.26361	6.2
420.78195	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	940.5998
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	62.8
69.03434	10.8
69.07067	13.4
70.06592	3.1
70.81161	1.5
71.01348	1.0
71.05001	4.7
73.02911	1.4
77.03944	2.1
79.05498	57.2
80.05840	1.0
80.06279	1.3
81.03423	18.4
81.07059	92.8
83.04989	6.3
83.08618	6.3
85.02913	8.0
85.06547	12.5
91.05487	58.1
93.07049	76.4
95.04972	13.1
95.08610	92.2
97.02900	9.9
97.06532	6.4
97.10164	1.6
99.04471	2.8
99.08094	1.3
101.33636	0.8
103.05473	3.9
105.04543	3.5
105.07036	100.0
107.04986	2.9
107.08598	56.2
109.02883	5.5
109.06520	6.3
109.10162	21.7
109.10918	0.9
111.04450	2.2
111.08105	4.9
113.09641	1.1
115.03948	1.1
115.05477	3.0
116.06278	1.9
116.07096	2.3
117.07018	18.6
119.06105	1.3
119.08588	53.3
121.06539	3.3
121.10145	31.8
123.04465	0.9
123.08082	4.7
123.11712	5.6
125.09641	7.8
127.03954	4.6
128.06195	4.5
129.05519	1.5
129.07019	10.5
130.07791	2.7
131.08571	28.4
133.06538	1.4
133.10136	38.4
135.08102	4.7
135.11696	19.6
137.09644	5.2
137.13261	1.1
139.11151	1.3
141.07011	2.5
142.07780	5.3
143.08572	12.9
144.09340	3.0
145.06557	0.8
145.10141	28.7
147.04402	1.5
147.08072	1.9
147.11687	20.2
147.12810	1.3
149.09637	3.1
149.11461	0.9
149.13287	10.6
151.11192	3.7
153.09113	1.6
154.07793	1.0
155.08574	5.6
156.09349	1.7
157.10127	13.2
158.10919	1.5
159.08084	1.3
159.11705	23.5
161.09596	2.2
161.13263	34.4
163.11140	2.1
163.14803	3.9
165.09140	0.9
165.12776	2.0
167.08607	1.1
169.10095	6.0
171.11717	10.0
173.09601	1.4
173.13298	14.1
175.11211	1.9
175.14853	5.9
177.12759	2.0
177.16452	1.3
179.14349	2.6
181.10120	1.0
183.11742	4.1
185.09702	1.0
185.13272	7.9
187.11234	1.3
187.14853	7.4
189.12680	1.2
189.16386	3.2
191.14287	1.9
195.11827	1.0
197.13289	3.4
199.14897	5.1
201.16402	4.4
203.14386	2.1
205.16042	1.0
211.14810	3.3
213.16379	4.7
215.14442	1.3
215.18071	0.9
217.15886	1.9
224.27188	0.8
225.16377	1.9
227.17940	4.5
229.16066	1.0
229.19458	1.7
241.19574	1.9
243.21214	1.4
257.18967	0.9
259.20633	2.4
261.22150	5.2
267.21118	1.6
269.22626	4.3
277.21710	1.2
285.22177	2.8
287.23721	1.5
289.21536	1.1
301.21710	1.0
303.23221	2.8
327.23077	1.0
351.23212	1.9
357.24060	0.8
369.24371	2.6
387.25281	3.2
405.26639	3.8
490.78131	0.9
609.75848	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	940.5116
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	15.2
69.03436	5.2
69.07071	7.7
70.62822	2.0
71.01361	1.4
71.05000	58.0
71.09142	0.7
71.64461	0.8
72.08147	0.6
73.02932	3.4
75.04480	5.7
79.05499	11.1
81.03432	3.1
81.07063	37.0
82.41254	0.6
83.04991	20.5
83.08630	3.3
85.02912	100.0
86.03262	0.8
87.04475	2.8
91.05482	10.8
93.07052	25.4
95.04986	4.4
95.08615	30.3
97.02901	5.0
97.06542	1.9
97.10178	2.4
99.04466	4.1
100.41752	0.7
101.06024	1.2
103.03976	1.3
105.04611	0.8
105.07043	24.1
105.18535	0.7
106.18923	0.7
107.08604	29.4
109.02898	2.4
109.06548	2.1
109.10166	25.2
109.93945	0.7
111.04456	14.9
111.05215	1.0
111.11731	1.5
113.02365	0.7
113.06032	1.0
113.20422	0.7
115.03922	0.9
117.05537	1.5
117.07034	2.6
119.08591	25.9
121.06554	0.7
121.10154	21.8
123.04440	0.9
123.08072	1.2
123.11710	10.5
125.05999	1.2
125.09631	0.8
127.03938	5.7
128.06314	0.7
129.05493	36.7
129.07001	1.6
131.08574	6.9
133.10149	13.3
135.11711	13.0
137.13290	2.2
139.11256	0.9
143.08583	1.6
145.04993	4.1
145.10146	9.5
147.06540	18.1
147.11688	10.6
149.13272	14.0
150.07503	0.7
153.05518	3.8
157.05040	1.3
157.10190	2.7
159.06583	1.2
159.11713	12.8
161.09572	0.8
161.13258	14.0
163.06046	2.3
163.14827	10.1
169.10194	1.1
171.06454	1.6
171.11734	2.3
173.13274	8.0
175.11188	0.9
175.14835	9.0
177.12880	0.8
177.16388	6.7
182.27402	0.7
183.06551	0.7
183.11737	1.3
185.13264	1.0
187.14842	5.3
189.16402	4.9
191.17984	2.0
197.13329	1.7
199.14868	1.4
201.07619	1.4
201.16414	8.5
203.18004	4.2
207.11867	0.7
213.07693	1.6
213.16441	1.8
215.17981	11.0
227.18045	0.8
229.19598	2.3
231.21112	1.6
237.07672	1.6
239.09187	6.5
243.21155	0.9
255.08746	2.7
257.10242	4.4
257.22745	2.3
269.22726	2.3
271.24237	24.3
273.09674	3.8
275.11343	4.5
281.22745	0.9
289.25366	2.0
293.12317	12.5
295.24341	1.1
300.29745	0.7
309.11826	4.8
363.26807	1.0
381.27982	0.8
399.29062	1.6
417.30200	4.3
436.93127	0.7
696.82080	0.8
703.46808	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	940.5117
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	14.6
69.03430	5.8
69.07076	7.3
69.52451	4.2
71.01359	1.7
71.04996	63.4
72.05325	0.9
73.02921	3.6
75.04485	5.9
77.03883	0.8
79.05498	11.9
79.05960	0.7
81.03433	3.0
81.07059	37.6
83.04988	20.3
83.08615	3.5
85.02908	100.0
86.03245	0.7
87.04459	3.8
91.05486	11.2
93.07049	24.4
95.04973	4.3
95.08611	28.5
96.08903	0.6
97.02904	6.4
97.06549	1.8
97.10191	1.8
99.04464	3.5
101.06004	1.2
103.03983	0.9
105.07034	22.7
107.08601	29.5
109.02890	2.5
109.06530	1.9
109.10165	24.5
109.10931	0.8
111.04442	17.2
111.08063	0.8
111.11728	0.9
113.06020	1.3
115.37426	0.6
117.05536	1.3
117.07006	2.8
119.08586	27.3
121.06517	0.8
121.10148	20.5
122.10487	0.6
123.04474	0.8
123.08119	1.9
123.11726	8.5
125.06036	0.8
125.09628	0.8
127.03927	6.6
129.05486	35.6
129.07016	0.9
131.08582	6.7
133.10132	13.3
135.08116	0.9
135.11696	11.5
137.05981	0.8
137.09612	0.8
137.13266	2.2
143.08539	1.6
144.09402	0.9
145.04959	4.0
145.10121	11.7
147.06531	20.8
147.11694	11.9
147.12816	0.9
149.05875	0.8
149.13268	15.4
151.11206	0.7
153.05528	3.5
155.08553	1.0
156.09467	0.7
157.04970	0.6
157.10152	3.1
159.06554	1.1
159.11690	16.8
161.13263	13.2
163.06033	2.2
163.14825	11.8
165.07687	0.7
165.09119	0.6
165.42578	0.7
169.10178	1.2
171.06560	1.7
171.11766	1.5
173.13251	6.8
175.11273	0.6
175.14822	9.8
177.16415	7.0
179.07014	0.7
183.10193	0.6
183.11676	2.0
185.13277	2.2
187.14845	4.8
189.16388	5.6
191.17992	0.8
195.11804	0.8
197.13290	1.1
199.14818	1.5
201.07605	1.9
201.16373	7.3
203.17947	4.3
211.14897	1.4
211.48297	0.6
213.07539	0.6
213.16388	2.0
215.14343	0.8
215.17941	11.7
217.19594	1.3
223.14922	0.6
225.16446	1.0
227.17987	1.6
229.19591	2.7
231.21034	1.3
237.07571	1.1
239.09178	7.2
241.19667	0.9
243.21109	1.0
255.08632	3.3
255.21260	0.8
257.10202	4.6
257.22693	2.3
269.22559	3.4
271.24213	25.7
273.09665	4.8
275.11237	6.7
281.22504	1.2
283.24091	0.8
289.25217	2.8
293.09161	0.5
293.12283	13.7
295.24142	1.5
299.23828	0.8
307.24023	0.7
309.11838	5.4
325.25443	0.9
331.22861	0.8
337.25510	0.8
381.27945	1.3
399.29025	1.9
417.30057	3.8
508.60297	0.6
547.26782	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	938.6267
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	7.2
69.03416	3.7
69.07071	23.0
70.06580	3.3
71.04977	1.3
71.08609	2.6
71.49811	1.2
72.08138	1.5
73.02920	1.2
73.06561	7.9
79.05483	1.1
81.03425	1.6
81.07056	11.6
83.08173	1.0
83.08625	19.0
84.08130	1.0
85.02917	8.1
85.10158	1.0
86.09717	1.1
87.04479	13.2
89.06036	100.0
91.05497	1.4
91.07555	1.2
93.07018	1.9
95.08610	11.0
97.02898	2.4
97.10179	13.1
98.21040	1.4
107.07054	2.1
109.10156	7.0
111.11720	7.8
117.09133	9.2
123.11707	2.6
125.13264	5.0
130.08594	1.8
131.07024	3.7
133.08614	61.4
134.08907	1.1
135.10185	1.2
137.13306	1.3
161.11758	2.3
167.15930	1.0
175.09679	3.7
177.11235	31.4
184.07364	1.3
186.81065	0.9
195.11967	0.9
221.13867	8.8
221.22673	1.8
239.14890	2.1
265.16412	3.1
283.17477	4.2
283.26337	11.3
309.18973	1.6
321.96655	1.0
323.16476	0.9
327.29004	6.9
353.21695	1.5
389.32788	1.3
447.50229	1.1
477.38248	1.6
495.65805	1.1
547.33057	3.0
565.42542	1.5
741.53516	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	938.5841
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	2.2
67.05512	22.4
67.86800	0.5
69.03439	8.1
69.06728	1.2
69.07072	11.8
70.06584	0.8
71.04989	1.8
71.50738	0.7
77.03924	0.9
79.05500	20.7
81.03426	17.9
81.07063	39.7
83.04998	4.6
83.08629	5.9
85.02917	6.0
85.06545	1.3
91.05491	22.8
93.07053	29.7
95.04980	6.5
95.08617	27.0
95.09078	0.5
95.09242	0.7
97.02898	7.6
97.06550	1.7
97.10166	4.8
99.04450	2.9
103.05487	1.2
105.04568	0.6
105.07041	28.5
107.04964	4.2
107.08603	26.7
109.02888	14.3
109.06506	3.3
109.10166	24.4
110.45775	0.6
111.04443	1.0
111.08064	1.6
115.05492	0.9
117.07018	5.7
119.04904	0.8
119.06098	0.6
119.08592	20.0
121.06529	3.0
121.10158	15.5
123.04434	1.2
123.08087	3.3
123.11730	6.5
125.09640	3.4
127.03928	17.0
127.07594	0.9
128.06242	0.7
129.07065	2.8
129.33199	0.7
130.07793	0.8
131.08585	10.7
133.06511	3.4
133.10138	20.9
135.08063	3.4
135.11700	7.9
137.06050	1.0
137.09631	1.5
139.11177	0.7
141.07001	0.8
142.07828	0.9
143.08575	3.0
144.09305	0.8
145.06529	0.8
145.10132	9.9
147.08063	4.1
147.11693	9.0
149.09651	3.3
149.13272	7.4
151.11205	9.9
154.08795	0.7
157.10143	2.2
159.08055	1.3
159.11720	10.1
161.09628	3.7
161.13272	8.5
162.10327	0.7
163.11237	1.3
163.14798	5.7
165.09106	0.9
169.10155	1.4
169.12248	4.0
171.08066	1.1
171.11711	2.2
173.09677	1.7
173.13242	4.1
175.11252	2.2
175.14835	5.3
177.09103	0.8
177.16403	3.3
179.10690	1.4
185.09666	0.9
185.13237	0.8
187.11290	1.0
187.14861	1.6
189.11220	3.2
189.16455	2.9
197.11671	0.9
199.11427	0.8
201.12759	0.7
201.16380	3.5
203.10669	0.8
203.17950	1.2
205.12230	1.0
207.13864	0.7
211.13322	1.4
213.16481	1.0
215.12827	2.9
215.17963	6.3
223.13293	6.0
227.18050	1.0
229.19600	0.8
239.12762	1.2
245.18985	2.1
249.14894	1.9
255.17517	0.6
259.13342	0.9
261.18527	1.0
263.20062	2.0
271.24219	11.4
273.18521	13.0
275.20096	0.9
277.14426	0.7
291.19568	100.0
292.19888	2.5
297.13321	0.9
309.20694	2.9
323.14951	1.5
341.15881	3.3
353.21054	0.7
363.21768	0.7
375.37625	0.7
381.20654	1.1
399.21649	3.3
417.22675	6.9
435.23840	13.7
453.24857	5.1
468.17349	0.8
470.09561	0.7
583.21545	1.2
584.21796	1.1
644.23956	0.8
661.70068	0.7
694.44336	0.8
712.45166	0.7
775.56207	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	938.5326
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	4.0
67.05508	100.0
69.03411	4.8
69.07072	17.5
70.06575	2.3
71.04990	5.4
71.54526	1.1
73.02903	3.3
77.03925	1.2
79.05498	50.0
81.03422	9.3
81.07061	69.1
83.04970	4.9
83.08624	14.8
85.02430	1.9
85.02905	21.2
85.06551	3.7
86.09702	1.6
87.04460	4.2
91.03948	5.1
91.05482	30.6
92.91264	1.2
93.07044	47.8
95.04971	6.1
95.08613	46.0
97.02891	7.4
97.06518	4.4
97.10174	19.2
99.04450	1.6
99.08102	2.4
103.03938	1.6
105.04555	1.3
105.07029	20.0
106.94212	1.0
107.04943	2.3
107.08595	29.1
109.02900	1.4
109.06488	2.6
109.10159	56.6
111.08064	2.8
117.07009	7.4
118.31481	1.1
119.08585	17.7
121.06489	2.1
121.10146	23.1
123.08054	3.1
123.11710	5.5
125.09648	16.7
127.03892	3.5
129.05478	1.2
129.07028	3.1
131.08560	13.8
133.10133	14.3
135.11688	13.3
137.09621	3.0
137.13280	1.7
139.11154	2.3
143.08563	3.7
143.10670	4.3
144.14563	1.2
145.04947	2.1
145.10133	12.6
147.08118	1.6
147.11688	6.8
149.02385	5.3
149.09700	2.4
149.13263	8.1
151.11183	1.8
155.08586	1.5
155.10663	3.8
157.10127	4.2
159.11700	8.9
161.09607	1.4
161.13272	5.6
163.06087	2.8
163.11166	4.8
163.14798	3.8
171.11671	2.0
173.09583	1.1
173.11722	14.7
173.13240	6.1
175.11186	1.8
175.14861	3.0
181.12251	2.1
184.07298	1.6
185.13298	2.0
187.14841	3.5
189.11320	2.2
193.04979	2.3
193.12253	2.7
197.13277	2.1
199.11667	1.2
199.13260	7.9
199.14763	1.3
209.11722	3.3
211.13237	1.6
217.14349	3.0
225.16396	1.7
227.12799	6.6
229.14363	50.7
230.14735	1.5
243.21136	4.4
245.13821	3.8
259.20596	4.0
261.19229	2.0
261.22113	18.1
267.15872	6.9
275.19928	1.2
277.21347	1.2
283.15363	1.9
289.18130	1.2
289.21533	1.9
299.23697	1.8
301.16452	16.4
317.24701	1.9
327.23218	1.8
335.25821	90.0
336.26160	2.5
351.25299	1.8
363.25308	3.4
381.01239	1.2
451.31546	1.9
463.21942	1.4
471.34662	1.3
477.35995	10.1
489.35791	27.4
543.36658	7.0
561.37848	11.8
569.20135	1.9
579.38556	3.8
629.22845	2.7
723.43152	2.3
782.48450	1.3
837.48468	1.3
911.48761	1.3
938.44971	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	937.5861
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	1.7
69.03441	2.8
69.07064	0.4
70.70690	0.7
70.71089	0.8
71.08643	1.1
73.02920	3.4
79.05502	1.4
81.03416	1.9
81.07065	2.5
83.08614	0.8
83.31541	0.4
85.02906	6.3
85.10193	0.7
87.04467	0.6
89.13759	0.3
91.03951	3.6
91.05482	0.4
93.07077	1.2
95.08597	2.4
97.02895	5.5
99.04460	0.8
101.02409	1.4
105.07040	0.6
109.02886	0.6
109.10192	1.5
115.03953	0.5
121.10186	0.5
122.35124	0.3
123.11723	0.4
127.03902	2.0
130.81306	0.3
145.04987	0.7
185.04320	1.0
203.05156	0.6
243.08556	1.6
263.47849	0.3
273.08905	0.4
313.27512	1.0
335.25922	0.6
347.09509	1.9
363.09079	0.7
365.10730	1.2
389.09497	0.4
405.02133	0.4
405.13657	4.7
421.13480	0.3
497.30917	3.8
519.29504	4.7
659.36139	4.9
681.34583	6.5
775.53265	1.0
937.58588	100.0
938.58838	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	936.5542
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	4.1
67.05508	63.4
69.03424	4.9
69.07072	18.1
70.06572	1.3
70.29944	1.1
71.04977	3.0
71.08640	13.0
73.02905	2.1
77.03923	2.1
79.05495	48.8
81.03421	87.7
81.07059	67.3
83.04983	7.7
83.08155	1.6
83.08622	24.7
85.02917	7.1
85.06534	2.4
85.10199	5.8
87.04468	1.6
89.06047	1.6
91.03958	5.1
91.05482	36.6
93.07051	49.5
95.04974	27.8
95.08610	49.9
97.02888	5.5
97.06545	4.1
97.10165	11.3
98.98490	4.6
105.04517	1.5
105.07032	26.0
107.04961	6.1
107.08600	28.0
109.06506	5.9
109.10162	24.5
111.04482	2.5
111.08084	8.0
113.09638	1.5
115.05447	1.8
117.07037	9.7
118.58421	1.1
119.08580	26.3
121.06498	4.7
121.09331	2.3
121.10148	25.1
121.46014	1.1
123.04399	1.6
123.08074	4.6
123.11732	6.8
125.09631	5.8
129.07010	11.0
131.08580	19.9
133.06462	3.6
133.10150	14.3
135.08151	1.2
135.11693	12.6
137.09624	3.4
137.13245	1.8
142.07800	2.4
143.08565	3.3
145.04997	2.9
145.10138	11.6
147.08034	4.3
147.11687	15.3
149.09654	6.4
149.13248	8.1
153.09050	1.5
155.01064	3.7
155.08556	1.7
156.06221	1.2
157.10135	11.1
159.11687	8.0
161.13283	4.6
163.06017	3.1
163.11163	4.1
163.14809	4.5
165.12885	2.4
166.34337	1.2
169.10107	2.3
171.11690	1.7
173.13232	7.1
175.11168	7.3
175.14845	2.8
185.13281	3.0
187.14812	2.9
189.11205	3.3
191.10762	1.5
191.14377	1.7
193.12262	17.2
198.05359	1.5
199.14799	1.5
205.12248	2.1
216.06339	1.9
227.12738	7.8
235.13371	1.5
237.14920	1.3
243.21172	3.5
249.14851	2.6
261.22137	18.7
267.15921	80.5
280.16415	1.3
282.27933	10.6
289.17990	1.6
301.14520	3.0
301.25095	6.3
309.16928	3.0
313.27380	100.0
314.27625	3.6
317.24677	2.8
335.25806	82.7
336.26178	2.1
393.24051	8.4
421.25983	2.6
435.27219	2.1
435.32455	3.8
436.28271	26.0
453.33670	6.5
454.23364	2.0
454.29288	28.5
471.34720	2.9
509.36115	1.9
527.37347	62.1
528.01178	1.3
528.37402	2.6
545.38409	57.1
546.38342	2.0
559.40210	2.0
569.38495	8.4
587.40057	1.5
611.39276	2.2
623.39697	3.3
635.38934	4.5
653.40271	3.7
671.41113	1.9
749.50372	1.3
774.53259	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	934.625
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05518	46.1
69.07059	18.5
71.40540	11.3
71.40874	9.9
72.72758	6.5
73.81440	8.9
76.59911	7.8
79.05502	48.4
81.03418	16.8
81.07063	100.0
85.02897	16.4
88.02208	7.1
91.05472	41.2
93.07040	62.2
95.08619	86.2
97.10182	13.2
105.07037	68.3
107.08614	72.0
108.35592	8.4
109.10171	81.9
110.94077	8.2
117.07039	12.4
119.08605	58.2
121.10142	53.7
123.11697	28.9
131.08545	21.8
133.10118	26.8
135.11716	42.2
145.10118	25.5
147.11705	35.2
149.13258	32.2
159.11708	35.0
161.13263	33.2
163.14830	23.1
173.13300	18.9
175.14793	23.3
177.16418	22.4
187.14839	14.4
189.16388	16.4
201.16377	23.9
203.18121	11.0
215.17993	29.9
271.24200	62.0
365.29620	8.4
369.24265	10.2
436.06967	8.1
554.72101	8.1
666.47064	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	935.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
68.93789	0.1
68.99786	0.3
69.03429	1.2
71.04967	0.2
71.49218	0.1
73.02914	0.7
81.03432	0.5
85.02907	6.5
87.04429	0.2
91.03434	0.1
91.03957	2.1
93.98504	0.1
97.02898	2.6
99.04419	0.3
105.03376	0.2
107.04960	0.1
109.02897	0.5
111.00790	0.5
115.03899	0.1
121.02023	0.1
121.02872	2.2
127.03919	1.9
133.02844	0.3
137.02327	0.4
145.03932	0.2
145.04964	1.8
145.06078	0.2
145.06544	0.1
147.04393	0.3
152.78461	0.1
153.01837	2.0
157.06403	0.2
161.05930	0.1
163.06018	1.6
165.01851	1.1
171.04419	0.2
183.02866	0.6
185.05946	0.2
189.05463	0.1
197.05991	0.1
213.05478	0.8
231.06534	0.6
232.41142	0.1
241.04922	0.7
243.06456	0.1
258.05264	0.8
259.05988	0.4
269.04315	0.2
287.05502	100.0
288.05832	2.4
299.05511	0.2
311.05328	0.2
329.06674	0.6
353.06467	0.3
395.07242	0.1
431.09750	0.2
449.10831	19.5
450.11221	0.7
611.16589	0.2
683.89215	0.1
686.73230	0.1
695.81122	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	930.5838
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05514	0.5
69.03445	1.0
69.37840	0.5
70.06596	5.5
71.04983	2.0
71.50069	0.5
72.08151	2.5
73.02924	5.4
73.06556	8.2
78.53139	0.4
81.07064	0.7
84.04494	1.1
84.08150	2.9
85.02917	0.6
86.09717	2.5
87.03928	1.0
87.04472	25.8
89.06033	100.0
91.05488	0.9
93.07053	0.5
94.17691	0.4
95.04944	0.8
95.06035	0.5
95.08610	0.6
103.07585	84.2
104.07896	0.5
107.07079	1.5
110.07172	0.9
112.08733	1.0
113.06008	3.5
113.85895	0.5
115.07586	1.4
117.09133	9.5
119.08565	0.7
120.08102	1.7
129.10265	1.1
130.08640	0.9
131.07050	6.4
133.08609	62.8
134.08957	0.7
135.10197	0.8
147.04376	0.8
147.10164	37.4
157.08568	0.7
159.10188	1.2
161.11719	2.5
175.09644	4.6
177.11229	20.9
184.07320	0.6
191.12767	1.3
200.57896	0.4
214.26003	0.5
219.12280	1.4
221.13879	3.4
238.46005	0.4
249.09236	0.6
265.16391	0.8
267.18054	0.7
283.17480	1.0
309.19061	0.6
353.21756	0.7
436.39542	0.5
544.25562	0.5
586.24725	0.5
664.62189	0.5
913.54352	1.0
930.58514	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	932.6308
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03913	1.5
67.05508	32.2
69.03390	1.6
69.07072	8.5
71.04967	0.9
71.08637	18.9
71.42630	0.5
73.02925	3.4
77.03884	0.7
79.05498	16.3
81.03406	1.0
81.07062	35.4
83.04957	0.8
83.08623	8.7
85.02907	12.9
85.06497	1.0
85.10190	10.8
89.05984	1.3
91.03424	0.6
91.03957	9.3
91.05482	9.4
93.07048	22.4
95.04942	1.8
95.08614	34.0
97.02901	6.9
97.06513	1.0
97.10183	4.5
99.04437	0.7
99.08054	0.7
99.11698	0.5
103.07542	1.1
105.07028	7.1
107.07906	0.7
107.08602	12.8
108.08934	0.5
109.06499	0.6
109.10161	16.1
111.11668	1.0
115.03890	1.3
115.07565	0.9
116.06223	0.5
116.07031	0.6
117.07015	2.6
117.09091	0.8
119.08582	6.5
121.09345	0.7
121.10146	11.0
123.10986	0.5
123.11719	6.7
125.09608	0.6
127.03933	4.2
131.08574	7.0
133.10133	5.4
135.10738	0.5
135.11703	8.8
137.09612	0.5
137.13214	2.1
139.11168	0.5
145.04980	5.9
145.10109	4.4
147.11714	4.3
149.13261	6.5
151.14865	0.7
159.11702	4.5
161.13258	2.9
163.06030	5.9
163.11244	0.6
163.14842	4.6
173.13293	3.9
175.14804	1.1
177.16344	1.1
187.14908	2.6
187.16441	0.6
201.16405	1.6
233.22649	1.2
233.46999	0.5
239.23689	2.7
243.21085	9.2
257.24750	2.1
261.22153	35.0
262.22467	0.7
271.46289	0.5
279.23096	0.9
313.27383	100.0
314.27701	2.0
317.24689	5.4
335.25821	75.8
336.26199	1.7
353.26956	0.8
499.45248	1.0
573.48828	41.9
574.49268	1.7
591.49908	7.3
594.49170	0.6
903.72675	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.5391
Annotation	Unknow
Peak:m/z	Relative Intensity
69.68652	2.8
69.69083	4.7
71.58546	1.4
84.60128	1.2
87.72845	1.1
98.21594	1.9
238.62814	1.1
240.18913	1.4
245.11554	1.3
477.22610	3.5
491.27982	2.8
581.37347	1.5
929.53900	100.0
930.53473	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	928.5992
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	4.3
66.98717	2.3
67.05509	73.1
69.03426	4.0
69.07070	25.8
71.04987	3.5
71.08630	4.6
71.51140	2.9
73.02925	5.7
79.05500	44.0
80.91502	2.8
81.07061	100.0
81.07533	5.9
83.08626	10.7
85.02901	23.9
85.06547	4.2
91.03947	17.8
91.05486	31.2
93.07047	52.8
95.08616	73.5
97.02914	12.7
97.06518	7.5
97.10173	7.2
99.08095	6.5
105.07030	20.4
107.08608	28.5
109.10162	29.4
113.09662	2.8
117.06994	5.3
117.44382	2.5
119.08582	21.1
121.10159	28.1
123.11726	14.4
125.09690	3.6
127.03934	7.5
131.08594	12.3
131.15785	2.9
133.10135	19.5
135.11728	24.2
137.13240	5.2
145.04970	9.7
145.10120	10.6
147.11688	15.4
149.13205	15.0
159.11705	7.1
161.13304	9.3
163.06049	9.1
163.14894	5.3
173.13243	9.2
175.14821	3.1
215.17809	3.8
217.19508	7.5
233.19003	6.2
235.20622	8.8
243.21086	5.0
259.20645	5.2
261.22134	18.0
262.93735	2.9
307.22592	3.9
309.24268	90.5
311.25793	7.9
317.24792	4.4
321.84277	3.1
335.25812	78.4
337.27371	6.6
495.42261	4.6
500.95578	2.8
569.45728	29.3
587.46655	37.3
635.30804	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	926.6205
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03959	3.4
67.05511	43.5
69.03412	10.2
69.06799	2.6
69.07072	28.0
71.05009	15.8
71.08609	5.9
71.51418	4.3
77.03595	3.3
79.05499	30.5
81.03406	11.1
81.06593	6.3
81.07059	100.0
83.04955	4.4
83.08626	18.7
85.02885	13.9
87.04475	3.9
91.05492	27.9
93.06493	6.3
93.07047	79.5
95.04961	8.8
95.08611	71.2
97.02888	6.7
97.06535	3.3
97.10167	6.5
99.08087	6.5
105.07040	41.8
107.04971	5.4
107.08604	75.5
109.06536	3.2
109.10159	96.5
111.04417	5.4
111.11688	3.2
117.06995	9.6
117.09126	3.8
119.08592	46.7
121.10152	62.2
123.11710	23.4
125.09575	7.3
127.11204	58.5
129.07033	6.0
131.08543	12.9
133.10138	32.3
135.11681	33.8
137.13266	9.2
143.10646	12.0
143.15874	3.8
145.10123	26.7
147.11685	32.1
149.13260	56.4
153.12743	8.5
157.10095	8.9
159.11713	22.4
161.13280	19.8
163.14822	26.1
165.12784	5.3
171.11542	4.1
173.13287	15.5
175.14812	13.8
177.16336	10.7
179.14331	4.2
185.13269	6.2
187.14885	22.3
189.16376	13.8
191.17950	15.9
193.15953	4.1
199.14862	5.2
201.16403	17.5
203.17981	38.1
205.19398	4.4
215.17931	12.6
217.19615	6.7
219.17371	6.9
259.88663	3.5
261.25934	4.7
271.24234	33.0
289.25330	41.1
301.21533	4.3
301.25031	3.9
369.24213	10.9
387.25220	4.8
405.26498	4.9
801.16248	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	926.5833
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03953	5.3
67.05506	100.0
69.03426	5.4
69.07072	23.0
69.07459	0.9
71.05001	5.4
71.08642	1.1
71.51336	1.3
73.02911	9.2
73.06561	1.1
77.03916	1.1
78.04772	0.7
79.05495	82.2
81.03423	3.6
81.07058	99.9
82.07392	1.3
83.04989	2.9
83.08622	12.4
85.02906	35.3
85.06557	4.1
85.81354	0.8
87.04478	2.4
91.03413	1.5
91.03960	22.4
91.05482	49.4
93.07045	93.0
94.07345	0.9
95.04977	6.8
95.08607	71.3
96.04496	1.3
96.08959	0.9
97.02895	18.5
97.06527	6.5
97.10165	5.6
99.04468	2.5
99.08092	5.5
101.02373	1.4
101.09637	0.8
103.03972	1.1
103.05473	2.0
105.04557	3.7
105.07031	37.7
107.04977	1.1
107.08597	44.5
109.02911	0.8
109.06525	2.4
109.10159	34.3
111.08083	2.9
111.11729	0.9
113.09618	1.2
114.52046	0.8
115.03926	1.9
115.05468	1.0
115.11259	1.1
117.07018	12.9
117.09142	2.7
119.08585	32.5
121.06459	1.6
121.10146	43.3
123.08076	1.8
123.11714	13.9
125.09621	1.6
127.03908	8.8
129.05434	1.2
129.07008	4.9
130.07808	0.9
131.08574	25.9
133.10129	33.5
134.10590	0.8
135.08064	2.0
135.11697	34.9
137.09637	2.2
137.13254	5.4
139.11165	1.3
141.07036	0.8
143.08554	4.9
145.04962	12.5
145.10127	23.1
147.11687	22.3
149.09604	2.9
149.13260	17.9
151.11177	1.8
151.14804	1.4
155.08524	1.3
157.10143	6.2
159.11690	17.8
161.09639	0.8
161.13254	11.4
163.06033	13.8
163.11150	2.0
163.14856	5.4
165.12727	1.3
171.11691	8.6
173.13269	14.1
173.14828	1.2
173.15424	1.5
175.11252	1.0
175.13419	1.3
175.14790	5.5
177.12645	1.1
177.16403	2.2
180.08810	1.0
183.11595	1.3
185.13307	3.8
187.14828	6.0
189.16330	3.6
191.14290	1.1
191.17917	1.3
195.11531	0.9
197.13277	1.3
199.14809	3.6
201.16406	2.7
203.17957	3.0
205.19528	2.5
209.13286	1.0
211.14748	1.4
213.14595	1.1
213.16380	7.6
215.17975	22.5
217.19505	2.7
219.17226	0.8
225.16463	1.1
227.18088	1.3
229.19533	1.0
231.17436	8.9
231.21059	1.7
233.19041	19.3
235.20528	1.3
241.19563	3.9
243.21130	5.1
245.22679	1.1
259.20609	8.5
261.22150	16.3
263.23599	1.1
275.20062	1.3
285.21964	0.9
287.23608	1.0
289.21567	1.0
295.22586	1.1
305.21283	4.5
307.22675	84.2
308.23004	1.4
309.24225	10.8
315.23105	0.9
317.24710	3.0
327.26749	1.3
331.12051	0.8
333.24277	7.5
335.25812	88.7
336.26028	2.4
337.23846	0.8
337.27411	9.9
475.39093	2.2
483.34109	0.9
489.35767	1.4
493.40405	4.8
497.36053	0.8
511.41254	1.7
567.44098	24.7
585.45148	32.0
586.45618	1.8
739.97870	0.9
768.90680	0.8
858.55255	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.6049
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	3.7
67.05508	56.3
67.70165	2.0
69.03434	11.3
69.07073	25.9
69.15238	5.0
69.15643	18.0
72.08122	3.0
78.50935	1.9
79.05498	55.6
81.03426	17.9
81.07063	100.0
83.04969	6.9
83.08623	10.2
85.02918	11.4
85.06572	3.0
86.09723	2.3
87.50902	1.9
91.04904	2.9
91.05478	54.8
93.07047	89.9
95.04960	6.8
95.08611	85.5
97.02893	7.6
97.10178	7.9
99.04443	3.2
102.56841	1.7
103.05447	4.3
105.04517	3.0
105.07040	83.3
107.04946	3.1
107.07875	4.3
107.08599	74.7
109.02879	4.8
109.10166	60.1
111.04482	3.1
111.11727	2.5
115.05472	3.0
117.07039	21.9
119.08588	70.8
121.10155	56.5
123.04472	3.9
123.11733	20.7
127.03926	4.9
128.06248	5.6
129.05502	3.2
129.07028	13.1
130.07831	3.1
131.08578	33.1
133.06531	2.5
133.10135	41.0
134.91228	2.0
135.08113	2.6
135.11696	32.4
137.13242	4.4
141.06999	4.5
142.07770	4.8
143.08562	19.6
145.10121	42.1
147.07994	2.3
147.11702	37.8
149.09612	3.8
149.13283	23.8
155.08588	10.4
156.09283	3.0
157.10152	18.9
159.11707	39.4
161.09650	3.7
161.13274	26.2
163.14838	16.7
167.08617	2.9
168.09283	2.4
169.10117	8.5
170.10912	2.2
171.11729	14.8
173.13283	20.6
175.11217	2.2
175.14851	17.5
177.16452	9.1
181.10162	4.1
183.11688	9.5
185.13246	13.2
187.14857	11.6
189.16377	9.7
190.13301	2.1
195.11703	4.5
197.13292	5.6
199.14836	11.4
201.16306	10.6
203.17955	6.8
209.13284	5.3
211.14874	6.5
213.16429	12.6
215.17960	18.9
217.19406	2.9
221.13255	2.2
223.14854	2.8
225.16325	2.8
227.17946	4.7
229.19427	2.8
237.16353	1.9
239.17963	3.7
241.19478	2.7
251.17871	2.6
253.19574	2.0
255.17429	2.4
255.20920	3.0
259.20651	4.0
267.21106	3.6
269.22638	10.9
271.24222	28.7
275.20117	2.8
283.20493	2.1
328.52921	2.1
349.21555	2.0
367.22699	3.3
385.23825	5.5
403.24805	6.8
564.30920	2.1
691.48871	7.9
709.50690	12.6
924.46960	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	922.5891
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	0.9
66.61684	0.7
67.05181	1.3
67.05506	15.2
69.03411	2.8
69.07068	6.6
70.06590	1.0
71.04983	1.2
71.08626	1.5
71.51461	0.8
73.50789	0.6
77.04282	0.7
79.05492	16.5
81.03419	6.4
81.06594	1.3
81.07057	22.4
83.04979	2.0
83.08607	2.8
85.02921	3.3
85.06534	1.5
89.05994	1.1
90.14429	0.8
91.04895	1.2
91.05481	19.9
93.07043	19.8
95.04962	2.9
95.08607	13.6
97.02883	3.0
97.06532	3.3
97.10160	1.7
99.04455	2.7
99.08092	1.1
105.04461	0.8
105.07032	21.9
107.04942	2.9
107.08591	15.5
109.02899	7.8
109.06511	2.6
109.10159	9.2
115.05389	0.7
117.07020	7.6
119.08583	17.6
121.06467	1.9
121.10140	11.9
121.10961	1.3
123.08038	1.4
123.11705	2.7
125.09565	1.0
127.03918	6.8
129.06990	2.5
131.08569	11.3
133.10138	12.9
135.08078	1.2
135.11687	5.6
137.09605	1.4
143.08534	2.3
145.04939	0.8
145.10126	8.9
147.11700	8.1
149.09631	3.4
149.13245	2.5
153.12746	1.1
155.08572	1.0
157.10104	1.6
159.11676	8.0
161.09662	0.8
161.13222	3.6
163.11172	1.5
163.14778	1.5
169.10124	0.8
171.08128	1.0
173.11940	0.8
173.13239	3.6
175.11147	1.1
175.14844	3.3
179.14333	1.3
185.13260	2.4
187.14839	1.2
189.16420	1.1
201.12920	0.6
201.16435	3.6
203.14378	3.4
209.15366	1.6
215.17952	1.9
219.17445	100.0
220.17792	2.1
223.13054	0.8
239.17827	0.9
257.19086	4.0
271.24219	3.2
275.20062	46.1
276.20377	1.5
287.16495	1.0
293.21060	7.2
313.27463	0.9
327.19540	2.1
359.63751	0.8
366.19217	1.0
383.21967	1.5
401.23331	5.2
419.24310	7.5
437.25412	8.7
512.93915	0.8
671.86920	0.9
696.46637	2.2
922.47101	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	922.5896
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03949	0.9
67.05511	12.2
69.03432	2.0
69.07072	5.1
69.60569	0.6
69.60986	1.8
70.06573	0.4
71.04992	1.3
71.25881	0.3
77.03951	0.4
79.05502	13.8
81.03425	6.1
81.07064	21.5
83.04980	1.3
83.08621	3.0
85.02919	1.8
85.06533	1.4
86.09675	0.4
91.05488	18.1
92.63535	0.3
93.07053	19.0
95.04972	2.2
95.08614	15.3
97.02891	2.2
97.06520	2.0
97.10181	1.0
99.04465	2.6
102.44402	0.4
103.05510	0.6
105.04535	0.8
105.07041	20.1
107.04974	2.3
107.08610	16.9
108.55510	0.3
109.02892	6.3
109.06542	3.2
109.10164	10.2
111.04468	0.6
111.08138	0.4
117.07019	8.0
119.08594	18.4
121.06515	1.7
121.10159	10.9
123.04422	0.6
123.08071	1.7
123.11710	2.7
125.09610	0.6
127.03931	5.5
129.06975	1.9
131.07597	0.8
131.08577	11.8
133.10144	10.6
135.08070	1.2
135.11717	5.3
137.09622	1.6
137.13242	0.5
141.06984	0.8
142.92230	0.4
143.08577	1.5
145.10130	7.3
147.11711	7.6
149.09673	2.4
149.13255	3.4
151.11234	0.5
153.12733	0.6
155.08524	0.6
157.10107	1.8
159.11714	7.7
160.12466	0.5
161.09659	0.6
161.13272	4.6
163.11194	0.7
163.14835	2.6
169.10083	0.6
171.11748	0.6
173.13274	3.6
175.14867	2.8
177.16451	2.0
183.11761	0.8
184.07452	0.5
185.09486	0.5
185.13249	2.1
187.14851	1.5
189.16391	1.1
197.13271	0.8
199.14879	1.2
201.12856	0.4
201.16376	4.5
203.14366	2.2
203.17850	0.7
209.15358	1.1
215.18002	3.2
217.15933	0.7
219.17459	100.0
220.17770	1.5
221.15340	0.5
229.19556	0.8
239.18001	0.9
257.19031	2.3
271.24274	5.3
273.18466	0.5
275.20090	30.7
276.20377	0.9
287.16357	0.4
293.21097	3.5
309.18588	0.7
327.19550	2.1
335.22049	0.9
360.24347	0.3
366.19159	1.3
380.87323	0.4
383.22067	1.1
401.23257	2.6
419.24365	5.0
437.25433	2.9
696.46930	2.4
703.62793	0.4
832.47040	1.1
922.49243	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.6303
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	3.8
67.05515	38.6
69.03431	7.1
69.07077	19.9
69.20120	13.3
73.36550	1.5
76.67236	1.3
77.03932	1.9
79.05072	2.3
79.05502	34.8
80.28603	1.3
81.03428	3.2
81.07067	100.0
83.04986	1.4
83.08616	8.3
85.02914	29.8
87.04475	1.8
91.05492	27.7
93.07056	69.8
95.04975	3.2
95.08617	88.5
97.02908	7.8
97.06554	1.3
97.10174	5.9
98.44294	1.3
103.05454	2.2
105.04535	3.0
105.07043	59.5
107.08611	83.6
109.02890	3.8
109.06541	2.5
109.10166	63.1
116.03258	1.4
117.07035	7.7
119.08599	63.2
121.10160	58.1
123.11720	21.5
127.03905	7.0
129.07039	2.0
131.08595	17.8
133.10146	32.8
135.11705	35.5
137.13257	7.1
141.06960	1.7
142.07814	2.1
143.08577	3.6
145.04947	6.4
145.10132	23.8
147.11711	32.5
149.12207	2.7
149.13284	34.1
157.10117	6.3
159.11703	34.1
161.13284	28.2
161.14618	2.1
163.06010	3.2
163.14835	21.8
169.10149	2.9
171.11685	5.7
173.13261	16.3
175.14850	18.9
177.16415	16.1
185.13252	3.8
187.14853	11.7
189.16389	12.8
191.17972	4.2
197.13223	1.3
199.14848	4.5
201.16371	17.7
203.18062	10.1
213.16365	4.0
215.17975	24.5
217.19452	2.5
225.16338	2.2
227.17905	4.1
229.19470	4.4
231.21104	6.3
236.61984	1.5
241.19574	1.7
243.21130	4.7
269.22678	3.7
271.21310	1.9
271.24240	37.7
281.22543	1.7
283.24170	3.4
289.25278	4.0
351.30261	1.9
463.31595	1.8
541.47717	3.5
559.48730	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	922.5886
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03950	3.3
67.05508	36.4
69.03433	12.8
69.07075	15.3
69.70183	7.3
70.06587	3.3
71.04999	3.9
73.02908	1.7
75.04488	1.5
76.33094	1.0
79.05495	37.1
81.03423	14.1
81.07059	100.0
83.04978	5.0
83.08627	8.1
85.02898	12.5
85.06561	2.3
91.05482	34.1
91.06022	2.3
93.07047	95.3
94.07349	1.3
95.04981	8.0
95.08611	66.0
96.69462	1.2
97.02901	9.8
97.06522	6.2
97.10182	6.2
99.04457	2.2
99.08083	1.5
101.13367	1.0
103.03968	2.0
103.05492	1.9
105.04472	1.6
105.06307	1.7
105.07030	38.9
107.04967	3.0
107.08599	60.5
109.02872	2.7
109.06538	5.6
109.10165	34.7
111.04456	3.9
111.08097	4.8
113.05991	3.3
115.05415	1.5
116.07100	3.0
117.07006	8.1
119.04981	1.3
119.08588	36.3
121.06504	4.2
121.10149	75.5
123.04438	2.1
123.08062	5.1
123.11709	17.1
125.05991	1.8
125.09624	2.8
127.03941	4.3
129.05501	2.5
129.07004	4.9
131.08582	17.7
133.06516	2.8
133.10141	22.3
135.08063	2.5
135.11697	34.3
137.09622	2.9
137.13264	4.2
139.07549	2.1
139.11159	2.6
141.06992	1.7
142.07768	1.8
143.08525	7.2
145.04950	3.0
145.06465	2.2
145.10121	15.8
147.08058	3.8
147.11702	21.7
149.09621	3.2
149.13263	62.6
150.13580	1.8
151.07561	1.5
151.11157	1.5
153.09172	1.3
155.08604	3.6
155.10622	1.5
157.10156	7.8
159.11705	18.1
161.01154	1.4
161.09627	3.6
161.13254	13.9
163.11211	1.7
163.14822	18.8
167.10744	1.4
169.10139	3.2
171.08032	1.4
171.11705	8.3
173.09552	1.3
173.13277	15.6
175.11217	5.2
175.14854	6.3
177.12735	2.7
177.16449	3.1
179.10692	2.3
179.14381	1.4
181.10242	1.9
183.11739	4.6
185.13274	4.2
187.11229	2.1
187.14842	10.3
189.12750	4.4
189.16429	4.6
191.14320	1.8
191.17938	4.7
193.12256	3.1
197.13268	3.3
199.14847	3.2
201.12755	2.1
201.16463	5.5
203.14430	1.4
203.17990	7.7
207.11945	1.2
207.13789	5.1
209.13243	2.0
211.14830	3.3
215.14348	2.6
215.17938	1.5
217.15965	1.3
221.15411	3.3
223.14890	1.5
225.12808	1.4
227.14389	1.6
227.17929	2.2
229.19525	12.7
233.15408	4.3
235.17012	1.7
239.14360	1.3
241.19604	1.1
243.21103	3.2
247.16937	2.9
255.20998	1.3
257.19101	1.4
257.22620	10.8
259.20575	2.6
261.22165	2.0
267.21167	3.0
273.21939	1.9
277.14438	2.0
277.21674	3.7
283.20660	1.8
285.22076	9.8
289.21466	1.7
291.23224	3.2
297.22046	1.8
301.21735	3.9
303.23181	39.5
304.23627	1.8
309.22253	1.6
315.23184	3.8
319.22519	2.5
327.23184	4.3
335.18399	1.3
341.24857	5.2
343.22665	1.4
345.24426	2.0
351.23227	7.8
359.25723	2.3
369.24234	18.4
387.25296	20.8
405.26349	16.6
423.27435	4.2
574.03247	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.581
Annotation	Unknow
Peak:m/z	Relative Intensity
70.08374	2.2
76.00377	0.5
81.07069	1.1
93.07070	0.8
142.29553	0.5
148.48001	0.5
154.96799	0.5
179.80812	0.5
203.05234	1.1
236.85660	0.6
282.27533	0.5
335.73624	0.6
735.51648	3.6
737.53271	20.3
738.54083	0.7
915.58069	100.0
916.58337	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	914.657
Annotation	Unknow
Peak:m/z	Relative Intensity
65.34489	2.1
67.05511	38.0
69.03437	15.2
69.07076	18.5
71.05006	2.4
71.08641	18.2
71.50961	2.5
79.05497	22.5
81.03425	19.3
81.07062	100.0
83.08620	12.8
85.02909	29.8
85.10191	10.2
87.83518	2.2
91.05490	27.6
93.07047	56.4
95.04987	3.2
95.08614	75.2
97.02892	25.0
97.10191	10.6
99.04461	4.6
105.07036	50.4
107.08601	68.6
109.02905	11.6
109.06534	2.2
109.10165	57.2
111.11729	5.7
117.07017	4.0
119.08588	57.8
121.06680	2.2
121.10150	47.3
123.11707	20.9
127.03928	29.1
131.08614	15.1
133.10132	22.7
135.11722	21.4
137.13255	3.2
144.09372	2.7
145.04945	11.3
145.10165	22.0
147.11693	21.3
149.13274	27.8
159.11702	24.2
161.13272	19.8
163.14841	16.9
173.13304	9.2
175.14850	15.3
177.16425	10.6
187.14833	7.4
189.16417	5.4
201.16406	12.5
203.17972	6.5
215.17961	24.2
229.19601	4.4
231.21092	2.7
249.25700	2.4
267.26852	21.5
271.24222	26.2
285.28021	4.1
289.25238	2.4
411.31073	27.9
429.32193	34.3
511.48291	2.2
587.45929	2.4
911.80280	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	914.6566
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	38.2
69.03444	18.6
69.07072	22.8
70.57055	4.9
70.57430	4.8
71.08635	19.6
79.05497	29.8
81.03423	26.7
81.07062	100.0
83.08614	12.6
85.02895	20.4
85.10183	9.3
91.05482	26.9
93.06477	4.4
93.07044	56.3
95.08611	84.3
97.02902	25.9
97.10186	11.1
99.04466	3.2
105.07034	55.7
107.08592	63.7
109.02891	14.5
109.06543	3.1
109.10162	65.5
111.11702	5.9
111.45309	2.2
117.06995	4.2
119.08587	56.7
121.10162	44.2
123.11714	22.0
127.03921	23.9
131.08586	11.4
131.18434	2.7
133.10147	24.7
135.11739	20.8
137.13239	4.4
145.04953	10.4
145.06743	2.3
145.10124	16.6
147.11690	26.6
149.13260	28.9
159.11671	23.6
161.13280	26.6
163.14818	22.0
173.13283	12.4
175.14804	21.2
177.16389	11.6
187.14833	9.5
189.16403	11.4
191.17975	3.3
201.16385	12.1
203.17967	9.4
215.17967	29.1
229.19498	3.4
267.26807	20.8
271.24210	41.0
285.28000	3.2
321.68762	2.4
411.31042	24.8
429.32098	18.7
532.10815	2.4
546.93787	2.5
555.52325	2.8
709.94989	2.4
730.12274	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	913.5651
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05484	0.4
75.61024	0.3
81.07058	0.6
85.46767	0.4
98.07267	0.4
104.23820	0.4
107.08532	0.4
121.06896	0.4
122.80669	0.4
131.23708	0.4
144.19067	0.4
155.07732	0.4
160.93771	0.4
165.52325	0.3
166.35634	0.3
234.08301	0.4
249.85670	0.4
250.50862	0.4
354.64792	0.4
426.71835	0.4
461.25195	16.0
462.25613	0.5
463.26672	8.0
473.28693	5.7
475.30353	32.2
476.30875	1.3
644.06519	0.4
735.51410	0.7
748.87756	0.4
752.75354	0.6
787.63092	0.4
808.56061	0.6
869.44513	0.4
913.56488	100.0
914.56921	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	912.6406
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	4.7
65.77427	2.0
67.05510	44.1
69.03440	13.8
69.07066	26.2
71.08620	5.2
71.51126	2.3
79.05501	30.1
81.03423	24.9
81.07060	100.0
83.04993	3.1
83.08631	16.3
85.02905	14.6
85.10187	4.1
91.05485	31.2
93.07047	63.3
93.24390	2.0
95.04966	4.1
95.08611	81.2
96.95762	2.0
97.02901	14.2
97.10175	11.2
99.04426	2.4
105.07038	54.8
107.08604	67.6
108.51124	2.0
109.02878	6.8
109.10163	61.5
111.04498	2.8
111.11743	3.9
117.07017	6.2
118.35310	1.8
119.08591	56.8
121.09332	3.4
121.10146	50.0
123.11737	20.1
126.57679	2.7
127.03926	13.3
131.08571	14.9
133.10136	23.0
135.11697	31.8
137.06000	2.3
137.13257	3.7
145.04990	2.8
145.10117	21.1
147.11702	25.8
149.13290	27.7
159.11714	26.5
161.12209	2.3
161.13289	29.2
163.14827	25.6
171.11595	2.3
173.13231	8.3
175.14842	20.1
177.16370	12.4
187.14789	11.5
189.16368	10.6
191.17982	3.5
201.16357	19.4
203.17914	7.6
215.17943	30.5
229.19614	4.2
239.23660	3.3
247.24193	3.1
247.93471	2.0
265.25351	11.4
271.24203	45.0
277.25436	2.3
289.25415	2.6
341.79321	2.1
345.27881	3.6
373.27399	10.2
383.27991	3.7
391.28381	16.3
409.29434	11.8
695.06854	2.3
886.86682	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	912.5682
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	5.7
67.05508	49.5
69.03438	14.6
69.07066	18.7
69.15719	2.8
69.16125	11.0
70.06583	4.3
71.04998	20.9
71.08617	2.0
73.02886	2.0
77.03925	2.9
79.05495	51.3
81.03423	21.5
81.07060	100.0
83.04996	7.2
83.08625	11.4
84.11551	1.3
85.02913	26.1
85.06538	2.7
86.09693	2.3
86.13520	1.2
87.04449	1.3
91.03946	1.6
91.04911	2.1
91.05484	61.2
93.07050	90.9
95.04971	14.0
95.08614	69.6
97.02898	15.1
97.06551	3.5
97.10144	3.2
99.04440	5.4
99.08179	1.4
103.03973	1.5
103.05446	3.2
105.04516	3.2
105.07038	89.6
106.07381	1.5
107.04958	2.7
107.08600	86.4
109.02845	7.0
109.06506	6.4
109.10162	49.0
109.10751	0.7
109.10933	1.5
111.08101	7.0
111.11707	2.7
115.05474	2.9
116.06295	1.5
116.07076	3.1
117.07020	15.3
119.08589	74.1
121.06570	1.5
121.10153	54.7
123.04404	2.0
123.08062	3.2
123.11707	22.4
125.09631	5.5
127.03920	7.4
128.06224	3.9
129.05501	2.3
129.07016	8.8
130.07770	4.0
131.08578	27.5
133.06543	1.8
133.10139	45.7
135.08020	4.2
135.11691	29.3
137.09631	3.5
137.13313	2.5
141.06970	2.3
142.07797	6.4
143.08572	15.2
144.09344	3.9
145.04977	6.9
145.10132	42.2
147.08060	1.7
147.11687	46.1
149.09618	5.9
149.13255	16.9
151.11192	1.8
155.08519	4.1
156.09361	4.1
157.10138	20.0
159.08086	2.2
159.11705	39.4
161.09644	2.9
161.13269	36.5
161.65192	1.3
163.11191	2.4
163.14804	5.5
165.09081	1.9
165.12740	1.6
169.10144	4.5
171.08070	2.8
171.11685	15.7
173.13269	21.9
175.11169	3.1
175.14825	22.7
177.12761	3.4
177.16373	4.9
179.14244	1.6
181.10150	2.4
183.11691	4.5
184.07318	3.1
185.13249	12.5
186.13899	1.6
187.11208	2.7
187.14809	10.8
189.12776	1.9
189.16431	9.0
191.14204	1.6
191.17979	1.9
193.12149	1.2
195.11783	1.6
197.13213	3.8
199.11192	1.6
199.14815	8.8
201.12778	1.9
201.16420	23.2
203.14337	1.5
203.17896	4.6
211.14883	2.6
213.16400	17.4
215.17963	10.1
217.19559	25.9
219.17427	3.4
223.14830	1.5
225.12650	1.4
225.16435	2.9
227.18013	8.3
229.19502	3.1
231.17451	3.7
233.18997	4.6
241.19490	2.4
245.19017	1.6
249.18593	1.8
252.82866	1.4
257.19022	1.5
263.20139	1.5
265.14703	1.6
267.15930	3.0
267.21323	2.0
269.22662	38.7
271.24216	7.2
275.20056	3.2
285.22162	1.4
287.23581	2.3
311.25760	4.7
341.21036	4.9
357.47110	1.4
359.22183	4.3
364.04166	1.6
377.23065	6.4
827.74268	1.7
932.19641	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	912.5689
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	4.3
67.05508	42.9
67.47996	1.0
68.05830	0.9
69.03436	8.6
69.07072	11.8
70.06592	4.6
71.01375	1.0
71.04988	4.2
71.29398	1.6
77.03914	2.4
77.65002	0.9
79.05500	47.3
79.26984	1.1
81.03430	12.0
81.07066	70.4
83.05000	7.2
83.08630	9.0
85.02915	9.2
85.06551	5.4
87.04477	1.6
91.05490	64.8
93.07052	100.0
95.04985	11.7
95.08616	60.0
97.02905	6.9
97.06537	5.9
97.10181	2.5
99.04474	2.1
99.08107	1.2
103.05459	2.7
105.04524	4.8
105.07041	60.2
107.04939	2.1
107.07877	2.3
107.08605	48.0
109.02912	1.6
109.06536	8.1
109.09468	2.0
109.10162	24.1
111.04431	1.3
111.08094	12.5
115.05469	3.6
116.06248	1.2
116.07110	4.0
117.07020	15.0
119.08593	43.3
121.06527	3.1
121.09325	1.8
121.10158	25.1
123.08062	4.8
123.11665	5.1
125.09620	5.8
127.03909	3.4
128.06221	4.0
129.07016	8.5
130.07784	3.7
131.08575	26.7
133.06558	1.3
133.10141	29.6
135.08052	2.6
135.11708	17.5
137.09627	3.3
137.13318	1.6
141.07018	1.7
142.07800	5.0
143.08578	14.8
144.09348	4.1
145.04962	1.7
145.10141	29.8
146.10838	1.0
147.08093	2.6
147.11711	16.9
147.31113	1.0
149.09636	5.1
149.13268	5.9
151.11194	4.4
155.08594	4.6
156.09357	1.2
157.10133	13.5
159.11708	22.8
161.09612	3.1
161.13277	14.0
163.11177	3.3
163.14842	3.0
165.12814	1.3
169.10158	4.3
171.11667	7.8
173.13283	9.9
175.11162	2.8
175.14838	5.1
177.12732	1.1
177.16373	1.7
181.10164	1.2
183.11694	3.3
184.07382	3.1
185.13272	9.0
187.14832	7.6
189.12772	3.6
189.16411	2.4
191.14384	1.7
197.13292	3.1
199.14876	6.2
201.16400	9.0
203.14317	1.3
211.14861	3.6
213.16422	4.4
215.17953	2.0
217.15887	1.1
225.16394	1.5
227.17990	3.9
229.19481	2.6
233.18935	1.6
241.19708	2.5
267.20953	2.0
269.22705	5.9
275.19916	1.3
341.21017	1.8
359.21869	1.8
377.23230	2.3
912.54211	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	912.5688
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	5.1
65.49657	1.2
67.05511	40.8
69.03433	15.6
69.07074	18.5
69.80284	6.5
71.05006	6.3
73.02908	1.6
77.03920	2.2
79.05499	57.1
81.03424	22.3
81.07063	100.0
83.04980	5.7
83.08623	8.8
85.02907	12.7
85.06538	3.3
91.05489	57.3
93.07050	98.5
95.04976	13.2
95.08615	55.6
97.02918	10.7
97.06512	3.9
97.10178	2.4
98.21405	2.4
99.04464	3.7
99.08096	1.8
103.03963	1.4
103.05466	4.2
105.04505	2.7
105.07040	81.9
107.04961	2.1
107.08604	84.3
109.02882	6.4
109.06512	8.8
109.10166	36.5
109.10784	0.8
109.10916	1.3
111.04450	2.0
111.08128	6.8
113.09690	1.4
115.05456	3.1
116.07063	1.4
117.07028	15.3
117.31391	1.3
119.06087	1.7
119.08591	76.0
121.06522	3.2
121.10153	64.9
123.04445	2.0
123.08070	5.7
123.11713	15.8
125.09637	14.1
127.03898	6.1
128.06215	4.1
129.07025	10.6
130.07793	4.2
131.07597	2.4
131.08578	34.9
133.10150	43.3
135.08051	5.1
135.11711	28.6
137.09615	3.9
137.13235	2.7
139.11246	2.5
141.07014	2.9
142.07762	5.4
143.08566	18.1
144.09369	4.6
145.04968	1.7
145.06627	1.8
145.10132	44.7
147.08055	2.6
147.11703	42.6
149.09621	7.8
149.13283	23.5
151.02557	1.4
151.11195	7.0
155.08574	4.6
156.09291	3.0
157.10146	22.9
158.10905	1.7
159.11699	38.4
161.09656	3.4
161.13274	29.0
163.11226	3.8
163.14822	8.8
165.12744	3.5
167.08588	1.7
167.10738	1.2
168.99001	1.2
169.10153	7.6
171.11700	16.5
173.09637	3.0
173.13289	23.3
175.11227	4.4
175.14835	17.4
177.12709	3.2
177.16374	4.7
179.08470	1.5
181.10094	1.4
183.11673	5.3
184.07335	2.9
185.13281	9.7
186.13933	1.6
187.11157	1.7
187.14853	7.8
189.12721	2.6
189.16405	4.1
191.10612	1.8
193.12308	2.1
193.15915	1.7
197.13261	4.8
199.11356	1.4
199.14848	10.9
201.12680	1.9
201.16373	15.8
203.14313	3.1
203.18005	3.2
209.13330	1.7
211.14809	5.2
213.16389	14.7
215.17973	12.4
217.15901	1.7
223.14931	1.5
225.16336	3.0
227.18025	6.9
229.12247	1.8
229.19502	6.1
231.17462	4.2
233.19061	4.7
235.08893	1.4
239.17957	1.8
241.19553	2.8
243.17728	1.4
249.18538	1.8
251.18306	1.3
257.19113	2.4
267.15915	4.0
267.21164	2.3
269.22656	43.4
270.22867	2.0
271.24194	3.0
275.20010	2.2
285.22116	4.5
287.20590	1.7
287.23676	8.6
311.20547	1.5
311.25784	5.4
341.21225	2.5
359.22141	5.0
377.23312	4.5
503.37436	2.8
556.63458	1.5
577.77917	1.3
861.69727	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	910.6254
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	3.0
66.04708	0.9
67.05508	48.1
69.03434	9.9
69.07070	21.2
70.63534	1.8
71.04993	2.1
71.08617	2.5
73.02881	1.3
74.97206	0.8
77.03897	0.9
79.05019	0.9
79.05495	33.6
81.03422	15.2
81.07059	100.0
82.07425	0.9
83.04965	2.6
83.08627	8.9
85.02900	5.8
91.05485	28.2
91.44731	0.7
93.07047	60.7
95.04977	7.5
95.08611	78.2
97.02899	7.2
97.06528	2.3
97.10158	6.2
99.04445	1.9
99.08073	1.5
103.05455	1.6
105.04556	1.6
105.07036	51.0
106.19527	0.9
107.04976	2.2
107.08598	66.6
108.08923	0.9
109.02898	4.6
109.06500	2.3
109.10162	51.9
111.04465	1.9
111.08051	1.9
111.11700	2.9
113.09694	0.7
115.05462	0.9
117.07010	8.4
119.08583	51.7
121.06471	1.8
121.10148	45.6
122.10471	0.9
123.08066	1.8
123.11713	18.2
125.09619	1.8
127.03890	4.1
128.06171	1.2
129.06999	3.2
130.07765	1.4
131.08568	14.0
133.10130	27.4
135.11694	24.0
136.97981	0.7
137.09641	1.2
137.13229	3.9
141.06961	1.5
142.07703	0.9
143.08554	3.1
144.09386	1.2
145.06532	0.8
145.10129	20.1
147.11699	26.1
149.13258	27.2
151.11224	0.9
151.14792	2.5
157.10155	3.4
159.11703	25.7
161.13251	24.8
163.11191	1.2
163.14835	20.8
165.12810	1.2
169.10089	1.3
171.11732	2.5
173.13269	12.7
175.11069	1.0
175.14835	18.7
177.16388	12.1
179.14310	1.6
185.09653	0.9
185.13266	3.2
187.14790	7.9
189.16393	10.7
191.17981	2.6
195.11725	1.2
197.13220	1.4
199.14830	1.6
201.16400	11.1
203.17935	6.3
211.14729	1.0
213.16412	2.2
215.17967	21.7
217.19559	1.0
229.19476	3.3
231.21091	1.6
243.21085	1.7
245.22696	2.4
255.21007	1.0
261.22174	1.0
263.23666	2.3
271.24213	37.1
272.24634	1.1
283.24161	0.9
287.23581	1.0
289.25275	1.9
291.23257	0.8
303.23312	1.6
305.24707	0.9
317.24817	1.7
329.24692	1.5
343.26300	1.7
345.24020	1.0
347.25476	1.0
353.24750	2.6
361.27133	1.1
371.25687	6.0
379.26169	1.0
389.26843	7.0
407.27887	4.7
425.29044	0.9
777.77582	1.0
846.94135	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.6254
Annotation	Unknow
Peak:m/z	Relative Intensity
63.30636	1.4
65.03938	4.0
67.05508	50.3
67.37104	1.3
69.03428	13.2
69.07068	23.6
71.03564	2.5
71.05006	2.0
71.08619	2.0
79.05495	37.9
81.03420	13.7
81.07060	100.0
83.04984	3.6
83.08630	13.1
85.02908	22.5
91.05486	34.2
93.07047	73.8
93.55023	1.2
95.04979	6.8
95.08611	85.8
97.02901	11.3
97.06540	2.4
97.10159	6.8
99.04465	2.8
103.05468	2.0
105.06310	3.2
105.07034	65.5
107.04910	1.6
107.08597	78.2
109.02866	3.9
109.06532	2.8
109.10161	57.0
111.04416	2.2
111.08077	1.8
111.11718	2.8
112.91076	1.3
117.06997	9.5
119.06084	2.0
119.08586	65.5
120.08884	1.4
121.06500	2.3
121.10149	59.6
123.04459	1.2
123.08070	2.2
123.11705	25.3
127.03912	3.8
129.07033	2.2
131.08575	17.1
133.10146	27.5
135.11697	26.5
137.13263	4.8
139.11215	1.9
141.06912	1.4
143.08583	3.6
144.09337	1.6
145.04996	2.7
145.10132	21.1
147.11702	31.1
149.12056	1.7
149.13271	29.7
151.11150	1.9
157.10138	4.0
158.10895	1.8
159.08009	1.9
159.11697	28.6
161.13269	34.3
163.11171	2.1
163.14835	22.6
165.12823	2.1
165.16393	1.4
171.11662	2.2
173.13304	12.2
175.14816	19.7
177.16405	11.6
179.14317	1.8
185.13261	2.4
187.14803	10.1
189.16408	13.6
191.14268	1.8
191.17979	2.0
191.95294	1.6
195.11934	1.3
199.14888	1.6
201.16397	18.5
203.17961	9.6
207.13907	1.6
215.17949	25.3
229.19533	3.7
231.21049	3.5
243.21153	2.1
259.16785	1.5
261.21802	1.8
263.23703	1.8
271.24219	35.4
272.24631	2.0
287.23883	1.8
289.18039	1.8
289.25278	6.6
291.23108	2.2
293.24728	3.7
303.23001	2.0
305.24753	2.0
317.24603	3.6
321.24286	1.8
329.24698	2.2
343.26227	2.9
347.25848	2.7
353.24719	5.0
361.27518	1.6
371.25772	13.4
389.26910	17.3
407.27939	14.8
425.29114	2.9
427.02289	1.6
471.08969	1.4
684.97260	1.4
717.08258	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	910.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
66.49573	0.3
70.06601	2.8
71.49863	0.4
71.50227	0.4
72.08150	1.4
74.06094	0.4
79.05486	0.6
84.04509	1.0
84.08146	5.1
85.08468	0.3
86.09723	1.8
89.02432	0.3
91.05488	1.0
95.04961	1.1
103.05489	0.7
107.04961	85.2
108.05299	1.0
110.07159	0.5
115.05488	0.4
117.07042	1.9
119.04992	0.5
120.08112	1.2
121.06506	1.6
127.08624	0.4
129.10269	1.3
131.04941	0.9
133.06491	0.5
136.05119	0.7
136.07603	1.4
143.04997	0.3
144.05692	0.6
145.06491	10.2
146.07242	0.6
150.06796	0.4
151.07553	8.9
151.75128	0.3
152.24886	0.3
155.06052	0.8
158.07286	3.7
159.04393	0.7
159.08005	0.6
161.05923	0.7
165.09132	3.5
174.06772	6.9
175.07603	0.7
176.08330	1.7
177.09108	3.1
182.08122	0.4
189.09123	17.4
190.09727	0.9
192.10201	0.9
209.09538	0.5
221.09595	0.6
237.09128	2.6
251.10724	0.9
252.11488	10.8
253.08647	1.0
254.09367	0.4
268.10953	7.6
283.13303	40.6
283.59335	0.4
284.13681	1.1
287.05475	5.4
300.15961	100.0
301.16324	2.9
365.38828	0.3
445.95584	0.3
630.23114	0.4
911.18109	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.6093
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	3.7
67.05508	53.3
69.03429	10.8
69.07072	24.1
70.80674	2.2
70.81045	1.8
71.01376	1.2
71.05000	2.2
73.02955	1.3
73.84743	1.0
77.03957	1.2
79.05498	42.0
81.03426	10.9
81.07063	100.0
82.07399	1.9
83.04999	4.7
83.08642	9.4
85.02914	19.8
91.05488	39.9
93.07049	74.5
95.04974	5.4
95.08614	81.9
97.02899	10.6
97.06535	2.7
97.10165	5.8
99.04457	2.1
99.08053	1.1
103.03942	1.3
103.05470	1.6
105.04517	2.3
105.07040	65.1
107.04963	2.3
107.08600	81.5
108.08961	1.3
109.02882	3.3
109.06531	3.2
109.10164	61.2
111.04458	2.4
111.08070	1.5
111.11742	3.1
114.57782	0.9
115.03913	1.3
115.05450	1.3
117.07019	13.4
119.08589	68.8
121.06521	1.4
121.10151	57.6
123.08074	3.4
123.11720	22.0
125.09672	1.4
127.03921	3.7
128.06209	1.0
129.07004	5.0
130.07794	2.5
131.08580	24.0
133.06482	1.6
133.10143	33.9
135.08134	1.8
135.11703	32.7
137.09555	1.5
137.13274	4.9
139.11188	2.5
140.42168	0.9
141.07031	2.2
143.08583	5.7
144.09380	2.4
145.04984	3.7
145.10130	24.2
147.08032	1.7
147.11700	32.9
149.09645	1.5
149.13274	31.7
151.11192	1.4
153.08997	1.3
155.08534	3.7
157.10143	6.1
159.11705	35.3
161.13274	29.8
163.11238	1.8
163.14833	25.8
165.12727	1.7
169.10162	2.0
171.08052	1.3
171.11694	5.6
173.09537	1.5
173.13268	19.0
175.07454	1.3
175.14845	20.4
177.16394	11.0
181.10161	1.4
183.07973	1.3
183.11697	1.7
185.13272	4.5
187.14862	10.6
189.16408	12.4
191.17947	2.4
195.11690	1.6
197.13309	1.5
199.14871	3.7
201.12700	1.5
201.16383	15.0
203.17952	7.2
209.13286	1.3
213.16429	2.3
215.17953	26.2
216.18466	1.1
229.19508	3.8
231.21129	2.5
243.21100	3.4
259.20554	1.9
261.22153	2.1
271.24231	33.1
273.22128	1.9
277.14349	1.1
277.21710	2.0
285.22256	2.0
289.21774	1.8
289.25305	3.9
301.21500	1.9
303.23181	6.1
315.23325	2.1
327.23044	1.9
341.24850	2.0
351.23196	5.1
369.24365	10.7
387.25336	12.0
405.26355	13.7
423.27292	3.4
458.96518	1.1
818.35767	1.2
856.68280	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	908.6089
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	4.2
67.05510	49.0
69.03439	7.9
69.07068	20.9
69.51472	8.8
70.73743	1.3
71.04996	1.7
73.02912	1.1
79.05494	35.8
81.03423	14.8
81.07059	100.0
83.04984	3.7
83.08621	9.3
85.02905	7.9
91.05486	38.0
93.07047	70.4
95.04962	5.9
95.08611	77.7
97.02873	7.2
97.06532	2.0
97.10181	5.1
99.04442	2.5
103.05499	1.9
105.04514	1.7
105.07037	59.6
107.04958	2.2
107.08599	72.1
109.02937	2.5
109.06527	5.2
109.10162	66.9
110.80547	1.3
111.04463	3.0
111.08098	1.7
111.11732	1.6
117.07019	12.4
119.08586	65.2
121.06505	2.5
121.10151	57.6
123.08053	1.8
123.11716	17.8
127.03925	3.6
129.07004	5.4
131.08566	21.8
133.10129	31.3
135.11699	27.9
137.13252	5.3
141.07022	1.8
143.08545	6.5
144.09328	2.1
145.04997	1.5
145.10150	23.6
147.11694	26.9
149.09607	1.4
149.13271	35.2
155.08563	2.2
157.10150	5.7
159.08041	1.7
159.11694	29.4
161.13263	30.2
163.14827	22.3
169.10194	2.9
171.11687	5.3
173.13277	16.9
175.14821	18.5
177.16414	13.7
183.11760	2.0
185.13260	2.1
187.14783	9.8
189.16388	13.7
191.17957	3.1
197.13332	2.2
199.14810	2.1
201.16405	16.0
203.17976	9.8
211.14876	1.9
213.16411	1.9
215.17941	24.3
229.19534	3.4
231.21121	1.6
243.21124	4.3
252.42625	1.3
261.22226	4.3
269.22467	1.6
271.21323	1.4
271.24216	42.1
273.22299	1.3
275.23718	1.3
285.22113	1.9
289.25015	2.4
303.23260	3.0
315.23160	2.7
327.23306	1.8
341.24503	2.0
351.23145	2.6
369.24301	5.5
387.25256	5.0
405.26370	4.7
406.33524	1.3
408.73029	1.4
600.33038	1.3
627.11224	1.4
672.92053	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	902.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03909	1.5
67.05512	26.1
69.03395	1.5
69.07077	8.4
71.04952	1.8
71.08608	0.9
71.50738	0.9
73.02882	1.5
79.05498	22.5
81.03439	3.0
81.07063	28.9
83.04954	2.0
83.08624	7.2
85.02905	2.1
85.06512	1.2
91.03932	1.2
91.05489	10.4
93.07052	31.7
95.04989	4.0
95.08615	33.1
97.02921	3.1
97.06529	2.1
97.10143	1.6
99.04433	1.8
99.26305	0.5
103.05412	0.6
105.04490	0.8
105.07037	9.6
107.04974	3.7
107.08603	21.9
109.06496	1.4
109.09479	0.6
109.10164	8.4
111.04449	0.6
111.08054	1.2
117.07028	6.1
119.07827	0.5
119.08595	9.5
121.06525	2.7
121.09357	0.9
121.10155	13.7
123.08051	0.6
123.11688	2.0
125.05950	1.6
127.03880	0.7
130.07777	1.0
131.08609	3.2
133.10168	4.0
133.11142	0.7
135.08051	1.3
135.11702	30.8
136.05180	0.8
136.06206	15.7
136.12077	0.5
137.13161	0.6
139.07472	0.7
143.08530	0.7
145.04974	0.5
145.10133	18.0
147.11696	2.3
149.13223	1.6
153.12680	0.5
159.11713	1.3
160.09668	0.4
161.13205	1.7
163.11194	33.7
164.11580	0.7
173.09499	0.5
173.13229	1.5
181.12225	6.1
184.07317	0.9
187.14796	0.8
191.10701	0.6
193.12256	0.6
209.11681	1.1
227.12799	44.0
228.13184	0.6
243.21123	2.4
261.22165	6.7
267.15924	1.6
268.16382	0.5
283.15424	52.9
284.15851	0.6
300.27707	0.5
300.48538	0.4
313.27509	1.3
314.27902	0.7
317.24780	2.1
335.25824	100.0
336.26135	2.4
507.39240	0.8
543.36853	96.3
544.37183	4.9
561.37799	0.6
646.23822	0.6
658.44714	0.9
676.46375	4.4
763.95453	0.6
902.53076	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	902.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03909	1.5
67.05512	26.1
69.03395	1.5
69.07077	8.4
71.04952	1.8
71.08608	0.9
71.50738	0.9
73.02882	1.5
79.05498	22.5
81.03439	3.0
81.07063	28.9
83.04954	2.0
83.08624	7.2
85.02905	2.1
85.06512	1.2
91.03932	1.2
91.05489	10.4
93.07052	31.7
95.04989	4.0
95.08615	33.1
97.02921	3.1
97.06529	2.1
97.10143	1.6
99.04433	1.8
99.26305	0.5
103.05412	0.6
105.04490	0.8
105.07037	9.6
107.04974	3.7
107.08603	21.9
109.06496	1.4
109.09479	0.6
109.10164	8.4
111.04449	0.6
111.08054	1.2
117.07028	6.1
119.07827	0.5
119.08595	9.5
121.06525	2.7
121.09357	0.9
121.10155	13.7
123.08051	0.6
123.11688	2.0
125.05950	1.6
127.03880	0.7
130.07777	1.0
131.08609	3.2
133.10168	4.0
133.11142	0.7
135.08051	1.3
135.11702	30.8
136.05180	0.8
136.06206	15.7
136.12077	0.5
137.13161	0.6
139.07472	0.7
143.08530	0.7
145.04974	0.5
145.10133	18.0
147.11696	2.3
149.13223	1.6
153.12680	0.5
159.11713	1.3
160.09668	0.4
161.13205	1.7
163.11194	33.7
164.11580	0.7
173.09499	0.5
173.13229	1.5
181.12225	6.1
184.07317	0.9
187.14796	0.8
191.10701	0.6
193.12256	0.6
209.11681	1.1
227.12799	44.0
228.13184	0.6
243.21123	2.4
261.22165	6.7
267.15924	1.6
268.16382	0.5
283.15424	52.9
284.15851	0.6
300.27707	0.5
300.48538	0.4
313.27509	1.3
314.27902	0.7
317.24780	2.1
335.25824	100.0
336.26135	2.4
507.39240	0.8
543.36853	96.3
544.37183	4.9
561.37799	0.6
646.23822	0.6
658.44714	0.9
676.46375	4.4
763.95453	0.6
902.53076	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	897.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
69.04548	3.0
69.14614	0.7
69.91783	3.5
70.02951	5.8
70.06596	78.7
71.06927	0.8
72.04520	6.2
72.08161	39.0
75.65827	0.6
82.06605	1.2
83.06100	1.3
84.04506	23.3
84.08142	4.6
85.04018	3.1
85.90311	0.6
86.09683	0.8
87.05603	1.1
96.08120	1.0
97.04010	1.3
97.07652	2.6
99.05585	9.8
99.09224	2.2
100.07648	0.7
101.07133	1.6
106.13188	0.7
106.61180	0.6
107.84857	0.6
110.06061	1.5
111.05585	8.6
111.09201	1.0
115.05459	4.0
117.05825	3.4
117.06581	1.4
118.06569	5.4
125.07082	0.8
126.05517	1.9
127.05027	4.0
127.08673	4.4
129.06561	5.2
129.10284	1.1
130.06529	30.8
132.08102	27.3
137.03502	1.9
139.05016	2.0
139.08665	5.4
141.10266	1.6
142.06532	10.0
143.07303	2.1
144.08095	28.0
145.06088	3.0
145.07607	2.3
146.06015	21.6
151.08684	2.1
151.51797	0.7
153.10226	1.5
154.06531	8.8
155.04507	5.0
155.08224	1.2
156.06874	1.2
156.08070	10.2
157.06093	3.1
157.07628	2.4
157.09747	4.0
158.06041	5.0
158.08455	4.5
158.09695	1.2
159.09187	100.0
160.07584	3.5
160.09590	1.9
163.08662	3.7
167.08157	1.9
168.08099	3.6
169.07619	83.6
169.09634	3.6
170.06024	67.5
170.08340	2.7
171.06360	1.0
171.09178	27.0
171.11292	1.2
172.07610	1.6
173.07118	1.3
173.10760	1.8
179.08073	0.8
180.04486	0.7
180.11351	1.1
181.07634	5.5
181.09738	25.2
182.06047	13.9
182.08330	1.1
182.09700	0.9
183.04031	1.4
183.09190	12.8
184.07481	2.4
184.10851	2.8
185.07123	5.2
185.09117	1.1
185.10693	1.2
186.10252	1.7
187.08685	18.2
188.07077	32.4
189.07549	0.7
191.08180	3.7
193.07600	1.1
195.07622	2.8
195.09225	4.0
196.07486	1.1
197.07114	17.6
197.09059	1.5
197.10910	1.2
198.05547	5.4
198.07150	0.8
198.07993	0.9
198.10144	1.2
199.08701	16.4
199.10701	2.0
199.12376	0.9
200.07071	2.0
203.08168	1.4
204.11331	23.6
205.09749	9.8
206.09193	2.6
208.08896	1.4
208.10812	16.0
209.07124	5.0
209.09235	14.4
209.11072	1.4
210.07858	0.8
210.10249	1.3
211.08699	13.1
211.12126	0.8
212.10320	1.1
213.06686	4.3
213.10217	2.5
214.09772	9.7
215.08191	21.7
215.09972	0.8
216.11339	2.5
217.09775	3.9
221.07182	1.3
221.10738	1.2
223.08833	3.3
223.12332	2.2
224.08183	0.9
225.06726	5.2
225.10181	0.9
225.13881	2.9
226.09763	6.4
226.11894	20.9
227.08247	3.8
227.12022	0.9
228.06648	1.4
229.09834	3.9
232.10834	5.1
236.08282	1.1
236.10382	6.5
237.06543	1.7
237.13828	0.8
238.09766	2.4
239.08138	2.5
239.11804	1.0
240.11357	1.8
241.09753	1.9
241.13391	3.8
242.09288	3.0
243.07689	2.0
244.12965	2.6
245.09335	2.4
246.12405	0.8
250.09747	2.7
250.13512	1.0
251.08170	3.4
251.11821	2.6
252.14935	2.5
253.13322	8.0
254.11285	8.0
255.07664	2.6
256.10760	1.6
257.09152	0.8
258.12442	0.9
260.10416	1.3
261.09082	0.8
264.09879	2.8
266.09250	2.0
266.12753	1.0
267.07635	0.9
267.11343	1.0
268.10989	2.3
268.14514	5.9
269.09039	1.0
269.13046	4.0
270.15961	2.2
272.12595	1.1
274.11844	1.1
277.10880	0.7
278.09225	1.3
279.11435	1.2
280.11444	0.9
280.14420	5.3
281.12784	13.9
282.11533	6.1
282.15445	0.7
283.12152	1.1
284.10403	1.3
284.14008	2.9
286.11856	1.5
292.12863	6.3
294.12186	0.9
295.12299	1.9
296.10675	1.1
296.13968	9.9
297.12460	0.8
298.15402	4.2
299.13556	3.5
305.10388	1.3
308.14175	3.3
310.11905	4.8
310.15259	1.1
311.11661	0.9
312.13528	3.5
313.13251	1.1
313.16492	5.0
314.11774	1.1
314.14941	5.4
319.14038	1.8
320.14023	1.0
322.15424	0.9
323.11380	2.7
324.13428	8.3
325.16623	3.9
326.14984	6.6
331.14001	2.5
335.15039	2.6
336.13339	3.4
337.16776	1.3
338.14902	2.1
340.13031	4.3
341.12433	2.7
341.16251	2.9
342.14545	3.0
349.16293	2.2
351.18036	0.9
353.16141	11.1
354.14572	6.4
359.13840	3.2
361.16785	0.9
365.15961	1.2
367.17715	1.5
369.11539	1.3
369.15683	1.1
371.17026	1.3
377.16153	2.2
379.17581	1.6
381.15646	3.5
382.13928	10.9
383.16492	0.9
385.18411	0.9
394.18811	2.8
395.17175	22.4
398.18240	3.7
399.16595	11.1
403.19812	0.8
405.15646	4.6
407.17072	1.7
412.19800	9.0
413.18216	1.9
414.21356	2.2
422.18243	25.5
423.17056	1.9
424.19775	13.1
425.18774	1.9
430.21133	1.2
433.14929	2.2
439.20935	0.8
440.19333	19.4
441.17722	1.4
442.20834	22.4
448.21817	3.2
450.17770	10.2
451.16473	1.9
454.30392	0.7
457.22113	1.6
458.20438	9.3
467.20386	3.6
468.18835	64.0
469.18362	2.0
475.04535	0.8
475.22894	2.5
485.21503	5.8
486.19873	74.0
487.19952	2.5
503.22919	1.1
504.22128	4.3
521.24939	2.8
532.22070	2.0
549.24585	2.9
563.24030	2.6
581.24744	1.0
589.24036	2.5
599.26044	2.3
606.27063	3.4
609.24945	2.0
617.27057	2.4
626.27240	1.6
627.25592	3.0
643.29358	1.4
644.28229	1.5
648.27692	1.0
654.26611	1.2
665.30743	1.1
671.29126	4.0
672.27802	1.0
675.28760	1.4
676.27643	0.9
689.30353	10.2
690.30054	1.3
693.29523	2.7
770.76196	0.8
829.56488	0.8
833.36804	1.5
834.34760	0.8
851.38367	1.6
862.35742	0.8
879.37994	4.0
880.36792	1.2
897.37274	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03920	3.0
65.96057	1.1
67.05137	1.2
67.05508	32.3
69.03434	37.2
69.07076	16.8
70.06574	4.6
71.05001	5.8
71.08630	1.2
71.50150	2.4
72.08109	1.3
73.02906	4.5
76.39789	1.1
79.05500	25.8
81.03426	17.5
81.07063	86.8
83.01339	1.2
83.04974	1.9
83.08627	7.5
84.08127	1.2
85.02913	100.0
86.09705	3.3
87.00829	9.7
87.04459	2.2
91.03953	3.3
91.05485	23.7
93.07050	57.6
95.04982	3.8
95.08617	69.8
97.02901	46.5
97.03531	2.5
97.06499	1.8
97.10150	7.0
97.10695	1.1
99.04466	11.3
103.03971	1.7
103.05501	2.1
105.01883	10.1
105.04585	1.2
105.07042	51.3
107.08602	65.2
109.02896	13.8
109.06550	2.3
109.10166	53.3
111.08123	1.1
111.11717	1.8
115.03926	2.5
117.07045	6.1
119.06109	1.2
119.08593	53.4
121.10158	43.9
123.11721	19.7
125.09635	1.5
127.03931	52.8
130.07771	1.5
131.08594	12.6
133.10152	25.3
135.11714	23.6
137.13301	5.5
143.08453	1.4
145.04968	55.6
145.10117	16.6
147.11700	27.5
149.13269	31.5
151.14822	1.3
156.58456	1.0
157.10139	2.2
158.23900	1.2
159.11697	23.9
161.13266	28.5
163.06023	9.9
163.14824	23.1
173.13275	12.2
175.14828	21.0
177.16403	14.1
187.14856	8.5
189.16420	12.4
191.17976	4.3
201.16403	16.6
203.17978	7.9
213.03894	1.5
213.16495	1.2
215.17973	28.6
217.19510	1.4
229.19493	3.2
231.04987	22.8
231.21149	3.4
240.18774	1.1
243.21184	1.5
249.06075	38.0
256.79431	1.2
269.22638	2.5
271.24234	61.1
272.24530	2.2
289.25259	6.4
308.20850	1.1
323.65677	1.5
357.08038	3.6
391.57312	1.0
411.11319	1.1
415.68973	1.1
433.29608	1.8
460.03262	1.1
505.75369	1.1
599.34198	1.2
675.33990	1.2
873.93652	1.2
896.45007	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	896.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	3.9
67.05505	40.3
68.99800	5.4
69.03430	38.3
69.06734	1.4
69.07069	16.1
70.06599	1.8
70.72152	2.5
71.05003	5.5
73.02924	7.7
74.06068	1.3
77.03923	1.2
79.05496	32.5
81.02930	1.3
81.03423	40.6
81.07059	99.1
82.07358	1.1
83.01346	1.6
83.04954	4.2
83.08616	8.8
85.02910	74.4
86.09704	1.3
87.00833	19.9
87.04474	2.3
89.45991	1.2
90.65733	1.1
91.03938	1.3
91.05482	35.3
93.07047	66.6
95.04961	6.9
95.08610	78.6
97.02897	48.2
97.10149	4.4
99.04457	20.5
101.02390	1.6
103.05434	1.6
105.01200	1.6
105.01868	27.3
105.04520	2.4
105.07036	64.4
107.04932	1.1
107.08598	76.9
109.02884	63.2
109.06510	3.4
109.10162	63.5
111.04438	5.2
111.11669	1.3
115.03905	2.9
115.05427	1.5
117.01833	2.4
117.07024	7.6
119.06122	1.2
119.08584	60.7
120.06522	1.4
121.02810	1.5
121.06506	1.2
121.10151	57.8
122.10460	1.5
123.04358	1.3
123.08051	1.4
123.10957	1.5
123.11731	19.9
125.02394	2.8
127.03923	100.0
128.06151	1.4
129.01859	7.4
129.05460	2.7
129.06995	2.8
130.07857	1.7
131.08574	11.7
133.10133	29.7
135.11694	31.5
135.12711	1.7
137.13243	3.9
138.47722	1.1
141.01848	8.0
143.08572	2.5
144.09299	1.4
145.04974	28.8
145.10120	24.0
147.02875	7.0
147.11697	32.8
149.13266	36.4
151.03885	2.3
157.10135	2.3
159.02887	9.2
159.11705	34.3
159.13039	1.8
161.13257	34.1
163.14821	26.7
169.04988	1.7
171.11655	1.8
173.13245	14.9
175.03896	1.3
175.14822	22.8
177.16397	18.6
181.05026	1.2
183.11667	1.7
185.13318	2.1
187.14835	10.7
189.03961	2.6
189.05492	1.5
189.14745	1.6
189.16385	12.7
191.17987	2.7
193.04932	2.2
195.02821	1.4
199.14851	1.5
201.16408	18.6
203.17995	11.6
213.03941	13.0
213.16441	1.5
215.17952	36.5
217.19568	1.1
229.19530	4.9
231.05025	25.1
231.21115	2.8
235.05917	2.4
243.21083	2.0
249.06065	13.3
253.07060	2.2
257.22696	2.1
271.08176	1.4
271.24213	69.5
272.24512	2.0
273.06027	6.3
285.05865	1.3
285.22122	1.4
289.25214	3.7
291.07162	5.7
303.07098	2.5
321.05988	1.8
339.07135	7.3
357.08221	23.6
375.04788	1.9
375.09274	29.4
393.10083	8.3
629.10791	1.4
737.86713	1.2
837.57324	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	896.4496
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03948	2.9
67.05508	32.5
68.99800	1.3
69.03435	28.4
69.07072	18.3
70.06593	4.1
71.04996	5.3
72.08167	2.0
73.02925	4.4
75.91914	1.0
79.05499	25.0
81.02942	1.0
81.03426	22.2
81.07063	81.2
82.07404	1.2
83.04978	2.4
83.08618	8.4
85.02910	100.0
86.09696	2.0
87.00836	25.7
87.04494	2.0
91.03969	3.5
91.05482	25.3
93.07050	54.4
95.04974	4.8
95.08613	68.1
97.02899	39.6
97.03530	1.9
97.06564	1.6
97.10181	4.5
99.04468	11.4
103.03937	1.8
103.05511	1.8
105.01872	40.3
105.04529	1.9
105.06306	1.4
105.07039	53.5
107.08601	66.6
109.02884	27.4
109.06499	1.8
109.10164	61.4
111.11753	2.2
115.03919	1.9
117.01847	1.4
117.07050	6.1
119.06143	1.4
119.08588	57.7
121.10152	54.6
123.11709	20.7
127.03923	62.3
129.01849	2.5
130.07835	1.2
131.08595	12.5
133.10133	27.1
135.11693	23.5
137.13260	4.1
143.08559	1.5
145.04970	40.6
145.10130	21.4
147.02892	1.5
147.11699	27.0
149.13272	32.3
151.14806	1.6
157.10196	1.6
158.10884	1.3
159.02901	8.5
159.11697	30.3
159.69469	1.3
161.13269	32.8
163.06039	7.7
163.14841	27.0
171.11732	1.8
173.13252	12.1
175.14838	21.0
177.16409	16.8
185.13275	1.8
187.14799	11.3
189.03961	1.2
189.16399	15.7
191.17987	4.3
201.16386	17.9
203.18028	7.8
213.03967	5.3
213.16417	2.1
215.15871	1.8
215.17972	34.9
229.19504	5.1
231.05017	25.9
231.07260	1.8
231.21086	5.2
236.79195	1.1
243.21213	1.5
248.65071	0.9
249.06085	18.7
253.07069	1.4
257.22766	1.1
271.24225	70.1
272.24487	2.4
289.25259	7.8
296.39691	1.1
325.11432	2.5
357.08212	4.7
375.09070	3.2
393.10211	4.8
648.33307	1.1
704.48383	1.3
896.46234	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	894.6006
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05516	11.1
69.03436	4.5
69.06688	1.4
69.07074	30.0
69.14606	0.7
70.06604	5.9
70.23164	2.8
71.04990	1.8
71.08616	3.5
72.08156	2.5
73.02924	1.0
73.06564	6.4
79.05491	4.1
81.03423	3.5
81.07068	14.3
83.08626	19.1
84.04507	1.1
84.08163	1.4
85.02917	9.7
85.10190	1.6
86.09724	3.2
87.04483	9.9
89.06041	100.0
91.05494	2.6
93.07053	5.3
95.04984	0.9
95.08619	13.5
97.02906	4.8
97.10175	15.0
98.01679	0.7
98.02364	0.7
98.20994	1.3
99.04451	0.9
101.02373	1.3
105.07066	3.8
106.82386	0.9
107.07097	3.2
107.08594	4.2
109.02893	2.8
109.10165	10.0
111.11739	8.7
117.07021	0.8
117.09132	7.4
119.03442	3.2
119.08601	3.0
120.08121	1.0
121.10137	3.8
123.11739	3.2
125.13287	3.0
127.03939	3.4
130.08652	1.1
131.07077	3.2
131.08574	1.2
133.08618	59.1
133.10228	1.8
135.10118	0.9
135.11690	0.9
136.06235	2.3
136.07578	1.3
137.13297	1.6
145.10155	1.2
147.11630	1.4
148.73528	0.9
149.09618	1.1
149.13321	2.0
151.09682	1.0
161.11784	2.4
161.13330	1.0
163.03952	1.5
163.14836	1.0
175.09706	2.4
177.11255	27.8
187.03865	1.6
195.12282	1.0
213.05339	0.9
215.18065	0.9
219.12419	0.9
221.13849	6.0
223.15366	1.0
239.14940	2.3
246.19873	0.8
265.16592	2.0
271.24197	1.5
283.17511	3.7
283.26376	9.7
284.26779	0.8
309.19250	1.6
327.20197	2.8
327.28912	7.7
329.80484	0.8
345.30368	0.9
353.21750	1.4
355.15396	1.1
371.22787	1.0
389.32635	1.1
397.24539	1.2
459.28189	1.2
477.37805	0.9
503.30579	3.7
552.27380	2.0
613.47260	0.7
653.48486	1.3
697.51080	16.3
698.51648	0.9
704.62952	0.8
715.51416	1.7
894.55627	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	894.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
64.00932	1.0
65.03939	2.4
67.05508	18.3
69.03431	13.4
69.07069	7.9
70.02953	1.7
70.06602	12.7
70.23315	3.0
71.01350	1.0
71.04978	1.7
72.08147	2.7
72.38942	0.9
73.02930	6.2
74.00657	3.0
74.06146	1.0
76.02235	9.8
79.05498	19.5
80.05000	2.1
81.02985	1.9
81.03423	20.4
81.07059	48.8
83.04968	1.4
83.08626	2.6
84.04497	7.1
84.08132	2.3
85.01126	2.9
85.02911	22.4
86.00648	6.5
86.09714	3.6
86.99068	5.1
88.02184	1.3
88.03970	1.5
91.05493	17.5
93.07048	33.0
93.07639	1.6
95.04962	2.8
95.08613	31.3
96.04483	2.3
97.02892	13.4
97.10145	2.3
98.06074	2.0
99.00827	13.4
99.04452	6.0
100.02204	24.4
100.40208	1.1
101.00588	1.2
102.98518	10.2
103.03964	6.6
103.05441	1.5
105.00096	8.1
105.04516	1.5
105.07037	28.9
107.08595	36.0
108.04472	6.1
109.02878	11.9
109.10166	22.7
110.00620	2.2
110.99046	1.6
111.07375	1.1
112.02200	3.6
112.08730	1.1
113.00565	2.6
114.00113	3.0
117.01892	1.1
117.07045	3.7
118.03234	2.8
119.06182	1.2
119.08588	27.0
120.08115	1.5
120.99577	1.6
121.10152	26.6
122.02728	17.9
122.10513	1.3
123.11697	7.4
124.02193	1.6
124.03970	1.7
126.05525	5.4
127.03928	25.3
128.01640	4.9
128.96448	2.6
131.08560	6.4
132.01160	18.2
132.99489	1.2
133.10132	14.6
134.02722	1.8
135.11696	11.4
137.13313	1.2
138.00156	5.7
138.03749	5.1
140.01646	7.4
142.03308	1.5
142.99792	5.8
144.06544	1.5
145.04932	1.8
145.10146	9.8
146.02705	16.2
146.97481	2.0
147.11676	13.3
148.99045	1.1
149.13257	9.5
150.05533	1.5
156.01170	6.5
156.04837	1.2
159.11705	10.7
160.00641	2.9
161.13260	10.8
163.00577	2.5
163.14799	8.2
164.03772	13.4
165.99625	2.8
166.03247	10.4
169.13416	1.3
170.02705	3.1
172.00589	1.4
173.13321	5.2
174.02228	9.1
174.97012	2.7
175.14839	7.3
177.16379	5.9
181.99106	1.3
184.00653	14.2
184.04288	5.2
186.02242	1.2
187.14865	4.2
188.03793	4.3
189.16446	4.4
191.00111	1.8
191.17941	1.5
192.03249	1.5
192.97955	1.4
197.13043	1.1
198.02293	1.7
200.00099	8.9
200.03809	1.9
201.03926	1.3
201.16397	5.6
202.01723	17.2
203.00227	1.3
203.17993	4.9
212.03754	18.3
215.17958	12.5
216.03302	1.7
218.01157	5.2
220.02783	2.1
221.01208	1.7
227.99640	11.2
229.19576	1.5
230.04839	5.1
242.03554	1.2
243.05038	2.4
244.02788	3.2
246.00684	15.5
261.05975	2.0
264.01639	9.6
270.00699	2.2
271.24200	11.9
280.04956	2.6
282.02692	1.3
288.01791	2.8
300.05447	2.8
306.02676	3.4
310.03867	1.8
324.03818	13.0
328.04791	2.4
344.04266	1.3
346.06000	7.7
354.02795	3.1
364.06918	2.9
372.03815	15.1
378.56870	1.1
382.07962	9.2
390.04898	45.5
391.05450	1.7
396.19736	1.1
408.05963	28.4
426.07028	100.0
427.07288	2.7
444.08081	28.5
483.10660	1.3
714.30798	1.3
894.42133	1.8
894.66888	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	892.657
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	0.9
69.07069	4.2
69.91130	1.7
69.91540	1.1
70.06587	1.9
71.05012	0.7
71.08635	25.8
73.02915	2.0
73.06564	10.2
79.05490	1.1
81.07059	2.0
83.08617	3.8
85.10190	17.0
87.04474	16.4
87.04984	1.1
89.06036	100.0
91.05483	0.8
91.07623	1.3
93.07025	1.2
95.08616	1.3
97.10190	4.6
99.11724	2.1
107.07095	1.6
107.08624	0.8
109.10161	1.0
111.11706	3.0
113.06000	1.0
113.13308	2.0
113.35505	0.6
115.07590	0.8
116.07129	1.6
117.09145	10.0
125.13293	1.3
127.14853	1.4
130.08658	2.7
131.07043	3.4
133.08615	47.2
135.10190	1.1
135.11705	0.6
139.14842	1.3
141.16336	1.0
159.10173	0.9
161.11725	3.0
175.09747	2.9
177.11244	21.6
197.22691	2.3
219.12373	0.7
221.13805	3.7
239.14787	0.8
241.25330	2.1
263.15045	0.6
265.16675	1.0
283.17514	1.5
285.27927	4.7
309.19135	0.7
327.20212	0.8
329.30582	2.1
566.03668	0.7
600.32001	0.8
675.33893	0.6
705.30847	0.7
875.62299	1.3
892.65253	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	891.5805
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06583	1.1
71.50690	1.4
81.07054	1.6
109.10199	0.9
117.09090	0.9
117.16264	1.1
137.84457	0.9
149.28067	0.8
234.30457	0.9
242.04419	0.9
439.26645	8.1
441.28247	4.4
473.28958	6.5
475.30307	31.1
664.19830	1.2
767.97253	1.0
891.58069	100.0
892.57526	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	892.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	3.9
67.05507	62.2
69.03411	4.3
69.07072	11.9
70.72254	2.3
70.72628	2.6
71.04993	5.7
73.02937	5.8
79.05496	74.4
81.03415	8.7
81.07057	57.4
83.04985	18.2
83.08614	6.4
85.02436	1.6
85.02910	19.2
85.06531	6.8
87.04427	1.7
91.03963	13.4
91.05482	43.1
92.00646	1.2
93.07047	70.2
95.01304	2.3
95.04963	14.0
95.08607	32.2
97.02900	10.1
97.06527	10.7
97.10172	2.7
98.13960	1.0
99.04436	2.7
99.08128	2.8
103.05496	1.5
104.14268	0.9
105.04529	1.3
105.07038	22.9
107.04958	28.6
107.08599	31.5
109.02851	1.3
109.06509	5.0
109.10159	16.2
111.04444	24.6
111.08104	8.1
113.09579	1.0
115.03920	1.4
115.05435	2.0
117.07011	15.5
117.97233	1.2
119.08582	22.5
121.06481	4.5
121.10147	53.7
123.04411	2.1
123.08076	2.8
123.11700	4.9
125.05974	3.3
125.09612	2.1
127.03891	4.5
129.05470	1.8
129.07080	5.2
130.07755	2.2
131.04910	3.0
131.08582	18.7
133.10132	13.7
135.08017	3.3
135.11697	37.9
137.09662	1.5
139.11226	1.4
143.08543	4.3
144.05615	1.6
145.04964	4.4
145.06480	7.7
145.10129	38.5
147.08069	4.0
147.11687	8.6
149.09644	8.0
149.13264	7.1
153.06964	1.1
153.12735	11.9
155.08572	10.1
157.10083	1.8
159.11723	7.5
161.13193	1.3
163.06052	6.8
163.11182	41.4
169.10104	2.3
171.11652	2.6
173.09625	24.1
173.13208	5.5
175.14841	1.2
181.12228	15.7
183.11728	1.9
184.07443	1.4
187.14813	1.6
189.16302	1.4
191.10666	20.0
205.19492	2.1
209.11716	10.4
211.14775	1.5
213.12671	1.3
213.16382	1.6
215.17946	21.8
227.12776	12.5
231.17453	2.0
233.19003	26.6
251.20116	2.3
263.88354	1.1
265.14365	35.0
265.17209	1.8
283.15411	87.2
284.15826	2.7
289.21570	2.2
301.16467	61.3
307.22678	90.7
308.22684	1.4
315.82071	1.1
333.20642	1.4
377.28738	1.4
395.02487	1.1
395.29285	2.1
405.28195	2.0
423.28757	4.2
441.30066	3.4
487.34116	9.0
497.32593	15.4
515.33728	68.6
516.34045	2.3
518.34454	1.2
533.34778	100.0
534.34778	3.2
551.35895	1.5
682.31512	1.3
892.47577	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	891.5808
Annotation	Unknow
Peak:m/z	Relative Intensity
62.70698	0.4
69.84500	0.7
69.84902	1.5
81.07063	0.6
91.05494	0.5
93.07062	0.4
95.08620	0.8
105.07095	0.3
109.10212	0.4
201.03845	0.6
203.05296	1.3
423.27191	0.8
475.30511	0.5
475.59692	0.4
711.51746	4.1
713.53253	20.0
714.53754	1.2
891.58044	100.0
892.58240	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	890.4743
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	2.5
67.05509	36.9
69.03418	3.7
69.07076	7.7
69.77314	0.9
69.92204	2.1
69.92600	2.0
70.06594	7.7
71.01366	1.5
71.04996	2.3
72.08167	2.2
73.02916	3.7
76.38344	0.8
79.05500	39.8
81.03433	4.8
81.06590	1.6
81.07066	37.9
83.04972	2.8
83.08620	10.6
85.02907	15.1
85.06561	3.3
86.09721	6.5
91.03962	9.3
91.05492	28.7
93.07050	45.5
95.04991	6.2
95.08615	22.1
97.02904	9.4
97.06516	2.9
97.10179	2.2
99.00830	12.5
99.04459	2.4
99.08077	2.1
103.05540	1.6
105.04519	1.5
105.07047	19.8
107.04959	3.2
107.08602	20.9
109.02900	8.7
109.06519	3.6
109.10165	14.1
111.04484	0.9
111.08073	4.6
113.09658	1.1
115.03954	2.5
115.08694	1.3
117.07015	5.7
119.08598	13.1
121.06521	5.1
121.10157	18.6
123.04459	2.0
123.08064	2.2
123.11713	3.6
123.38963	0.9
125.09602	1.7
127.03920	5.6
128.06247	1.7
128.66904	1.0
129.05542	1.2
129.06955	1.8
131.08572	9.6
133.06503	2.1
133.10139	35.8
135.08138	1.5
135.11699	18.1
137.06012	2.5
137.09613	2.1
139.07561	2.6
139.11205	1.2
140.06995	1.0
143.08577	4.1
145.04976	3.2
145.10110	8.0
147.11731	5.5
149.09569	1.3
149.13261	6.9
151.11200	9.1
159.11722	6.3
160.09685	1.3
161.09625	15.0
161.13260	2.6
161.81410	0.9
163.06059	4.1
163.11166	1.8
165.09207	2.1
169.09810	2.1
171.08069	3.0
171.11639	1.1
173.13271	5.2
179.10678	8.0
183.14970	1.7
184.07329	1.8
189.09196	5.4
197.11707	2.0
205.19646	2.3
207.10161	2.5
211.14597	1.1
215.18002	22.9
225.11221	10.3
231.17633	1.0
233.19044	26.6
234.19154	1.0
243.12383	1.6
249.18443	1.5
281.13815	3.2
282.17780	1.1
287.20026	1.4
299.14920	100.0
300.15234	1.6
307.22693	86.2
308.22986	2.3
334.24741	1.3
345.71664	1.0
393.27890	1.4
421.27280	3.3
439.28519	5.6
457.29199	2.1
485.32541	3.1
487.34058	1.5
503.33606	2.2
513.32141	9.6
531.33228	57.1
532.33405	3.0
549.34491	2.3
685.09271	1.1
696.41760	1.3
890.51709	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	888.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	2.9
67.05508	14.2
68.05025	3.2
68.99813	0.7
69.03436	8.1
69.07072	4.1
69.84545	1.4
69.84954	2.8
70.06597	11.5
71.04999	3.1
72.08150	2.0
73.02919	1.0
74.06055	0.9
77.03928	1.4
79.05498	17.3
80.05030	1.8
81.03423	15.8
81.07059	37.8
82.06585	1.4
83.04977	2.4
83.08627	1.7
84.04511	5.4
84.08142	2.8
85.02902	8.5
86.06065	1.2
86.09706	2.5
86.87402	0.6
87.00848	1.4
91.05486	19.2
93.07051	38.1
94.06575	9.6
95.04976	20.2
95.08614	20.3
96.03748	0.7
96.04498	4.8
97.02901	7.1
97.06538	2.0
97.10181	1.9
98.06054	3.9
99.04458	2.9
103.05452	1.8
105.04532	1.9
105.07038	33.0
107.04955	1.1
107.08601	26.2
109.02880	6.7
109.06523	3.0
109.10165	12.2
110.06062	4.5
111.04447	2.5
111.08094	1.3
112.03972	30.5
112.07615	6.5
112.08789	1.0
113.04333	0.7
113.06031	1.0
114.05529	13.7
115.05501	1.2
115.08689	0.9
117.07030	5.4
119.08588	38.7
120.08119	1.1
121.06497	3.5
121.10155	28.5
122.06049	9.5
123.04440	18.7
123.08082	2.4
123.11697	3.9
125.06038	0.8
126.05528	1.7
127.03925	2.9
128.06177	1.3
129.07018	2.9
130.07788	1.0
131.08597	8.7
132.06570	0.8
133.06572	0.8
133.10141	14.7
135.08087	4.4
135.11694	10.5
136.07579	1.3
137.09596	1.4
137.13269	0.9
138.05525	0.7
140.07074	63.4
141.05475	3.6
141.07115	1.0
142.07765	1.9
142.08714	1.2
143.08551	4.1
144.09375	1.3
145.04970	1.1
145.10133	14.2
147.08069	1.5
147.11697	11.3
149.09641	4.9
149.13252	6.1
151.11209	1.0
155.08549	1.9
157.10120	6.5
158.08141	50.7
159.08153	0.8
159.11710	12.9
161.09683	2.3
161.13260	7.3
163.11174	1.0
163.14830	4.6
164.07086	1.5
169.10075	4.0
171.11658	4.5
173.09756	1.0
173.13275	7.6
175.11177	1.9
175.14824	4.0
176.09190	73.3
181.10129	0.9
182.08180	0.9
183.11710	2.5
185.13318	2.7
187.11269	0.9
187.14809	5.5
189.09065	0.7
189.12758	1.3
189.16368	5.6
191.14438	0.8
195.11737	0.9
197.13289	2.7
199.14833	2.5
201.12758	1.2
201.16458	2.7
203.14290	1.2
203.17929	1.6
205.04774	0.7
209.13295	1.3
211.14874	3.4
213.12598	0.7
213.16444	1.5
215.14503	0.9
215.17995	1.5
217.15962	1.4
218.10306	2.9
222.30046	0.8
225.16461	1.1
227.18028	2.4
229.16020	1.2
229.19447	1.7
248.09367	1.8
255.21115	1.1
257.22690	3.8
266.10291	4.2
267.21152	3.3
284.11526	0.9
285.22137	6.4
292.14044	1.1
293.13864	1.2
365.24356	0.7
393.24423	2.1
411.25507	3.1
426.60541	0.8
429.26254	4.0
447.27429	4.3
502.50336	0.7
536.28351	0.8
554.29834	5.2
568.32611	1.2
586.34125	1.5
586.55817	0.8
604.34796	10.5
604.43604	1.1
622.35876	100.0
623.36139	5.6
888.42133	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	886.6252
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	3.0
66.28143	0.7
67.05511	45.6
69.03437	21.4
69.07071	23.4
69.78864	2.3
69.79280	2.0
71.05004	2.6
71.08635	20.5
73.02926	1.1
77.03938	0.9
79.05501	26.2
79.96156	0.7
81.03427	29.2
81.07063	100.0
83.05005	0.9
83.08628	16.5
85.02460	0.5
85.02909	22.4
85.10182	10.9
91.05489	32.1
93.07052	59.2
94.07817	0.7
95.04984	4.9
95.08613	88.0
96.08920	0.8
97.02901	29.0
97.06505	1.7
97.10184	8.2
99.04450	4.3
103.05447	1.3
105.04542	1.5
105.07037	54.1
106.07325	0.8
107.08603	69.7
109.02888	17.8
109.06509	1.6
109.10165	66.9
111.11739	3.1
115.03980	0.8
115.05482	1.1
117.07021	6.9
119.08590	58.6
121.10153	50.6
123.08118	1.4
123.11719	24.9
125.13272	1.8
127.03926	27.5
129.07056	1.5
131.08589	13.7
133.10147	25.5
135.11697	25.6
137.06015	0.7
137.13248	5.5
143.08591	2.0
144.09373	1.6
145.04964	10.0
145.10132	20.6
147.11696	30.8
149.13271	31.2
150.13635	0.9
151.14877	1.6
155.08623	0.7
157.10139	1.6
158.10931	0.9
159.11708	25.0
161.13269	27.2
163.14832	25.6
165.16573	0.8
171.11746	1.7
173.13277	12.2
175.14847	20.8
175.16289	1.4
177.16405	14.8
177.17856	1.2
185.13258	1.3
187.14830	9.2
189.16400	12.2
191.17966	3.8
197.13289	0.8
199.14980	1.2
201.16394	14.3
203.17975	9.2
213.16466	1.3
215.17972	29.6
216.18462	1.0
217.19556	2.0
221.22525	1.0
229.19518	4.2
231.21114	0.9
239.23721	28.8
239.26128	1.6
240.24022	0.8
243.21196	2.3
257.22562	1.2
257.24872	3.2
269.22647	1.5
271.24231	48.7
272.24561	1.6
283.24182	0.8
289.25342	2.9
383.27957	30.9
401.29010	18.6
401.33905	1.4
490.01886	0.9
593.27893	1.1
781.31866	0.8
788.99841	0.7
886.47443	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
62.30424	0.7
65.03938	3.5
66.64432	0.8
67.05509	20.4
68.05016	4.2
69.03435	10.5
69.07080	5.4
70.06599	15.8
71.04985	2.5
72.08147	2.0
73.02909	1.0
75.69937	0.7
77.03931	1.5
79.05084	1.4
79.05499	19.8
79.61799	0.8
80.05022	4.1
81.02989	1.4
81.03424	16.9
81.07062	44.2
82.06573	3.3
83.04974	2.9
83.06068	0.9
83.08609	2.2
84.04508	7.2
84.08124	3.8
85.02917	6.8
86.09708	3.2
87.00841	0.8
91.05486	23.2
93.07049	46.9
94.06567	13.6
95.04977	23.7
95.08613	29.3
96.04507	5.2
97.02908	9.0
97.06525	1.8
97.10146	2.3
98.06056	8.5
99.04446	2.8
103.05453	1.7
105.03383	1.2
105.04520	2.0
105.07040	37.8
107.04893	1.0
107.08600	30.9
108.04470	1.7
109.02866	6.4
109.06508	3.8
109.10155	14.8
110.06036	4.4
111.04451	3.0
111.08111	1.4
112.03973	38.7
112.07579	6.7
114.05544	16.9
115.05492	0.9
117.07004	5.7
118.08711	1.1
119.08588	47.6
120.08115	1.5
120.08918	1.0
121.06518	3.6
121.10152	36.9
122.06038	11.6
123.04435	23.9
123.08059	3.8
123.11700	5.3
124.07610	1.2
125.09576	0.9
126.05531	14.3
127.03922	4.8
128.06223	1.7
129.07013	1.9
129.10286	0.9
130.07689	0.9
130.08623	1.0
131.08572	12.1
133.10141	17.5
135.04546	1.2
135.08096	4.9
135.11687	11.1
136.07541	2.0
137.09625	1.5
140.07074	75.2
141.05440	2.6
142.07762	3.0
142.08710	1.3
143.08563	5.3
144.06633	1.2
144.09346	1.9
145.04927	0.9
145.09068	1.2
145.10141	16.1
147.08064	2.4
147.11679	13.9
148.11874	1.0
149.09665	4.1
149.13264	8.0
150.05473	1.1
155.08510	2.6
156.06602	1.0
156.09297	1.3
157.10143	5.4
158.08138	59.0
159.11707	16.3
161.09584	2.6
161.13278	8.4
163.11209	1.6
163.14857	6.2
164.07060	1.4
167.08441	1.0
168.06567	1.4
169.10136	4.4
171.07835	1.0
171.11691	5.4
172.06058	39.3
173.09628	1.5
173.13275	9.0
175.11176	2.8
175.14821	3.8
176.09190	88.3
177.09193	0.9
183.11674	3.8
185.13245	3.3
187.14812	5.1
189.12758	2.4
189.16377	5.7
191.14381	0.9
197.13251	1.8
199.14825	2.6
200.09232	1.6
201.12715	1.7
201.16368	2.8
209.13348	1.3
211.14793	3.8
213.12708	1.1
213.16373	1.3
215.14388	1.8
215.17926	1.3
217.15872	2.4
218.10249	3.7
225.16394	2.1
227.14336	1.2
227.17978	2.9
229.15918	1.3
229.19566	2.5
239.17816	1.0
243.21199	1.2
248.09177	1.8
255.21103	1.1
257.22678	4.2
266.10251	5.0
267.21082	3.5
283.20541	1.2
285.22162	7.5
292.13937	1.8
301.21582	1.0
303.23026	0.9
358.11386	1.4
376.12595	1.9
393.24063	2.4
394.13422	1.4
411.25372	4.3
420.11133	1.0
424.14627	1.3
429.26285	4.3
438.12283	3.5
447.27451	7.0
460.30301	1.1
525.96814	0.9
554.29419	5.7
562.37469	1.4
568.32593	1.8
586.34094	1.4
604.34912	11.2
622.35901	100.0
623.36121	4.5
888.42828	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	886.5589
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	0.6
69.31783	4.5
70.06602	5.1
71.04995	1.7
71.49564	0.5
72.08146	1.6
73.02921	4.7
73.06569	8.4
77.05550	0.6
77.36180	0.5
79.05487	0.7
84.04510	1.1
84.08148	1.9
86.09718	1.9
87.04479	25.1
88.49678	0.6
89.06041	100.0
91.05494	1.5
97.06533	0.5
98.21461	1.0
103.07593	87.4
104.07925	1.0
105.07025	0.7
107.07085	1.7
113.06017	3.0
115.07570	0.7
117.09147	8.2
120.08109	1.1
129.10240	0.8
130.08643	1.4
131.07051	7.0
133.08620	59.0
135.10146	0.7
136.07597	0.7
140.12216	0.5
147.10181	35.7
157.08649	0.7
159.10173	1.1
161.11781	3.4
169.13368	0.6
175.09682	5.1
177.11246	21.8
191.12849	1.5
203.12759	0.7
219.12262	1.3
221.13826	3.6
265.16531	1.1
309.19055	0.9
509.28052	0.6
652.50732	0.6
869.51733	1.7
886.55914	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	886.6251
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	3.0
67.05510	39.5
69.03085	1.7
69.03432	20.7
69.07072	22.3
71.05000	3.0
71.08289	1.4
71.08641	17.3
71.42858	2.1
74.36990	1.0
79.05074	1.8
79.05501	27.0
81.03424	22.4
81.07060	100.0
83.04974	2.6
83.08617	15.1
85.02908	38.2
85.10184	10.9
87.04490	1.6
89.06013	1.1
91.05485	24.7
93.07048	56.5
95.04964	4.0
95.08613	91.2
97.02898	24.7
97.06533	1.4
97.10170	9.7
98.43729	0.9
99.04462	4.3
103.05441	1.5
105.04539	2.0
105.07038	54.9
107.08601	75.4
108.04541	1.0
108.08926	1.0
109.02883	15.2
109.06519	2.4
109.10164	65.2
111.11732	2.9
115.05468	1.2
116.06232	0.9
117.07054	6.1
117.07735	1.2
119.06087	1.8
119.08589	57.5
121.10152	48.8
121.60098	1.2
123.08092	1.3
123.11713	28.2
125.13244	2.1
127.03926	34.6
131.08563	13.8
133.10144	24.2
135.11697	28.6
137.13216	6.3
142.07709	1.3
143.08582	1.7
145.04967	17.3
145.10130	19.5
147.11700	31.4
149.13269	31.1
149.14178	0.7
151.14786	1.4
157.10197	1.6
159.11705	31.8
161.13264	32.8
163.14824	26.6
166.20869	1.1
171.11771	1.4
173.13261	11.5
175.14816	20.7
177.16386	10.5
187.14822	8.9
189.16391	11.2
191.17961	2.9
201.16368	14.1
203.17979	8.9
213.16478	1.6
215.17967	29.8
216.18208	1.3
229.19542	3.6
231.21091	3.4
238.46739	0.9
239.23705	29.2
243.21054	1.5
250.09161	0.9
257.24789	5.0
271.24237	39.2
289.25256	3.2
291.04376	1.1
383.27951	38.4
384.28351	1.0
401.29004	54.9
853.05145	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.5336
Annotation	Unknow
Peak:m/z	Relative Intensity
65.35499	0.3
67.05506	0.6
79.05527	0.4
81.03416	0.3
81.07068	0.7
91.05467	0.4
93.07049	0.7
95.08585	0.6
105.07011	0.5
107.08624	0.6
109.10149	0.4
117.07050	0.3
119.08575	0.5
121.10213	0.3
141.05318	0.3
141.76111	0.2
147.11971	0.3
152.13365	0.3
154.71225	0.2
165.09132	0.3
201.03766	0.5
203.05356	1.0
210.18341	0.3
347.66617	0.3
414.18683	0.3
417.22339	0.4
433.22049	0.6
475.30441	0.3
518.00781	0.2
538.61554	0.2
608.29443	0.4
705.47028	6.4
707.48602	28.6
708.48810	1.6
799.16187	0.3
885.53363	100.0
886.53644	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	885.5334
Annotation	Unknow
Peak:m/z	Relative Intensity
64.29934	0.4
67.05497	0.9
69.03478	0.3
70.74622	0.4
70.74938	0.5
76.19082	0.3
81.03413	0.3
81.07056	1.3
85.02914	0.7
85.58565	0.3
91.05479	0.4
93.07041	0.8
94.07379	0.4
95.08613	0.9
96.24311	0.3
105.07043	0.8
107.08604	0.6
109.10147	0.7
112.24909	0.4
119.08657	0.4
184.07442	0.4
185.04327	0.4
201.03822	0.4
433.22028	18.5
434.22543	0.5
435.23541	9.7
437.99008	0.3
473.28775	6.8
475.30344	38.2
476.30951	1.6
707.47839	0.5
735.62946	0.3
736.16064	0.4
885.53345	100.0
886.53241	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	885.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
61.83396	1.1
67.05518	2.1
69.07074	1.4
70.06602	7.4
70.58369	1.5
70.58709	2.4
71.04991	4.6
72.08163	1.5
79.05494	2.7
81.07066	4.8
84.04501	1.8
84.08154	2.3
85.02911	4.7
86.09717	3.7
91.05489	3.1
93.07065	3.3
95.08614	3.0
97.02943	1.4
105.07036	3.0
107.08618	4.3
109.10178	2.2
119.08587	3.6
120.08097	1.5
121.10174	2.6
127.03963	1.9
128.07086	2.8
129.05431	1.4
131.08586	1.4
133.10139	2.0
135.11647	1.4
147.11713	2.3
161.13251	1.7
173.13251	1.4
185.04259	1.3
245.06439	3.3
284.91769	1.2
287.03772	7.7
289.05328	22.0
331.10086	4.2
347.09534	3.1
349.10492	1.5
435.07495	1.3
473.28726	5.1
475.30682	3.4
559.29840	1.2
577.29944	1.8
619.34528	54.0
620.35468	2.0
621.36139	44.4
637.35498	9.8
739.35327	17.7
841.41791	16.7
884.69196	1.2
885.40869	100.0
886.40546	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	885.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	1.7
69.73899	4.2
70.06606	3.0
71.04990	3.8
74.86863	0.7
79.05503	2.5
79.50121	0.7
81.07065	5.1
83.04986	0.8
84.08169	1.1
85.02897	6.3
86.03259	1.0
91.05491	2.3
92.33662	0.8
93.07030	4.3
95.08612	3.5
98.21439	1.0
98.83504	0.8
98.97667	0.7
105.07056	1.9
107.08617	2.7
109.10178	2.5
111.04426	0.9
119.08576	2.3
121.10170	2.3
123.54931	0.8
127.03986	0.8
129.05478	1.6
131.08601	1.0
133.10178	1.0
135.11696	1.7
141.05315	0.8
145.10153	1.0
147.11702	1.3
149.13286	1.1
155.83131	0.9
159.04425	0.8
159.11761	1.2
161.13303	1.2
169.04735	1.0
173.02960	0.8
173.13260	0.7
176.69223	0.7
185.04271	2.3
203.05307	1.5
221.05116	1.2
226.93799	0.8
243.04849	1.4
245.06367	3.2
248.86612	0.7
272.85797	0.8
287.03745	6.5
289.05295	19.7
289.08289	1.2
331.10025	3.3
347.09647	2.7
349.10873	0.9
435.06818	0.7
473.28601	5.7
475.30405	3.3
491.29681	1.6
559.29773	1.0
577.30212	1.3
617.07654	0.7
619.34546	56.7
620.34692	1.8
621.36133	38.8
622.36591	1.6
637.35797	8.1
695.35846	0.8
739.35193	18.6
740.35577	1.2
799.41461	0.9
841.41901	16.4
842.41595	0.9
885.40869	100.0
886.41699	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	885.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01852	0.2
68.99805	0.5
69.03426	1.3
70.06598	1.3
70.51585	0.2
71.49500	0.4
72.08165	0.4
73.02917	0.7
73.87373	0.2
79.05486	0.2
81.03418	0.9
84.08142	0.7
85.02911	3.7
86.09698	0.5
91.03953	0.7
91.05486	0.3
97.02898	1.6
97.06510	0.4
99.04461	0.7
105.03410	0.2
107.04941	0.3
109.02895	2.3
111.00793	0.5
111.04411	0.2
113.02369	0.6
116.07043	0.2
121.02874	5.3
127.03928	3.4
129.10268	0.6
131.03418	1.6
133.02849	0.5
136.07587	0.3
137.02365	0.5
137.39185	0.2
142.08595	0.2
144.01723	0.2
145.02931	0.2
145.04962	0.4
147.04382	1.0
153.01839	2.9
157.06520	0.3
161.06047	0.4
165.01866	1.2
168.05862	0.2
171.02986	0.2
173.04587	0.2
183.02939	0.6
185.05933	0.4
189.05563	0.2
201.05438	0.3
203.05464	0.4
213.05492	1.0
219.06456	0.2
231.06531	0.7
239.05467	0.2
241.04942	1.3
245.04524	0.3
257.06552	0.9
258.05304	0.6
266.79019	0.2
269.04440	0.3
273.04016	0.4
287.05518	100.0
288.05850	2.9
299.05609	0.8
301.03290	0.5
303.04895	0.3
313.03433	1.2
316.34601	0.4
324.17432	0.2
329.06540	1.0
353.06531	0.4
355.08160	1.7
381.09659	0.8
399.10776	7.4
400.10645	0.2
485.55542	0.2
488.02811	0.2
539.16284	0.2
543.33038	0.2
561.12280	15.7
562.12579	0.9
653.19775	0.2
653.94202	0.2
915.98383	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.6098
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	42.4
69.03433	13.0
69.07069	29.8
71.04989	3.7
71.08640	2.5
79.05493	29.7
81.03426	13.4
81.07061	100.0
82.85423	1.7
83.04989	3.2
83.08608	14.3
85.02908	19.5
85.06512	1.9
86.09702	4.6
87.04487	4.0
91.05476	25.9
93.07052	60.7
93.07645	3.3
95.04980	6.3
95.08611	69.5
97.02892	9.5
97.06523	3.6
97.10165	7.0
99.04434	4.1
103.05476	3.4
105.04485	2.3
105.07038	52.3
107.08598	64.9
109.02859	5.3
109.10158	51.7
111.08068	2.3
111.11725	3.7
115.07593	2.3
117.07036	6.2
117.09108	2.5
119.08588	50.9
121.06512	2.9
121.10148	50.4
123.04424	2.2
123.11722	18.3
125.00008	3.9
127.03950	5.4
129.06982	2.1
131.08589	13.1
133.10143	25.5
135.11690	24.3
136.06204	2.1
136.32976	2.1
137.13297	5.4
143.08615	1.9
145.04948	2.4
145.10143	14.5
147.11691	25.5
149.13275	25.2
159.11684	27.5
161.13295	23.1
163.14833	20.6
173.13293	8.2
175.14830	13.4
177.16354	9.6
184.07370	9.9
187.14803	6.5
189.16402	10.8
191.17949	2.5
201.16386	9.9
203.17986	7.5
215.17944	16.3
219.21117	2.7
229.19653	2.3
231.21068	3.0
237.22133	4.5
243.21112	2.9
271.24261	23.6
277.21564	3.5
279.23196	2.8
292.26367	2.6
295.22852	2.6
317.24686	2.2
345.24222	9.0
363.25317	22.7
381.26431	15.6
399.27271	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	883.5931
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	4.6
67.05509	36.3
69.03436	27.6
69.07071	23.6
69.58239	1.2
70.34087	3.9
71.01358	1.3
71.04986	3.4
73.02914	4.5
77.03902	1.6
78.53611	1.3
79.05066	2.3
79.05498	27.3
81.03423	12.1
81.07060	81.8
83.04969	2.5
83.08626	9.9
85.02909	100.0
87.04448	4.3
88.51902	1.4
91.03939	4.2
91.05488	29.5
93.07049	60.5
95.05003	6.5
95.08610	79.3
97.02897	32.6
97.10142	6.5
99.04452	6.6
103.03942	2.3
103.05419	1.5
105.04556	1.8
105.07037	50.6
107.08601	66.8
109.02888	13.1
109.06511	3.4
109.10160	63.0
111.04465	1.4
111.11697	3.3
112.10033	1.3
115.03923	1.7
115.05411	1.7
117.07004	8.6
119.08582	54.0
121.10149	47.9
123.11722	26.7
127.03920	23.8
128.06267	2.1
129.07007	4.8
131.08575	19.8
131.29532	1.3
133.10136	33.5
135.11702	36.2
137.13287	8.5
141.07043	1.5
142.07843	2.9
143.08588	11.3
144.09329	1.5
145.04956	29.2
145.10129	31.2
146.10855	1.4
147.11684	29.6
149.13268	30.8
151.14862	3.4
155.08563	4.3
155.23524	1.3
156.09334	4.2
157.10152	14.9
159.11703	32.2
161.13266	23.2
163.06020	6.1
163.14841	16.9
169.10127	7.6
171.11676	18.8
172.12427	1.9
173.13281	23.8
175.14825	16.4
177.16402	12.0
183.11674	8.2
185.13246	10.0
187.14822	17.4
189.16409	15.3
191.17946	5.3
195.11737	3.2
196.12447	1.9
197.08253	1.3
197.13266	7.2
199.14784	11.2
201.16422	16.0
203.17957	12.6
209.13318	4.7
211.14827	7.5
212.15541	1.4
213.16367	10.9
215.17978	10.4
217.19460	6.9
223.14842	2.3
225.16388	5.3
227.17944	10.5
229.19548	5.4
231.21118	2.4
237.16376	2.9
239.17871	3.7
241.19559	7.2
243.21085	7.7
245.22701	2.0
249.16565	2.3
251.17836	1.8
253.19547	3.8
255.21097	6.4
257.22729	7.3
259.24356	1.8
265.19763	1.4
267.21057	4.7
269.17798	1.3
269.22754	10.6
271.24194	7.6
281.22623	4.7
283.24261	5.7
285.25864	1.4
293.22607	2.1
295.24203	5.4
297.25836	4.7
309.25839	2.3
311.27313	1.8
323.27246	5.1
325.28876	3.2
337.28793	3.6
349.28860	3.5
351.30374	4.6
358.27277	1.5
363.30322	2.5
365.32037	1.7
377.31915	1.7
391.33383	3.6
393.35309	2.3
403.33792	2.1
405.35272	2.9
417.35361	1.9
419.36697	2.8
431.36853	2.3
433.38580	1.6
459.39706	4.0
473.41565	2.1
485.41428	2.8
541.47668	45.1
542.47998	3.5
559.48895	17.9
685.51233	1.8
703.52966	7.0
721.53809	8.2
795.30603	1.8
883.59308	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	882.5934
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	3.1
66.40544	1.2
67.05508	46.2
69.03146	1.0
69.03436	10.9
69.06731	1.7
69.07071	23.1
69.76611	5.8
71.04984	2.4
71.08640	2.4
79.05498	35.6
81.03428	13.4
81.07059	100.0
82.07386	1.1
83.04969	3.2
83.08628	10.0
85.02911	19.2
85.06538	2.4
85.10167	1.5
87.04462	1.2
91.05480	31.3
92.48889	1.2
93.07048	63.4
95.04977	8.7
95.08614	71.1
97.02895	9.8
97.06530	2.2
97.10161	5.3
99.04453	2.2
99.08054	1.4
103.05441	1.5
105.04517	1.5
105.07036	58.5
106.07420	1.1
107.04957	2.2
107.08601	67.7
109.02859	2.6
109.06513	3.9
109.10160	51.5
111.04457	1.0
111.08057	1.2
111.11716	1.8
115.05410	1.5
117.07018	9.3
119.08590	61.4
121.06492	2.4
121.10149	48.7
123.04363	1.6
123.08080	2.0
123.11707	17.6
125.09590	1.5
127.03902	3.9
129.07007	4.1
131.08569	16.9
133.10138	26.4
135.08017	1.2
135.11696	23.3
137.09619	1.4
137.13292	4.8
143.08530	3.5
144.09360	2.1
145.04945	2.9
145.10126	22.1
147.08067	1.5
147.11697	26.4
149.09586	1.5
149.13260	28.2
149.14395	2.1
151.11224	1.9
153.12830	1.3
154.09012	1.1
155.08609	2.4
157.10133	3.3
159.11703	26.3
161.13264	24.9
163.14830	19.5
165.12781	1.2
169.10149	2.2
171.08040	1.3
171.11746	2.1
173.13264	10.9
175.11183	1.2
175.14827	18.7
177.12729	1.3
177.16364	7.0
179.14330	1.7
185.13287	2.5
187.11168	1.1
187.14813	7.2
189.16391	8.5
191.17918	1.6
199.11057	1.1
199.14844	1.7
201.16371	11.7
203.18039	6.1
213.16335	1.5
215.17967	22.8
217.19438	4.8
219.21211	1.4
227.17886	1.3
229.19504	4.6
231.21078	3.1
233.19029	2.8
235.20654	3.9
243.21071	2.6
245.15256	1.4
247.20529	1.6
247.89798	1.0
255.20821	1.3
259.20566	2.2
265.21616	1.8
269.22742	1.4
271.21072	1.6
271.24225	28.4
272.24677	1.1
273.22073	1.1
275.19888	2.1
277.21628	2.8
289.21796	1.9
289.25244	2.9
293.21069	2.2
301.21799	2.0
315.23181	1.6
319.22662	1.8
325.21677	2.7
328.63120	1.0
333.24130	1.4
343.15771	1.1
343.22672	10.5
361.23792	11.4
379.24802	14.4
397.26093	4.0
415.61456	1.3
437.73798	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5936
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	3.5
67.05507	54.7
69.03436	10.3
69.07071	22.7
69.14185	1.0
69.23863	9.4
71.05000	2.0
71.08643	1.9
77.03951	1.4
79.05496	33.6
81.03421	17.5
81.07059	100.0
83.04983	2.1
83.08620	11.7
85.02901	8.6
85.06531	1.3
87.04426	1.1
91.05483	35.4
93.07047	71.8
95.04983	7.9
95.08611	78.2
97.02897	7.6
97.06530	2.5
97.10159	6.3
99.04461	2.4
99.08115	3.2
103.05428	1.8
105.07036	54.3
107.04975	1.1
107.08598	69.0
109.02891	4.6
109.06522	2.6
109.10159	54.6
111.04491	1.3
111.08078	2.1
111.11753	3.0
114.47063	1.1
115.05447	1.2
117.07014	8.3
119.08585	57.6
121.06490	2.4
121.10143	54.4
123.04450	2.0
123.08112	1.1
123.11715	20.3
125.05991	1.1
127.03919	4.0
127.11148	1.5
129.07008	4.0
130.07790	1.5
131.08562	15.5
133.10136	29.6
135.11694	26.0
137.09634	2.6
137.13242	5.8
139.11183	1.3
143.08556	5.1
144.09323	1.6
145.04997	1.3
145.06511	1.4
145.10129	22.1
146.64229	0.9
147.08084	1.7
147.11697	27.6
149.09665	1.6
149.13261	27.9
151.11194	1.2
151.14850	2.6
155.08647	1.6
157.10150	4.4
159.11699	29.5
161.09677	1.0
161.13254	28.0
162.13481	0.9
163.11188	1.4
163.14825	22.6
163.16125	1.9
165.12820	1.2
169.10168	1.5
171.11700	4.2
173.13271	13.9
175.14836	19.1
177.12758	1.2
177.16403	11.2
183.11821	1.6
185.13283	2.6
187.14833	9.0
189.16385	13.7
191.17952	3.4
193.12149	1.2
197.64040	1.1
199.14816	1.6
201.16374	15.6
203.17915	7.9
205.12242	1.2
211.14844	1.3
213.16357	2.1
215.17958	29.1
215.19937	1.9
217.19554	5.7
227.17886	1.0
229.19527	5.6
231.20938	1.2
233.19037	2.2
235.20557	5.6
243.21112	2.0
265.21735	1.6
267.20990	1.2
269.22824	2.0
271.24219	41.4
275.20132	1.3
277.21591	2.7
287.95322	1.1
289.21841	1.9
289.25082	1.1
297.22089	1.1
315.23090	1.4
319.22693	1.2
325.21603	1.9
333.24234	1.1
343.22552	6.2
361.23727	6.9
379.24768	9.3
397.26178	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	880.5848
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	0.7
67.05184	0.6
67.05511	7.0
67.22743	0.4
69.03441	2.8
69.07075	27.4
70.06589	1.6
70.62760	0.6
70.63096	1.2
71.05000	0.8
71.08643	2.1
72.08164	0.7
73.02927	1.1
73.06561	6.6
79.05495	1.6
81.03413	1.7
81.07062	12.7
83.08627	17.3
85.02911	6.9
85.06498	0.6
85.10186	1.6
86.09700	1.2
87.04478	10.9
89.06039	100.0
91.05474	0.7
93.07066	1.6
95.08615	12.2
97.02914	2.4
97.10177	15.2
105.07044	1.2
107.07079	3.0
107.08632	0.8
109.02865	0.8
109.10166	6.5
111.11731	10.3
111.12454	0.9
117.08379	0.9
117.09138	7.8
119.08584	0.8
121.10172	0.8
123.11736	3.9
125.13283	4.6
127.03903	1.2
129.10272	0.7
130.08672	1.4
131.07065	4.2
133.08615	61.1
134.08904	0.9
135.10173	0.7
136.06149	0.9
137.13242	1.2
145.04985	0.8
151.09637	1.3
151.14763	0.9
161.11707	3.0
161.13081	0.4
162.07700	0.7
175.09674	2.2
177.11243	29.1
179.12866	0.9
193.30769	0.5
195.12306	0.7
195.57774	0.5
199.20644	0.5
206.82768	0.5
207.21109	0.8
217.40834	0.5
219.12347	0.6
221.13867	6.8
223.15468	0.5
225.22147	0.8
239.14943	1.9
265.16553	2.2
265.31989	0.5
269.24805	9.6
283.17612	3.9
309.19183	1.7
313.27417	8.9
327.20227	2.2
331.28500	0.9
353.21875	1.7
375.31110	0.9
392.47537	0.6
397.24390	1.0
419.33582	0.8
463.36569	1.2
503.30493	4.4
507.38773	0.9
519.44336	0.6
551.41309	1.0
615.65753	0.5
639.46533	1.0
683.49408	16.6
701.50079	1.1
880.57953	0.6
888.26288	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5774
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	4.5
67.05509	47.5
69.03442	12.6
69.06742	1.4
69.07076	23.3
69.55319	4.5
69.55739	4.7
71.04980	3.0
73.02906	1.3
74.63525	1.1
77.03925	2.3
79.05497	40.8
81.03436	11.2
81.07061	100.0
83.04996	3.4
83.08618	10.3
85.02913	25.5
85.06530	1.8
91.05485	44.4
93.07047	80.5
95.04961	8.4
95.08610	87.0
97.02905	9.0
97.06506	3.6
97.10173	5.4
103.05439	1.9
105.04532	2.6
105.07039	67.8
107.04972	1.9
107.08599	86.1
109.02848	3.8
109.06502	3.3
109.10165	66.9
111.04440	2.0
111.08065	2.2
111.11706	1.9
117.07034	11.9
119.08591	69.8
121.06496	2.9
121.10151	61.0
123.08068	2.0
123.11706	27.4
125.09622	1.5
127.03912	6.3
128.06226	1.8
129.07014	5.5
131.08582	23.1
133.06496	2.5
133.10139	32.7
135.08064	3.5
135.11693	30.9
137.09612	1.4
137.13249	4.6
139.11165	1.4
143.08574	8.3
144.09344	2.0
145.04951	3.9
145.10136	25.6
146.10727	1.6
147.08049	1.7
147.10521	1.8
147.11691	32.4
149.09604	2.6
149.13260	34.3
151.11087	1.7
155.08546	2.2
157.10190	7.4
158.10902	1.8
159.11693	39.0
161.09648	2.4
161.13268	30.4
161.14604	1.9
163.11198	1.4
163.14833	23.7
164.47804	1.4
165.09074	2.2
165.12796	1.8
169.10103	4.1
171.08092	1.4
171.11662	6.0
173.13264	16.7
175.11263	1.4
175.14813	22.5
177.16405	14.8
183.11668	3.7
185.13231	4.1
187.14780	11.0
189.12726	2.4
189.16403	12.5
191.17979	4.3
195.11520	1.5
197.13254	2.2
199.11214	1.7
199.14864	2.6
201.12746	2.2
201.16382	17.4
203.17967	11.6
205.12204	1.7
209.11533	1.7
211.14909	2.0
213.16336	4.6
215.17967	29.9
215.19945	2.2
216.18530	1.4
217.15828	1.4
217.19519	1.5
227.17961	1.8
229.19507	5.7
231.21123	5.4
233.19054	2.2
243.17529	1.6
243.21008	2.1
247.20717	1.5
249.18518	2.4
257.19031	1.5
263.20068	1.8
269.22794	2.0
271.24228	41.5
273.18478	1.9
275.20078	5.2
287.20099	2.4
289.25275	5.0
299.20099	1.8
313.21558	3.3
323.20062	3.3
331.22672	1.4
341.21143	10.9
359.22183	15.2
377.23215	12.7
395.24442	3.7
541.36182	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	880.5775
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	3.3
67.05508	52.2
69.03431	10.3
69.07071	21.3
71.05010	2.1
71.15746	2.4
75.01075	1.4
79.05498	53.7
80.40263	1.4
81.03425	15.3
81.07060	100.0
83.04994	3.4
83.08628	10.4
85.02907	11.0
91.05486	46.2
93.07050	75.5
95.04989	7.5
95.08614	87.2
96.08984	1.4
97.02888	5.0
97.06557	1.8
97.10164	6.4
99.04462	2.6
104.92301	1.5
105.04530	2.2
105.06314	1.9
105.07040	73.1
107.08603	79.9
109.02901	4.4
109.06576	2.2
109.10166	61.2
111.04494	2.3
111.08073	2.3
111.11736	1.9
115.05527	2.6
116.06323	1.5
117.07015	13.5
119.08595	66.8
121.06536	2.9
121.10153	62.9
123.08134	2.1
123.11724	20.5
127.03942	4.4
129.07013	5.3
130.07802	3.2
131.08572	26.2
133.10138	36.4
135.08070	3.4
135.11702	35.2
137.13268	3.4
141.07005	3.3
143.08607	7.1
145.04962	2.0
145.10123	28.8
147.11703	36.8
149.09689	2.8
149.13280	32.5
151.11172	2.7
157.10139	5.8
159.11711	35.2
159.13029	1.9
161.09644	1.7
161.13260	29.8
163.14832	24.1
165.12814	2.0
169.10193	3.3
171.08069	2.1
171.11687	6.5
173.13309	16.3
175.14835	19.5
177.12798	2.0
177.16394	13.7
179.86147	1.5
183.11673	2.6
185.13237	4.4
187.11237	2.0
187.14841	10.7
189.16389	15.4
191.17969	3.4
197.13197	1.9
199.14906	3.9
201.12660	2.0
201.16396	17.1
203.17975	11.6
213.16467	4.3
215.17960	33.0
215.19949	2.5
219.17511	1.8
229.19545	5.3
231.17448	3.3
233.19066	4.1
243.21169	2.3
255.17241	1.8
263.19934	2.2
271.24243	47.6
275.20068	2.9
287.19995	1.9
289.25153	2.4
313.21967	2.1
323.20148	2.6
341.21207	4.0
359.22159	5.0
377.23251	3.9
395.24292	1.5
542.83521	1.9
633.92969	1.8
665.48352	1.9
845.93024	1.9
892.66852	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	880.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	1.2
65.03944	1.5
67.05510	17.8
67.43552	0.3
69.03080	0.7
69.03433	8.8
69.07072	9.9
69.57921	2.1
69.84899	0.3
70.06599	1.2
71.01361	1.4
71.04996	62.6
71.08633	0.4
71.25466	0.3
72.05320	0.5
72.08149	0.4
73.02921	2.1
75.04487	5.1
76.24279	0.3
77.03916	0.6
79.05494	13.9
81.03428	5.6
81.07059	42.5
82.07402	0.6
83.01336	0.3
83.04485	0.7
83.04984	14.2
83.08617	4.0
85.02908	100.0
86.03227	0.4
86.09695	0.5
87.00835	3.6
87.04470	3.8
89.06044	1.2
91.03933	0.5
91.05485	15.0
93.07049	33.0
95.04976	3.0
95.08610	35.5
96.08939	0.6
97.02895	13.2
97.06535	1.2
97.10181	2.7
99.04465	5.1
101.02338	0.4
101.06016	0.9
103.03953	3.8
103.05474	1.1
105.01870	3.4
105.04483	0.6
105.07035	28.6
107.08600	37.4
107.30154	0.3
108.02802	0.4
109.02885	3.1
109.06532	1.8
109.10162	30.4
110.10471	0.4
111.04447	12.0
111.08054	0.7
111.11737	1.2
113.05994	0.8
115.03911	0.5
115.05444	0.6
117.07033	3.8
119.06092	0.6
119.08587	31.3
120.08933	0.4
121.06495	0.8
121.10152	26.3
122.10432	0.3
123.08112	0.9
123.11710	10.6
125.02374	1.0
125.06014	0.5
125.09627	0.9
127.03923	17.1
128.06256	0.5
129.05486	35.4
129.07016	1.1
131.08574	7.3
133.10139	15.0
135.08064	0.7
135.11694	14.2
137.05928	0.5
137.09666	0.4
137.13260	2.1
139.07539	0.5
139.11211	0.7
141.07042	0.4
142.07793	0.5
143.07060	0.4
143.08553	1.5
143.45204	0.3
144.09348	1.1
145.04968	11.5
145.10130	12.7
146.08124	0.4
147.06528	16.7
147.11694	14.8
148.06860	0.3
149.09560	0.6
149.13268	17.9
151.11130	0.5
151.14822	0.4
155.08556	0.8
156.09396	0.4
157.10123	3.1
158.10832	0.5
159.11702	17.5
160.12187	0.4
161.09608	0.7
161.13261	15.6
163.06006	0.8
163.11253	0.6
163.14828	12.6
164.09177	1.1
165.07571	0.7
165.08990	0.4
165.12735	0.5
167.10638	0.5
168.09328	0.5
169.04924	0.3
169.10106	1.2
171.06471	0.6
171.11678	1.8
173.13263	7.5
175.11200	0.4
175.14839	9.9
176.15259	0.4
177.16393	7.3
183.11676	1.2
185.13239	1.5
187.11176	0.6
187.14819	6.1
189.03998	0.5
189.12737	0.4
189.16385	6.8
191.08968	0.4
191.17938	1.7
193.10297	0.4
193.81737	0.3
198.14098	0.4
199.14784	1.5
201.11154	0.4
201.12788	0.5
201.14597	0.6
201.16397	9.3
203.17978	5.7
207.06689	0.4
209.13333	0.6
211.14813	0.9
213.16380	2.2
215.05481	0.7
215.17967	16.2
217.19504	1.0
221.18993	0.4
223.14828	0.5
225.07521	0.5
225.16364	0.8
227.14386	0.4
227.17926	1.3
229.15982	0.4
229.19522	2.2
231.05003	10.3
231.21031	1.4
233.06409	0.6
237.07478	1.7
243.21036	1.4
249.06100	10.8
249.16441	0.4
255.08745	1.8
255.21021	0.9
257.22687	2.1
269.19928	0.3
269.22614	2.4
271.24213	27.7
273.09790	2.0
281.22562	0.7
283.24118	1.0
289.25229	2.0
295.24246	0.8
297.25900	0.5
309.11734	1.3
313.25134	0.5
337.25031	0.8
341.08679	1.0
359.09604	1.4
363.26819	0.6
377.10605	0.8
381.27783	1.3
395.11542	1.3
399.28720	0.8
415.27838	0.4
417.30057	1.8
543.35126	0.3
553.54712	0.4
611.82458	0.4
775.17145	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	2.3
63.12601	0.4
65.03948	1.7
67.05507	17.8
68.99796	0.9
69.03433	8.6
69.07072	9.2
69.76299	1.6
70.06601	0.8
71.01358	1.2
71.04996	62.2
71.08624	0.5
72.05334	0.7
73.02914	3.8
75.04483	4.1
77.03925	0.6
79.05009	0.4
79.05494	14.0
81.03426	6.4
81.07061	43.9
83.04984	12.0
83.08617	4.4
85.02908	100.0
85.06517	0.5
86.03244	0.8
87.00837	6.1
87.04470	2.8
91.03951	0.7
91.05482	14.1
93.07050	29.8
95.04996	3.7
95.08611	38.9
97.02902	9.9
97.06504	1.4
97.10166	2.5
98.21495	0.5
99.04445	4.6
101.06015	1.1
103.03953	1.4
103.05458	0.9
105.01874	11.5
105.02577	0.6
105.04544	0.9
105.07036	27.7
107.04984	0.5
107.08601	36.9
109.02153	0.5
109.02876	8.0
109.06519	1.6
109.10161	30.4
110.10494	0.4
111.04442	10.1
111.08073	0.7
111.11712	1.8
113.06018	0.7
115.03931	0.7
115.05497	0.4
115.40511	0.5
117.07031	3.5
119.06087	0.6
119.08583	30.6
121.06561	0.6
121.10148	26.4
122.10444	0.8
123.04451	1.1
123.08079	0.9
123.11713	11.0
125.02328	1.1
125.05980	1.0
125.09607	0.8
127.03924	18.5
128.06235	0.7
129.01791	0.7
129.05487	27.7
129.06970	1.0
130.07809	0.6
131.08575	7.8
133.10135	15.4
135.04401	0.8
135.08017	0.8
135.11690	15.3
137.13263	2.9
139.07515	0.8
139.11160	0.6
142.07835	0.5
143.08560	2.1
144.09326	0.5
145.04976	9.4
145.10133	13.0
146.08154	0.5
147.02927	0.6
147.06517	11.5
147.07800	0.8
147.11697	15.8
149.09651	0.6
149.13260	17.2
151.03905	0.7
151.14821	0.5
155.08501	0.9
157.10115	3.2
158.10898	0.6
159.02856	2.1
159.11699	17.7
160.12321	0.4
161.09576	0.7
161.13268	17.4
163.06122	0.5
163.11127	0.5
163.14825	13.4
164.09180	1.9
169.10103	0.8
171.02785	0.5
171.06473	0.5
171.11656	2.3
173.04457	0.5
173.13269	7.4
175.11256	0.8
175.14830	10.6
177.16389	7.0
183.11743	0.7
185.13210	1.4
187.14798	5.8
189.03937	1.3
189.16403	6.8
191.17912	1.7
193.05066	0.4
197.13266	0.6
199.14801	1.7
200.18304	0.4
201.16383	9.1
203.17955	5.4
211.14767	0.9
213.03958	3.3
213.16339	1.6
215.15875	0.7
215.17961	14.7
217.19452	0.9
219.17436	0.5
225.16434	0.8
227.17928	0.9
229.15804	0.5
229.19539	2.4
231.04991	7.7
231.08534	0.5
231.17284	0.4
231.20961	1.6
237.07576	3.6
239.17862	0.6
241.19463	0.9
243.17421	0.5
243.20984	0.7
249.06075	4.0
251.17979	0.4
253.19489	0.6
255.08759	2.7
255.20981	1.3
257.22601	2.1
267.21149	0.5
269.22678	2.1
271.24225	25.8
272.24503	0.7
273.05981	0.5
273.09515	1.2
275.07452	1.0
281.19189	0.4
281.22638	0.8
283.24100	0.9
289.25241	2.5
293.22565	0.4
295.24011	0.9
307.24097	0.5
309.11725	0.9
313.25070	0.7
315.10721	3.1
323.07562	0.6
325.25046	0.4
337.25159	0.5
341.08572	2.4
359.06100	0.5
359.09717	3.1
377.10574	1.1
381.27747	1.2
393.09946	0.4
395.11642	0.9
399.28763	1.3
417.30106	2.2
433.29410	0.5
614.38556	1.1
846.82080	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.4966
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	1.7
63.13841	0.2
65.03931	0.3
67.02991	0.3
67.05183	0.3
67.05508	3.8
69.03398	0.7
69.07074	1.3
70.06596	1.2
71.04976	0.2
71.50809	0.3
72.42345	0.2
73.02898	1.0
79.05079	0.3
79.05499	3.3
81.03419	3.0
81.07064	3.4
83.04961	0.6
83.08626	0.3
85.02905	1.5
85.90295	0.2
86.09706	1.4
91.03933	0.7
91.05489	2.3
92.02457	0.2
93.04527	0.3
93.07050	2.8
94.04049	0.4
95.04942	0.7
95.08618	2.2
97.02896	1.2
97.06521	0.5
99.00258	0.2
105.04477	0.2
105.07032	1.1
107.04951	1.2
107.08586	1.9
108.05586	0.5
109.10152	1.2
111.05576	0.5
117.07027	0.7
118.04044	0.5
119.03557	1.3
119.08575	0.9
120.05573	0.8
121.10123	1.1
123.08078	0.2
123.11681	0.3
127.03935	0.4
128.06342	0.2
129.06953	0.3
131.08574	0.8
135.05400	0.7
135.06668	2.2
135.11697	0.8
136.06192	61.0
137.04582	0.9
139.55621	0.2
142.08704	0.2
145.05110	3.5
145.10139	0.7
145.45734	0.2
148.06158	0.5
160.09848	0.2
162.07753	100.0
163.06134	0.9
163.08116	0.9
163.11189	1.0
167.51422	0.2
173.09625	0.3
174.07715	0.5
178.07259	0.7
184.07298	1.1
190.07239	3.9
191.08125	0.6
191.10736	0.4
192.08771	0.6
204.08855	0.4
209.11768	0.5
220.08319	6.0
223.07005	0.7
227.12750	0.3
229.14238	0.3
236.07866	0.8
286.16776	0.4
286.58896	0.2
298.16663	0.3
301.52838	0.3
316.17636	1.6
326.16287	0.3
335.25803	2.4
344.17224	2.8
362.18484	0.9
403.84094	0.3
408.22656	0.3
418.20923	0.8
436.21915	2.7
454.23309	0.8
642.25336	0.2
668.43915	1.6
678.42322	0.5
696.43365	6.8
697.43848	0.4
714.44397	28.8
715.44818	2.0
858.49060	0.5
876.49646	14.4
877.49536	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	1.3
65.03932	2.5
67.05505	44.6
69.03430	14.1
69.07070	18.3
69.81852	4.6
70.06580	2.5
71.01365	1.2
71.04989	5.1
73.02916	1.8
75.57455	1.1
75.82382	0.9
79.05493	37.7
81.03422	38.2
81.07056	82.9
83.04968	11.7
83.08615	8.4
85.02431	1.6
85.02908	20.1
85.06541	2.8
87.15689	1.0
91.05484	34.1
93.07046	61.0
95.04980	13.9
95.08607	60.0
97.02888	11.0
97.06535	9.4
97.10178	3.7
99.04453	6.8
105.04549	2.7
105.07032	52.2
105.79043	1.1
107.04961	26.6
107.08592	62.9
109.02131	2.2
109.02880	40.9
109.06509	4.9
109.10155	38.0
111.04445	18.1
111.08074	5.0
115.05456	1.6
117.07032	13.3
119.06076	1.2
119.08580	48.4
121.06522	2.7
121.10146	55.8
123.04410	2.0
123.08039	2.7
123.11712	11.5
125.05947	2.7
127.03921	54.3
129.07001	4.6
131.04898	3.2
131.08574	15.5
133.10141	24.4
135.08054	1.4
135.11696	33.6
137.13248	2.9
139.01971	1.0
143.08545	3.5
144.09363	2.8
145.04933	2.4
145.06502	5.9
145.10129	37.7
147.07997	1.3
147.11694	20.1
148.12050	1.2
149.05971	1.0
149.09647	6.6
149.13257	23.1
153.12769	8.4
155.08521	8.8
157.10161	1.7
158.10890	1.2
159.11694	22.9
161.09596	4.5
161.13258	19.3
163.03918	1.7
163.11180	38.4
163.14828	16.9
165.09085	1.8
171.11610	1.3
173.09636	25.2
173.13211	8.9
175.14815	10.7
177.16435	6.1
179.10696	1.5
181.12219	17.1
184.07434	1.1
187.14815	6.6
189.09045	1.5
189.16373	9.2
191.10654	29.8
191.17943	1.9
201.16376	8.7
203.18024	5.1
209.11725	37.0
209.13667	2.0
212.26350	1.0
215.17973	20.8
227.12787	64.3
228.13232	2.2
229.19643	1.6
231.21033	3.3
245.13788	2.4
251.12772	5.6
253.12242	2.1
257.11758	1.3
269.13885	4.7
271.13306	6.8
271.24231	26.2
281.11615	2.5
287.14609	1.1
289.14258	3.3
289.25256	3.6
299.12714	6.4
307.15463	2.4
317.13843	21.9
335.14874	46.5
336.15143	1.6
353.15945	100.0
354.16241	3.7
362.05557	1.2
371.16995	28.5
389.17993	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	874.5162
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	1.9
65.03946	4.8
67.05511	52.8
67.07829	1.1
69.03440	12.6
69.06747	1.2
69.07078	22.3
69.66332	5.3
69.66747	3.2
70.06578	1.4
71.04996	2.9
79.05497	47.6
81.02938	1.4
81.03426	41.9
81.07063	100.0
83.04994	13.4
83.08633	10.1
85.02909	8.9
85.06569	1.8
91.05489	42.8
93.07052	74.6
95.01372	2.2
95.04968	14.4
95.08615	74.9
97.02912	7.6
97.06527	10.3
97.10178	3.7
98.20760	2.6
98.21368	2.6
99.04447	5.4
103.05503	2.8
105.04562	1.9
105.07040	56.6
107.04966	25.1
107.08604	70.0
109.02892	30.6
109.06529	3.6
109.10168	60.2
109.10943	2.2
111.04459	16.9
111.08099	4.8
111.11721	3.3
117.07018	16.9
119.08592	68.5
121.06504	3.4
121.10155	66.8
123.04456	1.7
123.08013	1.6
123.11727	17.0
123.22127	1.6
125.02357	2.1
125.06006	2.2
127.03931	42.6
127.79298	1.3
129.07030	6.0
130.07835	1.8
131.04951	2.7
131.08582	21.7
133.10138	27.2
135.08078	3.3
135.11707	45.1
137.13248	2.0
143.08556	2.9
144.09402	1.7
145.06508	7.2
145.10135	40.6
147.08096	2.4
147.11691	28.2
149.09647	5.8
149.13260	28.1
153.12740	8.1
155.08562	7.9
157.10139	2.5
159.11699	28.9
161.09637	4.0
161.13269	27.0
163.11206	34.5
163.14830	23.3
173.06071	1.4
173.09645	22.5
173.13307	14.2
175.14838	20.9
177.16412	16.9
179.10699	1.7
181.12254	16.6
183.08076	1.5
183.11687	1.3
187.14828	9.2
189.09021	1.5
189.16423	11.2
191.10686	32.3
191.17941	1.7
201.16399	16.7
203.17926	7.0
209.11737	33.3
209.13673	2.2
215.17960	30.7
227.12796	45.4
229.19524	3.5
231.21051	1.6
243.21039	2.6
251.12741	4.3
253.12338	2.0
269.13876	4.2
269.22708	1.8
271.13290	6.8
271.24237	60.3
281.11652	2.6
289.14340	2.1
289.25284	2.2
299.12762	4.9
307.15451	1.9
317.13849	11.0
335.14920	25.5
353.15973	52.1
354.15942	1.6
361.25439	1.5
371.16989	13.5
379.26297	1.7
389.18054	2.1
421.35095	1.4
625.49207	1.4
641.40668	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	874.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	0.5
69.04549	1.8
70.02957	5.0
70.06592	42.3
71.06947	0.5
71.50101	0.5
72.04515	7.4
72.08156	33.9
74.02452	0.4
82.06612	1.9
83.04982	0.4
83.06099	1.4
84.04501	10.8
84.08143	6.1
85.02890	0.6
85.04025	2.7
86.09698	1.7
87.05579	1.2
91.05479	19.8
94.02910	0.8
96.08140	0.5
97.04009	1.4
98.02409	0.7
98.06072	0.9
99.05577	10.1
99.09241	1.8
100.07648	0.5
101.07133	1.7
107.04960	1.1
109.04013	1.3
109.06509	0.6
110.06049	1.2
110.07163	0.6
111.05569	9.2
111.09204	0.8
112.06353	0.3
114.09106	0.5
115.05066	2.4
116.03465	0.7
117.06641	1.0
118.06541	4.7
119.04939	11.6
120.08099	1.2
121.64072	0.4
123.05515	0.5
123.09154	0.5
125.03509	0.6
125.07105	0.8
126.05518	0.8
127.05029	4.7
127.08671	4.6
129.06572	5.8
129.10269	1.9
130.06525	19.3
132.08101	6.4
136.07579	100.0
137.03462	1.8
137.07910	1.7
139.04996	2.3
139.08664	6.2
141.10251	2.0
142.06531	3.5
143.04506	0.5
143.07329	1.5
144.08087	19.5
145.06096	2.0
145.07544	0.9
146.06009	15.0
146.09612	0.4
148.07565	1.5
151.08647	1.5
153.10233	1.4
154.06494	6.8
155.04517	5.8
155.08147	1.3
156.06818	1.0
156.08086	7.8
157.06105	3.3
157.07602	1.8
157.09706	2.6
158.06047	3.4
158.08430	4.4
158.09668	1.0
159.09181	16.4
160.07568	1.3
163.08620	0.6
164.07080	0.7
165.10234	0.5
166.06377	0.4
167.08258	2.9
168.08072	3.5
169.07610	31.4
169.09715	3.6
170.06012	35.2
170.08119	2.3
171.09172	19.9
171.11340	1.6
172.07565	1.0
172.09819	0.9
173.07130	1.4
173.10748	1.3
180.08072	0.4
180.11279	0.9
181.07672	3.2
181.09715	35.3
182.06007	11.3
182.08414	1.5
182.09836	0.7
183.04018	1.6
183.06625	0.5
183.09172	8.9
184.07472	2.0
184.10841	3.3
185.07111	4.7
185.09200	1.2
185.10684	0.7
186.05435	0.5
186.10281	2.3
187.08667	3.5
188.07071	25.8
191.08141	0.9
193.07751	0.8
193.09647	0.8
194.05997	0.5
195.07639	5.0
195.09224	2.8
196.07570	0.9
196.10977	0.9
197.07124	8.8
197.09335	1.5
198.05472	1.8
198.07845	1.7
198.10228	1.6
198.12230	0.8
199.08679	10.5
199.10597	0.5
199.12375	0.9
200.07042	2.1
202.08603	1.0
203.08269	0.7
205.09702	6.4
208.08723	1.2
208.10780	8.7
209.07108	4.3
209.09227	8.8
209.11063	0.7
210.07843	0.9
210.10190	1.1
210.12370	1.0
211.06677	0.8
211.08670	12.2
212.10291	1.4
213.06633	3.4
213.10219	1.9
213.13652	0.4
214.09621	0.4
215.08165	17.1
216.11343	0.9
217.09731	2.9
219.01808	0.5
221.07141	0.9
222.07890	0.5
222.10260	0.6
223.08797	2.4
223.12419	0.7
224.06789	0.5
224.10300	1.2
225.06586	1.8
225.10408	0.7
225.13860	2.2
226.09737	4.9
226.11885	20.5
227.08246	3.4
227.12079	0.6
228.06647	0.7
228.08974	0.7
228.11295	0.4
229.09702	3.4
232.10773	4.3
233.09225	0.5
235.08672	0.5
236.08153	1.1
236.10320	6.5
237.06625	1.7
237.13936	0.4
238.09694	1.9
239.08211	2.0
239.11844	0.7
240.06810	0.6
240.11255	2.3
240.15022	0.6
241.09735	1.5
241.13290	1.8
243.07652	1.0
244.08344	0.5
244.10710	0.4
244.12956	1.2
245.09204	0.8
245.12976	0.5
246.12338	0.8
250.09793	2.8
251.08136	2.7
251.11823	1.4
252.11386	0.5
252.14851	1.9
253.13284	7.9
254.09201	0.8
254.11360	10.9
254.13765	0.8
255.07681	2.6
256.10849	1.2
257.09195	1.1
260.07980	0.5
260.10321	1.1
261.08997	0.7
264.09760	3.8
266.09238	1.4
266.12830	0.7
267.07672	0.9
268.10849	1.7
268.14291	2.4
269.09335	0.9
269.12848	2.4
270.16043	1.7
271.14154	1.1
272.12531	0.8
273.13568	0.4
274.11935	0.9
277.10754	0.7
278.09329	1.7
278.12909	0.5
280.14447	5.0
281.12784	12.2
281.15845	0.8
282.10992	4.0
282.16043	0.9
284.10352	2.2
284.13940	3.5
286.11841	1.4
286.15088	0.4
290.15015	0.7
292.12625	3.3
294.12469	0.5
294.16147	0.6
295.11771	0.6
296.10596	0.7
296.13907	6.2
297.12543	0.8
298.15439	2.8
299.13504	4.2
301.12952	0.6
302.11200	0.6
305.10138	0.9
307.15466	1.0
308.13889	4.0
310.11880	3.8
310.15549	2.1
312.09799	0.9
312.13449	3.4
313.13058	0.6
314.14886	5.3
319.14001	1.5
320.14001	0.7
322.15543	0.9
323.11343	1.7
324.09744	0.9
324.13361	6.7
325.12967	0.8
325.16620	3.6
326.14993	4.7
331.13980	1.2
335.15018	2.7
336.13342	3.6
337.16711	0.5
338.14929	2.5
340.12973	2.7
341.12433	2.6
342.14420	3.2
344.16058	2.1
349.16318	0.9
350.15030	0.7
353.16092	10.2
354.14352	5.8
355.17606	0.6
356.15829	1.2
359.13425	2.2
361.16519	0.8
365.16364	0.5
367.17563	1.1
369.11871	0.9
371.17181	1.9
372.15390	2.6
376.16397	1.0
377.16132	1.5
378.19339	0.6
379.17758	0.7
381.15445	2.2
382.13943	12.5
383.17395	0.7
384.15686	1.1
385.18689	0.5
389.18237	6.3
394.18768	1.7
395.17236	2.1
396.20300	0.6
397.18613	1.0
399.16617	13.4
401.18210	0.5
404.17078	1.0
405.15631	0.6
407.17032	0.9
411.16641	0.6
412.19846	1.0
413.18100	0.8
414.21399	1.2
417.17767	1.0
422.18250	20.4
423.16550	2.4
424.19876	9.5
425.18469	1.6
430.20569	0.4
433.15140	0.5
440.19287	18.8
441.18707	1.6
442.20868	15.6
443.21048	0.5
450.17752	7.1
451.16315	1.4
457.17181	0.4
458.20462	7.9
459.20624	0.5
468.18811	65.1
469.18979	2.2
475.23065	1.8
485.21808	0.9
486.19830	67.7
487.20184	2.6
498.23282	0.8
503.22437	1.2
504.20749	0.8
555.25623	0.9
567.21417	0.5
583.25153	1.8
603.25940	0.6
631.25159	0.5
638.28809	0.6
642.28357	0.5
648.27600	0.9
666.28668	1.9
670.27863	0.7
702.31390	0.5
730.30121	0.6
810.35718	0.6
828.36505	0.8
846.36670	0.6
856.36279	3.1
874.37927	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5006
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	3.1
65.03930	3.4
67.05507	51.3
69.03432	16.0
69.06729	1.5
69.07070	21.1
70.06590	24.3
70.80806	1.5
70.81147	2.1
71.01323	1.5
71.04985	3.8
72.08147	1.4
73.02908	2.5
79.05496	40.4
80.05019	1.1
81.03421	30.3
81.07056	100.0
82.07388	1.2
83.04968	5.6
83.08150	1.8
83.08620	22.5
84.08154	1.8
85.02909	27.4
85.06516	1.3
86.09710	1.5
87.04454	1.6
90.45437	1.0
91.03969	1.6
91.05481	49.2
93.07047	74.2
95.04978	10.1
95.08608	72.8
97.02300	1.6
97.02893	24.1
97.06526	4.0
97.10179	5.5
99.00816	17.9
99.04451	4.5
99.08097	1.6
103.05439	2.8
105.04529	1.9
105.06316	2.5
105.07034	66.0
107.04952	8.3
107.08598	79.1
109.02880	33.5
109.06546	6.1
109.10159	59.4
111.04399	1.8
111.08054	5.8
111.11710	2.2
113.06007	1.4
113.07121	11.0
114.05553	2.3
115.03939	1.7
115.05478	1.7
115.08685	3.4
116.07082	1.9
117.07024	12.8
119.06081	1.4
119.08588	67.8
121.02802	1.5
121.06503	7.3
121.10147	52.1
123.04402	3.1
123.08073	2.6
123.11704	18.4
125.09628	1.6
127.03918	36.6
127.12562	1.2
128.06242	1.9
128.30583	1.2
129.06993	3.6
130.07788	1.7
131.08569	15.3
133.06505	3.0
133.10136	65.1
135.08095	1.6
135.11700	24.3
137.05991	1.8
137.09665	2.0
137.13264	4.4
139.07523	3.7
143.08545	7.0
144.09358	2.2
145.04941	4.0
145.09074	1.7
145.10133	23.7
147.08086	1.5
147.11696	27.0
149.13263	26.8
151.11188	15.4
157.10130	3.1
159.07672	27.3
159.11693	29.2
161.09613	27.5
161.13252	26.2
163.11140	1.8
163.14832	20.4
165.09018	1.8
171.08015	6.0
171.11674	2.7
173.13286	10.1
175.14810	17.8
176.10315	25.8
177.16379	9.6
179.10674	14.6
184.07367	1.4
185.13374	1.6
187.14810	9.3
189.09132	18.4
189.16400	10.1
191.17929	2.6
193.12277	1.8
197.11696	7.2
201.16414	11.3
203.17970	5.0
207.10234	8.9
213.16357	1.7
215.17961	27.8
225.11221	82.4
226.11549	1.8
229.19543	3.7
231.21077	3.2
243.12283	75.4
243.20912	1.6
244.12589	1.8
267.15875	2.7
271.24213	35.3
272.24432	1.1
289.25278	3.1
297.13257	2.5
303.18579	1.2
307.22662	4.4
315.14587	2.4
333.13223	4.6
344.66837	1.1
351.14413	11.5
369.15439	68.6
370.15808	3.3
387.16486	23.4
440.38962	1.0
499.34009	1.2
517.35303	1.3
692.44733	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	872.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	3.9
67.05505	48.1
69.03430	11.5
69.07070	21.2
69.07444	0.7
69.91856	0.9
69.92175	4.8
70.06583	3.5
71.04977	2.4
71.08610	1.1
73.02937	1.2
77.03932	1.4
79.05494	38.6
81.03422	32.0
81.07057	100.0
83.04973	3.0
83.08619	18.5
85.02911	8.1
85.06526	2.4
86.09721	0.9
91.05480	47.1
92.52195	0.9
93.07044	71.0
95.04978	7.7
95.08609	73.3
97.02291	1.3
97.02895	20.0
97.06512	3.6
97.10156	4.0
99.00207	1.7
99.00816	20.4
99.04453	4.6
101.23206	0.8
103.05405	1.9
105.04496	2.5
105.07035	68.8
107.04971	9.7
107.08597	79.3
108.08910	0.8
109.02885	32.0
109.06521	4.6
109.10159	58.6
111.04444	3.2
111.07401	0.9
111.08071	6.0
111.11706	1.9
113.07108	2.0
115.03936	2.6
115.05423	1.0
116.06242	0.9
117.07016	9.4
119.08585	70.8
121.02869	0.9
121.06499	6.3
121.10149	49.5
123.04385	2.4
123.08070	2.1
123.11706	22.8
127.03917	30.3
128.06212	2.3
129.06989	2.6
130.07710	1.1
131.08572	12.2
133.06482	1.5
133.10136	69.6
135.08029	1.1
135.10689	1.9
135.11693	26.4
135.12718	1.6
137.05978	1.2
137.09625	2.3
137.13284	2.1
139.07541	4.0
143.08572	8.3
144.09299	1.4
145.04953	3.4
145.10130	21.3
147.07965	1.1
147.10522	1.2
147.11691	30.3
149.13257	31.4
150.13594	1.1
151.11194	11.9
157.10138	2.6
159.07649	4.0
159.11693	29.2
161.08316	1.7
161.09631	29.3
161.13263	31.8
163.11147	2.0
163.13445	1.4
163.14827	25.1
165.09122	1.1
171.08069	7.4
171.11621	1.8
173.13260	11.9
174.14085	0.9
175.14824	16.6
176.10303	3.2
177.16394	16.0
179.10669	16.0
185.13197	1.4
187.14857	8.8
189.09119	15.8
189.16399	12.0
191.17978	2.4
197.11755	7.3
201.16377	16.2
203.17966	9.2
207.10161	10.4
215.17964	33.6
225.11218	76.9
226.11533	1.5
229.19463	4.5
243.12277	48.6
243.21136	2.7
244.12535	1.3
257.22934	1.2
267.15933	1.3
269.22595	2.6
271.24219	59.0
272.24451	1.0
289.25293	1.5
295.23981	0.9
297.13498	2.1
307.22433	1.3
333.13449	1.7
351.14270	4.9
369.15457	40.8
379.26514	1.4
387.16556	6.4
517.56409	1.0
602.97412	0.9
639.38428	1.0
692.44171	2.4
705.50757	0.9
786.85254	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	1.2
67.05508	10.8
68.05023	3.1
69.03430	8.5
69.07059	4.1
70.06593	13.0
71.05000	0.9
71.50549	1.4
72.08163	1.7
73.02918	1.0
79.05496	30.3
80.05027	7.3
80.27031	0.7
81.03419	11.3
81.07058	28.7
83.04964	1.9
83.08621	1.1
84.04502	2.2
84.08140	1.6
85.02905	3.7
86.09709	3.1
91.05487	16.1
93.07049	30.5
95.04974	7.8
95.08611	16.3
96.08139	1.2
97.02901	5.5
97.06567	4.2
97.10144	1.1
98.06061	22.7
99.04469	3.0
100.07650	0.8
104.10543	0.9
105.04507	1.4
105.07038	23.4
107.04960	7.0
107.08594	20.0
109.02886	4.3
109.06495	2.7
109.10162	11.2
111.08051	1.2
112.08758	1.9
116.07095	3.6
117.07023	4.4
119.08585	27.1
120.08142	1.3
121.06514	3.4
121.10145	22.2
123.04451	1.0
123.08060	2.8
123.11698	3.3
124.07604	8.1
125.05997	44.1
125.09629	1.3
126.09119	1.7
127.03944	1.8
129.05501	1.1
129.07010	1.9
129.10289	1.2
130.07823	0.9
131.08572	5.7
133.10121	12.0
134.10468	1.1
135.08054	2.5
135.11705	7.5
137.09596	1.9
141.06914	1.1
142.08641	100.0
143.08611	3.3
145.04938	1.1
145.10138	11.1
147.08078	1.7
147.11697	9.6
149.09628	3.9
149.13264	7.2
153.16002	0.8
155.08521	1.3
157.10133	4.6
159.08046	1.3
159.11699	10.7
160.09697	49.5
161.09697	2.1
161.13297	5.4
163.11171	1.7
163.14861	2.7
169.10126	3.7
169.13345	1.0
171.11720	3.4
173.09639	1.2
173.13290	4.5
175.11212	1.6
175.14772	2.8
175.26903	0.9
178.08624	0.9
183.11739	1.7
185.13293	2.9
187.11203	1.0
187.14832	4.1
189.12746	1.8
189.16356	3.4
197.13252	2.1
199.14824	2.1
201.16364	1.7
202.10718	0.9
203.14365	1.0
203.18065	1.6
206.08136	1.1
211.14850	1.7
213.16348	1.5
215.14212	1.3
217.15764	1.2
222.49216	0.9
225.16458	1.7
227.17975	2.3
229.15901	1.9
229.19557	2.4
232.09688	2.4
250.10793	2.4
257.22647	2.1
267.21164	2.1
283.20511	1.0
285.22266	4.1
393.24194	1.5
397.87451	1.0
411.25357	1.4
429.26407	3.2
443.89847	0.9
447.27451	4.9
538.30182	4.9
552.32953	2.7
570.34296	2.2
588.35358	11.3
606.36407	51.5
607.36157	2.1
872.42670	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	871.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	0.3
63.73009	0.2
65.03931	0.7
67.05510	6.1
68.99802	0.5
69.03438	2.1
69.07075	1.9
70.06590	0.4
71.04978	1.0
71.50726	0.4
76.95424	0.2
79.05500	5.8
81.03423	2.1
81.06592	0.4
81.07067	6.7
83.04972	0.6
83.08608	0.9
85.02914	2.8
85.07035	0.2
86.09705	0.4
87.04491	0.3
91.05483	4.7
93.06485	0.4
93.07053	6.4
93.16488	0.3
95.04961	1.0
95.08610	4.6
96.08926	0.2
97.02888	1.4
97.06528	0.4
97.10161	0.3
98.06033	0.3
98.10495	0.2
99.04476	0.3
103.05416	0.3
104.07076	0.3
105.07045	3.9
107.04964	0.9
107.08598	3.7
109.02879	0.5
109.06524	0.5
109.10158	2.2
111.00799	0.6
111.04444	0.6
111.08080	0.4
115.05495	0.5
117.07024	2.1
119.04890	0.3
119.08589	2.8
121.02879	3.8
121.06519	0.4
121.09343	0.3
121.10149	2.9
123.04326	0.2
123.08061	0.4
123.11681	0.8
125.00008	0.2
125.06007	0.3
125.09648	0.3
125.63163	0.2
127.03932	0.9
128.06195	0.4
129.07013	1.5
131.08578	2.6
133.02863	0.3
133.06483	0.4
133.10138	2.2
135.08035	0.4
135.11731	1.9
137.02356	0.9
137.09647	0.5
137.13281	0.3
141.06953	0.4
143.08569	1.3
145.06476	0.5
145.10127	2.3
147.04407	0.6
147.08064	0.3
147.11703	1.5
149.09607	0.5
149.13275	1.3
152.49298	0.2
153.01852	3.8
153.09093	0.3
155.08537	0.8
157.06479	0.7
157.10126	0.8
158.73773	0.2
159.11707	1.6
161.06023	0.3
161.09630	0.3
161.13306	1.1
163.14827	0.4
165.01851	2.0
167.08528	0.3
167.36099	0.3
171.04510	0.3
171.08089	0.6
171.11676	0.9
172.84337	0.2
173.09711	0.3
173.13292	1.1
175.11246	0.3
175.14745	0.3
177.12843	0.3
181.10072	0.3
183.02907	0.8
183.11674	0.7
184.07361	0.3
185.05994	0.6
185.09608	0.4
185.13301	0.6
187.11215	0.3
187.14812	0.5
189.16336	0.3
195.02911	0.2
195.11769	0.3
197.05992	0.4
197.13333	0.3
199.11192	0.3
199.14911	0.3
209.13249	0.3
211.11209	0.3
211.14777	0.3
213.05455	1.4
225.12833	0.3
231.06583	0.6
235.13234	0.2
239.14366	0.3
241.04971	0.6
243.21103	1.0
258.05255	1.1
259.05881	0.5
259.20572	0.4
261.22205	2.1
277.21704	0.3
283.06100	0.4
286.04736	0.4
287.05521	100.0
288.05844	2.5
289.21515	0.4
297.07602	0.2
299.05518	2.2
301.21579	0.5
303.19885	0.2
303.23184	0.6
311.05548	1.0
315.23233	0.4
319.22754	0.3
325.07120	0.9
327.23502	0.3
329.06564	5.1
335.25644	0.3
341.24744	0.3
351.23032	0.7
353.06570	2.4
369.24191	1.2
377.06467	0.4
387.25256	1.0
395.07581	2.0
405.26361	0.8
421.27466	0.3
423.27502	0.3
431.09760	1.0
439.28326	0.3
590.65753	0.2
598.99414	0.2
672.19116	0.2
691.30627	0.3
709.30695	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
64.38196	1.7
65.03944	2.0
66.16158	1.7
67.05506	36.3
67.98400	1.8
69.07056	7.9
70.06598	25.9
71.04998	4.9
71.50592	2.2
72.08154	3.6
79.05077	2.7
79.05498	36.6
81.03419	10.8
81.07061	32.9
83.04990	16.9
83.08640	2.6
84.04504	3.8
84.08144	4.5
85.02898	4.3
85.06529	3.3
85.47066	2.3
86.09714	10.5
91.05481	23.6
93.07053	31.9
95.01336	2.8
95.04984	16.5
95.08598	11.8
97.02935	1.8
97.06558	10.4
99.04460	2.4
99.08096	2.0
105.07051	6.9
105.51870	1.6
107.04964	39.7
107.08614	22.1
109.06540	3.8
109.10205	4.4
111.04446	23.5
111.08070	7.2
117.07021	13.8
119.08592	14.1
120.08084	2.4
121.06508	6.7
121.09333	2.5
121.10148	32.8
123.04440	3.3
123.08084	2.4
125.05993	3.0
129.07014	4.3
130.07774	2.7
131.04927	4.7
131.08591	10.2
133.10126	3.5
135.08075	3.1
135.11681	31.7
145.06503	9.6
145.09061	3.1
145.10138	40.4
147.08023	3.0
147.11671	2.4
149.09647	8.3
153.06935	2.1
153.12729	9.7
155.08589	14.2
163.11194	50.9
173.09631	30.0
181.12222	15.1
191.10655	15.4
209.11772	14.9
227.12779	19.0
229.15587	1.9
262.97528	1.9
265.14362	100.0
283.15424	61.7
301.16458	56.2
445.25955	3.2
473.25458	27.8
477.90445	1.9
491.26447	44.4
509.27371	25.9
527.20917	3.7
527.28571	74.7
528.28705	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	866.5683
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	0.8
67.05508	9.8
69.03428	4.4
69.07069	30.1
69.30565	1.2
69.30973	4.4
70.06592	2.8
71.05000	1.3
71.08620	2.5
72.08144	1.4
73.02915	2.2
73.06561	7.7
74.09707	0.8
74.93948	0.5
79.05503	3.4
81.03419	1.6
81.07061	16.5
83.08623	13.8
84.04501	0.7
85.02905	9.3
85.10197	2.8
86.09722	1.3
87.04473	11.3
89.06033	100.0
91.05485	2.7
91.07588	0.9
93.07056	4.4
95.04985	0.7
95.06121	0.7
95.08611	16.1
97.02901	4.1
97.03424	0.7
97.09550	1.2
97.10172	21.2
97.75208	0.5
105.07029	2.1
107.07058	2.8
107.08595	4.5
109.02891	2.1
109.10164	10.2
111.11725	13.1
115.03883	0.7
117.07059	0.6
117.09131	7.3
119.08579	2.8
121.10132	3.1
123.11716	4.7
124.79356	0.6
125.13264	1.5
127.03925	2.5
131.07045	5.1
133.08609	62.2
133.10194	1.8
134.08975	0.7
135.11708	2.0
136.06161	1.6
137.13290	1.6
145.04985	1.6
145.10141	1.6
147.11705	2.3
149.13254	1.5
151.09698	1.5
151.14799	0.7
157.09949	0.8
159.11681	1.7
161.11720	2.4
161.13168	1.4
163.14841	1.4
175.09703	3.6
175.14830	0.6
177.11226	30.3
183.02884	0.8
187.14911	1.0
195.12302	1.1
203.17986	0.8
215.17955	2.2
219.12483	1.1
221.13829	7.9
223.15425	0.8
239.14993	1.7
246.77684	0.6
255.23203	10.9
265.16400	3.2
271.24249	2.5
283.17462	2.8
299.25809	8.8
309.19019	2.8
312.29153	0.8
317.26855	0.9
327.20178	1.8
345.08112	1.0
353.21979	1.5
361.29370	0.8
363.09454	0.8
371.22977	0.8
397.24323	1.2
405.32233	1.8
436.04895	0.6
449.34534	1.4
459.28152	0.9
493.37024	0.7
494.65488	0.8
503.30896	4.9
537.39539	0.7
581.43109	0.8
625.45374	1.1
669.47705	17.0
670.48047	1.0
687.48816	1.5
743.70081	0.7
768.13593	0.6
835.32440	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	862.6462
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05524	0.5
69.07075	4.6
71.05013	0.5
71.08638	27.4
72.78999	0.4
73.02917	1.9
73.06563	10.8
73.06969	0.5
75.59414	0.4
81.07061	0.6
83.08623	5.2
85.10190	19.4
87.04475	14.8
89.06038	100.0
90.06375	0.5
91.07599	0.9
95.08606	0.7
97.10185	6.0
99.11739	2.5
107.07078	2.2
111.11742	2.3
113.06025	0.6
113.13296	1.3
114.09167	0.5
115.07585	0.4
117.09147	11.1
125.13286	1.9
127.14858	1.1
130.08632	2.6
131.07074	4.5
133.08614	53.3
134.08899	0.6
135.10175	1.2
136.25935	0.4
139.14804	1.1
141.16393	0.9
155.17921	0.7
161.11772	2.4
161.12863	0.4
169.19490	0.5
175.09674	2.7
177.11241	21.3
178.11697	0.4
184.07320	1.2
211.24243	2.0
219.12288	0.7
221.13876	3.9
223.15410	0.6
239.14944	1.0
255.26871	1.4
265.16437	1.3
267.17902	0.5
283.17343	0.6
299.26193	0.3
299.29465	5.7
309.18982	0.8
327.20050	0.5
329.57187	0.5
343.32239	2.2
353.21857	0.5
548.79645	0.4
635.38251	0.5
809.91840	0.4
845.60986	1.4
862.64368	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	862.5674
Annotation	Unknow
Peak:m/z	Relative Intensity
61.36679	0.3
67.46864	0.2
68.05042	0.3
70.06593	72.0
70.26479	0.3
81.07045	0.3
92.75237	0.3
109.16924	0.3
110.25982	0.3
115.08675	0.7
116.07093	100.0
117.07433	0.6
170.51050	0.3
184.07294	0.4
188.36386	0.3
227.43690	0.3
257.37720	0.3
384.48361	0.3
407.39246	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4609
Annotation	Unknow
Peak:m/z	Relative Intensity
62.23334	0.4
67.05524	1.0
69.07067	0.6
70.06590	1.5
71.51110	0.6
75.28149	0.4
79.05494	0.9
81.07074	1.4
84.04500	1.0
85.02914	0.7
86.09727	0.9
91.05493	1.1
93.07072	1.3
95.08643	0.6
105.07053	0.6
106.00300	1.6
107.08617	0.8
109.10151	0.7
119.08589	0.5
121.10190	0.5
133.10147	0.5
136.06233	0.9
141.05219	0.7
165.20857	0.4
165.22299	0.5
184.07433	1.2
185.04257	0.7
204.11322	1.1
249.10974	7.0
250.48674	0.4
261.62622	0.4
291.12067	0.7
321.13327	0.7
339.50745	0.5
347.14804	0.8
351.14297	1.3
351.18549	0.4
365.15753	2.9
375.14163	2.6
393.15222	7.4
409.14722	16.7
411.16199	2.5
566.03949	0.5
681.39764	7.3
683.41290	23.2
684.41943	0.9
716.48529	0.5
861.46057	100.0
862.46490	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	861.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	0.7
65.03938	1.8
67.05511	13.7
68.05042	1.1
69.03426	5.9
69.07069	3.3
70.06596	38.3
70.18282	2.8
71.01352	1.5
71.06891	0.9
72.04497	1.1
72.08159	68.9
72.99874	0.8
73.02919	1.0
73.06561	13.9
79.05499	10.1
80.04997	1.2
81.03422	6.3
81.07058	24.6
82.02957	1.2
82.06573	2.8
83.04973	2.7
83.08619	1.7
84.04497	1.7
84.08147	5.3
85.02903	11.2
86.09712	2.1
87.04443	0.7
88.04003	1.4
89.02391	1.1
89.10801	4.6
91.05489	14.2
93.06482	1.5
93.07047	22.3
95.04964	3.3
95.06102	1.0
95.08608	16.1
96.04490	1.4
97.02898	5.7
97.10176	0.8
98.02430	6.5
98.06024	2.0
99.04451	0.9
99.09235	1.8
100.03973	2.9
100.07601	1.2
103.03960	1.3
103.05473	1.4
105.04529	1.5
105.07034	17.9
107.08597	23.5
108.04503	3.8
109.02890	5.3
109.06503	0.9
109.10169	11.1
109.10867	1.4
110.02410	25.1
110.06049	10.0
110.09682	1.3
111.04449	2.2
112.07589	1.7
112.08738	2.7
114.09171	21.0
114.09976	1.1
116.03460	15.8
116.07095	4.0
117.07011	2.2
119.08583	13.5
120.08112	1.8
121.10153	11.1
122.06028	1.3
123.11718	2.9
124.07571	2.2
126.05544	3.4
126.09147	2.0
127.03927	5.5
127.08684	7.6
128.03444	6.4
128.07086	5.4
131.08575	2.6
133.10150	6.6
135.11751	4.6
136.07544	1.3
137.10764	0.7
138.09146	3.1
140.07030	1.1
141.01825	0.8
141.10217	3.5
142.01378	2.9
142.08652	1.8
145.04977	1.5
145.09851	4.7
147.11705	6.5
149.13254	3.3
150.05490	1.3
150.09143	2.9
151.08731	1.2
152.07068	24.3
152.10692	1.7
154.01332	2.4
159.11757	5.0
161.13310	3.8
162.09140	4.5
163.14799	3.0
165.10274	1.6
168.06563	2.3
169.09714	6.6
170.06757	1.5
170.08144	23.7
172.06105	0.9
173.13272	0.9
175.14789	1.6
177.10284	2.4
177.16351	1.3
180.10182	11.2
186.07629	2.7
187.10777	12.6
187.14864	1.2
188.09215	10.0
189.16438	1.7
189.74770	0.8
195.07642	2.5
196.06046	8.6
197.12827	1.9
198.11290	5.4
201.16385	1.5
203.17859	1.1
205.11812	2.5
207.11299	4.6
211.10719	2.1
213.08698	10.9
215.18004	2.7
223.10852	1.8
229.11810	4.1
230.10207	4.4
231.09808	3.1
247.12878	6.2
247.76939	0.7
253.11852	1.4
271.24255	1.8
273.10925	1.3
277.11850	3.0
289.14114	1.1
290.12228	1.0
291.11969	2.9
295.12888	7.2
307.14902	1.1
313.13931	43.2
314.12210	1.4
321.10815	2.4
331.15012	15.0
332.13455	1.8
334.99146	0.7
339.11868	1.8
341.92188	0.9
349.16061	27.9
352.17758	0.8
357.12961	7.0
367.17151	36.8
368.17059	1.3
375.13913	5.0
378.32645	0.7
393.15076	22.3
411.16098	100.0
412.16531	3.1
488.86563	0.9
488.94452	0.8
573.21143	0.9
619.39661	1.8
637.40540	16.8
681.39569	25.8
681.51575	1.2
682.39850	1.8
699.40277	2.6
799.46039	1.6
817.46533	5.5
861.45807	7.0
862.45898	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4602
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	0.9
67.05511	10.3
69.03447	4.8
69.07086	3.8
70.02963	0.7
70.03696	3.0
70.06599	28.0
71.01361	0.9
71.05015	1.0
72.08164	62.6
73.02895	0.8
73.06565	9.0
79.05494	10.6
80.05021	1.3
81.03430	4.7
81.07064	22.8
81.67755	0.6
82.06580	2.1
83.04987	2.4
83.07381	0.8
83.08606	0.8
84.04543	0.8
84.08154	4.1
85.02921	9.3
89.10803	5.7
91.04971	1.0
91.05492	11.7
93.06481	1.2
93.07053	20.4
95.04984	3.3
95.08615	15.2
96.04485	1.1
97.02898	3.3
97.10153	0.7
98.02416	5.6
98.06065	1.8
99.00803	0.8
99.04474	1.3
99.09233	1.4
100.03987	1.8
103.03963	0.7
103.05494	1.1
105.04555	0.8
105.07048	15.2
106.06529	0.7
107.08605	20.7
108.04499	3.4
109.02887	4.8
109.10161	9.3
110.02413	21.0
110.06062	8.0
110.09705	0.9
111.04439	1.6
112.08692	0.7
114.09177	13.2
116.03465	13.2
117.07022	1.8
119.06115	0.7
119.08588	12.1
121.10165	8.8
123.11734	2.1
124.00311	0.8
124.07603	2.5
126.01860	1.1
126.05527	2.6
126.09219	1.5
127.03912	4.2
127.08683	5.8
128.03432	4.7
128.07101	3.4
131.08577	2.0
133.10115	4.6
134.09641	0.9
135.11681	4.4
136.07608	1.5
137.98262	0.6
138.05539	0.6
138.09172	2.7
140.07056	0.8
141.10231	1.8
142.01369	5.4
142.08672	1.4
144.06598	0.9
145.04951	1.5
145.09970	3.9
146.04478	0.7
147.11703	4.9
149.07106	1.5
149.13271	3.6
150.05557	0.8
150.09134	3.1
151.08678	1.8
152.07080	20.2
152.10713	1.6
154.01378	6.5
159.11642	3.9
161.13327	3.1
162.09222	3.2
162.10330	0.6
163.14851	2.7
165.10294	1.9
168.06563	2.0
169.09695	7.3
170.08136	19.6
173.13303	1.0
175.14847	1.9
177.10275	1.3
177.16411	0.8
178.05043	1.0
179.11821	0.9
180.10199	8.8
186.07674	1.7
187.10806	8.1
187.14748	0.7
188.09189	8.1
189.16428	1.3
195.07686	6.0
196.06071	18.0
197.12929	0.8
198.11252	3.7
201.16504	0.9
203.18034	0.8
205.11858	1.9
207.11345	3.5
211.10732	1.9
213.08733	26.4
214.07092	0.7
215.17950	1.9
223.10762	1.3
224.28494	0.6
229.11787	3.6
230.10289	2.4
231.09782	12.2
235.10847	1.2
237.08746	2.4
247.12920	3.7
253.11929	1.5
255.09880	2.5
268.11716	0.7
271.13028	0.8
271.24261	2.0
273.10809	1.6
277.11850	2.9
289.13864	1.5
291.11942	1.9
295.12839	6.0
297.38303	0.6
313.13947	28.4
314.12091	1.1
321.10880	4.8
331.15042	8.8
332.13412	1.1
339.11810	4.7
349.16086	15.2
357.12949	13.3
367.17154	17.8
367.21487	1.3
375.14005	13.1
393.15073	33.1
394.15549	1.3
411.16135	100.0
412.16504	2.8
619.39587	0.8
637.40759	8.3
663.38947	4.3
681.39612	24.9
682.39746	2.0
699.40161	2.6
817.46405	2.4
843.44214	2.8
853.45667	0.8
861.46136	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	860.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.75956	0.2
60.60011	0.1
61.02929	1.7
65.03947	0.3
67.05505	5.1
69.03418	0.8
69.07065	1.3
70.57441	0.3
70.57779	0.3
71.01365	0.2
71.04968	0.4
73.02898	0.5
73.04156	0.2
79.05493	4.3
81.03419	6.7
81.07056	5.1
82.94000	0.2
83.04957	0.5
83.08624	1.6
85.02914	1.5
86.09695	0.3
91.03951	0.5
91.05485	3.3
92.70653	0.2
93.07043	3.9
95.04956	2.3
95.08611	3.5
97.02899	1.3
97.06538	0.2
97.10146	0.3
98.56789	0.2
101.02371	0.2
105.04529	0.2
105.07036	2.4
105.07718	0.3
107.04926	0.4
107.08607	1.7
109.02914	0.2
109.05116	0.2
109.06516	0.4
109.10149	1.2
111.08058	0.7
115.05411	0.2
117.07030	0.5
119.03530	1.5
119.08580	2.0
121.06492	0.3
121.10144	1.7
123.11687	0.3
127.03893	0.2
129.07001	0.8
131.08583	1.3
133.06477	0.2
133.10162	0.8
134.48032	0.2
135.11664	0.6
136.06184	100.0
137.04604	1.1
137.06516	0.6
142.07693	0.2
145.10106	0.5
147.08055	0.2
147.11678	0.7
148.06148	0.2
149.09631	0.5
149.13245	0.4
152.05453	0.2
157.10112	0.7
159.11743	0.3
161.13326	0.3
163.14810	0.2
173.13405	0.2
174.07825	0.2
175.11198	0.9
178.07315	0.3
184.07396	0.8
192.08846	0.4
193.12216	2.3
203.03087	0.2
211.13255	0.3
261.22235	0.6
267.15912	4.0
267.18594	0.3
278.32401	0.2
328.17764	0.3
335.25775	3.8
335.29407	0.3
346.18756	1.0
348.07916	0.2
420.22574	0.4
508.24493	0.3
527.37268	1.0
545.38416	0.6
629.44568	0.2
680.43756	5.7
681.44067	0.2
698.44855	15.1
699.45245	0.5
842.49072	3.0
860.50085	6.5
861.50482	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.5017
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	0.9
61.90266	0.1
63.98933	0.1
65.03934	0.2
67.05510	2.6
67.05872	0.1
69.03424	0.4
69.07072	0.6
70.06586	0.2
71.01353	0.1
71.04980	0.2
73.02912	0.4
79.05499	2.2
81.03423	5.2
81.07056	2.3
83.04982	0.3
83.08624	1.2
85.02905	0.8
86.09710	0.1
89.91455	0.1
91.03954	0.3
91.05484	2.1
92.02479	0.1
93.07046	2.4
94.04098	0.1
95.04979	1.6
95.08618	1.7
97.02908	0.8
97.06561	0.2
97.10165	0.3
98.21548	0.2
105.04574	0.1
105.07038	1.2
107.04956	0.3
107.08616	1.3
109.05118	0.1
109.06522	0.2
109.10172	0.6
111.08071	0.3
115.05447	0.1
117.07063	0.3
119.03558	1.5
119.08595	1.1
120.20850	0.1
121.06499	0.2
121.10155	1.1
123.08073	0.1
123.11700	0.3
125.00061	0.1
129.07013	0.6
131.08575	0.7
133.06476	0.1
133.10138	0.5
135.11674	0.5
136.06194	100.0
137.04626	1.1
137.06660	0.6
142.07779	0.2
145.10133	0.3
147.08040	0.2
147.11684	0.5
149.09662	0.3
149.13269	0.2
157.10101	0.5
159.11731	0.3
161.13300	0.1
173.13290	0.2
175.11224	0.5
178.07291	0.2
184.07373	0.6
193.12253	1.2
211.13268	0.2
228.99023	0.1
261.22205	0.7
261.28482	0.1
267.15918	4.2
335.22119	0.1
335.25806	2.9
338.16666	0.1
338.45340	0.1
359.42023	0.1
366.01212	0.1
404.42148	0.1
420.22501	0.2
440.61972	0.1
527.37317	1.4
545.38263	0.6
646.31946	0.1
674.49738	0.1
680.44025	1.5
681.44836	0.1
698.44867	3.5
699.45099	0.2
842.49042	1.3
846.73285	0.1
860.50140	2.1
861.50385	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.5023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.70205	0.1
61.02927	1.1
65.03944	0.2
67.05506	3.2
69.03431	0.6
69.07066	0.7
70.06594	0.1
71.04984	0.2
71.50591	0.1
71.50993	0.1
73.02923	0.5
73.48524	0.1
77.03915	0.1
79.05494	2.8
81.03419	4.8
81.06585	0.2
81.07054	2.9
81.07531	0.1
83.04980	0.3
83.08624	1.3
85.02911	0.8
85.06536	0.1
86.09705	0.2
91.03968	0.4
91.05486	2.3
92.02488	0.1
93.07049	2.6
94.04082	0.1
95.04975	1.4
95.08611	2.0
95.09175	0.1
97.02893	0.9
97.10172	0.2
101.02406	0.1
103.05466	0.1
105.04475	0.1
105.07040	1.3
107.04967	0.3
107.08610	1.3
109.05117	0.1
109.06512	0.3
109.10175	0.7
111.04445	0.1
111.08105	0.4
115.05488	0.1
117.07034	0.3
119.03562	1.3
119.08596	1.2
121.06509	0.2
121.10149	1.3
123.08047	0.1
123.11705	0.3
125.09597	0.1
127.03938	0.2
129.07005	0.6
131.08572	0.9
133.06479	0.2
133.10139	0.5
135.11685	0.5
136.06189	100.0
137.04630	1.0
137.06654	0.7
137.09607	0.1
137.13211	0.1
142.07793	0.1
145.10141	0.3
147.08104	0.2
147.11668	0.6
149.09648	0.3
149.13280	0.3
157.10123	0.4
158.77733	0.1
159.11678	0.2
161.04642	0.1
161.13269	0.2
163.11166	0.1
163.14787	0.1
165.12740	0.2
173.13264	0.2
174.07828	0.1
175.11180	0.7
175.14798	0.1
178.07208	0.2
184.07387	0.5
187.14767	0.1
189.11296	0.1
193.12242	1.4
211.13339	0.2
213.13034	0.1
225.83650	0.1
243.21085	0.2
249.14922	0.1
261.22119	1.0
267.15927	4.2
298.11368	0.2
335.25827	3.7
420.22287	0.1
453.33627	0.2
527.37335	1.4
529.82404	0.1
545.38599	0.8
558.39136	0.1
564.14453	0.1
680.43787	1.7
681.43787	0.1
698.44879	4.3
699.44800	0.2
724.16071	0.1
808.78320	0.1
842.49219	1.2
843.48749	0.1
860.49945	2.3
861.49646	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.5019
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02942	1.4
61.81894	0.1
65.03928	0.2
67.05512	4.0
69.03430	0.7
69.07066	0.8
70.06572	0.1
70.72121	0.4
71.04991	0.3
73.02902	0.6
73.64267	0.1
79.05498	3.4
79.46450	0.1
81.03421	7.0
81.06589	0.3
81.07059	4.2
81.07528	0.2
82.88089	0.1
83.04967	0.4
83.08623	1.5
85.02914	1.2
85.06568	0.2
86.09709	0.2
91.03973	0.6
91.05489	3.0
92.02477	0.2
93.07050	3.1
94.04066	0.2
95.04977	2.5
95.08616	2.5
97.02894	1.4
97.06503	0.3
97.10143	0.3
99.08114	0.2
101.02392	0.2
105.07041	2.0
107.04958	0.4
107.08601	1.6
109.02882	0.2
109.05136	0.1
109.06506	0.3
109.10165	0.9
111.08092	0.5
115.05424	0.2
117.07011	0.6
119.03557	1.4
119.08602	1.7
121.10155	1.4
123.08047	0.3
123.11694	0.3
125.00043	0.2
125.09738	0.1
127.03906	0.2
128.06230	0.2
129.06995	0.8
131.08577	1.1
133.06491	0.2
133.10135	1.0
135.11655	0.8
136.06194	100.0
137.04646	1.0
137.06680	0.8
145.10129	0.4
147.08063	0.2
147.11691	0.9
149.09641	0.4
149.13295	0.3
157.10178	0.9
159.11716	0.3
162.07678	0.1
165.12784	0.2
173.13310	0.3
174.07758	0.2
175.11168	0.9
178.07257	0.4
184.07367	0.7
192.08768	0.2
193.12245	2.2
193.13869	0.2
210.09964	0.2
211.13268	0.2
222.38234	0.1
261.22150	0.7
267.15952	3.5
268.16577	0.2
283.31799	0.2
290.44940	0.2
335.25778	3.1
336.26108	0.2
346.18759	0.6
420.22473	0.7
438.23608	0.2
453.33420	0.1
509.03232	0.2
527.37384	1.0
540.00391	0.1
545.38849	0.4
606.88562	0.1
680.35052	0.1
680.43848	4.5
698.44891	12.8
699.44983	0.9
842.49207	1.8
860.50110	4.8
861.50293	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04259	1.0
60.04530	10.7
69.04550	1.1
70.02942	3.9
70.06595	32.5
70.15124	1.0
70.15466	2.1
72.04527	4.8
72.08157	29.7
72.57198	0.7
73.93442	0.8
82.06588	1.7
83.06132	1.2
84.04506	7.8
84.08147	4.0
85.04034	2.3
86.09683	1.0
91.05485	1.2
93.07034	1.8
97.03995	1.6
99.05584	6.7
99.09177	1.6
101.07144	1.0
103.05466	6.0
111.05558	7.7
111.09099	0.7
115.05080	2.8
118.06548	2.9
120.08109	100.0
121.08425	1.8
127.05027	2.6
127.08669	4.5
129.06638	3.9
129.10242	1.1
130.06529	16.8
132.08086	6.6
137.03432	1.6
139.04994	1.3
139.08681	4.5
141.10231	1.4
142.06528	2.8
144.08093	14.5
145.06113	2.6
146.04869	0.8
146.06012	11.9
151.08601	0.9
153.10252	1.7
154.06502	5.3
155.04506	5.2
155.05623	0.8
155.08192	1.6
156.08058	6.0
157.06113	2.1
157.07597	1.3
157.09752	2.1
158.06029	2.9
158.08479	3.4
158.09567	1.2
159.09172	14.5
160.07581	1.4
165.10249	23.1
167.08171	3.2
168.08124	2.6
169.07614	25.4
169.09715	3.6
170.06018	29.6
170.08363	1.6
171.09169	16.8
171.10767	1.0
171.11327	1.7
172.07545	1.7
172.10017	0.7
173.10797	0.9
175.08717	1.4
180.11295	0.9
181.07693	2.6
181.09740	10.7
182.06029	8.9
182.08368	1.5
183.04024	1.5
183.09209	9.3
184.07483	1.9
184.10849	3.0
185.07109	3.5
185.09254	0.8
185.10793	1.2
186.10313	1.3
187.08698	2.5
188.07074	20.9
193.07648	0.8
195.07645	5.2
195.09235	3.5
196.07672	0.8
197.07138	6.6
197.09131	1.5
198.05563	1.5
198.10318	1.2
199.08679	12.3
199.10524	1.4
200.07086	1.5
201.13907	0.8
205.09746	5.6
205.70131	0.7
207.09326	0.7
208.08907	1.3
208.10815	6.7
209.07127	3.0
209.09256	8.7
211.08682	9.9
213.06696	3.4
213.10304	1.8
215.08177	16.9
216.11342	1.0
217.09772	2.3
221.07082	1.2
222.10185	1.0
223.08675	2.7
225.06586	1.4
225.13885	1.8
226.09772	3.8
226.11848	20.6
227.08163	2.7
227.12160	1.2
228.06493	1.2
229.09764	3.1
229.13419	1.0
232.10837	3.7
236.08200	1.3
236.10356	6.3
237.06630	1.4
237.13806	0.8
238.09819	1.8
239.08151	1.8
240.11311	1.7
241.09824	1.2
241.13319	1.6
243.07690	0.9
244.12990	1.1
245.09277	1.0
250.09779	2.3
251.08170	2.1
251.11835	1.8
252.15077	1.7
253.13237	6.6
254.09132	1.3
254.11354	9.7
255.07695	2.1
256.10892	0.7
257.09155	1.2
260.10464	1.7
261.08737	1.0
264.09851	2.3
266.09299	1.6
268.10809	2.5
268.14487	2.0
269.12933	2.2
270.16055	1.7
274.11819	1.2
280.14423	4.7
281.12738	10.9
281.15469	1.1
282.10962	2.9
282.12991	1.0
284.10675	0.9
284.13977	2.1
284.17023	0.7
286.11871	1.9
286.15417	0.9
292.13013	2.9
296.10699	1.2
296.14044	3.9
298.15482	3.2
299.13458	3.4
308.13782	3.3
310.11920	3.1
310.15463	1.8
312.09918	1.2
312.13477	2.1
314.14978	5.3
319.14069	2.0
323.11499	1.1
324.13370	4.9
325.16611	2.4
326.14859	4.9
328.16675	2.5
331.13962	1.0
335.15115	1.9
336.13400	2.5
338.14899	1.6
340.12906	3.4
341.12463	2.0
342.14481	2.9
349.16364	1.0
353.16092	8.2
354.14508	6.2
356.16049	2.4
359.13455	1.7
359.17462	0.9
367.17725	1.1
369.11780	1.2
369.15985	0.9
371.17255	1.6
373.18655	7.1
377.15961	1.2
379.17773	1.3
381.15826	1.5
382.13931	10.6
383.17041	2.1
384.16064	0.8
385.18921	1.2
394.18851	2.0
395.17041	1.9
399.16577	11.3
404.17249	1.1
405.15909	1.2
407.17422	1.2
412.19638	1.0
413.18115	1.0
414.21350	1.5
417.17606	1.3
422.18246	21.2
423.17209	1.4
424.19910	10.5
425.18222	1.4
433.15759	0.8
440.19357	19.7
441.18420	1.6
442.20886	16.6
443.21472	0.8
446.20798	1.0
450.17709	6.0
451.16418	1.3
458.20410	9.8
468.18832	66.7
469.18680	2.6
475.23071	1.2
482.23804	1.0
485.21896	1.0
486.19873	67.8
487.19998	3.7
504.20828	1.4
510.23526	0.8
539.26227	1.1
567.25519	1.5
632.28302	0.9
650.29285	1.9
840.36420	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	856.5055
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	0.8
65.03932	0.9
67.05509	9.3
69.03429	1.5
69.06728	0.4
69.07072	5.3
69.83283	1.1
70.06573	0.4
71.01350	0.2
71.04992	1.3
71.08621	0.2
73.02908	0.7
73.16077	0.2
75.53728	0.2
77.03903	0.3
79.05496	10.6
80.74223	0.2
81.03424	6.0
81.07060	18.2
83.04976	1.0
83.08623	4.9
85.02916	2.2
91.03951	1.0
91.05481	5.9
93.07049	19.0
95.04970	2.8
95.08611	24.2
97.02895	3.2
97.06534	1.1
97.10162	1.0
98.20802	0.3
99.04456	2.7
103.05465	0.3
105.04528	0.4
105.07034	9.4
107.04958	3.1
107.08599	18.8
108.08930	0.4
109.02886	6.3
109.06533	1.0
109.10160	9.8
111.04432	0.7
111.08091	0.4
113.06000	0.3
115.05456	0.3
117.07036	3.3
119.08589	12.4
121.05717	0.3
121.06482	1.9
121.10149	13.2
123.11700	3.1
125.06026	1.5
127.03920	8.7
129.07030	0.4
130.07803	0.7
131.08569	2.4
133.10138	4.3
135.08095	1.1
135.11696	24.7
136.12056	0.6
137.13254	0.9
139.07535	0.6
143.08580	0.8
143.49118	0.2
144.09308	0.3
145.04955	0.7
145.10127	14.3
147.11690	4.7
149.13269	4.2
153.12697	0.4
157.10214	0.3
159.11699	4.2
161.13245	4.8
163.06029	1.0
163.11188	29.0
163.14821	4.2
164.11510	0.5
173.09615	0.4
173.13260	2.2
175.14825	3.2
177.16353	2.0
181.12248	5.8
184.07387	0.6
187.14845	1.6
189.16374	2.0
191.14230	0.3
191.17932	0.3
201.16426	2.4
203.17949	1.1
209.11674	3.1
211.14838	0.3
215.17967	4.8
227.12790	100.0
228.13155	1.8
229.19514	0.8
239.87431	0.3
243.21123	0.7
261.22205	1.3
269.13861	0.7
271.24216	10.2
272.24646	0.4
281.13870	1.7
305.13974	0.6
317.13370	0.4
335.14841	3.1
335.25882	0.6
353.15958	12.1
353.26935	0.9
354.16327	0.3
361.25351	0.3
371.16986	1.8
379.26404	0.4
532.92786	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	1.2
65.03923	0.4
67.05191	0.5
67.05511	5.7
68.05022	0.5
69.03435	2.7
69.07076	2.1
70.02539	0.8
70.02938	0.5
71.04982	0.7
73.02905	0.7
79.05500	5.5
81.03433	3.9
81.04548	0.8
81.06602	0.6
81.07061	10.1
82.05319	0.5
83.04993	0.4
83.06111	4.6
83.08619	0.9
85.02910	5.7
88.39457	0.3
91.03938	0.4
91.05487	4.0
93.04551	2.2
93.06492	0.5
93.07052	7.8
95.04980	1.1
95.05611	0.4
95.06104	4.5
95.08620	7.0
95.09187	0.3
97.02894	5.2
97.10153	0.5
99.04452	0.8
103.05470	4.2
105.04560	0.3
105.06403	0.4
105.07040	5.4
107.06081	0.5
107.08605	7.2
109.02888	5.5
109.06477	0.5
109.10162	4.9
110.07178	25.8
111.05561	1.2
112.08718	1.0
117.07012	0.9
119.08580	5.5
121.10144	5.9
123.11720	1.7
127.03931	7.9
129.06953	0.3
131.04938	12.3
131.08572	1.4
133.10144	2.9
135.11691	2.5
145.04980	2.9
145.10143	1.9
147.11684	2.6
149.13249	3.1
154.09833	0.4
156.07693	4.6
157.10127	0.5
159.04424	100.0
159.11705	3.4
160.04761	1.5
161.13268	2.2
163.14874	1.6
165.12820	0.3
173.13240	1.1
175.14812	1.7
177.16286	0.9
187.03915	5.4
187.14864	0.9
189.16460	0.9
201.16386	1.0
203.18047	0.7
205.04979	37.6
206.05342	0.9
215.17993	2.1
223.05977	0.4
229.19514	0.5
231.20930	0.4
247.06151	1.1
267.06516	1.1
271.24246	4.3
275.17606	0.4
277.07126	1.0
284.17599	0.7
295.06067	1.6
301.19766	0.3
302.18689	1.2
303.17142	0.4
307.22745	2.3
307.25912	0.3
313.07062	2.6
320.19724	1.4
331.08160	13.4
332.08539	0.4
338.20770	2.3
349.09216	8.1
349.13370	0.5
367.10355	1.1
384.21329	0.6
394.23737	0.8
412.24319	1.4
458.25174	1.0
507.95718	0.4
626.42493	0.5
644.42816	1.3
672.42554	0.4
688.45471	0.7
690.43274	16.6
691.43567	0.7
834.47955	0.5
852.48584	16.1
853.48547	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5055
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	0.8
65.03921	0.6
67.05505	8.9
69.03439	1.6
69.07072	4.9
69.74387	1.7
70.06589	1.3
71.04986	1.0
73.02908	0.6
75.83507	0.3
79.05499	9.7
81.03421	6.5
81.07060	15.8
83.04979	1.1
83.08617	3.8
85.02905	3.9
86.09718	0.7
91.03961	0.5
91.05486	5.5
93.07047	18.1
94.07403	0.4
95.04977	2.4
95.06075	0.4
95.08611	18.6
97.02884	3.5
97.06522	1.3
97.10168	1.0
99.04463	2.2
103.05407	0.4
105.04528	0.3
105.07034	8.5
107.04958	2.9
107.08601	17.8
108.99965	0.3
109.02885	6.2
109.06535	0.8
109.10165	6.5
110.07175	1.3
111.04414	0.6
111.08104	0.4
115.05440	0.4
116.06221	0.3
117.07027	3.2
119.08596	10.7
121.06517	2.3
121.10144	10.8
121.72507	0.3
123.11687	1.4
125.05993	1.2
127.03925	7.4
129.07024	0.6
129.49477	0.3
130.07751	0.9
131.08554	2.5
133.10129	4.3
135.08087	0.8
135.11694	19.3
136.12021	0.5
137.13196	0.4
139.07544	0.7
143.08533	0.5
145.04980	0.9
145.10138	12.8
147.11673	3.6
149.13271	3.3
153.12711	0.3
159.11697	4.2
161.13278	2.9
163.06038	0.5
163.11186	25.8
163.14781	2.0
164.11465	0.5
171.11699	0.6
173.09531	0.5
173.13272	1.5
175.14874	1.6
177.16403	1.2
181.12239	5.2
184.07359	0.8
185.68344	0.3
185.98309	0.3
187.14841	1.1
189.16367	0.9
201.16405	1.4
203.17967	0.6
209.11803	2.2
215.17999	2.2
227.12788	100.0
228.13173	1.6
269.13846	0.6
271.24213	4.1
281.13797	1.5
299.14899	0.5
306.95364	0.4
335.14908	6.2
353.15955	20.3
354.16400	0.5
371.16995	4.7
405.26346	0.4
468.33600	0.4
674.14075	0.4
676.44946	1.0
694.46075	0.9
856.49249	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	3.9
65.03931	5.2
67.05508	37.6
68.99789	3.8
69.03432	29.6
69.07066	12.1
70.06593	8.0
71.01360	1.0
71.05003	5.6
71.08614	1.7
71.50684	2.0
72.08147	2.6
73.02911	4.8
77.03924	2.3
78.73347	1.1
79.05496	42.3
81.03423	30.1
81.07062	84.9
82.07400	1.3
83.01332	1.6
83.04985	6.3
83.08627	7.2
84.04480	1.7
84.08141	4.1
85.02911	55.8
85.06548	2.6
86.09709	3.4
87.00826	23.1
87.04480	1.4
89.06026	2.6
91.03953	1.9
91.05485	59.6
93.07047	100.0
95.04979	11.8
95.06101	1.6
95.08610	54.4
97.02895	22.6
97.06526	6.8
97.10175	1.3
99.04469	10.8
103.05466	4.0
104.06269	1.3
105.01866	15.2
105.04517	5.0
105.07038	75.7
106.07285	1.1
107.04977	1.4
107.08601	73.8
109.02882	26.7
109.06509	6.5
109.10158	26.9
111.04447	1.2
111.08083	12.9
115.03944	2.2
115.05418	2.9
116.06201	1.2
117.01872	2.7
117.07024	14.6
119.08588	57.5
120.08126	1.3
121.06521	2.3
121.10147	35.2
123.08067	4.6
123.11705	9.8
125.09644	13.6
127.03923	39.2
128.06216	4.7
129.01814	3.2
129.06993	7.9
129.10246	1.6
130.07755	2.9
131.08571	26.7
133.10135	29.9
135.08052	2.7
135.11697	20.7
137.09618	3.1
137.13280	2.8
141.06989	2.0
142.07797	5.3
143.08562	14.7
144.09332	3.6
145.04959	12.8
145.10130	32.4
145.32086	1.3
147.02881	3.4
147.08070	1.6
147.10526	1.6
147.11691	26.9
149.09645	5.5
149.13258	14.4
150.48631	1.1
151.11179	6.5
155.08572	3.2
156.09366	3.9
157.10143	17.2
158.10866	2.1
159.02901	11.8
159.11702	32.8
161.09641	2.2
161.13275	23.8
163.11183	3.6
163.14799	6.4
165.12698	2.6
168.15518	1.3
169.10098	4.2
171.11728	11.4
173.13292	14.2
175.11163	1.4
175.14838	11.3
177.12730	2.1
177.16359	3.4
179.14316	1.2
181.09969	1.6
183.11679	4.5
185.13226	8.8
187.14857	9.3
189.03839	2.0
189.16393	3.6
197.13234	2.5
199.14819	9.9
201.12587	1.2
201.16380	13.3
203.14357	1.3
203.17996	1.7
211.14893	2.0
213.03957	3.1
213.16385	10.6
215.17799	1.5
217.15898	2.8
227.17870	7.6
229.19533	4.5
231.05040	10.6
241.19429	1.5
249.06110	2.5
267.20972	1.6
269.22662	27.0
273.05960	1.7
285.22000	3.1
287.23630	8.3
382.63257	1.1
491.18484	1.3
641.64862	1.5
665.75592	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.5737
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04992	2.9
65.03920	0.8
66.91811	0.7
67.05504	8.1
69.03426	3.9
69.07072	29.5
70.06578	2.6
71.04974	1.1
71.08636	4.0
71.50354	1.3
72.08154	1.6
73.02899	1.6
73.06552	7.0
79.05491	2.1
81.03428	1.1
81.06644	1.2
81.07064	11.9
83.08154	1.5
83.08624	19.8
85.02911	10.4
85.10162	0.9
85.32380	0.9
86.09704	1.5
86.25297	0.8
87.04472	10.1
89.06038	100.0
91.05527	1.8
91.07630	0.9
93.07034	2.2
95.08615	10.4
96.33560	0.8
97.02867	1.8
97.09635	1.3
97.10176	14.0
105.07021	1.3
107.07079	2.6
107.08614	1.2
109.10155	6.3
111.11726	9.0
116.59854	0.8
117.09152	9.5
119.08580	1.1
121.10098	0.8
123.11688	2.5
125.13258	3.2
127.03899	2.2
131.07027	5.1
133.08607	56.0
136.06175	2.0
137.13231	1.7
139.14827	1.6
139.39856	0.8
145.04892	1.1
151.09647	1.3
161.11739	2.7
175.09659	1.9
177.11235	29.1
184.07333	1.4
221.13806	8.3
239.14961	2.1
265.16489	2.7
283.17444	3.2
283.26285	10.1
309.19122	2.2
327.19907	2.1
327.28943	7.8
345.30032	1.2
353.21729	1.7
362.26190	1.1
371.22672	1.1
389.32495	1.1
415.25275	1.1
459.27921	6.2
477.37555	1.2
565.42548	1.3
609.45569	1.6
653.48389	23.3
654.48651	1.5
671.49353	1.3
743.17828	1.1
858.82874	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.6305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05006	2.0
65.78696	0.4
66.44666	0.5
67.05488	0.7
69.07065	4.7
70.57343	1.6
71.08636	31.2
73.02919	2.1
73.06556	11.1
79.76123	0.4
81.07059	1.1
83.08624	5.0
85.10187	15.9
86.09709	1.1
87.04472	16.2
89.06034	100.0
90.06329	0.5
91.07611	1.1
93.07041	0.5
95.08610	0.8
97.10172	5.0
99.11743	2.2
104.10761	0.5
105.07026	0.5
107.07081	2.0
109.10130	0.5
111.11731	3.3
113.06042	0.7
113.13281	1.8
115.07584	0.7
117.09139	12.8
125.13291	1.9
127.14862	1.2
130.08635	3.1
131.07030	4.1
133.08609	54.4
134.08969	0.5
135.10182	1.2
141.16434	1.3
155.17993	0.6
159.10201	0.6
161.11746	2.7
169.02605	1.0
175.09622	3.7
177.11235	22.1
184.07356	4.0
197.22664	2.4
219.12303	1.0
221.13805	3.5
223.15443	0.6
239.14919	1.0
241.25294	1.9
254.40732	0.4
265.16534	0.9
283.17618	1.3
285.27859	6.1
309.19153	0.9
313.27386	0.7
327.20422	0.6
329.30600	3.4
357.79852	0.4
573.12897	0.5
635.38617	0.6
704.73950	0.5
831.60315	1.5
848.63507	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	848.5006
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05011	3.7
61.02931	14.2
61.71528	0.5
65.03951	2.8
67.05511	100.0
68.05858	1.1
69.03435	3.1
69.07079	8.3
70.06593	0.8
71.05000	3.7
73.02917	3.0
79.05500	22.0
80.15666	0.7
81.03426	1.9
81.07067	39.9
83.04988	1.9
83.08623	10.0
85.02920	14.5
85.03442	0.8
85.06552	3.6
87.04501	1.4
91.03965	8.5
91.05489	15.8
93.07054	29.0
95.04985	2.6
95.08617	29.0
95.09241	0.6
96.04493	0.8
96.18010	0.6
97.02909	8.1
97.06543	2.2
97.10201	2.4
98.06057	0.6
98.21509	1.5
99.04479	1.2
99.08099	2.2
101.02390	1.1
104.07114	0.6
105.04514	1.0
105.07044	8.9
107.08610	17.1
109.06552	0.9
109.10165	84.7
110.10526	0.7
111.08092	3.3
111.11771	0.6
115.04010	0.7
117.07035	2.7
119.08591	13.0
120.08170	0.7
121.10147	13.6
123.08125	0.7
123.11726	3.8
124.99980	1.0
125.09621	2.2
127.03928	3.1
127.11246	0.7
129.06972	0.7
131.08582	7.2
133.10126	6.2
135.11699	8.8
137.09651	3.7
137.13286	2.1
139.11194	0.7
145.04965	3.9
145.10112	5.1
147.11708	4.3
149.13280	6.8
155.10670	7.3
159.11690	3.8
161.13251	3.3
163.06050	4.1
163.14822	3.8
173.11765	17.9
173.13287	4.7
175.14803	1.2
183.78485	0.8
184.07358	2.3
187.14825	2.5
189.11221	1.2
227.12784	5.9
229.14375	92.5
230.14731	0.9
243.21088	5.3
245.57254	0.7
249.93803	0.6
261.22165	22.0
263.23566	0.8
279.23102	1.2
317.24747	3.1
335.25821	76.0
336.26111	2.2
366.19254	1.0
379.29849	2.0
397.30963	2.5
415.31946	1.3
449.55765	0.7
471.34933	3.2
489.35794	76.1
490.36221	4.1
507.36896	5.5
676.43829	2.0
769.12823	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05002	4.5
61.02930	11.4
62.49639	0.7
65.03931	2.8
65.74438	0.7
67.05507	95.2
69.03415	2.6
69.07069	7.0
70.06588	1.7
71.04984	3.2
71.08627	1.2
73.02910	3.2
79.05074	1.2
79.05498	17.9
80.26067	0.7
81.03416	1.7
81.07058	36.1
83.04977	1.0
83.08619	8.4
85.02908	13.9
85.06514	3.1
86.09680	3.1
87.04438	1.0
91.03971	8.3
91.05479	14.3
93.07047	26.9
95.04955	1.3
95.08612	25.8
97.02885	8.6
97.06509	1.3
97.10175	2.4
98.06068	1.4
98.20724	1.8
98.98478	1.1
99.04440	1.6
105.04479	1.0
105.07040	7.7
105.13647	0.7
107.08599	16.0
109.10160	70.2
110.10505	1.0
111.08093	4.0
117.07027	3.6
119.08584	10.4
119.39440	0.9
121.10155	10.6
123.11685	3.1
125.00057	1.3
125.09628	1.9
127.03908	3.1
131.08589	5.6
133.10139	6.1
135.11679	7.8
137.09595	3.4
137.13257	1.8
139.11177	1.1
144.06558	0.9
145.04941	4.2
145.10100	4.3
147.11707	4.5
149.09570	1.0
149.13248	5.2
155.10698	5.4
159.11691	3.4
161.13258	2.6
163.06015	4.8
163.11243	1.3
163.14818	2.6
173.11765	19.0
173.13223	3.1
175.14841	1.1
177.16356	1.5
184.07329	9.0
186.54305	0.8
187.14763	1.7
189.11215	1.1
210.08344	0.9
227.12738	6.6
229.14352	100.0
230.14801	1.6
243.21046	5.0
261.22153	16.0
263.80460	0.9
277.48428	0.8
317.24759	3.1
335.25809	65.6
336.26120	2.1
359.29901	0.7
366.19150	2.2
379.30115	1.4
397.31299	1.6
409.53046	0.8
415.32315	1.7
471.34720	2.2
489.35757	44.6
490.36224	2.5
507.37003	6.9
529.94348	0.9
676.44299	6.0
747.77832	0.9
804.42505	1.9
848.49377	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	848.4656
Annotation	Ancorinoside B
Peak:m/z	Relative Intensity
61.02938	2.1
63.35651	0.2
65.03937	0.2
67.05173	0.4
67.05509	4.4
68.91128	0.2
69.03418	0.8
69.07053	0.8
69.85918	1.1
70.06590	0.3
70.15311	0.2
72.08157	0.2
72.94283	0.2
73.02905	0.7
77.70892	0.2
78.43170	0.2
79.05076	0.3
79.05502	4.2
81.03423	3.3
81.07062	3.0
83.04974	0.5
83.08595	0.3
85.02910	1.8
91.03944	0.9
91.05499	2.4
93.04514	0.6
93.07056	3.5
94.04066	0.4
95.04955	0.9
95.06122	0.6
95.08620	2.0
97.02899	1.3
99.08118	0.3
101.02370	0.3
103.33718	0.3
105.07043	1.3
107.04936	0.9
107.08589	1.1
108.05632	0.3
109.02890	0.2
109.04002	0.5
109.06545	0.3
109.10152	0.7
111.05573	0.5
117.07022	0.8
118.04031	0.7
119.03568	1.2
119.08600	0.7
120.05568	0.8
121.06552	0.2
121.10158	1.2
127.03913	0.4
131.08589	0.7
133.10153	0.6
135.05444	0.8
135.06668	1.7
135.11700	0.7
136.06195	64.4
137.04604	0.7
145.05112	3.3
145.10159	0.7
148.06227	0.2
149.02364	2.1
162.07758	100.0
163.06129	0.7
163.08150	0.8
163.11194	1.2
173.09625	0.3
174.07790	0.6
178.07245	0.9
184.07352	0.4
190.07249	4.5
191.08066	0.9
191.10664	0.3
192.08852	0.4
193.04959	2.0
202.07355	0.3
209.11852	0.3
220.08315	7.5
223.06985	0.5
227.12660	0.3
231.05731	0.3
236.07874	1.0
237.07594	1.5
237.09776	0.3
283.15308	0.3
298.16632	0.3
307.22702	2.6
316.17749	1.3
326.16177	0.7
344.17163	3.4
344.21216	0.3
362.18445	0.9
385.09225	0.3
412.65695	0.3
418.20636	1.2
429.12262	0.3
436.21976	3.0
454.22964	1.0
621.15747	0.4
640.41010	1.3
650.39160	0.5
668.40137	7.2
669.40503	0.4
684.25928	0.3
684.38647	0.3
686.41260	28.0
687.41742	1.4
802.44971	0.2
830.45514	0.7
848.46429	13.2
849.47028	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.465
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	2.0
65.03931	0.2
67.05511	2.5
69.03426	0.7
69.07064	0.4
70.06573	0.2
70.89941	0.4
70.90285	0.2
71.05006	0.2
73.02898	0.7
78.89027	0.2
79.05086	0.2
79.05502	2.8
79.76248	0.2
81.03410	1.1
81.07058	2.0
83.04949	0.3
83.08604	0.3
85.02911	1.3
86.09700	0.4
91.02986	0.2
91.03949	0.7
91.05487	1.2
93.04512	0.6
93.07043	2.2
94.04030	0.3
95.04946	0.6
95.06080	0.3
95.08616	1.5
97.02908	1.2
97.06537	0.2
99.08020	0.2
104.10722	0.4
105.07038	0.6
107.04964	0.2
107.08578	0.8
108.05603	0.7
109.04011	0.3
109.10142	0.6
111.05564	0.7
117.07014	0.5
118.04047	0.4
119.03559	1.1
119.08564	0.6
120.05565	1.0
121.10181	1.0
124.99969	0.2
127.03900	0.3
131.08553	0.4
133.10060	0.2
135.05441	0.5
135.06667	2.4
135.11691	0.5
136.06190	34.2
137.04591	0.7
145.05092	4.2
145.10144	0.8
148.06201	0.3
162.07751	100.0
163.06157	1.1
163.08194	1.0
163.11205	0.7
174.07851	0.2
178.07289	0.4
184.07301	0.5
190.07242	3.2
191.08038	0.5
192.08768	0.3
200.87206	0.2
201.04854	0.2
204.08731	0.3
220.08308	2.0
223.06950	0.5
227.12865	0.3
236.07796	0.9
286.16614	0.3
297.07480	0.2
307.22675	1.8
316.17755	1.1
324.13211	0.2
341.37265	0.2
344.13657	0.2
344.17264	1.4
362.18155	0.9
385.58893	0.2
390.21432	0.2
408.22403	0.3
418.20816	0.3
436.21948	1.3
451.01642	0.2
454.23056	0.8
540.30817	0.3
640.40643	1.6
668.40173	4.1
686.41248	26.5
687.41394	1.3
830.45062	0.8
848.46234	6.6
849.46649	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	3.9
65.03944	4.2
67.05142	2.8
67.05512	56.4
69.03432	21.7
69.07078	29.4
69.78997	13.3
71.04994	4.8
71.08619	4.1
73.02894	3.3
79.05495	40.0
81.03426	20.6
81.07066	100.0
83.04984	6.5
83.08621	12.2
85.02908	22.6
86.09704	9.0
87.04478	4.1
91.05484	47.4
91.06022	3.8
93.07048	76.7
95.04955	12.2
95.08615	92.2
97.02884	13.4
97.06529	5.1
97.10181	10.9
98.20859	3.7
99.04462	5.4
105.07034	62.0
105.07698	4.7
107.08598	69.4
107.20177	2.5
109.02916	7.1
109.06503	3.4
109.10164	53.6
111.04464	7.3
111.11756	3.9
115.03960	3.2
115.05448	5.2
117.07038	15.8
119.08592	65.0
121.06452	3.2
121.10152	57.0
123.11726	23.0
125.00048	5.9
127.03936	7.2
128.06281	4.0
129.05484	3.5
129.07018	13.1
131.08583	31.8
133.10158	40.1
135.08052	6.4
135.11702	40.8
137.13266	6.4
138.41542	2.5
141.06975	3.9
142.07828	3.9
143.08588	18.7
145.04970	3.2
145.10138	40.7
147.08031	4.8
147.11697	36.1
149.09572	2.7
149.13272	29.2
151.14764	3.0
155.08566	7.8
156.09351	4.2
157.10139	18.1
159.11702	38.2
161.09630	3.8
161.13254	25.8
163.11217	4.3
163.14816	13.7
168.09285	2.6
169.10159	9.8
171.11737	20.2
173.13286	26.3
175.14832	23.5
177.16406	11.0
181.10010	3.6
183.11725	10.9
184.07335	32.0
185.13358	15.8
187.14839	18.6
189.16423	18.0
191.18019	5.9
195.11742	4.5
197.13315	8.4
199.11195	3.5
199.14853	10.4
201.16400	17.0
203.17970	9.9
205.19615	3.2
207.11836	4.0
207.13885	2.9
209.13281	5.6
211.14845	10.5
213.12715	3.1
213.16379	7.0
215.17982	14.9
217.19600	8.7
223.14774	4.0
225.16432	6.0
227.17940	6.4
229.19539	5.4
231.21075	3.4
237.16464	4.1
239.17953	3.5
241.19522	5.6
243.21103	7.9
245.19284	2.9
253.19511	4.3
255.21092	5.4
257.22568	4.5
269.22726	6.7
271.24304	17.2
275.20303	2.7
281.22556	4.2
289.25317	5.8
311.23740	4.1
379.26303	3.4
415.28290	3.4
461.29236	7.2
475.30704	3.4
503.42435	4.4
629.45050	6.2
647.46381	12.0
665.47760	42.1
683.48743	12.0
700.93927	2.9
827.52319	7.2
845.50726	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	845.5023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05007	0.9
60.08181	0.6
61.02934	5.0
65.03941	0.8
67.05512	5.6
68.36224	0.4
69.03436	3.8
69.07085	2.2
71.04995	1.3
71.51196	0.7
73.02925	3.9
77.71552	0.4
79.05501	4.6
81.03428	1.4
81.07059	6.0
83.04997	0.8
83.08632	1.0
85.02911	5.2
85.06550	0.7
86.09711	2.8
87.04506	0.5
91.03973	3.2
91.05478	3.7
93.07044	4.6
94.92274	0.5
95.04993	1.3
95.08612	4.7
96.29308	0.4
96.62987	0.4
97.02901	4.3
97.06567	1.3
97.10198	0.5
99.04463	0.8
101.02413	1.8
105.07072	1.9
107.08613	2.7
109.02884	0.5
109.06510	0.5
109.10184	1.9
109.49149	0.5
117.07034	0.5
119.08623	1.6
121.10180	2.0
125.00027	2.6
127.03989	1.1
131.08630	1.5
133.10175	1.1
135.11749	0.9
137.05771	0.5
145.10158	0.6
145.97804	0.5
147.11719	1.1
148.32800	0.5
184.07358	9.4
185.04277	0.6
185.07709	1.1
201.16431	0.5
203.05309	0.9
243.08543	2.0
277.85855	0.4
278.35986	0.4
289.59262	0.5
349.19867	9.4
349.23840	0.7
408.99152	0.6
439.19870	0.8
453.21384	0.7
465.71664	0.4
479.22525	0.8
519.29498	5.2
567.28156	2.2
717.41620	0.7
728.14502	0.5
757.45264	0.8
845.50226	100.0
846.50647	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	842.5316
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05005	100.0
69.03432	0.7
70.06605	1.3
70.40336	1.5
70.40712	0.9
71.04990	0.9
72.08173	0.9
73.02914	3.2
73.06557	7.9
84.08140	1.1
86.09751	1.1
87.04471	22.4
89.06036	94.5
90.06324	0.8
97.02821	0.6
97.54297	0.6
103.07587	82.4
107.07064	1.2
113.06018	1.8
115.07559	0.8
117.09139	8.1
117.84071	0.6
130.08533	0.8
131.07051	5.8
133.08607	52.0
135.10115	0.6
143.21616	0.6
147.10173	30.7
159.10182	0.7
161.11742	1.8
175.09657	4.2
177.11223	18.9
191.12822	1.3
195.32463	0.7
200.94833	0.6
219.12256	1.1
221.13857	3.0
223.15332	1.1
265.16425	0.7
275.36374	0.6
283.17340	0.6
409.95267	0.7
501.15964	0.7
517.31415	0.7
567.97180	0.7
625.86389	0.7
825.50360	1.1
842.51605	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	840.5471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04989	5.1
61.02924	4.0
65.03941	8.9
67.05511	98.5
69.03436	20.4
69.07074	51.7
70.06570	2.1
71.01385	2.1
71.04994	20.0
71.08658	2.0
73.02914	4.2
79.05500	92.9
81.03429	26.8
81.07062	97.0
82.22986	1.5
83.04990	15.9
83.08623	13.4
85.02924	9.5
85.06544	4.7
86.09702	2.9
87.04487	1.6
91.04913	3.1
91.05486	66.0
93.07053	83.9
95.04980	20.4
95.08619	62.7
97.02888	12.8
97.06538	76.3
97.10158	7.9
97.10726	1.6
99.04465	4.1
99.08079	5.7
103.05477	1.6
105.04530	3.4
105.07035	46.2
107.04970	10.7
107.08608	44.0
109.02875	5.5
109.06521	23.6
109.10172	24.1
111.04389	2.0
111.08102	8.1
113.06002	2.7
115.05437	3.2
115.07581	26.2
116.06296	1.7
116.07098	2.6
117.07024	21.7
119.04919	1.8
119.08597	29.6
121.06544	8.1
121.10159	28.2
123.08070	9.2
123.11700	7.1
125.09631	4.9
127.03925	5.9
127.07583	2.6
128.06219	3.3
129.05502	2.6
129.07001	11.4
131.04909	1.9
131.08586	30.6
133.06517	5.3
133.10135	26.1
135.08047	11.4
135.11702	19.6
137.09633	4.6
139.07542	1.9
139.11200	2.2
141.06944	2.6
142.07764	2.4
143.08559	8.0
145.04997	2.0
145.06473	2.2
145.10138	16.6
146.58511	1.6
147.08096	9.3
147.11705	11.5
149.09621	8.2
149.13255	11.0
151.11137	3.1
151.14886	1.7
153.12813	1.9
155.08553	3.8
157.06645	1.9
157.10132	10.6
159.08095	2.5
159.11713	16.7
161.09663	5.1
161.13271	6.0
163.11183	3.8
163.14793	2.7
165.09085	2.9
167.08542	2.7
169.10098	3.1
171.11700	6.6
173.04491	8.4
173.09538	1.7
173.13237	8.0
175.11186	5.1
175.14816	2.1
177.12804	6.2
181.10092	1.8
183.11705	2.7
184.07338	4.4
185.13319	4.4
187.14900	3.3
189.12775	3.2
193.12294	2.7
195.13763	2.8
197.13257	2.8
199.14906	2.7
203.14288	1.8
213.12811	1.7
217.15887	6.6
227.12662	2.6
227.18031	2.9
233.15332	2.8
237.16530	2.4
241.10605	2.8
243.21063	2.5
245.18965	2.7
253.14423	2.3
259.20459	2.7
261.22153	10.3
267.15964	8.4
269.17493	13.6
273.15607	1.1
273.18524	31.8
275.20053	3.4
291.19525	18.0
297.17047	2.1
303.15601	2.0
307.18820	1.7
317.24890	3.6
333.24149	3.3
335.25812	100.0
336.26199	3.6
337.27365	3.1
347.22198	11.9
365.23300	11.7
383.24326	2.7
391.28134	2.2
505.35046	2.4
515.37012	3.7
527.37354	3.7
529.38928	26.8
531.36719	2.2
545.38629	3.7
607.43427	7.5
625.44470	17.9
643.45667	8.3
679.48816	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	838.5312
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05644	3.1
65.03935	4.9
67.05508	64.5
69.03425	7.3
69.07067	21.0
69.20988	14.4
71.04974	5.7
79.05497	59.0
81.03421	14.3
81.07063	67.8
83.04993	10.4
83.08624	10.9
85.02895	3.2
85.06557	2.6
86.09703	1.8
87.04456	4.7
91.05486	41.4
93.07049	52.1
95.04978	16.0
95.08612	35.9
97.02889	3.1
97.06535	20.2
97.10189	9.8
99.04473	1.6
99.08102	2.3
103.05439	1.9
105.04521	2.3
105.07044	26.1
107.04305	1.9
107.04964	17.0
107.08592	27.8
109.02895	2.7
109.06526	22.9
109.10165	16.9
111.04433	4.4
111.08067	6.7
113.05994	2.5
115.05454	3.0
115.07530	1.6
117.07018	11.5
119.08593	21.0
121.02900	7.0
121.06512	15.7
121.10133	20.9
123.04449	2.8
123.08075	12.9
123.11733	4.5
125.00037	2.0
125.06003	7.4
125.09633	6.9
128.06236	2.1
129.07016	8.5
131.08577	19.4
133.06482	4.7
133.10130	14.9
135.08058	9.7
135.11707	12.8
137.09607	2.9
137.13330	1.5
138.80832	1.5
139.07541	1.6
139.11168	2.5
142.07706	2.3
142.70718	1.3
143.08548	3.5
145.06508	4.6
145.10127	8.9
147.08064	5.0
147.11694	9.8
149.06000	3.4
149.09604	4.8
149.13249	4.3
151.07533	4.9
151.11143	1.5
153.09186	1.8
155.08525	4.1
157.06450	2.4
157.10123	3.5
159.08069	22.9
159.11697	8.6
161.09587	5.4
161.13264	5.1
163.07605	8.8
163.11205	3.7
163.14810	2.5
165.09058	1.7
165.12808	1.5
169.10118	2.9
171.07959	1.9
171.11667	3.7
173.09592	6.2
173.13254	4.8
175.11169	4.5
177.09097	4.5
177.12695	2.7
183.11636	3.3
184.07339	5.8
185.09706	2.3
187.11313	2.9
187.14793	2.8
189.11174	5.0
189.12764	2.1
191.10754	2.8
193.12225	4.8
197.13318	2.4
199.11140	2.5
199.14876	2.1
201.12686	1.7
205.15993	2.4
215.14249	3.1
219.13751	4.2
221.11661	1.9
227.12706	6.3
233.15395	22.8
241.14313	6.5
243.17400	5.3
243.21249	2.2
249.14618	1.7
251.16422	3.7
253.15871	5.2
259.20438	1.7
261.18524	4.5
261.22214	4.6
267.15878	4.7
271.16937	14.4
279.15881	3.0
289.17990	47.1
307.19034	14.8
313.96271	1.5
335.25815	100.0
336.26172	3.2
345.20679	2.8
363.21640	21.6
381.22757	16.6
501.35645	2.8
527.37183	2.3
623.43054	20.9
624.42773	2.1
641.44128	38.4
659.45074	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	834.6151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05005	1.5
67.05493	1.6
69.07067	4.0
71.05002	0.7
71.08638	28.4
73.02915	1.9
73.06564	9.7
79.05500	0.8
81.07056	1.2
83.08624	3.3
85.10189	17.5
86.09724	2.9
86.77812	0.5
87.04476	14.6
89.06039	100.0
91.05483	0.7
91.07610	0.9
93.07077	1.0
95.08614	0.8
97.10178	4.8
97.59643	0.5
98.21521	1.1
99.11729	2.9
104.83946	0.6
107.07086	1.3
111.11720	3.7
113.05985	1.0
113.13297	1.9
117.09138	11.5
122.83097	0.5
125.00006	2.2
125.13301	2.0
126.29521	0.5
127.14857	1.5
127.81886	0.6
130.08675	1.7
131.07050	4.0
133.08617	52.1
134.08957	0.8
135.10141	0.8
141.16435	0.7
161.11758	2.3
172.41280	0.5
175.09703	3.5
177.11243	21.1
183.21065	2.9
184.07368	8.8
199.63834	0.6
219.12442	0.7
221.13806	4.1
223.15303	0.6
227.23729	3.0
229.03528	0.5
239.14896	0.6
265.16470	0.9
271.26398	5.4
283.17529	0.9
294.33286	0.6
315.28970	3.3
327.20029	0.8
335.25772	0.7
397.24088	0.7
591.35626	0.6
817.58527	0.9
834.61487	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.86745	0.1
61.02932	1.4
65.03922	0.2
67.03002	0.2
67.05507	3.6
68.76237	0.1
69.03431	0.6
69.07077	1.0
70.90314	0.3
71.04981	0.2
71.08629	0.1
73.02911	0.6
73.15532	0.1
79.05067	0.2
79.05499	1.8
81.03419	5.0
81.07059	4.4
83.04959	0.3
83.08620	1.4
85.02905	1.2
89.06079	0.1
91.03980	0.6
91.05493	1.8
92.02492	0.1
93.07051	1.3
95.04977	1.3
95.08614	2.1
97.02897	1.0
97.06532	0.2
97.10163	0.2
99.08082	0.3
105.07039	1.5
107.04945	0.3
107.08572	0.6
109.05204	0.2
109.06541	0.4
109.10145	1.0
111.08092	0.3
113.09609	0.2
117.07021	0.1
119.03557	1.4
119.08601	1.0
121.06480	0.2
121.10151	0.8
122.86206	0.1
123.11714	0.4
125.09630	0.2
127.03906	0.1
129.06989	0.6
131.08578	0.4
133.10164	0.7
135.11678	0.4
135.82793	0.1
136.06192	100.0
137.04633	1.0
137.06651	1.1
137.09647	0.2
137.13255	0.2
147.08041	0.2
147.11705	0.5
149.09613	0.3
157.10091	0.6
161.04706	0.2
161.13339	0.2
165.12741	0.2
175.11224	0.5
178.07161	0.2
184.07388	0.3
193.12256	1.3
217.19511	0.4
221.40492	0.1
235.20641	0.6
267.15933	4.3
285.16986	0.2
305.09152	0.1
309.24243	3.8
501.35818	2.0
519.37152	0.9
654.42145	1.0
672.43396	2.9
816.47205	1.3
834.48547	2.2
835.48651	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.5998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05002	9.5
60.08164	0.9
69.07066	4.5
71.08636	27.4
72.08154	0.6
73.02943	1.2
73.06184	0.6
73.06562	9.7
77.06041	0.9
81.03416	0.5
81.07060	0.9
83.08635	4.5
85.10192	16.1
86.09702	6.3
87.04476	18.3
89.06036	47.7
91.07622	0.8
92.05318	0.5
95.08584	1.2
97.10176	5.9
98.98439	0.7
99.04491	0.6
99.11716	2.2
103.03947	100.0
103.07590	5.3
107.07063	1.6
107.08610	0.6
111.11724	4.0
113.06017	2.0
113.13279	2.0
117.09135	9.5
119.07079	1.4
121.08603	2.9
121.10201	0.6
125.00004	4.1
125.13299	1.5
127.14841	1.5
130.08652	1.6
131.07059	5.1
133.08609	20.4
135.10184	1.3
139.14841	1.3
141.16438	1.3
143.27945	0.5
147.06523	10.0
147.10172	1.6
153.16313	0.6
155.17935	1.3
161.11775	2.0
163.07474	0.6
163.09673	2.5
168.37488	0.6
169.19591	0.8
175.09653	1.9
177.11237	7.5
184.07355	15.0
191.09146	6.1
207.12256	4.0
211.24243	2.0
221.13928	1.9
226.98215	0.7
235.11781	5.6
255.26862	2.0
269.16138	0.7
279.14374	1.7
283.17725	0.9
299.29474	5.0
323.17148	1.2
343.32172	3.6
519.15784	0.7
622.81659	0.6
815.57062	0.9
832.60303	5.0
866.72424	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.5572
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	47.0
59.04996	4.2
59.06113	3.3
60.04511	2.1
61.02918	5.0
65.03931	2.2
67.05508	24.1
69.03436	2.7
69.07073	6.6
70.06596	3.7
70.99331	2.6
70.99674	1.6
75.94153	1.3
79.05492	21.2
80.04995	1.6
81.05775	1.5
81.07059	17.3
82.06572	6.1
83.08610	2.5
84.04494	3.7
84.08144	4.8
85.02897	2.7
86.09716	1.7
91.05480	16.0
93.07055	16.6
94.06570	12.6
94.80257	1.3
95.04952	3.0
95.07336	1.5
95.08613	13.0
96.08099	1.5
97.02901	2.4
105.07040	11.6
106.06502	1.5
107.08603	11.5
108.08115	1.6
109.10139	3.0
112.07593	2.4
114.05536	1.6
117.07001	4.8
119.08559	5.8
120.08076	1.7
121.10164	5.7
124.11200	4.1
125.00006	1.9
129.07097	2.1
131.08548	4.5
133.10130	2.4
134.09688	1.6
135.11719	2.8
136.11215	1.6
145.10143	3.5
147.09970	1.5
147.11732	2.2
159.11743	3.1
160.11221	3.8
161.13229	1.8
163.11122	1.8
164.14316	2.3
180.13751	1.9
184.07330	5.0
190.41096	1.5
220.17001	1.9
238.92610	1.4
258.08914	2.4
258.50711	1.5
268.69937	1.6
284.19363	1.3
318.24213	4.4
335.25861	10.2
380.84805	1.4
392.28006	3.9
532.39606	3.9
572.43073	2.2
652.49493	7.3
670.50433	100.0
671.50983	7.5
832.55536	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	832.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02938	1.4
65.03934	0.2
67.02995	0.2
67.05178	0.2
67.05508	2.9
69.03445	0.7
69.07063	0.5
70.78915	0.1
70.89986	0.3
71.04994	0.1
73.02916	0.2
79.05496	3.8
80.71053	0.1
81.03423	4.5
81.07066	2.2
83.04991	0.3
83.08618	1.1
85.02905	1.0
86.09704	0.2
86.91995	0.1
91.03954	0.6
91.05487	1.7
91.18164	0.1
92.02477	0.2
93.07056	2.8
95.04984	1.4
95.08614	1.4
97.02924	1.0
102.79249	0.1
105.04540	0.2
105.07044	1.3
107.04974	0.2
107.08610	1.0
109.06553	0.2
109.10164	0.5
111.08088	0.3
114.59894	0.1
117.07053	0.2
118.97098	0.1
119.03555	1.2
119.08614	1.0
121.06631	0.1
121.10165	1.8
123.11694	0.3
127.03930	0.2
129.07021	0.5
131.08569	1.0
133.10136	0.6
135.11703	0.6
136.06195	100.0
137.04604	0.9
137.06544	0.5
137.09644	0.2
145.10132	0.4
147.08009	0.2
147.11697	0.3
149.13225	0.3
157.10130	0.7
159.11728	0.3
169.62399	0.1
171.28281	0.1
175.11208	0.5
178.07254	0.2
193.12253	1.1
215.17958	0.9
233.19051	1.0
267.15921	4.1
267.18637	0.3
298.11609	0.2
307.22668	3.5
370.29309	0.2
495.23120	0.1
499.34299	1.3
517.35339	0.7
652.40643	1.1
670.41870	3.2
671.42090	0.2
814.45959	1.5
832.46631	1.3
833.46204	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.4702
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	2.1
65.03940	0.3
67.02984	0.2
67.05506	4.3
69.03428	1.0
69.07043	0.8
69.51840	0.2
70.52141	0.5
71.04995	0.3
73.02924	0.8
79.05498	5.7
81.03424	6.5
81.07057	4.0
83.08222	0.2
83.08623	1.8
85.02906	1.7
91.03952	0.6
91.05483	3.4
92.07683	0.2
93.06484	0.3
93.07046	4.8
95.04975	2.1
95.08619	2.3
97.02895	1.6
97.06568	0.2
97.10165	0.3
99.08096	0.2
101.02373	0.2
105.07044	2.3
107.04935	0.4
107.08598	1.1
109.06514	0.4
109.10190	0.9
111.08062	0.5
115.05441	0.2
117.07017	0.4
119.03545	1.3
119.08614	1.7
121.10148	2.7
123.08067	0.3
123.11685	0.4
125.09622	0.2
127.03947	0.3
129.06975	0.7
131.08562	1.5
133.06488	0.3
133.10126	0.9
135.11684	0.9
136.06192	100.0
137.04649	1.0
137.06494	0.6
137.09657	0.2
142.07744	0.3
145.10117	0.5
147.08067	0.3
147.11673	1.1
148.29190	0.2
149.09622	0.3
149.13264	0.4
157.10133	1.0
159.11742	0.3
160.78046	0.2
173.13286	0.3
174.07759	0.4
175.11185	1.0
178.07262	0.5
193.12253	2.1
211.13284	0.3
215.17964	0.7
233.18997	1.1
267.15936	4.1
307.22687	3.5
307.25980	0.3
346.18655	0.8
404.20898	0.2
420.22748	0.4
469.28116	0.2
499.34161	1.3
508.24573	0.2
517.35419	0.5
526.71246	0.2
652.40778	5.2
670.41785	15.6
671.42096	0.7
683.24310	0.2
814.46014	3.0
832.46924	6.0
833.47009	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	1.5
65.03932	0.4
67.02994	0.2
67.05509	3.1
69.03419	0.6
69.07060	0.5
69.13412	0.1
71.04994	0.2
71.15483	0.2
73.02914	0.5
77.03919	0.1
79.05494	4.9
81.03422	5.2
81.07059	3.1
82.77847	0.2
83.04976	0.3
83.08629	1.3
85.02917	1.2
91.03949	0.6
91.05483	2.4
93.07049	3.5
94.04058	0.2
95.04967	1.7
95.06108	0.3
95.08601	1.6
97.02889	1.2
97.06550	0.3
99.08073	0.2
99.20586	0.1
105.07030	1.8
107.04951	0.4
107.08591	1.1
109.06506	0.3
109.10155	0.9
111.08080	0.5
117.06977	0.2
119.03548	1.3
119.08598	1.5
121.10149	1.8
123.11691	0.2
125.09657	0.2
127.03911	0.3
129.07013	0.4
131.08559	1.1
133.06509	0.2
133.10127	0.8
135.11691	0.6
136.06190	100.0
137.04631	0.9
137.06621	0.9
142.07759	0.2
145.04999	0.2
145.10123	0.4
147.08070	0.2
147.11653	0.7
149.09653	0.4
149.13216	0.3
151.11208	0.3
157.10126	0.6
159.11679	0.3
165.12700	0.2
173.13338	0.3
174.07782	0.1
175.11205	0.7
178.07289	0.4
193.12262	1.4
213.81163	0.2
215.17990	0.5
233.18983	0.7
249.14893	0.2
267.15948	3.9
275.21725	0.2
307.22662	3.6
307.25949	0.3
308.22916	0.2
346.18631	0.4
420.22498	0.2
499.34302	1.2
500.34848	0.2
509.54828	0.2
517.35284	0.6
589.73389	0.2
652.40759	3.1
653.40961	0.2
670.41785	8.6
671.41986	0.8
814.46222	1.9
832.46875	3.5
833.46912	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.5173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04984	0.6
60.04475	0.4
69.03416	0.6
70.06608	4.4
71.01748	1.1
71.05008	0.7
72.08164	1.4
73.02923	2.0
73.06563	3.2
76.37279	0.5
81.07075	0.5
82.33888	0.5
84.04503	1.6
84.08131	2.7
85.02915	1.0
86.09708	1.9
87.03923	1.1
87.04475	21.8
89.06036	100.0
90.06371	1.1
91.05508	0.5
91.07588	0.6
93.07045	0.5
97.06549	0.5
107.07088	1.5
113.06022	1.3
115.07588	0.5
117.09143	2.2
119.08619	0.6
120.08083	1.0
127.03925	0.5
129.10237	1.6
130.08655	1.2
131.07053	6.4
133.08612	60.6
134.08961	0.9
147.04376	0.6
159.10223	0.6
165.01535	0.5
174.51422	0.5
175.09694	4.2
177.11232	20.3
179.12906	0.6
210.08698	0.5
219.12280	1.3
221.13844	2.8
265.16626	1.0
270.34525	0.5
283.17819	0.5
460.22031	0.5
478.14322	0.5
766.94116	0.6
811.47919	0.8
828.51508	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.7223
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03948	4.5
67.05510	39.3
69.07072	25.4
71.50493	1.8
71.50858	1.4
79.05503	29.3
81.07064	94.7
83.04987	1.7
83.08628	12.2
91.05488	30.7
93.07051	63.5
95.04992	5.7
95.08616	100.0
97.06557	2.2
97.10169	8.2
103.05509	2.4
105.04553	2.1
105.07040	51.1
107.08606	70.6
109.06543	1.4
109.10168	68.5
110.10544	1.9
111.08157	1.8
111.11761	3.6
115.05463	1.7
117.07025	6.6
119.08594	56.5
121.06570	1.2
121.10156	51.7
122.10526	1.2
123.07992	1.1
123.11716	29.2
125.09715	1.2
127.75933	1.1
128.06262	2.1
129.07051	2.6
131.08585	16.4
133.10143	36.3
135.11699	37.1
137.09691	1.5
137.13275	9.3
142.07806	2.0
143.08588	9.6
144.09415	1.4
145.10138	30.9
147.11699	32.1
149.13277	32.1
151.14868	3.1
155.08592	3.0
156.09410	3.7
157.10141	15.1
158.10913	1.7
159.11710	35.0
161.13264	25.3
163.14836	17.6
165.16418	1.7
169.10173	4.4
171.11722	15.9
173.13275	22.8
175.14867	20.2
175.16298	1.9
177.16405	14.1
181.10175	1.7
183.11690	6.2
185.13269	11.9
187.14832	15.1
187.16176	1.1
189.16405	17.3
191.18010	4.9
193.10294	1.3
194.10995	1.2
195.11707	2.6
197.13289	6.6
198.14017	1.5
199.14833	11.5
201.16397	12.8
203.17972	13.6
205.19611	1.8
207.11719	1.3
209.13338	3.1
211.14787	7.0
213.16412	10.3
215.17972	12.7
217.19626	7.5
223.14847	2.3
225.16414	5.9
227.17976	7.7
229.19550	7.4
231.21233	3.3
237.16246	1.6
239.18054	3.9
241.19658	5.7
243.21046	8.1
245.22784	5.1
251.18018	1.6
253.19714	3.4
255.21114	5.4
257.22598	5.9
259.24252	2.7
267.21207	3.8
269.22726	5.1
271.24310	4.3
279.21292	1.3
281.22775	4.8
283.24362	4.5
285.25940	1.1
293.22687	2.3
295.24362	2.9
297.25949	2.5
300.83652	1.4
307.24197	1.9
309.25925	1.9
311.27359	1.6
321.25714	1.3
323.27429	3.2
325.29129	1.4
337.29062	2.4
339.30563	1.2
351.30750	1.4
363.30469	1.7
365.32303	1.5
391.33923	1.6
405.35895	1.5
557.46948	1.4
621.54486	1.3
634.00543	1.3
733.63562	1.3
811.70990	10.9
829.72235	67.0
830.72925	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	828.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	87.4
62.08452	1.6
65.03928	4.2
67.05509	48.5
67.95528	1.6
69.03439	11.2
69.07064	7.9
70.06589	2.3
71.04984	4.9
73.02921	28.5
79.05499	38.3
81.03410	6.8
81.07062	56.7
83.04997	2.5
83.08611	6.7
85.02908	100.0
85.06527	6.7
90.53703	1.5
91.03963	80.9
91.05476	22.9
93.06490	2.8
93.07052	48.3
95.04955	3.6
95.06115	1.8
95.08610	40.4
96.08923	1.8
97.02901	47.0
97.06531	3.4
97.10188	2.6
99.04440	5.0
99.08078	6.3
100.56813	1.5
102.22425	2.0
103.03931	4.1
105.07046	17.1
107.08604	29.4
109.02897	3.0
109.06515	2.4
109.09491	2.1
109.10167	30.6
111.08060	3.9
113.09642	5.1
115.03937	4.7
117.07032	9.0
119.08594	18.5
121.09323	2.6
121.10155	35.1
123.08108	3.2
123.11716	14.7
125.09637	3.4
127.03924	33.9
131.08585	22.4
133.10143	21.6
135.08063	2.1
135.11696	46.2
137.09599	3.2
137.13249	4.5
139.11205	2.3
145.04965	55.3
145.10112	16.9
147.11700	13.1
149.09628	2.9
149.13272	25.7
151.11217	3.3
159.11696	22.6
161.13278	5.6
163.06029	94.0
163.11142	3.2
171.11700	1.7
173.13266	15.9
176.78102	1.8
177.12761	3.3
187.14795	4.5
189.16452	2.0
191.17972	1.9
205.19565	11.9
215.17964	75.4
216.18254	2.3
229.24159	1.6
233.19028	99.8
234.19411	3.1
235.20500	1.8
251.20117	5.1
279.73355	1.7
307.22665	27.5
317.97623	1.6
325.11334	4.1
325.23755	59.8
326.23947	2.2
403.06088	1.6
469.28018	10.6
567.40924	1.7
663.09534	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	826.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05003	4.9
60.08168	2.6
61.02659	0.7
61.02929	9.6
65.03928	1.6
67.05509	61.3
68.05847	0.6
69.03405	1.9
69.07072	6.6
69.20100	4.5
70.06579	1.3
71.05009	2.8
71.07359	1.3
71.08637	17.7
73.02916	2.8
78.08974	0.4
79.05470	2.0
81.03424	1.2
81.06609	0.9
81.07064	18.2
83.04969	0.6
83.08158	0.7
83.08620	10.2
84.55476	0.4
85.02908	10.9
85.06561	2.6
85.10188	10.9
86.09708	10.2
87.04456	1.1
89.06027	1.4
91.03442	0.5
91.03970	7.1
91.05489	4.2
93.07030	2.7
95.04948	1.2
95.08616	17.6
96.07024	0.4
96.08936	0.6
97.02907	6.2
97.10178	3.6
98.98440	1.4
99.04433	0.9
103.07581	1.0
104.10709	1.4
105.07027	0.6
107.08585	1.2
109.02840	0.7
109.10163	62.2
111.08045	1.9
115.03878	0.6
116.07085	1.1
117.07003	0.7
119.07788	0.6
119.08581	4.4
120.50776	0.4
123.11726	2.8
125.00012	6.0
127.03875	2.6
132.23479	0.5
133.10146	0.6
137.09616	2.8
137.13229	0.9
145.04977	3.1
155.10661	4.7
163.06041	3.6
173.11740	13.9
175.13416	0.6
184.07359	28.4
192.26872	0.4
192.34753	0.4
219.25543	0.5
229.14366	76.6
230.14693	1.3
239.23665	2.4
257.24857	1.4
313.27383	74.3
313.81403	0.5
314.27731	3.0
373.18713	1.5
402.80157	0.7
467.37360	100.0
468.37662	4.0
826.50708	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04993	2.2
61.02922	2.7
64.22259	1.1
65.03952	4.1
67.05507	21.9
69.03446	9.3
69.07077	13.7
70.06628	3.0
71.01366	1.3
71.04998	64.0
71.09099	2.8
73.02919	4.7
75.04477	3.1
77.03936	1.9
79.05497	27.8
81.03413	5.5
81.07064	67.9
83.04980	13.8
83.08630	6.7
84.08163	1.7
85.02911	100.0
85.06521	2.7
87.04485	2.9
91.04910	2.0
91.05485	41.1
93.07048	76.7
93.95286	1.3
95.04988	7.7
95.08615	43.0
97.02919	6.8
97.06531	5.0
97.10191	1.9
99.04460	4.1
103.05431	1.7
105.04525	2.8
105.07040	63.2
107.08603	53.0
109.06532	5.4
109.10167	27.2
111.04459	7.1
111.08098	9.9
115.05450	2.1
117.07020	9.7
119.08591	46.4
121.06536	2.2
121.10152	30.1
123.04433	1.3
123.08053	5.4
123.11713	8.8
125.09647	14.1
127.03930	5.5
128.06242	2.8
129.05492	28.3
129.06943	7.0
130.07787	3.1
131.08575	23.8
132.09305	1.3
133.09138	1.7
133.10135	26.4
135.08092	2.7
135.11737	14.1
136.06186	3.2
137.09613	3.7
137.13272	1.3
141.07010	1.5
142.07800	3.3
143.08553	10.2
144.09303	3.0
145.04991	4.2
145.10124	28.3
145.43567	1.4
147.06541	9.3
147.08025	1.5
147.11699	22.9
149.09642	5.0
149.13255	11.7
151.07570	1.5
151.11212	6.1
155.08527	3.0
156.09384	3.3
157.10138	16.7
159.11714	26.1
161.09601	2.2
161.13264	18.6
163.11223	3.6
163.14877	3.9
168.09422	1.4
169.10176	4.4
170.10898	1.3
171.11728	11.3
173.09637	2.3
173.13280	11.7
175.11137	1.6
175.14879	11.8
177.16397	3.6
183.11720	3.6
185.13316	8.0
187.14809	8.1
189.12785	1.6
189.16394	4.6
197.13275	3.8
199.14830	6.8
201.16423	8.9
203.14296	2.1
211.14818	1.8
213.16435	12.7
214.16850	1.6
215.18008	1.7
217.15956	1.8
219.17455	2.7
226.73077	1.4
227.17969	4.8
229.19472	3.9
231.17310	1.3
241.19435	2.1
267.21121	2.8
269.22656	24.9
273.09824	1.4
280.07593	1.2
285.22070	2.0
287.23709	9.8
379.25974	1.5
415.28860	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	826.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	2.5
63.27319	3.2
64.60305	2.2
65.03945	4.1
67.05513	33.1
69.03438	16.2
69.07069	13.1
70.06589	16.3
71.05005	37.7
71.49484	2.9
72.08160	4.6
73.02917	4.4
75.04493	2.8
77.03951	3.5
79.05495	45.8
81.03434	6.8
81.07066	100.0
83.04995	17.1
83.08633	7.5
84.04504	3.2
84.08160	6.1
85.02917	70.6
85.06551	5.9
86.09702	5.3
86.18020	2.4
87.04466	4.6
88.87828	2.4
91.05492	49.2
93.07056	95.5
94.45908	2.5
95.04990	11.9
95.08615	62.5
97.02911	13.1
97.06534	5.3
99.04493	2.8
103.05486	3.4
105.04520	4.5
105.07044	78.2
107.07880	5.4
107.08606	83.1
109.06548	6.0
109.10172	27.9
111.04482	5.0
111.08091	13.0
117.07024	12.1
117.30993	2.5
119.08596	61.9
120.08120	3.3
121.10167	53.5
123.08075	5.0
123.11726	11.0
125.09633	31.0
127.03936	10.7
129.05498	20.3
129.06998	8.2
129.67377	2.6
131.08568	23.4
133.10153	38.7
135.11716	18.7
136.06216	22.3
136.45944	2.9
137.09651	5.3
142.07791	6.2
143.08597	10.0
144.09413	4.6
145.04985	7.9
145.10159	34.8
146.08142	3.5
147.06563	8.6
147.08089	2.7
147.11697	35.7
149.09660	4.3
149.13295	15.3
151.11224	9.3
155.08569	4.7
157.10165	19.3
159.11726	31.1
161.13271	30.5
163.11099	4.7
163.14865	8.3
165.12714	2.9
169.10138	3.0
170.86485	2.6
171.11699	10.6
173.13274	14.9
175.14851	14.5
177.12706	3.0
177.16367	3.2
185.13287	9.3
187.14876	7.5
189.16405	4.7
196.98010	2.8
199.14824	8.0
201.16405	14.6
203.14319	3.0
211.14847	2.6
213.16426	10.8
227.17999	6.2
229.19508	7.9
269.22672	31.6
287.23746	10.9
309.12030	4.4
466.60861	2.6
699.25665	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	826.4432
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05003	2.2
61.02922	6.7
65.03931	4.1
67.05508	35.8
69.03433	17.7
69.07074	20.4
69.97234	6.0
70.06586	9.1
71.04990	5.6
72.08150	1.7
73.02907	3.8
79.05496	36.2
81.03419	10.1
81.07063	100.0
83.05016	7.9
83.08624	7.6
84.08155	3.1
85.02911	72.0
85.06552	1.9
86.09709	2.1
86.30358	1.4
87.04458	2.6
91.03948	3.3
91.05489	46.6
93.07053	65.0
95.04956	8.7
95.08614	64.5
97.02906	19.9
97.06531	2.9
97.10181	4.2
99.04451	4.3
103.05461	2.3
105.04545	3.1
105.07038	89.7
106.07374	2.2
107.04982	2.0
107.08601	60.2
109.02895	6.6
109.06493	3.7
109.10162	41.3
111.04471	1.4
111.08099	2.1
111.11698	1.9
115.05416	3.8
117.07030	18.1
119.06039	1.6
119.08595	70.9
120.08112	1.6
121.06433	2.0
121.10159	38.1
123.08080	4.1
123.11706	16.7
125.09616	2.5
127.03928	12.8
128.06215	3.7
129.07036	10.6
130.07762	3.5
131.08580	33.5
133.10143	45.5
135.08070	1.9
135.11700	22.3
136.06204	42.6
137.09619	2.9
137.13232	5.1
141.07034	2.6
141.09160	2.3
142.07767	7.6
143.08569	22.0
144.09349	5.0
145.04973	21.3
145.10135	50.6
145.69728	1.3
147.11702	33.0
149.13261	23.9
155.08574	3.8
156.09326	5.6
157.10147	33.5
158.10895	2.7
159.11705	54.7
161.09647	1.5
161.13269	26.8
163.06004	9.8
163.11174	2.2
163.14838	19.5
169.10193	4.3
171.11688	21.0
173.13268	31.1
173.14700	2.1
175.11304	1.5
175.14821	19.1
177.12721	2.2
177.16420	4.4
183.11679	3.7
185.13275	15.4
187.14859	13.7
189.12627	1.5
189.16406	12.6
191.14333	2.8
191.17953	2.8
197.13292	3.2
199.14830	24.8
201.16377	14.2
203.17952	11.7
211.14815	2.4
213.16388	32.2
215.17961	10.5
217.15919	4.8
217.19489	2.0
227.17964	9.7
229.19548	7.4
231.17325	1.5
231.20897	1.6
241.19493	5.7
243.17311	1.4
243.21112	1.9
255.21262	2.4
259.24207	2.9
267.21255	1.4
269.22653	82.8
270.23047	2.6
283.15192	1.5
287.23749	31.5
305.24692	2.4
431.28210	2.1
442.01929	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	825.5515
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	4.1
67.05511	38.0
69.03429	11.3
69.07069	29.7
70.06588	4.3
71.04986	4.0
79.05500	30.5
81.03416	12.9
81.07063	98.9
83.08638	11.9
85.02927	17.0
87.00826	9.9
91.05492	29.8
93.07048	75.8
95.04985	7.4
95.08615	100.0
97.02892	24.0
97.06565	2.6
97.10163	7.9
99.04438	4.9
105.01886	4.5
105.04530	3.0
105.06404	4.3
105.07047	55.9
107.08602	82.2
109.02860	4.8
109.06509	4.8
109.10170	67.5
111.08111	2.4
111.11697	5.4
112.76925	2.3
117.07059	7.2
119.08593	54.6
121.10155	57.3
123.08050	3.9
123.11707	28.7
124.02338	2.4
126.34956	2.3
127.03937	12.4
128.06239	3.6
129.06975	2.2
131.08557	16.9
133.10143	40.1
135.11707	43.2
137.13240	8.8
143.08565	8.8
145.04927	2.6
145.10120	29.7
147.11702	38.0
149.13278	34.2
157.10126	13.7
159.11707	32.4
161.13272	26.9
163.14842	18.0
169.10110	3.8
171.11690	13.1
173.13243	25.6
175.14856	17.9
177.16386	13.5
183.11629	3.4
185.13271	8.9
187.14847	15.9
189.16379	16.3
191.17873	5.4
197.13261	6.6
199.14838	9.2
201.16435	11.6
203.17961	13.4
205.19409	2.7
211.14772	5.0
213.16394	9.5
215.18030	10.6
217.19519	7.7
225.16335	3.0
227.17972	6.8
229.19482	6.3
229.83559	2.4
231.04938	3.9
231.21048	2.6
239.17883	3.3
241.19492	6.0
243.21198	5.3
253.19618	3.1
255.21109	3.6
257.22580	4.5
259.24271	3.3
269.22644	7.7
271.24161	5.7
281.22577	2.7
282.06927	2.4
283.24286	5.2
287.03662	4.4
287.23572	3.0
289.05264	10.1
295.24011	2.9
405.35199	2.9
515.29755	5.1
533.30652	2.9
541.47345	7.2
559.28894	44.4
559.48651	29.0
560.29150	5.2
561.30402	7.1
577.29633	3.6
781.37036	4.0
825.35510	14.9
825.52173	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	825.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03957	0.7
67.05508	2.1
68.05047	0.9
69.03455	1.3
69.07077	1.1
70.06599	4.2
70.09184	3.4
72.08176	1.4
78.49478	0.8
79.05495	1.5
80.14819	0.7
81.03403	0.8
81.07063	3.9
82.22575	0.7
84.08151	2.7
85.02910	2.0
86.09721	2.0
91.05486	2.9
93.07067	4.2
95.05009	1.2
95.06107	2.5
95.08620	2.9
96.06448	0.8
97.02906	1.1
98.21555	0.9
99.04497	0.8
105.07063	2.6
107.08611	3.9
109.10176	1.9
109.35201	0.7
112.08718	1.4
119.01897	0.9
119.08625	2.0
120.76809	0.7
121.10184	2.2
127.00080	5.2
127.03957	1.4
129.10242	1.1
132.67419	0.7
138.10300	2.8
143.01875	1.0
145.10139	0.9
147.11723	0.8
148.19043	0.8
159.11757	1.0
160.50830	0.7
161.13356	1.0
185.04289	2.9
190.45711	0.7
203.20667	0.7
229.03392	1.0
243.04903	1.4
245.06450	1.7
247.82356	0.7
268.79276	0.8
271.04440	1.0
273.34253	0.8
287.03915	1.2
289.05334	7.4
473.28516	1.5
515.29706	9.1
517.31342	9.5
518.32465	0.9
559.28851	44.1
560.29291	3.0
561.30420	24.4
562.30872	1.7
577.21497	0.9
577.29401	3.5
737.36975	5.2
739.35767	1.7
781.36255	19.6
782.36963	1.0
786.54224	0.9
825.35217	100.0
826.35767	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	825.5515
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	4.1
67.05511	38.0
69.03429	11.3
69.07069	29.7
70.06588	4.3
71.04986	4.0
79.05500	30.5
81.03416	12.9
81.07063	98.9
83.08638	11.9
85.02927	17.0
87.00826	9.9
91.05492	29.8
93.07048	75.8
95.04985	7.4
95.08615	100.0
97.02892	24.0
97.06565	2.6
97.10163	7.9
99.04438	4.9
105.01886	4.5
105.04530	3.0
105.06404	4.3
105.07047	55.9
107.08602	82.2
109.02860	4.8
109.06509	4.8
109.10170	67.5
111.08111	2.4
111.11697	5.4
112.76925	2.3
117.07059	7.2
119.08593	54.6
121.10155	57.3
123.08050	3.9
123.11707	28.7
124.02338	2.4
126.34956	2.3
127.03937	12.4
128.06239	3.6
129.06975	2.2
131.08557	16.9
133.10143	40.1
135.11707	43.2
137.13240	8.8
143.08565	8.8
145.04927	2.6
145.10120	29.7
147.11702	38.0
149.13278	34.2
157.10126	13.7
159.11707	32.4
161.13272	26.9
163.14842	18.0
169.10110	3.8
171.11690	13.1
173.13243	25.6
175.14856	17.9
177.16386	13.5
183.11629	3.4
185.13271	8.9
187.14847	15.9
189.16379	16.3
191.17873	5.4
197.13261	6.6
199.14838	9.2
201.16435	11.6
203.17961	13.4
205.19409	2.7
211.14772	5.0
213.16394	9.5
215.18030	10.6
217.19519	7.7
225.16335	3.0
227.17972	6.8
229.19482	6.3
229.83559	2.4
231.04938	3.9
231.21048	2.6
239.17883	3.3
241.19492	6.0
243.21198	5.3
253.19618	3.1
255.21109	3.6
257.22580	4.5
259.24271	3.3
269.22644	7.7
271.24161	5.7
281.22577	2.7
282.06927	2.4
283.24286	5.2
287.03662	4.4
287.23572	3.0
289.05264	10.1
295.24011	2.9
405.35199	2.9
515.29755	5.1
533.30652	2.9
541.47345	7.2
559.28894	44.4
559.48651	29.0
560.29150	5.2
561.30402	7.1
577.29633	3.6
781.37036	4.0
825.35510	14.9
825.52173	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	825.352
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05441	1.7
68.04993	0.6
68.11701	0.6
69.03355	0.6
69.07021	0.9
70.06516	3.5
71.50500	1.0
72.98051	0.7
79.05434	1.5
81.06973	4.4
83.08553	1.1
84.08072	1.8
85.02827	1.8
86.09657	1.3
91.05378	2.0
91.05895	0.8
91.64635	0.7
93.07055	3.2
93.82950	0.7
95.08602	3.4
97.02823	1.3
105.06930	2.2
107.08497	3.0
109.10060	2.0
119.01861	1.1
119.08490	2.3
121.10036	1.6
126.99925	2.8
131.08441	0.9
133.10062	1.3
137.10310	0.7
143.01880	0.9
147.11607	0.9
161.02904	1.2
173.13177	0.9
184.07219	0.8
185.04147	2.3
215.18045	0.8
227.05121	1.1
229.03070	0.9
230.18369	0.6
243.04550	2.1
245.06210	2.8
246.64307	0.7
271.04077	1.5
287.03751	7.1
289.05347	23.8
289.08649	1.1
298.32901	0.6
331.06525	1.0
373.03790	1.0
375.05322	1.6
455.27570	0.9
473.28342	2.8
475.30069	1.0
493.73096	0.8
515.29749	11.1
517.31451	9.7
533.30701	2.3
559.28821	100.0
560.29175	5.8
561.30389	22.6
577.29944	7.3
737.36737	3.7
739.35736	1.5
781.36188	15.2
782.36261	1.4
825.35211	65.5
826.35248	5.9
844.35205	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
61.38775	1.0
67.05510	3.2
67.88955	1.0
69.07082	1.4
69.38274	5.4
69.38683	2.6
70.06615	2.5
79.05506	2.7
80.58544	1.1
81.03407	1.2
81.07047	7.3
85.02920	2.3
87.00897	1.2
91.05499	2.9
93.07061	5.9
95.08627	5.0
105.07041	4.3
107.08610	3.9
109.02866	1.4
109.10190	3.1
119.01973	1.5
119.08593	3.3
121.10181	3.5
127.00056	5.1
133.10139	1.6
135.11731	2.7
142.49606	1.1
143.01930	1.2
145.10068	1.2
147.15903	1.0
149.13324	1.5
152.73549	1.2
157.03593	1.3
159.11768	2.4
161.13277	2.3
185.04245	3.0
186.15648	1.2
201.36548	1.1
203.05386	2.5
221.05138	1.5
223.01028	1.1
227.05373	2.1
243.04901	3.2
245.06355	6.4
271.04358	2.5
287.03732	18.4
287.06570	1.3
289.05313	56.4
290.05896	1.4
373.04648	1.1
375.05502	3.4
378.54993	1.3
447.15186	1.1
449.55957	1.1
473.28452	2.6
475.30289	1.6
491.29587	1.2
515.29865	13.3
517.31305	9.9
533.30798	3.0
559.28827	100.0
560.29218	5.8
561.30371	40.7
562.30859	2.2
577.29712	11.3
674.72095	1.3
678.04480	1.2
715.92810	1.2
737.36792	3.0
739.35480	4.3
754.46436	1.2
781.36127	19.4
782.36700	2.3
825.35229	95.1
826.35657	6.5
856.76959	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	824.5518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05022	1.5
61.02914	2.2
65.03935	5.0
67.05506	94.2
69.03428	6.3
69.07070	31.2
69.26804	9.7
70.06597	1.4
71.04977	5.2
73.02918	1.8
77.46021	1.3
79.05494	75.1
81.03414	8.0
81.07056	79.7
83.04976	6.0
83.08621	17.9
85.02889	5.6
85.06542	3.0
86.09697	6.0
87.04474	1.6
91.05482	55.2
93.07044	68.3
93.84305	1.4
95.04959	11.5
95.08608	52.8
97.02892	6.3
97.06532	9.7
97.10172	13.1
99.08075	3.7
105.04514	3.4
105.07034	46.3
107.04937	5.9
107.08597	51.4
109.02879	3.4
109.06523	7.0
109.10155	29.2
111.04426	2.8
111.08078	4.1
117.07011	17.4
119.06113	1.8
119.08578	34.2
121.06522	3.0
121.10143	29.0
123.08045	3.5
123.11723	8.2
125.00003	3.3
125.09623	10.3
126.09886	1.3
127.03904	5.0
128.06236	1.9
129.05562	1.7
129.06975	7.2
131.08568	23.9
133.06557	2.1
133.10136	27.8
135.08044	4.3
135.11688	21.9
137.09650	2.9
137.13306	1.4
138.61938	1.3
139.11134	1.8
143.08592	8.3
145.10132	25.3
147.08089	1.9
147.11687	20.0
149.09627	7.7
149.13249	9.1
151.11151	2.4
155.08525	2.7
157.10193	6.8
159.11693	14.1
161.13246	9.6
163.11159	4.6
163.14789	3.9
165.12749	2.5
169.10103	2.7
171.11697	4.3
173.11832	3.4
173.13251	7.3
175.14803	3.5
177.12807	1.3
179.14323	2.7
183.11707	2.7
184.07344	16.1
185.13266	4.7
187.14873	3.6
189.11218	6.2
189.12749	1.8
189.16396	2.0
195.13741	1.7
197.13274	2.3
199.14804	1.8
201.16489	2.6
203.14417	2.2
215.31920	1.4
217.15881	1.8
219.17424	4.2
221.50839	1.5
227.12767	10.6
229.14359	6.4
229.19463	2.2
235.16856	1.9
239.17943	4.3
243.21103	2.8
245.13918	2.7
247.20642	1.9
255.15826	2.7
257.18994	10.2
258.86624	1.6
259.20633	2.6
261.22141	10.2
267.15942	3.0
269.17496	3.3
270.17334	1.4
275.20053	46.2
277.21750	1.9
293.21072	4.0
331.22589	2.9
333.24173	2.4
335.25790	100.0
336.26044	2.9
349.23743	32.4
367.24625	2.1
373.18311	1.7
431.31046	2.0
489.35901	13.2
501.35229	1.5
505.35263	4.1
515.37219	6.0
529.39026	8.2
545.38464	1.5
569.41779	2.6
609.45111	47.4
610.45386	2.0
627.45984	10.7
712.05511	1.4
824.54431	8.0
825.50653	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	824.5521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04999	2.0
61.02931	1.9
65.03932	6.0
67.05511	98.5
69.03448	9.4
69.07073	27.8
70.90672	3.8
71.04986	4.3
72.81247	1.5
74.26785	1.6
75.67422	1.7
77.03925	2.8
79.04795	1.7
79.05499	77.1
81.03426	10.1
81.07065	100.0
83.04988	10.3
83.08639	14.0
85.02883	5.8
85.06553	3.7
86.09689	5.8
91.05489	65.1
93.07051	87.3
95.04985	11.5
95.08614	66.9
97.02884	4.5
97.06538	10.1
97.10177	8.2
99.08115	2.7
101.05978	2.5
103.05424	1.7
105.04536	2.4
105.07037	54.3
107.04950	4.3
107.08609	45.3
109.06516	6.9
109.10162	31.8
111.08112	3.6
115.05470	2.6
117.07030	28.4
119.07820	2.3
119.08597	33.4
121.06525	2.9
121.10154	32.8
121.71108	1.5
123.08102	3.2
123.11667	6.6
125.00040	2.3
125.09641	4.9
127.03914	4.0
128.06247	2.6
129.07002	9.4
131.08580	31.3
133.10143	29.7
135.08031	4.6
135.11722	15.7
137.09628	3.7
137.13223	2.6
143.08560	6.5
145.10139	21.0
147.11710	13.2
149.09612	6.4
149.13281	9.8
151.11140	2.7
155.08582	2.3
157.10175	7.9
159.11690	16.5
161.13284	8.7
163.11162	5.0
163.14786	2.1
165.12737	1.8
169.10103	4.2
171.11676	6.2
173.04387	2.0
173.11880	2.0
173.13284	9.6
175.14789	3.9
177.12735	4.0
183.11722	4.5
184.07359	19.3
185.13278	4.8
187.14790	3.9
189.12805	2.1
189.16394	2.4
197.13237	3.9
199.14873	3.5
201.16422	3.3
203.14290	3.1
217.15825	4.7
219.17477	4.2
223.43993	1.7
227.12770	2.2
229.14334	8.4
235.16875	2.2
239.17986	2.3
243.20988	2.9
247.20605	2.0
255.15881	4.4
257.19049	9.1
261.22156	9.2
267.15985	3.5
269.17508	11.2
275.20084	19.1
290.47699	1.7
293.21375	2.0
309.20718	9.8
331.22476	2.4
333.24173	2.2
335.25827	99.2
336.25989	3.6
349.23804	16.4
351.25281	1.8
489.35672	6.0
515.37219	8.7
529.38959	30.3
543.39832	2.9
569.42047	29.7
581.73651	1.9
591.43439	1.7
609.45087	20.4
627.46002	5.2
691.22192	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	824.5519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05002	7.4
60.08152	4.5
61.02921	2.2
62.06086	1.9
65.03927	6.3
67.05507	100.0
69.03422	8.4
69.07071	21.7
71.04977	4.7
71.07365	3.0
71.51270	2.1
73.02898	1.7
74.34667	1.5
77.91081	1.4
79.05497	70.0
81.03416	10.6
81.07064	75.5
83.04990	7.3
83.08624	16.8
85.02885	4.8
85.06540	5.1
86.09712	28.3
91.05486	57.2
93.07049	64.3
93.07642	2.8
95.04974	10.0
95.08614	51.2
97.02876	5.9
97.06539	8.8
97.10181	11.8
98.98479	3.6
99.08105	2.3
103.05458	2.0
105.04501	2.7
105.07037	41.1
107.04949	6.6
107.07879	2.8
107.08599	49.5
109.06522	5.5
109.10162	39.1
111.08062	4.7
115.05355	1.6
115.28130	1.4
117.07026	16.0
119.08588	33.5
121.06496	3.0
121.10145	30.1
123.08058	4.4
123.11734	8.1
125.00001	13.6
125.09620	11.3
127.03909	3.2
128.06238	3.2
129.06998	6.4
130.07808	1.7
131.08588	20.0
133.10147	21.5
135.08084	4.8
135.11699	15.8
137.09621	5.5
137.13281	2.0
139.11037	2.4
141.06937	2.6
143.08557	5.1
145.06383	1.6
145.10126	22.8
147.11687	16.6
149.09634	9.0
149.13258	9.0
155.08536	2.9
155.10713	1.6
157.10127	6.0
159.11717	16.1
161.13240	8.0
163.11156	5.5
163.14821	3.6
169.10092	4.6
171.11703	4.5
173.11734	5.7
173.13254	10.4
177.12801	3.5
179.14258	1.9
183.11679	4.8
184.07358	80.9
185.07692	1.7
185.13232	4.8
187.14738	3.4
189.11261	7.2
195.13768	1.5
197.13190	2.8
201.16383	2.1
203.14360	1.9
215.17960	1.6
215.63817	1.6
219.17290	2.9
227.10788	2.2
227.12785	17.5
229.12236	0.9
229.14360	22.6
239.17911	2.9
243.21033	4.6
247.20615	2.2
255.15881	2.7
257.19095	7.6
259.20709	3.7
261.22177	15.7
267.15933	2.5
269.17407	5.1
275.20081	37.8
293.21198	3.3
317.24832	3.1
333.24097	2.7
335.25812	83.3
336.26166	2.9
349.19812	3.0
349.23721	34.7
367.24551	2.1
489.29010	2.3
489.35754	32.6
505.35486	2.1
513.39539	2.6
529.38837	3.6
569.41815	1.6
609.45166	35.7
610.45148	3.0
627.45587	4.6
662.22095	1.6
747.51910	1.7
806.52850	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	822.5426
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.6
57.07081	3.1
59.04987	0.8
67.05512	8.7
69.03436	3.7
69.07076	30.1
70.06600	1.8
71.05008	1.2
71.06843	1.3
71.08633	2.5
73.06564	7.8
79.05505	2.6
81.03430	1.6
81.07063	12.9
83.08627	14.2
84.08142	1.1
85.02909	9.7
85.10188	1.9
86.09712	1.3
87.04473	10.0
89.06039	100.0
91.05499	1.8
93.07057	2.6
95.08060	1.1
95.08618	13.6
97.02894	3.0
97.10176	20.3
99.04494	0.6
105.07041	2.0
107.07079	1.8
107.08618	2.0
109.02903	1.6
109.10165	9.3
111.11723	12.1
116.33724	0.6
117.09133	7.6
119.08628	1.7
120.08132	0.7
121.10149	1.6
123.11735	3.5
125.13303	1.9
127.03934	1.1
130.08694	0.7
131.07045	3.0
133.08614	56.6
135.11707	0.8
137.13280	1.9
149.13272	0.8
151.09673	1.2
161.11781	2.3
175.09709	1.9
177.09677	1.2
177.11244	26.3
184.07303	0.8
193.19608	1.3
195.12335	0.7
211.20578	0.8
219.12312	1.3
221.13860	6.8
239.14960	1.5
255.23221	13.0
255.25858	0.7
265.16583	2.4
279.96249	0.6
283.17685	2.8
299.25793	7.1
309.19138	2.9
317.27002	0.7
327.20239	1.3
353.21890	1.2
367.06818	0.7
371.22913	1.1
405.32242	1.4
449.34753	0.9
459.28070	4.9
537.39789	0.9
581.42786	2.1
618.63165	0.7
625.45306	21.9
626.45898	1.1
643.46173	1.5
822.53333	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	20.2
58.79119	1.4
61.02933	67.3
65.03941	2.7
67.05178	2.7
67.05513	32.7
69.03439	27.2
69.07079	9.2
70.06594	2.9
71.01352	4.4
71.04998	6.3
71.50719	1.9
73.02925	22.7
78.31990	1.2
78.94028	1.4
79.05502	22.3
81.03428	25.2
81.07066	34.2
82.18668	1.4
83.01321	1.5
83.04981	3.8
83.08632	4.1
84.08160	1.5
85.02914	100.0
85.06528	1.6
86.03223	1.3
86.09712	2.3
87.04476	4.0
91.03965	52.7
91.05492	19.2
93.07056	25.6
95.04973	4.3
95.06099	2.7
95.08617	24.7
97.02898	78.0
97.06544	2.7
97.10156	2.6
99.04478	11.3
101.02398	3.7
103.03960	12.4
105.07047	12.4
107.04978	1.7
107.08597	13.4
109.02880	12.2
109.06531	2.4
109.10159	11.9
111.04443	3.2
111.08056	1.8
115.03951	6.1
117.05455	1.8
117.07023	4.9
119.04982	1.8
119.08608	10.9
121.06527	1.4
121.10136	12.5
123.04466	1.5
123.11723	4.7
125.00025	1.4
127.03934	35.1
129.05508	4.2
129.06995	2.8
131.08604	9.7
133.10126	9.7
135.11696	8.9
136.06212	1.9
137.09631	2.4
137.13283	1.9
143.08627	2.9
145.04985	33.3
145.06270	2.2
145.06496	1.7
145.10146	6.5
147.08031	2.0
147.11723	5.5
149.02377	5.9
149.09680	1.8
149.13303	6.0
157.10194	3.3
159.06534	3.1
159.11685	7.9
161.13268	5.5
163.06036	18.5
163.14828	3.8
169.04875	1.9
169.68617	1.5
171.06529	1.7
171.11749	1.7
173.09764	1.4
173.13286	4.9
183.06512	8.1
184.07372	4.4
185.13158	2.3
187.14845	2.9
193.05023	2.9
199.11305	1.5
201.07616	7.2
211.10945	1.4
213.12845	1.4
228.23216	3.3
241.19339	1.8
243.21068	4.3
259.20706	3.0
261.22177	14.6
291.23419	1.6
301.21658	1.5
303.23367	4.2
315.23163	2.1
317.24774	1.3
335.25824	53.8
345.23941	1.5
351.22974	2.2
363.25436	2.7
369.24396	4.5
377.27002	3.4
387.25272	2.0
395.17795	1.5
405.26022	1.7
419.27704	1.9
443.27988	6.1
461.29117	3.7
479.30142	14.3
608.95630	1.6
677.65393	1.7
821.48499	2.0
822.36755	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	820.5932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04994	23.0
64.17427	8.6
67.05513	43.0
68.22974	8.1
69.07047	10.2
70.06568	8.9
71.17270	12.8
79.05471	31.9
81.07063	50.5
86.09689	18.4
91.05462	14.2
93.07023	29.1
95.08603	35.0
102.06422	10.3
104.87282	9.0
107.08575	14.4
109.10133	10.9
112.08831	9.7
112.95956	10.5
114.05492	10.6
116.07100	10.3
119.08614	12.9
121.10126	13.0
122.10508	9.2
124.99989	18.1
131.08556	14.2
133.10126	11.5
136.06166	13.2
159.11824	10.1
184.07375	62.8
185.07526	7.5
261.22211	9.1
269.39948	9.2
335.25830	100.0
336.26141	27.0
337.27087	10.0
396.51001	11.6
552.87933	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	820.396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	3.4
57.07069	1.8
61.02929	2.9
62.29486	1.7
65.03942	3.7
67.05510	37.9
69.03431	23.5
69.07073	17.7
70.72155	2.4
70.72476	2.4
71.04984	3.2
73.02892	1.6
79.05499	32.4
80.05860	1.3
81.03428	19.0
81.07061	100.0
82.07373	1.6
83.01328	1.8
83.08636	9.0
85.02908	42.1
87.00833	20.1
87.04459	1.5
91.05483	34.3
93.07047	66.7
95.04996	3.9
95.08611	84.1
96.08945	1.8
97.02894	33.5
97.10159	5.9
99.04454	9.8
101.15593	1.4
103.05481	2.3
105.01879	24.3
105.07038	60.2
107.08602	86.1
109.02878	19.4
109.10162	67.2
111.11739	2.2
117.07040	6.4
119.08588	73.7
120.08934	1.8
121.10149	60.0
123.11703	25.2
127.03925	45.6
129.06995	2.1
130.07794	1.6
131.08592	15.9
133.10150	31.4
135.11699	28.7
137.13283	5.7
144.09317	1.7
145.04970	16.8
145.10132	22.7
147.11690	35.4
149.13261	41.9
157.10132	2.3
159.02917	5.6
159.11699	36.8
161.13261	40.2
163.14815	30.0
166.07153	1.4
173.13281	15.5
175.14868	22.1
177.16396	14.0
187.14821	11.7
189.04013	2.2
189.16402	17.1
191.17969	4.2
199.14886	2.4
201.16412	17.3
203.17982	14.8
213.03944	4.3
215.17979	35.3
215.19954	2.9
229.19569	6.1
231.05019	20.5
231.21046	3.7
243.20979	2.2
249.06136	7.5
271.24231	54.5
272.24561	2.1
289.25247	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	820.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	4.9
57.07082	4.3
58.06569	0.9
61.02927	5.6
61.26019	0.9
65.03940	5.4
67.05508	39.9
68.99794	4.5
69.03433	28.2
69.07072	19.2
69.67088	0.7
70.94322	0.7
70.95135	1.1
70.95458	1.2
71.05007	4.6
73.02918	5.0
74.19199	0.8
77.03918	2.0
79.05498	31.4
81.03420	34.0
81.07059	100.0
83.04989	1.2
83.08620	7.6
85.02908	62.1
86.06068	2.0
87.00308	1.6
87.00835	30.5
87.04466	5.5
91.03956	2.0
91.04909	1.6
91.05483	35.7
93.07049	74.5
94.07314	1.1
95.04964	5.2
95.08612	80.5
97.02894	29.0
97.06543	1.3
97.10165	3.2
99.04466	14.1
101.84303	0.8
103.03881	1.0
103.05463	2.5
104.07108	7.9
105.01186	1.6
105.01872	24.6
105.04516	2.3
105.07037	63.3
107.04913	0.9
107.08600	89.3
108.08898	1.4
109.02127	1.7
109.02884	36.6
109.06517	2.3
109.10161	62.8
111.04435	1.3
111.11716	2.7
115.03938	2.1
115.05459	1.2
117.01854	5.2
117.07024	6.9
119.06046	1.6
119.08586	60.5
120.08971	0.8
121.06490	1.1
121.10152	52.4
123.08050	1.0
123.11714	21.4
125.02389	0.7
126.05510	0.9
127.03925	56.9
127.27293	0.7
129.01851	3.0
129.07027	2.3
130.07791	0.9
131.08592	14.8
133.10139	27.2
134.35226	0.7
135.08061	1.0
135.11697	30.0
137.13219	4.0
143.08531	3.1
144.09308	1.5
145.04961	18.0
145.10129	19.9
147.02870	3.1
147.11688	34.1
148.12119	0.8
149.13264	33.9
156.09306	0.9
157.10136	2.9
158.10895	1.0
159.01703	1.3
159.02910	15.8
159.11705	29.7
161.13264	34.1
162.13536	0.9
163.14819	25.5
169.04897	1.3
171.11740	2.2
171.74464	0.8
173.13260	11.7
175.14853	20.4
177.03938	1.1
177.16396	14.0
183.11810	1.0
185.13243	1.5
187.14824	10.4
188.25050	0.8
189.03938	2.3
189.16402	10.0
191.17889	2.7
193.15814	1.0
199.14818	1.4
201.16394	15.7
203.17979	13.5
213.03961	5.7
213.16389	1.6
215.17967	30.2
216.18402	1.8
217.19476	1.4
227.17963	0.9
228.18559	0.9
229.19514	4.3
231.04996	17.2
231.21123	2.1
243.21030	1.5
245.22737	0.9
249.06071	4.6
256.95044	0.8
269.22598	1.3
271.24216	44.9
272.24509	1.6
273.06046	3.8
284.09808	1.4
289.25281	3.6
320.44247	1.0
339.07083	1.7
357.08090	1.6
461.09470	1.8
501.28528	1.1
554.32965	2.1
847.87372	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.0
57.07061	3.4
65.03933	1.9
67.05510	35.5
69.03092	1.6
69.03435	21.8
69.06747	1.2
69.07076	19.1
69.36599	1.0
71.04983	4.1
79.05495	33.9
81.03427	15.9
81.07063	100.0
83.01337	1.1
83.04993	1.1
83.08624	9.0
85.02441	1.7
85.02911	25.9
87.00834	15.6
87.04452	2.1
91.05485	30.1
93.07051	69.0
93.90649	1.2
95.04963	4.0
95.08614	79.5
96.08932	1.3
97.02303	2.0
97.02900	36.8
97.06503	1.2
97.10205	5.5
98.20670	1.9
99.04462	13.2
103.05435	1.9
105.01867	7.9
105.04549	1.7
105.07034	61.2
107.08604	85.8
109.02879	6.6
109.06523	1.3
109.10164	62.5
111.11700	3.2
117.07031	9.0
119.06093	1.7
119.08588	68.3
120.08862	1.5
121.10152	61.0
123.08064	1.7
123.11718	24.5
127.03925	37.2
131.08574	14.2
133.10136	29.8
135.10704	1.8
135.11702	30.0
137.13248	5.0
143.08545	1.9
144.09325	2.1
145.04958	29.1
145.06026	2.2
145.10136	21.4
147.11702	35.2
148.12048	1.2
149.13268	39.0
153.78909	1.1
157.10141	1.9
159.11702	37.4
161.13269	36.7
163.13486	1.8
163.14841	31.1
171.02863	1.4
172.49008	1.0
173.13263	13.5
175.14832	24.7
175.80544	1.4
177.16409	14.2
185.13351	1.2
187.14838	12.3
189.16388	14.6
191.17979	5.6
192.45451	1.4
201.16393	21.4
203.17955	11.5
213.03802	1.9
215.17966	35.3
216.18408	1.6
217.19513	1.2
222.79172	1.2
229.19576	4.0
231.05022	23.1
231.21092	3.0
249.06093	15.7
271.24228	62.9
272.24530	2.4
289.25327	5.9
332.85602	1.2
340.54486	1.1
454.19455	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.6201
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	29.4
58.07386	0.5
59.05004	3.1
59.09933	0.4
65.90854	0.3
67.05514	0.9
69.07071	4.4
71.04982	0.6
71.08634	30.7
73.02916	1.5
73.06557	11.1
79.87698	0.3
81.07050	1.1
83.08626	4.6
85.10188	18.1
86.09709	1.1
87.04475	12.4
89.06035	100.0
90.06363	0.9
91.07605	1.2
93.07059	0.5
94.48291	0.4
95.08601	0.6
97.10175	6.7
98.21515	1.1
99.11738	2.2
105.07064	0.6
107.07077	1.8
109.10232	0.4
111.11734	2.6
113.06065	0.6
113.13285	2.0
115.07577	0.7
116.07044	0.4
117.09136	10.4
117.09919	0.8
124.99973	0.5
125.13287	1.2
125.97039	0.4
127.14835	1.2
129.84074	0.3
130.08652	2.3
131.07069	3.8
133.08607	53.5
134.08908	0.5
135.10170	1.1
139.14828	0.5
141.16365	1.5
141.93483	0.4
151.39066	0.3
155.17979	1.1
157.08598	0.4
161.11754	2.8
167.44608	0.4
175.09682	2.6
177.11232	18.7
184.07368	3.8
211.24187	1.8
219.12265	0.7
221.13867	3.8
222.15973	0.4
223.15309	0.7
229.03130	0.5
239.14842	0.7
255.26764	1.5
265.16443	1.2
283.17407	0.7
299.29495	5.2
309.19055	0.6
313.27353	0.6
343.32114	3.2
346.32986	0.4
353.21564	0.5
461.91833	0.4
510.73807	0.4
547.32709	0.4
581.46344	0.5
801.58496	1.2
818.62195	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	818.5778
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	11.3
57.77472	4.8
58.32239	4.4
59.04992	21.6
67.05186	4.7
67.05510	51.0
69.07058	18.0
70.06576	4.6
70.74567	13.1
79.05502	30.8
81.07062	44.6
83.08611	7.9
86.09711	37.4
87.04469	5.3
91.05474	26.3
93.07059	35.6
95.08617	42.0
97.06487	5.4
98.98443	7.0
105.07026	17.5
107.08626	25.6
109.10134	22.7
116.07145	6.1
117.07067	6.0
119.08568	15.8
121.10166	19.9
123.11735	8.4
124.99972	17.8
131.08560	15.1
133.10162	9.7
135.11650	9.1
145.10185	5.0
147.06918	4.9
147.11693	8.6
156.02109	4.8
161.13283	6.3
168.82793	5.1
173.13278	7.9
184.07350	100.0
213.63774	4.9
215.86055	4.6
261.22171	14.0
335.25836	73.1
337.27423	8.8
353.06335	5.6
503.91083	5.4
595.47095	12.2
613.48175	12.7
638.76660	5.2
762.81482	5.4
810.89215	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	818.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	7.1
58.06606	10.0
59.05006	1.0
59.07381	4.5
60.08167	76.7
61.02929	3.6
65.03942	2.0
66.87702	0.7
67.05508	12.0
69.03430	20.1
69.07076	4.7
70.06589	1.4
71.04993	1.7
73.02913	1.9
79.05496	13.2
81.03419	11.8
81.07059	24.4
83.04952	0.9
83.08666	1.0
85.02907	100.0
87.04473	2.3
91.03944	1.0
91.05481	16.3
93.07045	35.4
95.04963	3.3
95.08610	20.1
97.02895	18.6
97.10167	0.8
99.04449	5.5
102.09184	29.5
103.03931	5.3
103.05465	1.2
105.04499	1.3
105.07037	17.3
107.08600	32.5
108.09000	0.7
109.02882	9.1
109.06526	0.9
109.10164	13.8
115.03928	1.8
117.06976	1.0
119.08584	11.8
121.10147	11.8
123.11721	3.4
127.03931	19.1
131.08601	2.6
133.10120	6.0
135.11693	8.2
137.13254	0.9
144.10208	15.5
145.04959	9.6
145.10167	2.6
147.11687	8.8
149.13290	4.3
159.11740	3.1
161.13310	4.2
162.11270	1.5
163.06035	0.9
163.14862	3.3
165.05479	0.9
173.13260	1.7
175.14847	2.9
177.16454	1.7
189.16393	1.4
201.16422	1.5
203.18034	2.5
206.10361	1.3
215.18021	3.1
228.41096	0.7
229.07072	5.6
247.08197	2.4
271.24362	2.8
306.15469	4.6
322.14969	2.0
324.16553	20.1
326.20480	0.8
350.14621	2.9
366.14240	1.1
368.15536	41.8
369.15814	0.8
594.39819	5.3
612.40900	1.8
638.28363	1.4
638.38953	22.4
639.39667	0.9
656.40143	5.8
657.40076	1.0
756.45117	3.1
768.79718	0.8
774.34943	0.6
774.46289	23.2
775.46954	2.4
818.45288	39.6
819.45435	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02740	1.4
57.03427	2.4
65.03934	3.2
67.05514	18.7
68.05028	4.7
69.03432	15.7
69.07059	7.1
69.35655	5.3
69.36071	7.2
70.06591	13.2
71.04991	3.2
72.08132	3.9
77.03968	1.9
79.05492	21.2
80.05006	4.5
81.03421	21.4
81.07060	44.1
83.04983	11.5
84.04518	8.1
84.08140	6.5
85.02902	9.5
86.09705	3.3
91.05479	31.3
91.59769	1.6
93.07043	37.9
94.06580	16.1
95.04967	27.9
95.08613	28.1
96.04469	5.1
97.02908	8.7
97.06520	8.3
97.10096	1.4
98.06059	5.6
99.04449	4.2
103.05453	2.6
105.07036	52.7
107.04937	2.7
107.08596	41.1
109.02860	6.9
109.06512	4.0
109.10168	13.4
110.06016	5.1
111.04438	2.0
111.08098	3.7
112.03973	41.1
112.07609	5.3
114.05526	18.1
115.03899	2.1
115.05444	3.9
117.07037	10.7
119.04944	1.6
119.08585	55.1
120.08098	3.0
121.06525	5.8
121.10142	20.5
122.06051	10.1
123.04423	24.3
123.08046	7.4
123.11720	3.2
125.05984	3.3
127.03905	3.3
128.06244	3.1
129.06995	4.5
129.10258	2.4
130.07806	1.7
131.08560	24.7
133.10130	30.0
135.08061	14.1
135.11705	8.9
136.07613	2.2
137.05939	1.9
140.07072	78.7
141.05501	3.5
141.07083	1.9
142.07715	3.5
142.08662	4.7
143.08540	11.2
144.06593	1.9
144.09343	4.6
145.05037	2.2
145.10130	44.5
145.11206	1.5
147.08044	14.7
147.11665	12.1
149.09628	4.0
149.13271	3.4
151.07530	2.0
151.11136	3.2
156.09363	4.2
157.10126	14.4
158.08141	69.3
158.09453	3.9
158.10867	2.5
159.08092	5.4
159.11696	28.4
160.09726	2.4
161.09634	6.5
161.13251	15.4
163.11162	2.1
163.14764	1.6
169.10089	5.9
170.10999	1.6
171.11713	9.5
172.08789	2.7
172.98900	1.9
173.09659	8.5
173.13274	12.9
175.11166	3.8
175.14832	3.1
176.09186	100.0
177.09325	2.0
179.08585	1.9
182.10823	1.7
183.11748	3.7
185.09590	4.3
185.13283	10.7
187.11192	4.6
187.14850	26.6
189.12727	4.7
195.11662	2.2
197.13225	3.3
199.14838	10.5
200.09119	2.0
201.12791	8.0
201.16364	22.2
202.17157	1.8
203.14369	2.3
209.13228	2.7
211.14778	3.4
213.07527	2.1
213.12733	5.0
213.16426	3.3
215.14299	7.7
218.10213	3.1
223.14731	2.6
225.16409	3.0
227.14285	6.3
227.17989	5.3
237.16388	1.7
248.09166	3.0
255.21112	11.7
265.19571	4.7
266.10159	4.8
281.18918	2.0
283.20593	22.4
301.21552	5.4
338.98206	1.6
340.06064	1.7
371.55612	1.8
427.24942	4.5
445.25946	15.0
458.28894	1.7
463.26660	1.8
555.18927	1.8
561.88562	1.8
566.31024	2.1
584.31696	2.7
602.33252	10.9
620.34271	87.3
621.34265	4.9
638.35406	35.0
656.35632	1.9
782.39270	2.8
800.40173	5.1
818.40387	3.0
819.43866	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	817.4718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.3
57.07081	0.7
59.05005	0.6
61.02932	6.5
63.16850	0.4
65.03938	0.5
67.05506	6.8
69.03429	3.2
69.07072	2.4
69.48777	2.5
70.06601	0.6
71.01343	0.5
71.05000	1.0
73.02924	4.7
79.05501	6.3
79.06413	0.4
81.03418	2.1
81.07056	5.4
83.04958	0.5
83.08628	1.3
84.08170	0.6
85.02924	5.2
86.09726	1.3
87.04476	0.6
91.03976	3.4
91.05482	4.5
93.07052	6.5
95.04955	0.9
95.08617	4.4
97.02901	5.4
97.06548	1.5
97.10188	0.5
98.98468	0.8
99.04478	1.5
101.02404	1.9
103.03976	0.5
105.07044	2.1
107.08616	2.7
109.02880	0.8
109.06564	0.4
109.10191	1.8
117.07014	0.9
119.08606	1.5
121.10137	3.3
123.11647	0.5
127.03957	1.8
131.08592	1.4
133.10178	1.3
135.11743	1.4
138.48694	0.5
145.10173	1.4
147.11673	1.0
155.01080	0.8
173.13223	0.6
184.07434	1.8
185.04350	0.9
203.05261	0.5
207.40178	0.4
209.67728	0.5
243.08485	2.2
269.42960	0.5
309.24240	0.7
311.25851	1.5
321.16678	0.5
349.19919	8.1
416.00186	0.5
439.19891	0.9
491.26141	6.6
567.27930	1.9
689.38739	1.2
817.47125	100.0
818.47455	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	816.4745
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	7.2
58.06602	3.4
59.04995	2.0
59.07373	2.1
60.04552	2.3
61.02926	13.5
67.05177	3.5
67.05508	31.7
67.30584	1.9
68.05047	4.4
69.03436	64.8
69.07081	12.2
70.06600	34.2
70.23362	6.5
70.23714	3.0
71.01359	1.8
71.05003	2.8
72.04535	13.1
72.08160	4.8
72.85257	1.9
73.02924	5.8
79.05503	30.9
80.05019	3.3
81.03427	5.7
81.07059	24.8
82.06577	12.3
83.04988	4.8
83.08630	2.3
84.04521	6.3
84.08157	24.0
85.02918	11.6
86.06078	52.4
86.09702	5.1
87.04475	76.8
91.03967	7.3
91.05483	21.4
93.07050	35.9
94.06589	6.3
95.04974	5.7
95.08611	16.5
96.04523	1.9
96.08142	6.6
97.02910	8.8
97.06527	4.4
98.06063	94.9
102.05566	3.2
104.07137	5.5
105.07037	11.1
107.04973	2.9
107.08589	11.9
107.38085	1.9
109.02873	2.0
109.10172	9.2
110.09671	2.7
112.07616	92.4
114.05541	3.8
116.07085	19.6
117.07011	3.9
119.08586	11.8
121.06537	2.1
121.10162	14.5
123.08142	2.5
123.11724	2.8
124.07634	13.1
125.83726	2.4
126.05529	63.8
126.09198	2.0
128.07092	2.7
129.06985	3.3
129.07909	2.8
130.08643	26.6
130.12317	8.4
131.08617	8.7
133.10170	7.7
135.11739	4.0
137.09642	9.9
138.05536	6.2
138.09280	2.0
140.07079	21.5
142.08644	13.7
144.06573	34.2
145.10141	5.3
147.08049	5.0
147.11684	2.6
149.09645	18.4
152.07108	5.9
154.08624	2.0
156.10281	3.9
158.08142	83.5
158.09427	4.5
163.11235	8.0
165.09174	2.8
166.12384	2.8
170.11789	6.3
180.57304	2.1
181.12279	2.6
184.07353	3.8
184.13390	3.0
188.09193	21.6
200.12892	6.7
206.15498	3.0
222.14986	5.0
228.15930	2.6
232.13416	3.5
234.14946	3.7
248.16316	2.1
250.14507	3.0
252.15979	20.1
288.18121	2.7
294.17139	7.6
305.21048	2.4
307.22699	20.7
326.19589	2.6
332.20819	3.3
342.18961	3.1
360.20062	2.8
362.21939	4.7
564.38708	9.8
574.37610	3.7
592.38745	17.9
593.39215	10.1
594.39941	7.0
610.39526	38.7
611.83612	2.2
618.40118	11.5
636.41119	15.3
654.42108	100.0
655.42450	5.9
726.44080	6.0
772.44934	15.7
816.47424	64.6
817.47754	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	815.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
60.58606	0.5
66.96113	0.6
69.83051	0.6
70.06594	2.4
71.50332	0.8
72.08150	0.7
81.07049	1.5
83.01128	0.8
84.08168	1.3
85.02953	0.8
86.09723	1.1
89.06615	0.6
91.05476	0.7
93.07043	0.6
95.01103	1.3
95.08620	0.7
97.02910	0.7
105.07060	0.9
107.08585	1.1
107.23308	0.5
109.03034	0.6
109.10175	0.7
112.01398	0.6
113.02154	1.8
119.51412	0.5
120.08125	0.5
121.10116	0.7
127.03923	0.6
131.24530	0.5
132.80011	0.5
142.08661	0.8
185.04234	4.2
191.52940	0.6
201.03708	1.4
203.05289	1.1
218.27837	0.6
363.09003	14.7
365.10565	6.2
475.30325	3.4
600.81879	0.7
635.33942	6.8
637.35608	19.7
638.35919	1.2
767.63440	0.7
771.35059	0.7
815.40350	100.0
816.40094	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	814.5594
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06637	0.5
59.07383	0.2
60.08168	6.2
67.05499	0.3
69.17751	1.0
71.07379	4.0
81.07048	0.3
86.09711	31.5
87.04478	0.2
87.10058	0.2
91.05440	0.1
93.07069	0.1
95.08603	0.2
98.98473	4.2
104.10752	2.7
105.07086	0.1
107.08548	0.1
125.00014	22.1
136.06192	0.2
143.01071	0.2
155.43202	0.1
184.07353	100.0
185.07686	0.9
244.78410	0.1
248.55907	0.1
714.47345	0.6
721.49847	0.1
796.54993	0.6
814.56232	1.7
815.55634	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
61.87564	0.5
67.05505	0.7
69.03426	0.8
69.07085	1.1
70.06600	4.3
71.50636	0.4
72.08164	1.7
79.05501	1.4
79.43314	0.4
81.03402	0.5
81.07074	2.1
84.04517	0.6
84.08156	1.6
85.02915	1.0
86.09711	1.6
91.05505	1.0
93.07054	1.7
94.06551	0.5
94.39168	0.4
95.01045	0.5
95.08607	1.0
97.02904	1.1
99.52701	0.7
105.07065	1.0
107.08618	1.6
109.10181	1.0
113.02209	0.6
116.07127	0.6
119.08582	0.8
120.08112	0.6
121.10184	0.8
127.03932	0.5
129.10274	0.9
140.07104	0.7
159.11769	0.6
185.04240	0.9
201.03769	3.4
203.05251	0.8
275.07315	0.6
305.08502	4.0
319.10022	1.6
329.08301	0.9
347.09543	3.8
363.09003	44.5
364.09393	1.1
365.10587	24.9
366.14011	0.8
398.16330	0.6
475.30460	4.2
601.65973	0.5
635.33942	4.1
637.35663	12.1
637.46338	0.7
638.36133	0.8
815.40363	100.0
816.40546	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	814.4587
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.1
57.07062	1.3
58.06619	2.5
63.18705	0.9
65.03941	2.4
67.05505	11.3
69.03439	7.4
69.07072	7.4
70.06599	3.3
71.51067	1.3
72.08151	1.3
73.02956	1.1
79.05508	11.0
81.03416	3.5
81.07064	37.8
83.08633	2.0
84.08133	1.8
85.02891	5.0
86.09707	1.4
87.04488	1.9
91.05492	13.2
93.03396	1.0
93.06483	1.8
93.07053	25.8
95.04978	31.9
95.06060	1.1
95.08614	17.4
96.49684	1.0
97.02886	13.2
97.10181	1.6
99.04475	1.3
101.79273	0.9
102.09196	6.3
103.05479	3.5
105.04523	1.6
105.07042	27.6
107.01307	6.8
107.04955	9.0
107.08609	16.3
109.02934	2.4
109.10169	10.6
112.07626	1.3
114.05547	5.1
116.07102	2.4
117.07044	3.0
118.08660	2.3
119.08595	13.8
121.02882	19.6
121.06507	20.8
121.10151	13.3
123.08075	25.8
123.11707	4.1
125.02339	11.5
127.03933	4.5
131.08588	3.0
133.10117	8.5
135.11684	6.5
136.06203	1.5
139.03908	1.3
142.04984	2.6
145.05000	1.2
145.10123	7.3
147.11708	6.4
149.05991	55.7
149.13284	7.6
150.06554	1.1
157.05055	1.2
159.11722	8.1
160.06081	2.5
161.13255	6.9
163.14877	4.6
167.07053	100.0
168.07373	1.6
173.13280	3.7
175.14804	5.3
177.16393	2.3
184.07368	4.1
185.08105	60.1
187.14856	2.9
189.16389	2.8
201.16418	4.8
203.18018	1.7
215.17911	7.5
229.19461	1.3
230.74704	1.0
231.21075	1.2
271.24234	14.1
293.10355	1.6
306.56824	1.2
311.11243	8.6
319.77600	1.2
329.12335	12.4
385.89816	1.1
652.40668	2.4
814.51959	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	814.459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07094	2.3
57.82548	1.6
67.05509	20.2
69.03432	8.5
69.07076	12.5
69.15456	12.9
69.15868	4.9
70.06576	5.2
72.08161	2.9
73.02922	1.9
79.05501	16.1
81.03421	7.6
81.07057	53.4
83.05004	2.7
83.08624	5.9
84.08134	2.3
85.02885	4.1
86.09712	2.9
87.04474	2.7
91.05482	20.0
93.07048	38.2
95.04966	35.5
95.06073	3.7
95.08610	27.3
97.02894	19.1
98.21565	3.1
99.04430	2.1
102.09179	8.7
103.05457	6.4
105.04528	2.7
105.07037	47.2
107.01292	10.7
107.04966	11.2
107.08599	35.1
109.10162	22.0
111.11657	1.9
116.07066	2.8
117.07010	5.2
118.08660	3.2
119.07819	2.4
119.08585	29.7
121.02868	23.2
121.06512	26.9
121.10156	24.1
122.63820	2.4
123.08067	29.6
123.11693	8.0
125.02322	11.3
127.03882	3.6
131.08592	6.1
133.10149	13.9
135.11696	10.7
136.06233	3.4
145.10155	13.3
147.11650	13.3
149.05984	68.8
149.13281	15.1
159.11694	18.4
161.13252	16.1
163.14842	12.1
167.07043	100.0
173.13348	9.4
175.14882	9.2
177.16399	4.7
184.07353	6.1
185.08095	52.9
187.14847	5.5
189.16383	7.8
201.16417	13.4
203.17953	2.6
212.42285	1.9
215.17940	17.9
227.97086	1.6
229.19684	2.0
232.89233	1.8
271.24225	39.9
311.11179	8.5
329.12296	4.8
337.97900	1.7
394.86993	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	813.491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	2.3
59.05011	15.0
67.68246	2.1
77.21266	2.0
81.07074	3.6
86.09714	4.3
95.08619	2.4
104.07132	1.8
107.74488	1.8
108.44801	1.6
113.21067	1.9
114.75636	2.0
117.09196	3.4
125.00014	2.5
184.07347	16.3
221.69019	2.2
314.69067	1.9
362.47882	1.9
535.26886	2.4
564.28723	2.2
813.49121	100.0
814.49463	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	813.5126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.5
57.07078	0.7
59.05006	5.1
60.08173	2.7
61.02932	4.5
65.03966	0.7
67.05511	5.0
69.03448	3.3
69.07098	1.4
69.19820	6.8
71.01321	0.8
71.07378	1.2
73.02917	4.8
79.05499	5.5
81.03443	1.9
81.07059	5.1
83.08675	1.3
85.02925	5.2
85.85473	0.6
86.09715	10.0
87.04453	1.0
87.10061	1.3
91.03960	3.8
91.05502	3.1
93.07047	5.5
95.04977	0.9
95.08619	5.4
97.02889	4.2
98.98489	1.8
99.04475	0.7
101.02435	1.2
104.10754	0.7
105.07057	2.8
106.13469	0.7
107.08620	2.6
109.02859	0.8
109.10190	2.2
119.08611	3.0
121.10175	2.2
125.00018	9.5
125.00769	0.8
127.03964	1.3
131.08606	1.6
133.10143	1.5
135.11711	1.2
140.66975	0.8
145.10161	1.4
147.11723	1.5
159.11707	1.0
184.07359	40.9
185.04294	1.0
185.07672	4.6
185.70999	0.7
240.00047	0.6
243.08504	1.8
282.87491	0.7
315.10822	0.7
343.21082	0.7
371.17307	0.8
427.78455	0.7
519.29205	7.7
535.28815	4.8
559.51025	0.7
641.43915	2.4
666.63702	0.8
813.51300	100.0
814.51648	7.5
819.42419	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50814	0.2
58.06625	0.4
59.04998	0.6
60.08169	7.2
67.05501	0.6
69.91750	0.2
70.06612	0.3
71.07378	4.2
71.51602	0.3
74.79460	0.2
78.39570	0.2
79.05515	0.4
81.07060	0.7
86.09713	31.5
91.05478	0.3
95.08623	0.6
98.98474	4.0
101.06024	0.6
104.10750	2.6
111.70240	0.3
117.09138	0.3
119.08611	0.3
125.00013	22.6
135.11729	0.4
184.07356	100.0
185.07718	0.8
185.46281	0.2
196.66359	0.3
577.29413	0.3
601.65546	0.3
629.47552	0.3
779.18884	0.3
812.54309	3.3
813.48950	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	18.0
57.07074	4.4
59.04997	2.7
61.02919	6.1
65.03931	5.8
65.66826	1.4
67.05510	86.9
69.03436	18.3
69.07075	49.2
69.07446	1.0
69.94880	8.8
70.06588	3.7
71.01331	1.7
71.04997	16.5
71.08633	1.9
72.08170	2.3
73.02918	6.9
79.05499	100.0
81.03426	23.8
81.07062	74.9
82.98547	1.6
83.04984	12.9
83.08629	14.1
85.02898	10.4
85.06551	3.5
86.09711	4.7
86.27500	1.8
91.03975	2.0
91.05486	64.7
93.07051	85.1
95.04971	16.8
95.07990	2.2
95.08612	45.6
97.02898	13.3
97.06544	73.4
97.10183	2.6
99.04471	6.2
99.08083	6.5
103.05469	2.2
105.04513	4.2
105.07037	42.8
107.04959	8.9
107.08602	31.7
109.02892	4.5
109.06530	17.8
109.10165	18.7
111.04505	1.9
111.08086	8.1
113.06078	2.4
115.05468	2.7
115.07572	21.2
116.06319	2.1
116.07093	3.9
117.07021	19.9
119.08590	23.2
121.06554	8.4
121.10152	35.1
123.08067	7.0
123.11725	4.0
125.00020	3.1
125.09651	3.9
127.03912	6.9
127.07555	2.5
128.06223	3.5
129.05495	2.7
129.07031	11.5
130.07791	2.2
131.08574	28.6
133.06496	3.4
133.10143	26.8
135.08090	9.7
135.11716	16.4
136.06189	5.2
137.09621	5.0
139.11159	2.1
141.07033	3.7
143.08566	8.5
145.06435	1.8
145.10150	16.9
147.08061	9.2
147.11707	9.0
149.09627	6.9
149.13304	11.1
151.11237	3.1
155.08556	2.2
157.10097	8.9
159.08043	2.9
159.11723	12.4
161.09605	5.8
161.13251	4.4
162.28883	2.1
163.07550	3.3
163.11188	4.2
171.11684	5.2
173.04472	9.6
173.13231	6.2
175.11182	3.3
177.12796	5.9
181.10103	2.1
183.11589	2.5
184.07327	15.2
185.13304	3.8
187.11317	2.3
187.14937	2.5
190.08682	3.5
195.11827	1.9
195.13835	2.8
197.13228	1.7
199.11253	1.8
199.14931	4.1
203.17813	2.0
215.17915	10.9
217.15874	7.4
218.65474	1.8
231.17390	1.8
233.15358	3.7
233.19052	8.1
235.17065	1.8
245.19154	2.1
253.14293	3.3
255.17680	2.9
267.15982	3.2
269.17450	12.1
273.18524	25.1
275.20071	3.0
291.19516	11.5
297.17130	2.4
305.21149	1.9
307.19135	4.2
307.22687	78.4
308.23166	3.1
335.25824	3.9
347.22202	9.4
353.24887	1.9
365.23224	9.5
381.22525	2.0
384.20078	2.0
437.62869	2.0
472.81332	1.7
487.34341	3.1
501.35669	25.8
579.40326	5.5
597.41742	15.6
615.42358	8.9
640.44379	5.2
759.44440	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	811.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
67.79204	0.7
69.20778	0.8
70.25969	1.4
70.26350	1.5
93.48135	0.7
122.32522	0.7
156.04306	1.4
361.04388	0.8
363.06854	14.6
406.81128	0.8
458.07318	0.7
458.43686	0.7
537.92340	0.9
649.11658	13.2
808.30402	0.8
811.17023	100.0
812.17035	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	812.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	17.8
57.07060	4.8
59.05004	14.4
60.08161	3.5
61.02915	5.1
65.03942	4.5
67.05507	83.7
69.03430	11.0
69.07072	29.1
69.15919	24.4
70.06596	4.9
70.39620	2.2
71.04982	8.1
71.08633	2.7
72.08138	3.5
73.02917	2.9
79.05495	98.2
81.03417	17.6
81.07060	86.4
83.04980	11.4
83.08630	16.7
84.08183	2.5
85.02878	8.6
85.06534	6.5
86.09716	23.9
89.06046	4.2
91.04903	3.1
91.05486	59.1
93.07046	100.0
95.04970	18.5
95.08613	49.7
97.02890	10.5
97.06534	28.6
97.10171	13.8
98.21554	5.4
98.98434	3.6
99.08088	6.2
105.04510	3.8
105.07038	41.0
107.04952	10.4
107.08604	40.1
109.02856	2.7
109.06525	31.1
109.10165	22.8
111.08067	4.2
113.06070	2.7
115.05453	2.6
116.07112	5.2
117.07024	18.1
117.09160	3.3
119.08594	30.2
121.06487	8.6
121.09326	3.6
121.10143	39.3
123.08070	16.7
123.11726	5.1
125.00023	14.9
125.09657	14.9
125.98567	2.6
127.03919	4.2
128.06233	3.3
129.07022	9.9
130.07684	3.0
130.08656	2.4
131.08566	30.9
132.80849	2.5
133.06520	2.6
133.08646	3.1
133.10121	23.0
135.08061	9.3
135.11693	17.3
136.06181	5.3
137.05925	2.4
137.09621	5.9
139.11223	2.9
141.07024	4.0
143.08594	10.8
145.10158	19.3
147.08084	10.7
147.11720	14.3
149.09612	9.1
149.13254	8.7
151.11235	5.6
153.09105	2.5
157.10120	9.1
159.08084	2.9
159.11652	12.4
161.09621	6.4
161.13252	2.5
161.16266	2.2
163.11217	6.8
169.09961	2.7
170.27316	2.2
171.11662	5.2
173.09630	3.1
173.13277	7.7
173.47481	2.5
175.11208	4.9
175.14836	2.5
177.12747	3.8
183.11711	2.7
184.07364	67.2
185.13234	2.5
187.11145	3.2
187.14835	3.4
189.11240	5.1
189.16475	2.2
195.13519	3.2
199.14870	4.6
207.13910	2.3
215.17987	11.1
217.15846	2.9
223.13324	3.9
227.12712	7.6
233.19044	7.4
245.19101	2.6
255.17393	4.6
269.17511	3.0
273.18481	23.3
275.20209	2.9
291.16724	3.0
291.19543	18.6
307.22702	79.6
308.23196	3.0
309.24060	3.1
335.25717	10.3
337.20016	5.5
347.22125	11.9
365.23233	7.3
383.24124	4.3
455.42828	2.6
461.32474	2.8
477.31882	2.6
501.35696	7.2
529.35400	4.5
579.40381	8.0
597.41656	20.2
615.42072	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	810.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	18.0
57.07070	1.8
60.08172	3.3
61.02921	2.1
65.03927	4.9
67.05511	57.9
67.39311	1.6
67.85079	1.6
69.03446	7.5
69.07072	14.8
69.39831	12.0
71.04985	6.4
71.07367	2.1
71.08605	2.3
79.05499	74.0
81.03431	12.5
81.06598	3.8
81.07065	68.0
83.04982	11.3
83.08624	10.6
85.02895	4.5
85.06549	3.5
86.09706	14.3
91.03995	1.9
91.05489	41.3
93.07050	59.7
93.13372	1.5
95.04987	13.5
95.08618	35.3
97.02911	4.1
97.06541	17.5
97.10194	9.2
98.98475	2.7
99.08110	4.3
103.05433	1.9
105.04515	2.4
105.07050	27.1
107.04964	18.5
107.08608	21.6
109.02858	2.7
109.06525	23.4
109.10155	13.4
111.04438	5.2
111.08112	3.0
113.06025	3.2
115.07574	2.4
117.07040	13.7
119.08592	19.4
121.02872	11.3
121.06523	18.3
121.10165	28.7
123.04433	5.5
123.08102	9.4
123.11672	2.9
125.00041	8.8
125.05994	6.9
125.09670	7.9
129.06984	6.2
131.04890	1.9
131.08588	14.3
133.06459	5.7
133.10144	16.8
135.04385	1.7
135.08043	13.5
135.11728	15.3
136.06157	2.0
137.09605	4.8
139.11188	1.6
141.06996	2.0
143.08551	4.6
145.06531	3.9
145.10126	12.6
147.08037	6.6
147.11679	9.9
149.09622	7.2
149.13255	4.8
151.07570	3.6
153.09036	2.1
157.10046	3.6
159.08073	19.2
159.11694	8.3
161.09654	5.3
162.07935	1.9
163.07524	9.2
163.11224	4.3
165.09190	2.2
167.10748	1.9
169.10144	3.0
171.11711	3.9
173.09647	3.7
173.13251	5.2
175.11143	4.3
177.09044	2.7
177.12791	2.3
179.10638	2.8
181.10117	2.0
184.07350	43.1
185.09473	2.3
187.11198	4.8
187.14757	1.9
189.09126	1.7
189.11255	2.2
189.12724	2.3
191.14229	2.3
193.12245	5.1
197.13246	1.9
201.12865	2.1
211.13049	2.0
215.17979	7.5
219.13818	3.1
221.11691	2.0
223.13342	2.1
227.12796	2.7
231.17401	2.7
233.15378	20.9
233.19014	5.5
241.14374	5.4
243.17564	3.0
247.13298	2.7
253.15919	3.3
261.18463	6.3
267.16000	2.8
271.17014	12.7
279.15881	2.3
289.17993	42.7
293.17947	2.1
307.19104	11.9
307.22659	100.0
308.23029	2.3
335.25989	1.9
363.21640	19.7
381.22736	12.6
525.35565	1.8
545.34875	2.7
595.40125	21.3
613.41034	39.0
614.41364	2.3
631.41803	2.6
698.72913	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	810.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	11.8
57.07072	4.0
60.04545	3.1
61.02925	2.3
67.05512	29.0
69.03426	7.4
69.07069	13.5
69.77090	1.8
70.06590	28.9
71.04999	61.1
71.32374	2.2
71.32708	2.5
72.08164	7.5
73.02911	4.7
75.04485	6.4
79.05503	34.1
81.03429	5.3
81.07060	70.7
83.05002	11.7
83.08629	4.2
84.04515	7.0
84.08160	9.7
85.02913	100.0
86.09717	10.4
87.04483	4.2
87.05589	2.2
91.05489	32.8
93.07050	60.5
95.04980	6.3
95.08619	41.3
97.02917	9.9
97.06544	4.8
97.10191	2.8
99.04478	3.3
103.05467	2.9
105.04514	2.5
105.07044	55.4
107.08598	44.9
109.06530	5.5
109.10168	27.9
110.07145	1.8
111.04446	7.0
111.08095	3.3
115.05438	2.6
117.07021	10.9
119.08591	52.2
120.08131	5.1
121.06544	2.5
121.10152	28.7
123.08060	2.2
123.11737	9.1
125.09653	3.1
127.03929	5.6
127.08656	1.9
128.06236	2.8
129.05510	25.8
129.07018	4.6
129.10237	3.6
130.07790	2.4
131.04562	2.3
131.08580	24.1
133.10147	34.2
135.11711	23.5
136.06171	3.6
137.13280	3.5
139.11139	3.1
141.07037	2.1
142.07790	2.5
143.08545	12.1
144.09323	2.4
145.04953	5.6
145.10149	31.3
147.06546	13.0
147.07535	2.0
147.11699	28.1
149.09592	2.3
149.13257	18.1
151.11209	4.7
153.07074	2.2
155.08522	1.8
157.10141	15.3
159.11729	26.3
161.13272	18.6
163.14796	6.8
165.12747	3.9
169.10120	2.9
169.13419	2.8
171.11732	15.4
173.13287	17.0
175.11212	3.2
175.14830	14.3
177.16295	2.8
181.10007	1.9
183.11610	3.1
185.13297	8.2
187.11067	3.0
187.14804	10.3
189.16405	8.8
191.14352	3.1
193.10226	2.5
193.15913	2.7
195.11739	2.5
197.13358	3.0
199.14877	11.5
201.16446	8.2
203.17964	2.4
205.15952	2.4
209.13358	3.0
211.14780	1.9
213.16400	18.3
215.18010	2.9
217.19370	2.1
222.30437	1.8
225.16412	2.3
227.17952	6.7
229.19533	16.7
255.08481	3.2
255.21107	3.2
267.21182	2.1
269.22647	36.5
285.22000	2.6
287.23727	22.0
303.20892	2.2
305.24744	5.5
309.11737	2.8
465.27698	3.9
618.98132	2.3
648.36029	2.5
810.35577	3.8
842.81427	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	810.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49750	2.3
56.87251	1.8
57.03447	12.7
57.07064	4.3
59.05000	2.3
61.02928	2.4
63.81213	1.9
65.03936	3.5
67.05175	3.3
67.05510	34.9
69.03421	8.3
69.07071	15.0
70.06587	13.5
71.04998	58.7
71.31038	4.1
72.08165	2.8
75.04477	4.8
79.05499	27.5
81.03379	4.0
81.07063	87.1
83.04986	16.8
83.08603	5.8
84.04487	3.1
84.08109	2.5
85.02911	100.0
85.06544	3.9
86.09710	5.8
87.04475	2.4
91.05489	25.7
93.06491	2.9
93.07047	53.9
94.72022	1.7
95.04965	6.1
95.06130	1.9
95.08617	60.3
97.02864	5.8
97.06511	5.6
97.10149	4.2
97.37785	1.9
99.04451	3.9
101.85704	1.9
105.04507	2.3
105.07048	52.8
107.08607	59.6
109.06497	7.9
109.10165	55.2
111.04411	6.1
111.08061	6.6
111.11702	2.6
117.07027	9.9
119.08587	58.3
121.06597	2.4
121.10149	36.5
123.08059	4.3
123.11708	13.8
125.09632	5.0
126.84103	2.2
127.03932	7.6
129.05486	30.0
129.07016	7.0
131.08560	21.7
133.10139	36.8
135.08138	1.9
135.11703	32.8
136.06155	5.4
137.09607	5.7
137.13251	2.9
142.07808	3.2
143.08591	9.5
144.09344	3.7
145.04941	6.1
145.10136	39.8
147.06537	13.6
147.11705	28.3
149.13263	20.2
151.11160	4.6
156.09328	2.7
157.10155	25.9
159.08087	2.3
159.11705	36.6
160.12035	2.1
161.13254	25.5
163.11203	3.3
163.14787	9.4
165.12802	2.8
169.10149	2.5
171.11694	17.9
173.13255	24.4
175.14842	19.7
177.12872	3.7
177.16403	5.8
185.13272	9.8
187.14774	12.5
189.16412	8.4
191.14236	2.4
193.15834	4.7
197.13199	3.9
199.14798	15.2
200.15224	2.4
201.16412	13.3
203.17940	4.8
205.15820	2.7
211.14868	2.3
213.16389	33.9
214.16928	3.4
217.15955	2.4
219.17485	5.4
227.17989	6.1
229.19534	14.3
235.14897	2.2
241.19437	4.7
269.22662	59.7
270.23224	2.0
273.09579	2.9
287.23727	37.0
305.24707	8.8
379.26074	2.0
383.26495	1.9
415.28232	2.9
429.55115	2.1
433.29935	2.2
581.07544	2.2
648.34869	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	810.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.3
57.07071	3.2
59.65071	1.2
59.89816	1.0
61.02930	12.8
63.58794	1.0
65.03980	1.7
67.05511	25.3
69.03442	16.5
69.06732	1.3
69.07075	15.5
71.04997	2.8
71.09198	1.6
71.09521	1.2
73.02940	5.4
79.05497	20.4
81.03426	7.5
81.07063	73.7
82.07413	1.3
83.04971	1.8
83.08626	8.1
85.02913	100.0
87.04458	2.6
91.03967	11.7
91.05486	19.2
93.07056	45.1
95.04968	3.2
95.08617	61.8
97.02302	1.8
97.02903	28.7
97.10175	3.5
99.04452	4.7
103.03974	1.4
103.05490	1.1
104.79202	1.2
105.06315	1.4
105.07041	41.9
107.08604	54.8
109.02890	8.9
109.06534	1.1
109.10168	47.9
111.11730	1.4
115.03898	1.2
117.07056	3.8
119.08589	46.7
121.10152	37.2
123.08095	1.4
123.11726	19.3
125.09729	1.4
127.03931	27.3
131.08575	11.0
133.10127	24.8
135.10696	1.7
135.11700	20.9
137.13245	3.6
141.28554	1.1
144.09364	1.4
145.04976	44.9
145.10133	15.9
147.11711	19.4
149.13272	29.3
159.10463	2.0
159.11705	23.9
160.12312	1.3
161.13268	26.9
163.06024	31.5
163.14833	23.1
173.13261	13.2
175.14842	17.3
177.16411	10.9
179.14157	1.2
187.14796	7.6
189.16403	9.0
191.17996	2.6
201.16408	12.5
203.17947	7.0
213.16403	1.7
213.54994	1.2
215.17964	23.1
229.19507	4.1
231.21063	5.2
243.21129	2.4
269.22556	1.7
271.24228	55.9
272.24576	1.6
289.25217	7.2
325.11224	6.6
759.25684	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	810.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	4.7
57.07076	2.0
61.02931	8.5
62.23774	0.7
65.03938	2.4
67.05509	19.7
67.05874	1.0
69.03436	17.4
69.07071	10.4
71.04993	2.8
71.08635	0.8
73.02911	3.8
75.12626	0.7
77.03914	1.1
79.05134	0.5
79.05497	16.5
81.03426	6.7
81.07062	51.9
83.04980	1.4
83.08636	4.4
85.02911	100.0
86.03262	0.8
87.04483	2.1
91.03949	5.0
91.05482	17.1
92.29798	0.7
93.07050	35.5
95.04975	2.1
95.08614	44.3
97.02898	25.2
97.03528	1.4
97.10194	3.5
98.21681	0.6
99.04467	3.9
101.02370	1.0
103.03937	1.2
103.05458	1.0
105.04478	0.8
105.06319	1.4
105.07037	31.3
107.08604	45.2
109.02890	9.0
109.10167	34.5
109.10930	1.2
111.11752	1.7
115.03945	1.8
117.07016	3.6
119.08586	40.4
121.10147	32.8
123.11713	13.0
125.09634	1.2
127.03926	28.0
131.08569	8.4
133.10136	19.3
135.11691	14.7
137.13289	2.5
143.08595	2.0
144.09389	1.2
145.04968	48.7
145.10138	12.2
145.11189	1.3
147.11690	18.9
147.12811	1.2
149.13274	19.4
151.14830	0.7
157.10075	1.7
159.11711	18.5
161.13258	18.5
163.06023	31.8
163.14851	16.0
171.11740	1.4
173.13281	7.2
175.14847	11.8
177.16385	8.2
179.14391	1.0
187.14861	4.9
189.16412	7.7
191.18057	1.6
199.14882	1.0
201.16406	10.2
203.17961	5.2
215.17982	18.0
217.19403	0.9
229.19560	2.7
231.21182	2.8
243.21031	1.0
269.22726	0.8
270.41656	0.8
271.08301	1.3
271.21283	1.7
271.24222	31.5
272.24515	0.9
289.09238	2.2
289.25214	3.6
325.11310	8.7
413.04272	0.8
492.43311	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	21.1
57.07082	2.9
59.05003	11.8
61.02936	3.2
65.03953	3.6
67.05505	81.0
69.03446	3.3
69.07067	21.5
69.99474	4.9
71.05005	3.6
73.06557	2.0
77.03930	1.7
79.05496	62.1
81.03435	3.4
81.07059	75.2
83.04999	4.0
83.08636	10.3
85.02926	4.1
85.06570	4.0
86.09760	1.1
86.67657	1.2
89.06053	1.3
91.05486	50.8
93.07047	69.2
95.04967	6.5
95.08614	59.8
97.02934	4.7
97.06554	4.7
97.10191	4.5
99.08110	2.8
105.04540	1.9
105.07038	42.3
107.08604	39.6
107.09304	2.3
109.06559	3.9
109.10164	23.9
111.08085	3.0
117.07031	14.8
117.09153	2.1
119.08589	32.5
120.08926	1.4
121.06490	2.2
121.10151	28.0
123.08099	2.6
123.11691	6.3
125.09668	3.3
129.07048	5.0
131.08566	22.1
133.10135	22.3
133.11104	1.7
135.08073	2.4
135.11710	20.5
137.09612	2.5
137.13318	1.8
143.08623	5.3
144.91003	1.3
145.10139	19.6
147.11687	18.4
149.09708	2.1
149.13255	12.1
151.11250	2.0
155.08640	1.6
157.10196	5.2
159.11674	15.6
161.13261	12.3
163.14880	3.7
171.11699	5.3
173.12025	1.5
173.13277	8.1
173.15370	1.2
175.14909	4.5
177.12791	1.8
179.14366	1.5
183.11746	2.0
184.07387	4.3
185.13284	5.1
187.14848	9.9
189.16431	1.9
199.14835	3.2
201.16492	1.3
203.14551	1.3
205.15877	3.2
213.16531	1.5
219.17509	1.5
221.19101	1.6
231.21123	2.7
241.19521	7.2
243.20998	2.5
257.19125	2.8
259.20578	24.5
259.23077	1.9
261.22150	9.2
263.23944	1.3
277.21655	16.5
293.21011	2.7
317.24756	1.6
332.78207	1.3
333.24313	15.0
335.25821	100.0
336.26358	1.6
337.27518	1.9
351.25305	33.9
435.24203	1.4
529.39337	3.0
593.45007	1.9
611.46637	32.6
612.47461	1.8
667.52850	1.7
822.57288	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	808.5569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	8.9
57.07077	5.8
59.04988	5.8
63.41714	4.1
67.05176	6.2
67.05511	69.3
69.07072	20.6
71.50964	6.6
74.50574	4.3
75.09789	4.2
79.05495	57.1
81.03397	5.3
81.07064	61.3
83.08617	8.5
86.09706	22.1
91.05486	53.8
93.07043	66.5
95.04956	5.1
95.08615	52.6
98.98473	6.0
105.07037	57.0
107.08584	31.6
109.10168	19.0
110.97610	4.3
117.07004	15.7
119.08570	40.7
121.10175	26.1
124.99972	20.3
129.07024	11.2
131.08574	24.6
133.10147	37.2
135.11702	24.9
143.08549	10.3
145.10118	26.4
146.03110	4.1
147.11716	30.2
149.13287	7.2
157.10081	7.3
159.11728	17.1
161.13289	20.7
171.11642	13.6
173.13315	13.2
173.56326	3.9
175.14828	8.0
184.07329	100.0
185.13306	10.2
199.14722	7.3
235.57896	4.1
241.19540	11.0
257.18872	4.4
259.20624	34.8
261.22198	9.6
269.51007	3.9
293.90649	4.5
315.23099	5.6
333.24292	33.7
335.25766	70.8
494.05145	5.6
611.46619	29.5
739.29095	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	808.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.1
57.77869	0.4
59.05009	2.5
61.02929	3.8
65.03940	1.0
67.05510	13.6
68.05029	6.0
69.03431	3.4
69.07075	2.2
70.06584	1.4
70.48544	1.2
70.48885	0.4
71.04992	1.3
72.08141	0.7
73.02922	3.5
79.05496	11.8
80.05016	1.1
81.03417	4.4
81.04545	4.0
81.07063	11.5
82.05318	0.6
83.01290	0.5
83.04988	1.0
83.06108	12.6
83.08625	1.5
84.08138	0.9
85.02906	5.1
85.06557	0.5
86.09714	0.8
87.04470	0.9
87.66226	0.4
91.03964	1.9
91.05494	5.7
93.06483	0.8
93.07053	13.2
94.06609	0.4
95.05027	2.4
95.06096	80.5
95.08606	7.6
97.02904	4.2
97.06575	1.0
97.07659	1.4
97.10189	0.6
99.04459	0.5
101.02409	0.8
104.58160	0.4
105.07027	3.3
107.06075	3.7
107.08593	3.6
109.06498	0.9
109.07640	0.9
109.10166	3.4
110.07170	0.5
111.04454	0.5
111.08108	0.9
112.08740	26.2
113.07133	6.2
116.07151	0.4
117.07003	1.3
117.09138	0.7
119.06092	0.8
119.08578	3.2
121.07648	3.3
121.10154	5.8
123.08160	0.6
123.09207	1.2
123.11712	1.2
127.03954	0.8
129.07004	0.6
129.10352	0.4
131.08603	1.9
133.07614	3.3
133.10150	2.6
135.09230	1.2
135.11691	2.0
137.13300	0.6
145.10146	1.3
147.09242	0.7
147.11723	1.6
149.09657	0.8
149.13275	0.8
151.08664	0.7
154.09784	1.6
157.10172	0.9
159.11754	0.5
161.10851	0.5
163.11151	0.5
173.13359	0.8
175.11226	0.8
175.13396	0.5
178.08858	0.5
184.07399	1.7
187.10799	0.9
247.18202	0.8
257.16614	1.0
259.18100	1.1
263.17429	0.5
275.17566	4.3
277.19226	0.6
286.19315	0.8
287.17517	1.2
293.18594	2.2
304.20193	8.2
305.18735	1.6
307.22653	7.7
307.25876	0.6
311.19647	0.5
322.21271	2.4
323.19763	3.6
340.22278	4.1
341.20840	1.2
349.21347	1.3
367.22299	2.2
378.24094	1.5
379.22369	2.0
396.25180	1.1
397.23340	3.9
414.26065	3.6
438.26807	0.5
469.28168	1.0
599.40613	5.1
611.40729	0.5
617.42114	0.6
628.42706	0.9
629.41754	3.6
646.44263	24.7
647.44647	1.3
652.80231	0.5
688.45453	2.3
691.26355	1.3
692.26019	0.5
761.45514	0.6
790.48615	0.8
808.49530	100.0
809.50024	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	808.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	8.4
57.07074	1.1
59.04989	1.4
61.02925	2.3
65.03931	1.3
67.05511	13.6
69.03435	6.7
69.07072	5.8
69.19545	3.0
69.19971	4.9
70.06593	1.9
71.01361	0.9
71.05000	46.5
72.08148	0.9
73.02908	3.0
75.04485	7.5
79.05504	17.9
81.03435	3.9
81.07064	48.2
83.04563	1.1
83.04994	13.4
83.08631	3.8
84.08177	1.2
85.02913	100.0
85.06536	0.9
86.09679	1.1
87.04472	2.3
91.05485	12.4
93.07053	53.4
95.04987	4.4
95.08614	37.5
97.02902	9.2
97.06528	2.4
97.10157	3.7
99.04453	3.6
103.03944	1.2
103.05423	1.3
105.04520	0.9
105.07042	18.5
107.08606	32.1
109.02855	2.2
109.06519	2.2
109.09484	1.4
109.10172	20.8
111.04447	8.9
111.08080	3.3
113.06032	1.0
117.07022	2.7
119.08593	17.1
121.06489	1.9
121.10153	43.1
121.13763	0.8
123.08076	4.5
123.11725	7.8
125.09578	1.2
127.03957	8.3
129.05495	46.4
129.06999	1.8
131.08549	4.7
133.10152	11.8
135.08066	1.9
135.11702	16.0
136.33316	0.9
137.09587	1.2
137.13229	2.0
139.07538	1.5
141.09105	1.7
143.08571	2.3
144.92625	0.8
145.04959	7.6
145.10135	6.7
147.06538	32.7
147.07758	1.1
147.11708	9.9
149.09552	1.5
149.13268	36.3
157.10124	2.4
159.11707	8.6
161.09587	1.7
161.13277	7.6
163.06026	3.0
163.14850	9.7
165.07588	2.2
165.08911	1.0
171.06578	1.3
171.11705	3.0
173.13277	5.2
175.11215	1.8
175.14821	3.4
177.12801	1.7
177.16376	1.9
181.12306	0.8
183.11601	1.3
184.07362	0.9
185.13269	1.9
187.14845	4.0
189.12756	2.3
189.16411	3.3
191.17957	2.8
193.12270	1.8
195.11754	1.0
197.13246	1.6
199.14764	1.3
201.12971	0.8
201.16393	2.3
203.14302	0.8
203.17915	3.8
205.15732	1.1
207.13860	2.5
209.13239	1.6
211.14737	1.0
215.14305	2.0
215.17996	1.3
221.15372	2.0
225.07823	0.9
225.16415	1.1
227.17859	1.3
229.15941	1.2
229.19521	9.1
233.15416	2.7
237.07707	1.2
247.16972	1.8
255.08708	4.5
257.22668	6.5
267.21045	1.6
273.09784	6.9
285.22122	3.5
291.10822	1.2
303.23199	22.0
309.11813	10.7
379.41010	0.8
395.25613	2.4
413.26675	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	808.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	10.1
57.07054	0.9
59.05006	1.4
61.02935	1.3
67.05179	0.9
67.05512	10.4
69.03439	5.0
69.07065	2.9
70.06584	2.9
70.55706	2.1
71.04998	64.1
72.08138	0.9
73.02927	3.2
75.04487	6.0
79.05499	9.2
81.03416	3.3
81.07062	26.5
83.04987	13.3
83.08618	1.1
84.08152	1.7
85.02910	100.0
86.09698	0.8
87.04497	3.1
91.05487	7.6
93.07047	24.1
95.04978	3.8
95.06096	0.8
95.08613	19.3
97.02898	5.3
97.06551	3.5
97.10194	1.6
98.06107	1.0
99.04467	3.4
101.06043	0.7
103.03954	1.5
105.07040	10.6
107.04980	0.8
107.08603	17.2
109.02874	2.1
109.06527	2.2
109.10154	12.5
111.04462	8.1
111.08083	1.8
113.06038	1.2
115.01305	0.7
117.05493	0.7
117.07022	1.8
119.08585	10.2
121.06544	1.7
121.10150	18.8
123.08073	4.8
123.11697	5.4
125.06004	1.4
125.09597	1.4
127.03919	6.2
129.05487	32.9
129.07031	2.0
131.08559	4.6
133.10129	7.7
135.08073	2.2
135.11685	8.7
137.05948	0.9
137.09659	1.7
137.13271	1.1
139.07565	1.4
141.07011	0.9
141.09106	2.7
143.08594	2.8
145.04971	4.5
145.10121	6.2
147.06523	17.1
147.08080	1.5
147.11697	6.4
149.06001	0.8
149.09665	2.2
149.13258	18.0
149.14381	1.3
155.08636	1.5
157.10136	3.4
159.08083	0.9
159.11699	5.6
161.09575	3.2
161.13237	5.4
163.06059	2.8
163.11224	2.1
163.14854	5.4
164.09187	0.8
165.12775	0.8
167.08574	0.7
167.10692	0.9
169.10172	1.7
171.11740	3.0
173.09645	1.0
173.13223	4.0
175.11159	3.1
175.14859	2.4
177.12752	1.1
177.16425	0.9
183.11763	1.3
185.09671	0.7
185.13225	1.9
187.11197	0.9
187.14859	2.7
189.12827	2.1
189.16423	2.7
191.14294	0.9
191.17978	2.7
193.12274	1.2
196.77354	0.7
197.13245	1.7
199.14832	1.2
201.12773	1.6
201.16379	1.7
203.17995	1.4
207.13893	2.2
211.14819	1.5
213.12767	1.1
213.16458	1.6
215.14304	1.7
221.15401	1.5
223.14857	1.2
225.16423	1.1
227.17915	0.8
229.15967	0.8
229.19559	2.0
233.15401	0.9
237.07689	1.0
247.16934	1.2
255.08684	2.1
257.22675	1.8
267.21094	1.7
273.09882	3.2
283.20728	1.4
285.22189	1.9
301.21738	1.9
303.23233	10.3
309.11728	5.2
309.22339	0.9
313.21613	0.9
315.23267	0.8
325.21790	0.8
327.23318	0.8
351.23083	0.8
366.48312	0.6
369.24588	0.9
377.24734	1.7
395.25726	3.2
413.27014	2.3
431.27994	2.0
446.75500	0.8
593.72394	0.8
716.85699	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.5
57.07077	4.2
57.51198	1.5
61.02921	6.0
62.75330	1.5
65.03934	4.5
67.05507	45.5
68.99789	4.9
69.03427	13.9
69.07066	17.8
70.06570	2.0
71.01355	11.8
71.04972	2.0
71.50388	2.3
73.02917	5.1
74.09690	1.5
77.03893	1.3
79.05495	33.8
80.96066	1.3
81.03425	17.7
81.07061	100.0
83.05001	1.6
83.08632	8.9
84.08153	2.0
85.02911	52.9
86.09682	1.8
86.85004	1.5
87.00826	10.3
89.02400	18.9
91.03967	3.4
91.05487	31.5
93.07051	71.5
93.64394	1.4
95.04961	6.0
95.08610	79.3
97.02900	22.8
97.06539	1.8
97.10157	5.8
99.00828	6.9
99.04459	6.6
103.05455	2.1
105.01865	2.1
105.04541	2.1
105.07041	69.2
107.08599	87.2
109.02888	25.7
109.06500	2.4
109.10162	63.7
111.11755	1.9
115.00279	3.8
117.07020	6.6
119.06119	2.2
119.08591	67.7
121.10149	57.9
121.11034	2.7
123.11728	23.8
127.03925	31.5
131.08585	16.2
133.01320	9.3
133.10136	33.0
135.11702	25.8
137.13272	4.5
142.99765	26.0
143.03392	2.2
143.08603	2.1
144.09285	2.5
145.04962	17.5
145.10132	22.0
147.11703	30.4
149.13268	33.5
151.11205	1.5
155.08539	1.8
158.10918	1.7
159.11697	33.4
161.00818	21.1
161.13271	36.5
163.14844	25.6
171.02888	5.4
171.11746	1.9
173.13254	18.5
175.14844	20.8
177.16360	13.1
179.01889	20.3
185.13292	1.5
187.14818	8.7
189.16428	11.6
191.17838	1.7
199.14799	1.7
201.16380	17.8
203.17978	11.4
203.93857	1.6
215.01866	3.9
215.17955	35.1
229.06757	1.3
229.19547	6.1
231.21089	2.0
233.02890	5.8
243.21165	1.5
259.04495	1.4
269.22824	1.5
271.24225	60.3
287.04025	5.9
289.25308	3.4
294.86041	1.4
296.82895	1.4
305.05017	8.6
323.06104	5.3
354.85080	1.6
523.99750	1.8
844.53943	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	808.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.6
61.02925	0.6
65.03947	1.7
67.05496	0.4
67.13846	0.2
68.05027	0.2
69.03436	2.1
70.03334	0.2
70.98934	0.2
71.04993	0.4
71.31625	0.3
73.02914	0.3
81.03424	2.2
84.04510	0.4
85.02911	7.7
91.05489	11.8
94.06570	1.1
95.04980	1.7
96.04507	0.3
97.02901	2.7
98.06049	0.3
99.04459	0.5
109.02884	1.3
110.06076	0.4
112.03237	0.3
112.03973	4.2
112.07588	0.3
114.05531	1.3
119.04951	22.9
120.05262	0.5
122.06017	1.2
123.04434	2.6
127.03934	1.9
135.07246	0.2
136.07532	0.2
140.07077	6.8
141.05447	0.5
145.04945	1.2
147.04420	100.0
148.04755	1.5
158.08144	5.3
163.03923	0.3
163.06003	0.4
165.05498	1.1
176.09189	12.0
177.09468	0.2
200.09178	0.2
218.10265	0.5
224.04285	0.2
245.99945	0.2
248.09280	0.3
266.10239	0.6
275.71048	0.2
284.11218	0.2
291.08652	2.5
302.12436	0.3
309.09732	3.2
320.13321	0.2
322.12927	0.4
335.94785	0.2
338.14496	0.8
393.29813	0.1
430.14581	0.2
441.21799	0.1
448.15918	0.6
466.17062	1.6
484.18152	6.3
485.18335	0.2
500.19775	0.2
550.36151	0.2
628.22107	0.2
633.20630	0.2
646.23187	0.2
662.24847	0.3
674.72748	0.2
808.28955	2.6
809.28729	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.6
59.32389	0.1
61.02942	0.6
65.03941	1.5
67.05490	0.2
68.05041	0.3
69.03434	2.6
70.06597	0.1
70.74214	0.4
71.05000	0.2
73.02921	0.3
80.05052	0.2
81.03426	2.5
84.04510	0.4
85.02911	7.5
91.03955	0.3
91.05486	9.5
94.06577	0.7
95.04963	1.2
96.04506	0.4
97.02902	2.7
98.06049	0.4
99.04458	0.4
109.02886	1.5
110.06062	0.3
112.03967	2.8
112.07619	0.4
114.05539	0.9
115.03985	0.1
119.04948	21.0
120.05298	0.3
122.06052	0.8
123.04429	1.8
126.05501	0.2
127.03930	2.0
127.17611	0.2
140.07079	4.9
141.05476	0.4
142.08603	0.3
145.04967	1.2
147.04417	100.0
148.04749	1.5
150.14026	0.1
156.06519	0.2
158.08125	4.0
163.03868	0.6
163.06032	0.2
164.07069	0.3
165.05489	3.9
176.09193	9.0
218.10223	0.5
230.37561	0.2
248.09238	0.4
266.10269	1.0
273.07602	0.4
284.11450	0.3
291.08652	4.0
302.12534	0.2
309.09683	7.0
310.09854	0.3
320.13354	0.3
322.12793	0.3
325.89166	0.1
338.14337	0.4
355.65958	0.1
430.15155	0.3
448.15912	0.5
458.75214	0.1
466.17120	1.2
471.14749	0.2
484.18161	5.8
485.18451	0.3
553.84161	0.1
633.19946	0.4
646.22974	0.2
808.28650	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	807.5406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	4.1
57.07066	5.3
65.03939	3.6
67.05511	41.4
69.03092	2.3
69.03433	22.1
69.07075	31.2
71.01334	2.0
71.04966	2.1
71.24308	2.7
79.05492	29.9
81.03425	18.7
81.07064	100.0
83.04958	1.5
83.08639	10.3
85.02916	26.4
87.00833	14.4
90.05553	3.2
91.05482	31.5
93.07051	64.4
95.04960	4.4
95.08614	86.7
96.08967	2.0
97.02298	2.8
97.02898	45.1
97.10180	8.0
97.57303	1.5
99.04465	8.9
101.02403	3.2
105.01867	9.0
105.06311	2.1
105.07034	51.4
107.08598	74.1
109.02896	7.7
109.06554	1.7
109.10164	73.8
111.11727	3.5
115.05397	1.9
116.44374	1.3
117.07027	6.3
119.08587	60.1
121.10151	47.4
121.11042	2.3
123.11711	29.3
127.03921	25.1
129.07022	5.7
130.07840	1.8
131.08586	17.1
133.10141	36.5
135.11694	35.4
137.13280	10.2
141.06889	1.5
142.07796	3.9
143.08571	11.5
144.09366	3.2
145.04929	11.3
145.10129	33.6
147.11694	34.9
149.13274	34.1
151.14807	3.6
155.08554	4.2
156.09291	2.7
157.10133	15.6
158.10889	2.2
159.11707	35.3
161.13271	25.1
163.14838	18.9
169.10098	8.1
171.11745	13.7
172.12210	2.0
173.13280	27.3
175.14822	19.9
177.16394	12.7
181.10037	2.2
183.11659	8.7
185.13287	15.3
187.14832	18.4
189.16405	19.4
190.91078	1.4
191.17999	5.1
195.11777	2.7
196.12486	2.1
197.13269	6.0
199.14839	13.1
201.16405	17.0
203.17970	13.8
205.19527	2.5
206.11052	1.4
209.13231	3.9
211.14809	6.5
213.16393	12.5
215.17955	16.5
217.19547	10.0
223.14941	1.5
225.16399	6.6
226.17159	1.7
227.18010	11.5
229.19489	9.1
231.05045	10.7
231.21162	3.4
237.16248	2.0
239.17914	5.9
241.19560	9.7
243.21068	8.3
245.22653	2.5
249.05952	1.8
251.17957	2.5
253.19550	5.9
255.21068	8.0
257.22678	9.4
265.19696	1.6
267.21103	5.2
269.22733	13.0
271.24249	8.1
279.21005	3.5
281.22632	5.9
283.24164	8.3
285.25540	1.7
293.22577	3.0
295.24179	5.2
297.25754	4.8
305.22876	1.8
307.23981	1.5
309.25745	3.2
311.27200	2.4
321.25748	2.9
323.27383	5.4
325.28851	6.1
335.27386	2.5
337.28952	4.5
349.28821	2.1
351.30313	3.9
363.30231	3.0
365.32098	2.8
377.31912	3.8
379.33197	1.5
391.33606	4.0
393.35217	3.2
403.33826	1.5
405.34985	1.9
419.36337	3.4
431.36819	2.8
433.38553	2.6
459.39685	2.8
473.41379	3.0
485.41409	4.0
541.47711	47.8
542.47546	5.4
559.48633	14.6
807.54175	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	807.5404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.9
57.07069	5.9
61.02909	4.3
65.03937	4.6
67.05505	46.0
68.99804	4.3
69.03429	28.1
69.07066	30.4
71.04985	4.3
73.02910	6.9
77.81696	2.3
79.05500	34.0
81.03431	29.9
81.07063	93.3
83.08639	12.3
85.02906	45.4
87.00830	19.9
90.05546	5.2
91.05486	39.2
93.07048	70.7
95.04966	3.7
95.08614	100.0
97.02876	16.5
97.10162	10.9
99.04454	11.7
105.01878	14.2
105.07036	56.9
107.08598	88.8
109.02884	31.9
109.10161	71.7
111.11742	6.4
115.03963	2.6
115.05500	2.7
117.01849	5.2
117.07031	10.2
119.08588	57.5
121.10157	48.6
123.11710	28.1
127.03923	38.7
129.01895	5.0
129.07048	4.0
130.37791	2.8
131.08546	16.4
133.10146	39.6
135.11700	40.5
137.13246	8.9
142.07817	4.5
143.08537	9.5
145.05011	13.4
145.10121	31.6
147.02878	5.7
147.11703	36.6
147.15215	2.7
149.13264	38.2
155.08557	5.0
157.10136	22.4
159.02930	16.3
159.11708	36.6
161.13249	34.2
163.14807	17.5
169.10152	6.7
171.11702	16.9
173.13295	28.9
175.14828	21.6
177.16454	10.7
181.10097	3.9
183.11726	8.9
185.13271	13.7
187.14828	15.5
189.16370	17.8
191.17972	7.6
195.11661	3.1
196.12596	2.6
197.13289	7.5
199.14830	13.4
201.16357	19.1
203.18001	16.1
209.13339	3.6
211.14861	7.2
213.16354	13.4
215.17982	17.1
217.19566	9.6
225.16374	6.0
227.17934	10.4
229.19531	9.7
231.04996	7.4
239.17990	5.5
241.19545	8.8
243.21066	9.0
245.22626	4.0
253.19540	3.5
255.21135	8.1
257.22632	7.4
259.24271	3.4
266.90561	2.8
267.21249	5.0
269.22632	9.7
271.24200	10.2
281.22656	4.8
283.24219	6.0
296.24719	2.4
297.25760	4.8
309.25833	3.9
323.27127	3.2
325.29077	6.5
337.28751	6.6
340.16235	3.0
349.28885	2.8
351.30548	3.4
363.30243	3.1
391.33517	4.5
397.62189	2.9
405.34808	3.5
431.36826	4.5
541.47632	46.3
542.47888	3.5
559.48602	8.0
789.52679	3.2
807.53851	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5778
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.4
57.07086	2.3
59.04992	2.5
61.02939	3.2
64.20010	2.1
67.05178	3.1
67.05505	32.4
69.07067	4.9
79.05492	24.2
81.07061	30.7
83.08598	4.3
85.02889	2.9
91.03922	3.1
91.05476	16.9
93.07042	29.9
95.08616	24.5
97.06512	3.7
99.38511	2.1
105.07065	11.6
106.28864	2.1
107.08608	11.6
109.10190	9.0
112.27997	2.0
117.07078	2.8
119.08595	9.1
120.85715	2.1
121.10139	12.6
123.11723	5.6
131.08531	4.3
133.10095	5.3
135.11687	10.3
145.10123	6.1
147.11708	6.9
149.13263	7.5
159.11725	5.6
161.13240	5.6
163.14766	3.3
173.13205	4.5
175.14856	3.7
184.07323	5.0
243.21097	5.0
259.20688	3.9
261.22177	15.0
304.26035	2.3
333.24298	2.2
335.25818	100.0
336.25940	3.1
337.27386	4.7
438.13031	2.1
440.91220	2.8
576.79279	2.8
595.47345	15.3
613.48096	3.1
665.51282	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	806.5481
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	2.4
57.07081	8.1
59.04997	1.1
61.02904	1.2
62.64739	0.8
67.05511	8.4
69.03421	3.2
69.07076	28.5
70.06585	3.6
71.08624	3.2
71.09474	2.0
72.08163	2.2
73.02923	1.3
73.06558	6.2
79.05482	2.3
81.03413	1.7
81.07054	12.2
83.08163	1.2
83.08632	20.6
84.08161	1.6
85.02918	11.6
85.10184	1.5
87.04490	8.0
89.06041	100.0
91.03962	1.0
91.05485	1.9
93.07040	2.3
94.22387	0.7
95.06086	1.0
95.08063	1.1
95.08614	12.0
96.08974	0.8
97.02873	2.4
97.10180	17.9
105.07044	1.2
107.07054	3.1
107.08588	1.0
109.02863	1.1
109.10148	7.2
111.11719	8.5
117.09145	7.3
119.08638	0.9
123.11708	3.3
125.13279	4.3
127.03932	1.4
129.10228	0.8
130.08641	1.6
131.07031	2.6
133.08617	59.2
137.13246	1.4
139.14786	1.5
140.32664	0.9
151.09683	1.1
161.11729	2.8
175.09760	1.2
177.11244	29.0
204.58203	0.8
219.12224	1.1
221.13869	11.8
221.22606	1.3
239.14874	2.0
265.16476	2.8
283.17569	3.2
283.26318	11.5
309.19138	2.5
325.19824	1.0
327.20148	2.3
327.28937	7.5
353.21780	1.1
371.22775	1.2
415.25439	9.6
468.99686	1.1
477.37845	1.2
521.40442	1.8
553.80023	1.2
565.42615	2.2
609.36279	1.5
609.45770	27.9
610.45972	2.7
623.03595	0.8
627.46454	2.8
806.53210	1.1
817.44861	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.6045
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	28.5
59.04998	1.5
60.08179	0.4
67.05506	1.2
69.03415	0.6
69.07071	4.6
69.18209	1.6
69.18633	2.2
71.04991	0.7
71.08636	27.7
73.02920	1.6
73.06557	10.8
79.05493	0.8
81.07050	1.0
83.08627	3.9
85.02913	0.6
85.10185	16.1
86.09705	2.7
87.04472	14.6
87.04903	0.3
89.06034	100.0
90.06372	0.5
91.05463	0.5
91.07591	0.9
95.08603	1.0
97.10185	4.5
99.11760	2.7
104.10726	0.4
107.07072	2.1
107.08593	0.5
111.11732	3.7
113.06000	0.6
113.13296	1.8
117.09135	10.3
125.00031	1.5
125.13284	1.7
127.14832	1.8
130.08621	2.1
131.07036	4.3
131.08585	0.4
133.08611	51.2
135.10208	1.2
139.04314	0.4
141.16409	1.5
155.17990	0.5
161.11737	3.1
175.09624	2.7
177.11226	20.3
179.12883	0.8
184.07361	10.4
184.09006	0.6
185.07768	0.8
185.42262	0.4
186.07788	0.5
192.11388	0.4
197.22620	2.0
219.12328	0.7
221.13841	4.3
221.99936	0.5
223.15390	0.5
239.14882	0.8
241.25273	2.9
247.79265	0.5
265.16528	1.1
283.17496	0.9
285.27896	6.2
309.19116	0.9
327.20206	0.6
329.30444	2.4
364.60757	0.4
397.24258	0.8
415.25793	0.5
591.35870	0.6
591.91608	0.5
787.57751	1.5
804.48450	6.2
804.62372	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.5834
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	4.5
57.03450	1.0
57.07079	2.6
60.04530	74.2
63.22279	0.4
67.05508	5.0
68.05048	0.9
69.03415	0.5
69.07078	3.8
70.06606	2.7
71.05019	0.7
71.08647	1.9
71.51174	0.7
72.04546	0.6
72.08147	1.0
73.74603	0.5
74.06091	1.8
79.05508	2.5
81.03404	0.4
81.07062	4.0
82.06564	0.6
83.04989	0.8
83.08633	2.7
84.08136	0.7
85.02921	0.9
85.10199	0.6
86.06088	1.4
86.09728	0.7
86.65229	0.4
90.05573	0.6
91.05492	1.4
93.07047	3.0
95.06081	0.9
95.08617	5.1
96.08138	0.6
97.02935	0.5
97.06563	0.9
97.10181	2.0
105.07058	0.8
107.08610	1.7
109.10173	2.8
111.11719	0.5
113.55288	0.5
119.08624	0.8
120.01263	0.4
121.10119	1.0
123.11709	0.5
131.08591	0.5
133.10152	0.6
133.74585	0.5
136.06200	0.6
161.13274	0.6
178.94330	0.4
184.07314	0.7
185.35258	0.4
215.17793	0.5
252.26875	2.2
254.28505	1.4
264.26837	2.3
265.25369	0.5
270.27954	2.5
282.27924	12.7
299.15060	0.4
300.28989	12.4
316.28488	0.6
317.28848	0.6
318.30048	100.0
319.30487	2.1
445.29340	0.5
546.84845	0.5
593.52997	0.5
624.41156	0.5
804.47375	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	2.9
57.03428	3.0
57.07074	1.5
58.06607	100.0
59.06130	2.1
61.02920	3.4
64.34382	0.8
65.03931	1.7
67.05509	12.8
69.03434	1.5
69.07058	3.8
71.50833	1.0
73.02924	1.3
79.05501	13.8
80.05013	1.3
81.03412	1.2
81.07069	8.7
82.06575	3.3
83.08614	1.4
84.04506	2.3
84.08141	3.5
85.02915	2.2
86.09718	1.0
91.05486	9.8
93.07054	10.8
94.06567	7.8
95.05012	2.0
95.08617	7.7
96.08153	1.8
97.02898	1.3
105.07024	7.5
107.08578	5.0
108.08141	1.5
109.10156	2.6
110.06036	1.0
112.07616	1.4
117.07020	2.5
119.08608	4.5
121.10149	2.8
124.11230	3.1
125.00111	1.1
129.07045	1.2
131.08574	2.8
133.10147	2.8
134.09735	1.1
135.08029	1.3
135.11694	1.8
143.08519	1.5
145.10091	1.7
147.11633	2.1
152.10701	1.9
159.11690	1.2
164.14305	2.5
184.07323	3.8
220.16956	1.3
265.38260	1.0
270.06082	1.1
301.29071	1.0
307.22736	4.2
335.25793	3.0
364.24792	2.0
412.86597	1.0
504.36661	2.3
544.40259	1.6
584.43219	2.3
607.43542	1.1
624.46240	7.0
642.47333	78.6
643.47394	3.9
701.51093	1.1
804.52301	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	803.2243
Annotation	Isorhamnetin 3-gentiotrioside
Peak:m/z	Relative Intensity
57.03432	0.4
61.02928	3.8
68.99794	0.3
69.03425	1.5
69.84634	0.5
69.85033	0.4
70.06596	0.4
72.08152	0.2
73.02921	1.3
81.03409	0.7
85.02911	8.3
86.09711	0.3
91.03957	2.6
92.02609	0.4
93.03387	0.5
97.02894	3.4
98.21449	0.2
99.04487	0.2
103.28830	0.2
109.02904	0.4
115.03934	0.3
117.49884	0.2
121.02872	0.6
126.03138	0.4
127.03916	1.6
130.86659	0.2
137.02350	0.2
139.03880	0.6
145.04958	2.1
151.03934	0.8
153.00587	0.3
153.01831	4.9
163.03876	0.3
163.06070	1.0
165.01859	0.5
170.83939	0.2
177.05461	0.3
177.74854	0.2
201.05513	0.5
203.03464	0.3
218.05780	0.4
219.73763	0.2
228.04108	0.9
229.04926	2.2
231.02939	0.3
245.04576	0.6
246.05269	0.9
256.03656	0.2
257.04404	1.4
260.03171	0.2
261.07526	0.3
271.06104	0.3
273.03943	1.7
274.04715	3.6
284.03275	0.2
285.03955	3.6
288.06348	0.3
302.04227	12.0
303.04791	0.3
317.06564	100.0
318.06866	2.3
329.06540	0.4
359.07559	0.7
383.07370	0.2
425.03021	0.2
461.10266	0.2
479.11887	14.6
480.12094	0.5
625.96558	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	1.7
56.05376	0.8
57.03427	3.4
57.07057	2.6
59.04991	3.4
61.02932	2.1
65.03930	4.2
67.05507	94.3
69.03427	11.7
69.07069	12.8
69.32477	4.9
69.32906	3.5
70.06602	4.5
71.04984	3.8
72.08171	1.3
74.06071	0.8
77.03929	1.5
79.05496	25.1
79.05961	1.2
81.03426	24.6
81.07059	68.4
81.92032	0.8
83.04994	1.1
83.08626	11.1
84.04494	1.8
84.08150	1.0
85.02902	9.7
85.06534	2.2
86.06055	2.7
87.04478	2.6
91.05481	23.2
93.07049	41.7
93.07643	2.1
95.04954	3.3
95.08611	53.4
97.02888	14.7
97.06505	1.9
97.10159	3.8
98.06046	2.7
98.21544	1.6
99.04442	5.5
103.05521	1.0
104.07122	1.7
105.04516	1.6
105.07034	39.6
107.08598	51.6
109.02880	15.0
109.06509	1.5
109.10159	100.0
110.10461	1.1
111.04449	4.2
111.08093	3.3
117.06992	4.8
119.08590	43.3
121.10152	36.2
123.11699	10.6
125.09650	1.8
127.03921	16.3
131.08572	6.9
133.10146	13.2
135.11691	14.3
137.09610	4.4
137.13235	2.8
143.08545	1.8
144.06528	2.9
144.09344	1.5
145.04991	2.5
145.10124	12.8
147.11697	16.4
149.09660	3.0
149.13261	19.5
155.10666	13.0
157.10022	2.0
159.11694	19.6
159.28531	1.1
161.13277	18.1
163.14824	14.9
173.11766	57.3
173.13268	7.2
175.14836	13.5
177.16415	8.9
182.15660	1.1
184.07338	1.3
185.13284	1.0
187.14873	6.4
189.11046	1.1
189.16373	9.3
191.17979	1.1
201.16365	9.5
203.17989	5.3
210.14919	1.2
213.16281	1.2
215.17964	17.3
229.19572	2.6
243.20973	1.4
266.99210	1.1
267.15967	1.8
271.24228	32.1
281.13687	1.3
299.14893	42.6
300.15170	1.2
309.24149	2.0
317.15939	3.1
367.95834	0.9
370.22513	1.4
391.47919	1.0
501.35638	1.1
596.40717	2.1
622.43567	6.4
640.40527	2.3
737.47028	1.1
784.47760	4.3
802.52734	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	802.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	1.1
57.03424	2.1
57.07055	1.1
60.04526	1.1
65.03918	2.2
67.05511	16.2
68.05028	3.3
69.03441	8.7
69.07079	5.3
70.06575	1.4
71.04976	2.2
72.04514	0.8
73.02914	1.3
77.03925	0.8
79.05501	19.0
80.04990	1.5
81.03427	16.3
81.07064	40.1
82.06560	0.7
82.07363	0.6
83.04991	2.8
83.08611	1.5
84.04507	4.6
84.08133	1.0
85.02904	5.8
91.05490	21.2
93.07053	42.3
94.06574	12.1
95.04977	23.3
95.08613	22.4
96.04494	4.6
97.02896	5.8
97.06509	1.8
97.10150	2.4
98.06064	3.6
99.04462	2.9
103.05444	1.1
105.04491	2.4
105.07038	31.2
107.04948	1.6
107.08601	27.6
108.04466	0.9
109.02892	4.3
109.06499	2.5
109.10157	14.5
110.06050	5.1
111.04428	2.4
111.06818	1.0
111.08084	1.3
112.03975	37.6
112.07604	4.6
113.05983	0.9
114.05541	14.9
115.03926	0.7
115.05406	1.2
117.07034	4.9
119.08591	38.6
121.06513	4.1
121.10154	33.1
122.06038	9.3
123.04441	20.8
123.08047	3.1
123.11707	5.5
125.09670	1.1
126.05511	1.8
127.03925	2.0
127.29971	0.5
128.06226	1.2
129.06966	2.4
130.07777	1.2
131.08583	9.0
133.10143	16.8
135.08058	3.7
135.11697	10.2
136.07558	1.2
137.09584	1.8
137.13264	1.0
140.07076	67.5
141.05461	4.1
142.07770	2.3
142.08713	0.8
143.08582	4.7
144.09300	1.1
145.04950	0.8
145.09052	1.1
145.10138	14.0
147.08060	1.2
147.11691	13.6
149.09579	3.6
149.13272	7.9
154.04953	0.6
155.08574	2.2
156.06560	0.8
156.09346	1.6
157.10144	7.3
158.08144	54.7
159.08115	1.1
159.11697	15.1
160.12335	0.6
161.09627	2.5
161.13284	8.5
163.11203	1.9
163.14825	4.6
164.07056	0.9
169.10133	3.6
171.08127	0.6
171.11694	5.1
173.09648	1.2
173.13280	6.1
175.11171	3.3
175.14853	4.7
176.09195	85.3
177.09436	0.9
177.12703	1.0
181.10136	0.8
183.11716	2.5
185.13254	3.9
187.11180	1.2
187.14806	4.6
189.12753	1.8
189.16405	5.2
191.14273	1.3
193.12119	0.6
195.11658	0.9
197.13304	3.5
199.14827	2.4
200.09276	1.5
201.12700	0.9
201.16365	2.3
203.14316	0.9
203.17995	1.7
209.13235	0.9
211.14828	2.7
213.16339	2.0
215.14357	1.8
215.17914	1.5
217.15947	2.1
218.10249	2.6
223.14795	1.3
225.16345	1.4
227.17984	2.5
229.15950	1.2
229.19487	1.8
239.18036	0.7
248.09113	1.9
253.19693	0.7
255.21144	1.2
257.18988	0.7
257.22629	4.6
266.10263	4.8
267.21100	3.7
269.19073	0.7
283.20529	0.8
284.11459	0.7
285.22147	7.3
293.13876	0.7
295.20532	0.6
302.12457	0.7
309.22003	0.6
320.13370	1.0
325.21658	0.6
327.23355	1.2
338.14642	1.0
369.24091	0.7
375.23053	0.7
383.25934	0.6
393.24225	3.0
411.25400	4.0
419.27975	0.6
429.26318	5.9
447.27530	7.2
460.30188	0.8
554.29688	5.5
568.32843	1.9
586.33795	1.8
604.34991	10.1
622.35907	100.0
623.36041	5.8
640.36786	1.5
784.40399	2.4
802.42023	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	801.4762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.0
61.02929	7.2
65.03956	0.4
67.05510	6.4
69.03436	3.3
69.07086	1.1
70.68103	1.1
71.01354	0.6
71.04991	0.8
73.02927	4.5
79.05505	6.9
81.03437	1.9
81.07068	5.1
83.04990	0.4
83.08640	1.0
85.02908	6.0
86.09719	0.6
87.04488	0.7
91.03963	3.3
91.05483	5.1
93.07046	5.7
94.44978	0.4
95.04982	1.1
95.08619	4.1
97.02902	5.4
97.06560	0.5
99.04482	0.8
101.02387	2.2
105.07023	2.3
107.04981	0.7
107.08636	1.9
109.02876	0.9
109.10133	1.1
117.07026	0.9
119.08598	1.7
121.10146	2.3
127.03971	1.0
131.08626	1.1
133.10162	1.1
135.11743	1.0
139.81604	0.4
143.08502	0.4
145.10136	0.7
147.11813	0.5
149.13152	0.4
155.67625	0.4
159.11722	0.6
169.29958	0.4
184.07355	1.1
185.04251	0.6
203.05428	0.5
243.08499	2.7
307.22803	0.8
333.20380	3.2
399.36337	0.4
453.21292	0.5
491.26193	8.1
520.93433	0.4
551.28021	2.7
623.13312	0.4
759.07648	0.5
801.47607	100.0
802.47913	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	802.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	1.2
57.03424	2.2
57.07075	0.6
57.27607	0.6
65.03941	2.0
67.05180	0.9
67.05509	10.3
68.05033	4.1
69.03434	8.9
69.07066	4.4
70.02958	0.7
70.06596	12.6
70.89634	1.4
70.89975	0.7
71.05003	1.4
72.08146	2.5
73.02936	0.8
73.43478	0.6
77.03916	1.0
79.05497	30.3
80.05023	7.1
81.02970	0.5
81.03419	10.9
81.06590	1.3
81.07059	23.7
83.04982	5.8
83.08622	1.2
84.04498	2.6
84.08158	4.6
85.02908	6.8
85.06555	0.8
86.09712	3.5
87.04438	0.7
91.04917	0.7
91.05484	16.7
93.07047	23.1
95.04982	7.5
95.08614	16.4
96.04461	1.1
96.08126	1.1
97.02891	3.2
97.06545	7.3
97.10155	0.8
98.06059	23.2
99.04458	3.2
101.06034	0.7
103.05474	1.5
105.04510	1.4
105.07040	25.4
107.04958	6.8
107.08602	19.6
109.02887	4.9
109.06526	3.0
109.10163	6.1
110.06033	0.8
111.08099	1.8
112.07597	0.6
115.05480	1.4
116.07069	2.8
117.07026	5.6
119.04927	0.7
119.08589	30.6
120.08112	2.3
121.06531	4.4
121.10161	10.8
123.04481	0.7
123.08086	4.3
123.11684	2.2
124.07604	5.9
125.06000	46.0
126.05529	0.6
126.09142	0.7
127.03932	3.0
128.06229	1.1
129.07037	3.4
129.10274	1.7
130.07797	1.7
131.08578	15.5
133.06546	0.8
133.09132	0.8
133.10135	13.6
133.11102	1.0
135.08064	7.0
135.11682	4.0
136.07591	1.4
140.07054	1.1
141.06990	1.1
142.08646	100.0
143.08556	6.5
144.09322	2.2
145.05006	0.8
145.06438	0.7
145.10132	23.2
146.10765	0.5
147.08060	8.9
147.11707	7.4
149.09612	1.7
149.13295	2.8
152.07126	0.6
154.11812	0.6
155.08525	2.7
155.83301	0.6
156.09354	1.7
157.10143	10.0
159.08055	3.4
159.11699	15.5
160.09711	42.4
161.09616	3.3
161.13264	8.8
163.07523	0.7
163.11165	0.9
163.14847	1.8
165.09077	1.4
167.08594	0.8
169.10197	2.1
170.10880	0.7
171.08075	1.0
171.11716	5.1
172.08907	0.8
172.12421	1.0
173.09642	4.2
173.13249	6.0
174.41646	0.6
175.11223	2.0
175.14783	1.5
178.08594	0.8
181.10149	1.1
182.10953	0.7
183.11671	2.9
185.09610	3.2
185.13275	6.1
187.11243	3.5
187.14825	12.8
189.12723	1.4
189.16364	0.7
195.11713	2.1
197.13315	2.8
199.11288	1.3
199.14845	4.8
200.15607	0.7
201.12729	3.8
201.16385	11.3
202.10777	1.0
202.17123	1.0
203.14342	1.4
206.08115	0.8
207.11868	0.6
209.13287	2.1
211.14813	1.9
213.07545	0.8
213.12747	3.0
213.16417	2.5
215.14343	3.7
221.13255	0.7
223.14842	1.4
225.16406	1.3
227.09154	1.1
227.14275	3.1
227.17899	3.4
231.14032	0.6
232.09605	1.4
239.18130	0.6
241.15970	0.8
241.19583	0.7
250.10803	1.7
255.21063	7.5
265.19519	3.1
268.11890	0.9
281.19031	0.7
283.20605	12.8
295.20392	0.7
301.21585	3.3
304.13870	0.7
363.22580	0.7
407.58163	0.7
409.24017	1.4
427.24969	2.6
442.29453	0.8
445.25980	8.4
463.26965	1.0
511.75745	0.6
529.21741	0.7
536.28345	0.9
550.31775	0.8
565.55695	0.6
568.32721	0.9
586.33905	6.0
604.34827	32.9
605.35272	1.8
622.35944	21.0
623.36542	1.3
640.37543	1.3
784.40973	3.4
802.41821	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	800.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	4.5
57.03444	6.6
58.06586	0.8
61.02933	10.3
62.13574	0.7
65.03931	1.3
65.70518	0.9
67.05510	27.0
68.05025	1.9
69.03084	1.3
69.03432	15.8
69.07081	6.6
70.06598	14.3
70.85873	1.9
71.04983	2.5
72.04516	1.5
72.08155	4.0
73.02921	5.6
73.03291	1.2
79.05501	36.8
80.05008	2.1
81.02992	1.3
81.03427	17.5
81.07059	28.7
82.06588	1.8
83.04988	5.6
83.08621	5.9
84.04514	10.1
84.08151	6.6
85.02908	9.9
85.06543	1.4
86.06074	48.0
86.09700	6.9
87.04472	27.8
91.03947	4.6
91.05486	18.7
93.07050	36.4
94.06571	3.5
95.04980	8.9
95.08610	19.2
96.04503	1.5
96.08131	2.5
97.02901	8.9
97.06554	6.5
97.10192	1.5
98.06064	32.4
99.04474	1.5
99.08096	1.9
102.05546	2.0
104.07111	27.5
105.04488	1.1
105.07035	11.1
107.04931	2.0
107.08603	9.2
109.06531	1.8
109.10163	6.7
110.07153	1.7
111.04461	0.8
111.08094	2.0
112.07619	18.0
114.05517	1.5
117.07050	4.0
119.08587	7.8
120.08112	4.2
121.09319	1.6
121.10148	20.9
122.06038	1.0
122.09659	0.9
123.08073	2.4
123.11676	1.9
124.07592	3.4
125.09629	1.4
126.05516	5.8
126.09138	2.7
127.03907	1.9
129.05402	1.2
129.07039	3.9
129.10252	1.7
131.08553	7.2
133.02676	0.8
133.06506	1.2
133.10141	6.8
135.11696	7.1
136.07584	1.1
137.09662	1.3
137.13228	1.1
138.05450	0.9
138.09137	2.7
138.12767	2.2
139.11198	1.3
140.07068	3.0
141.10229	1.0
142.07681	1.1
142.08656	3.3
145.10091	3.5
147.11690	4.2
148.07600	3.1
149.09625	29.2
149.13284	3.5
151.11217	1.6
154.08630	2.2
157.10127	2.1
158.08167	9.1
159.11668	5.1
163.11180	1.3
165.12758	3.2
166.12289	2.4
166.67603	0.8
173.13263	1.2
175.11185	4.0
177.12787	1.7
182.15497	0.9
183.14865	1.1
184.07367	2.6
184.13324	2.9
185.09410	0.9
193.12265	8.9
195.13759	1.6
205.19444	1.1
206.15388	2.4
210.14932	6.6
211.13193	1.6
215.17973	6.1
224.16440	2.3
233.19066	4.8
234.14871	2.9
250.18045	3.7
252.16042	10.2
260.16461	4.6
267.15915	24.9
268.19122	2.7
270.17139	1.3
278.17514	11.9
296.18579	6.1
302.19995	1.0
307.22702	31.4
314.19672	2.3
326.19675	2.2
332.24121	1.6
344.20718	4.4
352.21249	1.4
362.21774	2.3
370.22165	3.8
388.23267	8.4
499.34137	9.9
517.35132	3.7
518.35657	0.9
576.38904	5.2
594.39984	32.6
595.40051	2.4
602.40424	4.3
620.41595	100.0
621.41895	5.0
738.43457	2.4
756.45026	3.4
764.45410	1.1
782.46893	52.3
783.46967	3.7
800.50085	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	800.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	5.1
57.03444	8.6
57.07079	1.2
58.06602	1.3
61.02930	8.9
65.03938	2.4
67.05508	29.2
68.05025	2.0
69.03431	15.0
69.07071	5.8
70.06600	12.3
70.62485	2.5
71.04993	2.7
72.04514	2.7
72.08148	2.6
73.02908	4.6
79.05498	35.9
80.05022	2.1
81.03423	18.8
81.06586	1.6
81.07065	28.2
82.06587	2.1
83.05001	5.4
83.08624	6.5
84.04511	9.9
84.08145	4.0
85.02908	8.1
85.06559	1.2
86.06072	45.7
86.09708	5.9
87.04472	25.5
91.03956	3.9
91.05487	18.5
93.07049	34.3
94.06578	2.8
95.04981	7.0
95.06109	0.9
95.08608	18.8
96.08147	2.8
97.02892	6.5
97.06535	6.5
97.10154	1.4
98.05430	1.8
98.06059	29.7
101.02402	1.3
102.05540	1.1
103.05473	1.1
104.07115	30.3
105.07030	12.9
107.04973	1.8
107.08601	11.8
109.02904	1.3
109.06511	1.5
109.10155	5.9
110.06087	1.2
111.08102	3.2
112.07614	16.5
113.43842	0.8
114.05476	1.1
117.07003	4.0
119.08582	7.8
120.08105	4.5
121.06474	1.3
121.10153	18.2
122.06006	1.3
123.08101	2.3
123.11703	2.2
124.07606	3.4
125.09622	1.2
126.05521	4.9
126.09139	1.8
126.23997	0.8
126.31441	0.8
127.03973	1.1
128.65923	0.7
129.05576	0.7
129.06982	2.4
131.08578	8.3
133.10156	6.5
135.08092	1.5
135.11707	7.1
138.05498	0.8
138.09097	1.7
138.12782	2.3
139.11241	1.1
140.07066	4.1
141.10210	0.8
142.08658	3.0
145.10149	3.1
147.08109	0.9
147.10706	0.9
147.11682	6.0
148.07542	2.6
148.11172	1.0
149.08406	1.5
149.09624	29.5
149.13272	2.5
150.09135	1.1
151.11124	1.1
154.08670	2.5
157.10133	2.7
158.08157	8.4
159.11708	3.5
163.11142	1.9
165.12744	2.4
166.12305	2.8
167.10689	1.4
173.13319	1.9
175.11197	3.5
177.12807	1.9
182.15419	1.9
183.14908	1.2
184.07390	2.5
184.13327	3.3
192.13911	1.4
193.12267	8.9
194.15355	1.0
195.13852	1.9
206.15402	2.8
210.14906	5.8
211.13235	1.5
215.17944	4.5
224.16475	2.6
233.19090	5.4
233.52046	0.8
234.14915	2.2
239.47240	0.8
250.18060	3.9
251.11810	0.8
252.15993	9.5
260.16495	5.8
267.15918	22.7
268.15927	0.9
268.19089	1.8
270.16882	1.3
273.15332	0.8
278.17535	11.9
286.20053	1.1
296.18576	5.4
302.19571	2.0
307.22696	30.3
314.19623	3.2
326.19601	2.0
332.24094	0.9
342.22565	1.2
344.20578	3.5
352.20981	1.0
362.21906	2.2
370.22202	4.4
388.23315	6.7
488.01956	1.0
499.34140	10.5
517.35333	5.4
546.38959	0.8
558.11694	0.8
576.38995	5.1
594.40070	30.4
602.40643	5.1
620.41577	100.0
621.41730	5.2
738.44073	2.7
756.45087	3.0
782.46832	54.4
783.47156	4.1
800.49982	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	800.4432
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	0.4
57.07065	0.4
61.02925	0.5
65.03945	0.8
67.05507	7.1
68.05019	0.4
68.05847	0.3
68.19160	0.3
69.03433	2.4
69.07079	2.7
69.30116	1.1
69.30540	2.1
70.06216	0.4
70.06598	8.3
73.02898	0.5
75.21580	0.3
79.05497	7.3
81.03425	3.4
81.07063	15.2
82.06586	34.8
83.04988	0.7
83.08607	0.6
84.08154	0.9
85.02909	4.7
86.09698	0.8
91.05484	7.6
93.07050	13.3
93.07644	0.7
94.06563	1.4
95.04968	1.8
95.08614	9.2
96.08137	1.4
97.02906	3.0
97.10143	0.5
99.04482	0.7
100.07613	2.8
103.05472	0.4
103.80030	0.4
105.04527	0.8
105.07038	9.7
107.08604	13.8
108.28325	0.4
109.02888	3.6
109.06533	0.7
109.10165	7.0
110.09647	0.4
112.07630	0.6
117.07031	1.1
117.98125	0.3
119.08589	7.3
121.10155	6.2
122.06055	1.1
123.11736	2.5
124.07603	4.1
126.05528	0.7
127.03924	3.7
128.07086	100.0
129.07426	1.1
131.08559	1.2
133.10144	2.8
135.11690	3.4
140.07106	1.3
142.08647	6.0
145.04965	1.1
145.10136	1.9
147.04417	0.4
147.11696	3.7
149.13298	2.4
159.11690	2.2
161.13315	2.0
163.14851	0.9
168.06602	3.2
170.08160	1.1
173.13266	0.8
175.14813	1.1
177.16356	1.1
186.07703	1.9
187.06013	2.6
187.14830	0.6
188.09195	7.9
189.09605	0.4
189.16472	0.9
201.16435	1.1
203.17955	0.9
205.07117	2.5
215.17964	2.0
268.11880	0.7
271.24210	1.4
286.12891	1.0
290.12302	0.4
296.11386	2.5
304.13895	0.8
314.12357	5.2
332.09390	0.8
332.13416	19.5
350.14478	49.4
351.14719	1.2
494.18723	0.5
552.31708	0.9
620.37970	14.2
621.38306	0.8
638.38733	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.4
57.07053	0.4
57.77723	0.3
61.02927	0.8
65.03945	0.6
67.05507	7.1
69.03438	2.4
69.07071	2.8
70.06598	7.5
71.04986	0.4
71.23578	0.6
72.08146	0.5
79.05495	8.2
81.03429	3.1
81.07059	15.0
82.06583	31.8
82.33316	0.3
83.04971	0.5
83.08607	0.8
84.04494	0.4
84.08141	0.7
85.02909	3.8
86.09702	0.5
91.05491	6.7
93.07049	12.7
93.07642	0.7
94.06570	1.1
95.04964	2.1
95.08614	9.8
96.08134	1.6
97.02895	3.2
97.10197	0.5
99.04453	1.1
99.79566	0.4
100.07635	2.1
103.05453	0.4
105.07038	8.4
107.08601	13.2
109.02884	4.3
109.10156	6.5
110.09756	0.3
111.11688	0.3
112.07592	0.8
117.07010	0.9
119.08592	7.0
120.08093	0.5
121.10149	5.9
121.10947	0.6
122.06054	1.5
123.11730	2.3
124.07606	3.8
126.05537	0.8
127.03951	3.7
128.07085	100.0
129.07428	0.5
131.08594	1.2
133.10130	3.7
135.11702	3.1
140.07080	0.9
142.08629	6.3
145.04964	1.0
145.10117	1.7
147.11702	3.5
149.13307	2.4
159.11678	2.2
161.13351	2.5
163.14842	1.4
168.06564	3.2
169.05016	0.5
170.08115	1.5
173.13307	1.0
175.14792	1.6
177.16423	1.0
186.07675	1.8
187.06021	2.3
187.14948	0.7
188.09190	8.0
189.16457	0.8
201.16403	1.4
203.17999	1.1
205.07042	1.9
215.18036	1.6
268.11938	1.1
271.24194	1.8
286.12823	0.7
290.12451	0.5
296.11340	2.4
304.13937	0.7
314.12314	4.9
329.44623	0.4
332.13416	19.5
342.03799	0.3
350.14465	43.2
351.14871	1.1
403.48383	0.4
552.31842	0.8
595.84851	0.4
620.38025	17.0
621.38812	0.7
638.38605	0.8
640.16223	0.4
684.12891	0.4
819.39819	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.5329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	4.4
57.07081	2.3
59.05007	13.4
61.02935	6.0
65.03905	1.1
67.05504	8.2
69.03433	6.0
69.07071	1.8
69.17091	2.9
69.17500	7.9
70.06593	5.2
73.02917	4.7
75.72742	1.1
79.05487	4.4
81.03423	1.6
81.07059	7.3
83.08601	1.7
83.53847	1.2
85.02902	6.2
86.09702	3.4
87.04483	1.4
89.06064	1.3
91.03979	5.2
91.05492	2.9
93.07018	5.4
95.08613	7.5
97.02895	5.0
97.10177	1.3
99.04498	1.4
101.02413	2.7
105.07028	1.7
107.08614	4.8
107.67661	1.2
109.02897	1.4
109.10190	3.8
116.07111	5.9
117.09132	2.1
121.10172	1.6
125.00039	2.0
127.03951	2.8
133.10094	1.2
135.11707	1.7
178.92009	1.2
184.07330	11.8
199.12083	1.1
204.77127	1.4
236.04762	1.1
243.08444	2.3
347.26212	2.9
365.26947	1.2
519.29303	7.1
521.30957	5.1
687.55725	1.9
799.53339	100.0
800.53564	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	798.5644
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	0.9
57.03451	0.2
57.07082	0.3
57.29126	0.1
58.06628	0.5
59.04998	0.6
59.07116	0.1
59.07379	0.2
60.08169	6.4
65.03934	0.1
67.05501	0.5
69.07074	0.3
69.19844	1.1
70.06590	0.5
71.06985	0.2
71.07378	3.9
71.08617	0.2
79.05467	0.2
81.03413	0.1
81.07065	0.5
83.08610	0.2
86.09711	31.2
87.10049	0.3
89.59022	0.1
91.05453	0.3
93.07063	0.3
95.08604	0.5
97.10153	0.1
98.21478	0.2
98.98471	4.0
104.10742	2.1
105.07037	0.2
106.16800	0.1
109.10175	0.2
116.07098	0.3
119.08592	0.3
121.06577	0.1
125.00013	21.3
136.06189	1.7
143.01018	0.1
145.10170	0.1
166.02640	0.2
184.07350	100.0
185.07681	0.8
186.07826	0.1
313.27283	0.2
624.95477	0.1
626.44299	0.2
628.73389	0.1
780.55493	3.1
781.55090	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.565
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05056	0.8
59.05010	0.7
60.08170	6.2
61.63000	0.7
71.07373	3.5
71.51551	1.2
86.09711	34.9
87.82046	0.7
98.98478	4.6
104.10748	3.1
125.00011	23.8
136.06151	1.2
151.77115	0.7
164.59828	0.8
166.98250	0.6
184.07355	100.0
185.07661	1.7
189.32707	0.7
503.60141	0.7
780.55573	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	799.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07077	0.5
71.04985	0.7
71.50261	0.5
73.53053	0.4
76.18892	0.4
81.07058	0.9
84.08174	0.6
85.02885	0.9
91.05515	0.6
93.07060	0.4
105.07063	0.6
107.08604	0.8
112.87133	0.4
113.02167	0.6
119.08610	0.5
121.10180	0.5
128.07133	1.3
135.11755	0.4
141.05257	0.5
145.20920	0.4
169.04778	0.8
185.04213	1.9
201.03737	0.7
203.05324	1.7
331.10043	2.8
347.09384	2.4
349.11017	0.7
446.58279	0.5
473.28903	0.7
475.30414	0.9
556.66058	0.5
619.34546	7.3
621.36188	24.1
622.36902	1.4
695.22089	0.5
799.40894	100.0
800.41406	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	798.5361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	15.3
57.07058	7.1
59.04982	6.2
61.02913	2.9
63.57411	1.5
63.57749	1.5
65.03928	3.5
67.05509	93.7
69.03419	7.1
69.07072	38.6
70.52910	1.6
70.80177	1.5
71.04988	5.7
71.08606	1.9
72.08143	2.0
73.02909	1.6
75.97734	1.6
79.05496	51.6
80.74642	2.1
81.03422	11.0
81.07061	100.0
83.04967	8.5
83.08627	19.6
85.02900	6.4
85.06544	4.1
86.09685	2.5
91.05489	42.6
93.06486	2.9
93.07053	48.4
95.04974	8.5
95.08615	47.0
96.38520	1.6
97.02894	4.2
97.06532	11.9
97.10170	7.0
98.20729	4.0
99.04459	2.1
99.08084	7.1
105.07036	31.3
105.89926	1.8
107.04958	4.0
107.08595	25.4
109.06494	4.6
109.10159	20.9
111.04351	1.9
111.08069	2.5
112.96207	1.7
113.09632	2.2
117.07032	13.1
119.08621	18.1
121.06487	4.0
121.10136	16.7
123.08083	3.9
123.11738	9.3
125.09637	4.9
127.03915	2.9
129.05492	2.1
129.06985	3.5
131.08568	13.6
133.10135	21.9
135.08063	2.4
135.11691	13.6
136.06145	2.6
137.09636	3.3
137.13196	2.4
141.07019	2.7
141.28729	1.7
145.10120	9.2
146.74055	1.7
147.11708	12.6
149.09598	6.6
149.13304	8.9
151.11153	2.6
157.10139	4.3
159.11684	9.2
161.13194	4.0
163.11169	2.6
171.11670	2.2
171.98865	2.1
173.04414	4.3
173.09608	1.7
173.13232	3.8
175.14851	2.7
177.12680	3.4
179.14267	2.0
184.07278	6.5
195.13741	3.6
215.18082	2.1
217.19470	4.7
227.12794	2.0
229.14389	6.8
235.20590	5.1
239.17937	4.9
255.15913	6.8
257.19028	5.6
269.17456	16.0
275.20053	16.0
292.78748	1.7
293.20987	2.0
299.14847	4.6
309.24252	88.4
309.39682	2.0
310.24481	2.2
313.27499	3.5
331.22913	2.2
349.23816	14.5
351.27347	2.0
367.24966	2.4
463.34109	7.1
489.35788	14.6
490.36581	2.3
503.37344	51.8
520.24396	2.2
543.40033	7.1
583.35278	2.0
583.43591	21.8
601.44336	6.2
653.37183	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	798.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05014	0.4
59.05003	100.0
60.05333	0.4
67.05502	0.7
68.77206	0.3
69.03426	0.7
69.83787	0.3
70.06599	3.0
71.04994	1.0
71.50367	0.3
71.54663	0.3
72.08158	1.0
73.02928	3.5
73.06558	7.0
78.83282	0.3
79.05478	0.5
81.03442	0.6
81.07063	1.0
84.04504	0.9
84.08137	1.9
85.02902	1.0
86.09709	4.1
87.04472	20.1
89.06033	88.8
90.06356	0.8
91.05486	0.6
91.07607	0.5
92.82656	0.3
93.07042	0.7
94.29268	0.3
95.04986	0.6
103.07584	77.2
104.07914	0.7
105.07036	0.7
107.07043	1.8
107.08598	0.5
109.02846	0.3
113.06012	1.7
113.77060	0.3
115.07595	0.8
117.09142	7.1
119.08570	0.6
120.08123	0.4
128.07596	0.3
129.10272	0.9
130.08661	0.6
131.07051	4.6
133.08606	54.1
134.08936	0.5
136.06183	2.6
136.07652	0.3
144.86389	0.3
145.10078	0.5
147.10165	32.1
148.10399	0.5
151.68396	0.3
155.08192	0.4
157.08627	0.5
159.10173	0.7
159.11656	0.3
161.11761	2.3
169.06216	0.3
171.24701	0.3
175.09671	3.0
177.11230	17.0
191.12737	1.9
215.13908	0.4
219.12267	1.1
221.13849	2.9
223.15392	0.7
234.10358	0.3
235.15485	0.4
236.71399	0.3
250.09895	0.6
265.12207	1.4
265.16461	1.1
282.14774	0.7
283.17587	0.6
301.26230	0.3
309.19119	0.7
315.44403	0.3
327.19940	0.3
353.21667	0.4
447.30118	0.4
645.12842	0.3
665.74573	0.4
781.46704	1.1
798.50537	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	797.5174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.0
59.04996	0.6
61.02934	7.2
67.05511	5.9
69.03432	4.2
69.07095	0.8
71.01375	0.5
71.05003	0.7
71.28397	0.4
71.28732	0.4
73.02924	5.6
79.05497	5.3
79.05914	0.5
81.03438	1.4
81.07067	6.6
83.08636	0.7
85.02911	7.0
86.09701	0.5
87.04476	0.4
91.03970	4.1
91.05487	2.2
93.07053	5.0
95.04961	0.3
95.08623	4.4
97.02899	6.3
99.04479	0.8
101.02398	2.4
105.07043	1.9
107.08583	2.7
109.02882	0.8
109.10155	2.0
115.03934	0.5
117.07069	0.5
119.08604	1.1
121.10165	2.3
123.08089	0.5
123.11725	0.4
127.03944	1.6
131.08588	1.0
133.10156	1.0
135.11723	1.1
145.05054	0.5
147.11761	0.6
184.07390	0.9
185.04317	1.0
203.05284	0.5
225.41762	0.4
243.08386	1.8
309.44366	0.4
314.50262	0.4
335.26126	0.8
427.25418	0.4
519.29315	15.4
520.29578	0.5
797.51794	100.0
798.52203	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	796.549
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05043	0.9
58.06618	0.4
59.05008	1.3
60.05315	0.1
60.08167	6.5
61.35189	0.1
67.05513	0.3
69.07066	0.2
69.81847	0.3
69.82235	0.3
70.06593	0.2
71.07377	4.3
79.05491	0.2
81.07053	0.4
86.09709	33.0
87.04481	0.2
89.06026	0.1
91.05469	0.2
93.07049	0.4
95.08607	0.3
98.98466	4.7
104.10744	2.8
105.07060	0.3
107.08592	0.2
116.07097	0.3
117.09133	0.4
118.08624	0.2
119.08586	0.2
125.00008	23.7
143.01033	0.3
184.07346	100.0
185.07646	0.8
233.17493	0.2
234.37589	0.1
439.18390	0.1
796.54877	3.6
797.54883	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.5489
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	0.9
57.07091	0.2
58.06630	0.5
59.04998	1.3
60.08166	6.2
61.35412	0.1
67.05514	0.9
69.07049	0.4
70.06596	0.3
71.07378	4.0
71.88644	0.2
72.07688	0.2
79.05504	0.7
81.07079	1.0
83.08633	0.2
83.79758	0.1
86.09710	33.1
87.04483	0.2
87.10054	1.0
89.06023	0.2
91.05482	0.5
93.07038	0.6
95.08620	0.9
98.98474	4.5
104.10741	2.1
105.07041	0.3
107.08605	0.4
109.06533	0.1
109.10158	0.4
116.07047	0.1
117.09155	0.3
118.08650	0.3
119.08568	0.3
125.00012	23.0
126.00404	0.4
126.37479	0.1
127.00410	0.2
133.10152	0.4
143.01036	0.3
162.21672	0.1
166.02672	0.2
168.91408	0.1
184.07347	100.0
185.07715	3.0
186.07806	0.9
209.74124	0.2
309.24039	0.2
324.49643	0.2
514.30536	0.2
523.47760	0.2
568.40845	0.2
599.42017	0.2
774.96429	0.2
778.53802	2.3
796.54260	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.5203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	29.9
57.07066	1.9
59.04989	3.5
59.68070	1.7
61.02925	3.0
65.03925	6.7
67.05508	89.5
69.03422	6.6
69.07076	26.7
70.95615	5.3
71.04982	3.2
71.36946	1.8
73.02929	2.7
74.42480	1.9
76.94256	2.0
79.05498	85.4
81.03411	12.4
81.07059	100.0
83.04975	13.1
83.08617	14.9
85.02895	6.0
85.06533	3.7
86.09718	3.4
91.04911	2.8
91.05486	73.5
93.07048	80.5
95.04977	20.6
95.08607	63.3
97.02855	4.2
97.06540	11.8
97.10169	2.5
99.04473	2.2
99.08084	4.0
103.05453	3.9
105.04532	2.1
105.07036	45.5
107.04977	10.5
107.08607	40.2
109.02892	2.1
109.06513	10.7
109.10148	24.9
111.08089	6.7
115.05438	4.1
117.07012	20.3
119.07802	3.0
119.08591	34.2
121.06490	4.2
121.10154	36.9
123.08051	5.8
123.11713	4.5
125.09641	3.7
127.07575	3.9
128.06255	4.1
129.07036	22.0
131.08577	39.3
133.06491	1.9
133.10136	27.3
135.08084	9.2
135.11702	18.0
137.09613	8.0
141.06964	6.4
142.07744	2.9
143.07024	2.3
143.08568	12.1
145.10135	34.3
147.08026	4.9
147.11702	19.4
149.09637	12.3
149.13246	7.0
151.11198	3.1
155.08533	4.3
157.10110	12.0
159.08145	1.9
159.11716	13.2
161.09589	3.2
161.13266	9.8
163.11137	5.8
167.08624	2.5
167.10648	2.9
169.10143	8.7
171.11664	16.9
173.13277	14.4
175.11183	8.6
183.11702	3.6
184.07353	9.7
185.13171	4.8
187.11160	3.6
187.14792	5.1
189.12747	9.1
191.14330	4.4
193.67770	1.9
199.09657	5.8
201.11215	8.5
201.16359	10.0
207.13606	1.9
211.14832	7.4
212.49251	1.8
213.16429	2.3
221.50923	2.3
229.15886	17.7
239.12700	3.0
241.14316	4.6
243.21205	4.2
247.16887	18.3
261.22180	14.2
263.16391	4.3
265.17944	3.3
275.19980	2.3
281.17551	21.0
303.19540	2.8
307.22702	5.3
317.24857	2.4
321.20538	21.0
335.25809	92.4
339.22049	2.5
461.32587	4.5
501.35440	8.5
515.38031	2.1
541.38934	37.8
542.39203	2.4
581.42102	18.3
599.42657	8.6
615.31921	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	796.5207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	20.6
57.07059	2.6
61.02908	1.9
63.42431	1.5
65.03939	3.3
67.05510	88.1
69.03423	10.5
69.07069	22.9
69.76806	1.5
70.06544	2.0
71.04995	6.0
71.09734	2.6
77.03896	2.2
79.05497	94.3
79.98653	1.6
81.03423	11.2
81.07062	85.9
83.04990	9.8
83.08624	12.1
85.02897	7.0
85.06541	4.3
86.71601	1.5
91.05489	63.4
93.07050	87.1
94.07401	2.1
95.04961	10.6
95.08611	46.4
97.02901	4.7
97.06541	11.3
97.10156	4.7
99.08076	4.9
103.05495	3.0
105.04537	2.0
105.07038	47.6
107.04954	5.4
107.08607	39.0
109.06514	6.9
109.10166	24.9
111.08089	4.4
113.09702	2.4
115.05428	2.0
116.07090	2.0
117.07021	19.9
119.08586	31.0
121.06539	4.7
121.10154	40.9
123.08085	3.8
123.11699	5.1
125.09656	3.3
127.03927	4.1
128.06248	2.2
129.05490	2.5
129.06996	8.6
130.07773	2.2
131.08565	26.0
133.10143	25.1
135.08090	3.4
135.11691	24.1
136.06377	1.7
137.09692	3.7
137.13295	2.5
138.40654	1.6
143.08559	8.4
145.10141	21.1
147.08038	2.7
147.11685	13.3
149.09627	9.1
149.13274	12.8
151.11110	2.5
155.08516	3.1
157.10110	8.1
159.11714	17.6
161.13229	4.7
163.11174	6.7
163.14755	2.0
169.10112	4.2
170.72073	1.8
171.10188	1.6
171.11659	6.6
173.04468	3.4
173.13264	13.1
175.11221	3.2
175.14734	2.0
177.12755	4.0
179.14211	1.8
183.11687	3.7
185.13271	4.4
187.14830	3.9
189.16399	2.2
195.13823	3.8
197.13292	3.1
199.14905	2.3
201.16396	2.0
213.16487	3.0
215.17932	11.2
217.15904	2.2
219.17473	2.1
227.12764	1.6
229.14378	6.7
229.19576	2.1
231.17389	3.0
233.18970	9.3
239.17972	4.0
255.15952	7.5
257.19000	6.7
267.15710	2.3
269.17426	14.9
275.20081	15.3
293.20996	2.9
307.22705	100.0
308.22934	2.1
309.20526	4.1
349.23810	14.7
367.24832	1.9
395.29773	1.8
461.32697	7.0
487.34381	14.6
496.57321	1.8
501.35834	44.2
502.36157	1.8
541.39063	15.2
581.41919	20.4
599.42755	4.1
636.34088	1.8
796.53271	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	796.5207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52395	2.0
57.03428	16.9
57.07082	2.5
59.04999	5.2
60.49876	2.4
61.02919	3.9
65.03933	6.2
67.05509	82.4
69.03421	8.2
69.07069	24.9
70.06593	5.5
71.04984	3.3
71.51585	4.2
79.05498	100.0
81.03425	6.3
81.07063	75.0
83.04979	8.0
83.08620	21.3
85.02902	6.7
85.06541	5.0
86.09708	10.9
87.04477	2.6
91.05488	54.4
93.07050	76.1
95.04962	8.8
95.08614	44.2
97.02885	3.1
97.06522	6.2
97.10168	40.4
99.08082	3.8
101.05995	2.4
103.05489	3.0
105.04505	5.1
105.07040	49.2
107.04955	4.9
107.08604	72.1
109.02829	5.1
109.06524	7.6
109.10155	24.0
111.08104	3.8
113.05995	2.2
116.07097	3.8
117.07013	15.5
119.08595	28.7
121.10155	40.8
123.08099	3.8
123.11720	8.9
124.99978	6.5
125.09646	39.8
127.03939	4.3
129.07018	5.4
131.08578	23.2
133.10143	26.6
135.08023	6.6
135.11694	21.5
136.06194	10.5
137.13213	2.1
141.06940	2.8
143.08540	7.7
145.10146	29.5
145.65984	2.3
147.11693	17.9
149.09622	10.2
149.13261	8.7
151.11185	2.4
153.07072	2.7
153.09152	2.8
157.10159	6.0
159.11714	18.0
161.13266	7.8
162.07761	4.3
163.11203	3.7
169.10110	5.1
171.11678	5.8
173.13260	7.0
175.11263	2.7
175.14890	2.7
181.12270	2.9
183.11729	4.0
184.07347	32.0
185.13287	6.4
187.14871	3.8
188.64032	2.3
189.11218	19.6
203.14291	3.0
212.06923	2.4
213.16431	2.5
215.17969	16.3
219.41002	2.1
227.12773	46.4
231.17433	4.2
233.19035	11.7
239.18004	5.8
245.13646	3.5
257.18936	11.0
275.20059	38.9
277.21808	2.1
286.56024	2.3
305.21100	4.5
307.22672	91.9
308.23026	3.5
331.22687	5.1
349.23743	45.7
389.18051	4.6
477.32181	16.4
581.42059	80.0
582.42297	5.2
598.83899	2.4
599.42780	11.3
621.36176	5.3
692.39948	6.2
797.44415	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	794.5781
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	17.2
57.07080	8.9
59.05006	17.1
61.02933	3.5
61.94136	1.4
65.03945	4.7
67.05508	97.0
69.07071	34.6
70.06590	2.0
71.04987	3.9
71.08614	2.0
75.94959	1.4
79.05495	48.0
81.07060	100.0
82.07411	3.0
83.04994	2.1
83.08624	18.5
85.02900	3.2
85.06552	4.4
87.04472	7.5
89.06070	1.9
91.05489	28.5
93.07048	54.8
95.04964	2.6
95.08611	77.9
97.02898	2.9
97.06532	5.0
97.10139	7.5
99.08086	3.2
105.07039	20.9
107.08594	27.5
109.06552	2.0
109.10165	27.5
111.08080	3.0
111.11666	1.7
117.07011	5.7
117.09165	2.2
118.49121	1.4
119.08588	20.0
121.10152	23.4
123.11719	15.5
129.07021	1.7
131.08595	10.6
133.10141	17.3
135.11708	12.6
137.09641	1.7
137.13271	4.3
139.11229	1.7
143.08534	2.5
145.10130	9.0
147.11726	10.0
149.13229	7.3
151.14841	2.1
153.12730	1.7
157.10104	1.7
159.11723	7.4
161.13255	7.3
163.14853	6.3
165.16446	1.6
173.13341	6.8
175.13440	1.8
175.14842	4.9
184.07356	2.2
185.13409	2.8
187.14819	2.8
189.16508	2.1
199.14949	2.3
201.16397	2.1
215.18031	2.2
241.19623	2.9
243.21158	6.2
245.22621	2.6
259.20532	4.8
261.22150	17.7
263.23752	4.5
317.24805	6.7
333.24304	2.5
335.25824	70.3
336.26050	2.0
337.27386	78.5
338.27811	1.9
339.28897	3.2
347.25839	4.7
365.27307	2.3
404.95987	1.8
523.44904	3.7
597.49017	22.6
615.49884	16.2
683.52374	2.6
794.54175	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	794.5331
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	1.0
57.07069	0.2
58.06635	0.5
59.05000	1.0
60.08169	6.6
62.43388	0.1
65.57302	0.1
67.05511	0.7
69.07058	0.3
70.06597	0.3
71.07377	4.4
71.50867	0.2
79.05502	0.5
81.07060	0.9
83.08617	0.2
83.83044	0.2
85.02959	0.1
86.09712	34.8
87.04472	0.8
91.05486	0.4
93.07050	0.6
95.08607	0.8
97.06578	0.2
98.98473	4.1
104.10749	3.3
105.07037	0.4
107.05039	0.2
107.08612	0.3
109.10191	0.3
116.07068	0.2
119.08585	0.3
121.10177	0.3
123.11662	0.2
125.00014	23.5
130.08704	0.2
133.10100	0.3
135.11636	0.3
138.35414	0.2
184.07352	100.0
185.07693	0.8
259.96478	0.1
319.26297	0.6
337.27512	0.3
346.27612	0.2
475.44476	0.2
776.51843	0.2
794.53094	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	794.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	15.6
57.07070	5.6
59.04989	6.3
65.03938	6.6
65.05934	1.6
66.52567	1.6
67.05510	100.0
68.05855	1.9
69.03428	3.9
69.07067	20.9
70.06621	2.4
71.04994	6.7
73.02903	1.8
77.03911	3.4
79.05500	98.5
81.03416	7.4
81.07063	99.5
83.04992	34.2
83.08627	12.3
85.02892	4.7
85.06538	7.1
86.09695	5.4
87.04459	7.1
91.05486	77.1
93.07051	85.9
95.04990	16.5
95.08614	53.5
97.06528	6.2
97.10151	2.3
99.04403	2.2
99.08092	2.9
105.04527	4.9
105.07037	61.0
107.04964	9.0
107.08604	45.9
109.06525	12.0
109.10162	46.7
111.08102	3.8
113.05962	2.2
114.21333	1.8
115.05448	3.0
116.07089	4.5
117.07022	19.2
119.08595	26.7
121.06558	9.2
121.10151	33.2
123.08087	8.3
123.11717	9.4
125.00013	4.2
125.09618	3.6
127.07504	3.0
129.06987	5.9
131.08583	27.0
133.06503	6.6
133.10143	57.4
135.08055	7.7
135.11710	15.4
137.09599	3.0
139.81471	1.8
141.06981	2.2
143.08548	7.8
145.10130	18.7
147.08075	5.7
147.11725	9.3
149.09682	8.1
149.13261	7.5
151.07529	1.8
151.11195	23.3
153.33243	1.9
155.08589	2.5
157.10156	6.1
159.08066	3.6
159.11728	10.4
161.08452	1.7
161.09589	8.5
161.13268	3.5
163.11214	3.7
165.09091	2.4
165.12930	2.8
169.12300	3.8
170.11719	2.8
171.11668	5.0
173.09608	2.9
173.13280	5.9
175.11212	4.2
175.14867	2.9
177.09050	1.9
177.12689	1.8
179.10684	2.1
181.10229	1.7
184.07343	13.7
185.13271	2.7
189.12741	1.9
189.16248	1.7
193.12411	1.9
213.16432	2.0
215.12793	3.5
215.17990	13.7
227.17990	3.8
231.17461	1.9
233.18990	10.3
245.18970	5.9
253.14391	37.3
255.17538	3.4
261.33981	2.0
263.20016	4.0
271.15460	4.6
273.18533	30.9
275.20047	2.5
291.19540	28.8
292.45984	1.6
307.22696	89.6
308.22934	1.9
309.20639	5.7
335.25800	3.3
337.19983	3.9
347.22229	12.3
365.18994	3.3
365.23239	35.8
485.32431	3.5
503.33926	13.8
515.37524	2.5
579.40637	8.5
597.41565	84.3
598.41876	3.3
609.26563	4.0
695.26019	2.0
766.36340	1.9
794.51190	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	794.5046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	10.1
57.07074	1.8
59.04994	1.8
61.02913	2.2
65.03938	4.5
67.05505	59.5
69.03432	9.7
69.07070	29.1
70.06599	1.7
71.04984	3.1
71.45035	0.8
79.05495	62.3
81.03419	7.0
81.07058	49.7
83.04991	4.4
83.08619	12.8
85.02898	2.9
85.06551	3.7
86.09702	1.6
87.04462	3.5
91.04905	1.6
91.05482	33.5
93.07043	57.1
94.07350	1.1
95.01335	1.0
95.04965	10.6
95.08609	31.5
97.02882	10.1
97.03443	1.1
97.06524	4.6
97.10172	13.8
99.04419	1.0
99.08086	2.5
105.04513	1.7
105.07037	23.4
107.04978	5.4
107.08597	25.5
109.06522	3.7
109.10160	15.6
111.08044	1.8
115.05466	1.2
116.07085	1.5
117.07011	10.0
119.04932	1.3
119.08582	17.1
121.06489	4.0
121.10146	24.4
123.08035	3.9
123.11714	2.6
124.99992	1.8
125.09629	9.1
127.03902	0.8
128.06189	1.0
129.07047	4.9
129.63318	0.7
131.08562	12.4
133.06483	3.0
133.10153	11.2
135.08049	4.1
135.11717	12.4
137.09647	4.1
139.11205	1.1
141.06990	1.1
143.08580	3.2
145.06433	1.3
145.10110	10.3
147.08072	5.6
147.11679	6.1
149.09599	2.5
149.13287	5.9
151.11118	1.0
157.10135	4.2
159.11700	7.7
161.09637	3.0
161.13254	2.1
163.11174	2.3
165.09103	1.6
170.11826	1.2
171.11696	2.9
173.09698	1.2
173.11995	1.0
173.13283	5.3
175.11153	2.2
177.12787	2.1
184.07379	5.8
185.13277	0.9
187.14850	2.1
189.11172	4.1
189.12738	1.0
193.12379	1.0
195.13806	1.4
205.12199	1.2
205.19537	1.2
211.13376	1.6
215.17940	10.4
223.13264	18.6
227.12787	2.9
227.17946	1.1
228.97997	1.1
233.18988	8.9
249.14824	2.4
255.17560	0.9
273.18488	11.1
289.18118	0.9
289.21622	1.7
291.19547	100.0
292.19907	3.3
307.22675	93.6
308.23056	2.9
329.15591	0.9
347.22058	1.2
365.23242	50.3
366.23492	1.4
389.23346	1.0
499.34073	1.1
517.35284	3.6
529.35089	1.0
543.23248	0.8
579.40356	2.0
597.41510	79.9
598.42206	5.3
794.55133	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	794.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	13.6
57.07077	1.7
59.04995	1.3
61.02931	2.1
63.91298	0.4
65.03955	1.6
67.05508	19.9
69.03438	5.4
69.07072	8.9
70.53616	0.9
70.53977	1.0
71.01360	0.6
71.04996	68.4
73.02926	3.1
75.04485	4.4
79.05499	14.2
81.03427	2.3
81.07059	47.2
83.04983	11.7
83.08636	3.8
85.02908	100.0
85.06573	0.8
86.03255	1.0
87.04471	3.0
91.04908	0.7
91.05482	16.9
93.07050	30.2
94.07357	0.7
95.04979	2.4
95.08611	39.9
97.02892	5.4
97.06522	1.5
97.10167	2.4
99.04463	3.1
101.05980	0.9
103.03946	1.2
103.05434	0.8
104.75027	0.5
105.04532	1.0
105.07037	29.6
107.08601	37.0
109.02893	1.8
109.06522	1.5
109.10161	29.7
110.10496	0.6
111.04447	7.3
111.08058	0.7
111.11713	0.5
113.06026	0.5
117.07014	4.5
119.08586	33.5
121.06502	0.7
121.10151	27.4
123.08062	0.9
123.11720	10.2
125.06000	0.8
125.09626	1.1
127.03916	5.9
129.05487	30.9
129.07016	1.6
130.07745	1.3
131.08565	7.9
133.10138	12.9
135.08067	0.6
135.11702	14.2
137.09654	0.7
137.13269	2.8
139.07594	0.7
142.07779	0.9
143.08559	2.9
144.09331	1.1
145.04970	5.4
145.10132	11.5
147.06528	14.9
147.11693	15.1
149.09689	0.7
149.13266	18.1
155.08543	0.6
157.10155	3.6
158.10922	1.0
159.11707	17.7
161.09608	0.7
161.13263	16.2
161.14618	0.8
163.06009	1.9
163.11151	0.8
163.14839	12.8
164.09177	0.9
165.12622	0.7
169.10109	1.3
171.11665	2.0
173.09593	0.6
173.13286	8.3
175.11255	0.5
175.14835	11.3
177.16388	5.8
183.11659	1.2
185.13245	1.5
187.14810	5.5
189.12804	0.6
189.16388	8.0
191.17897	2.0
195.11679	0.6
197.13284	1.0
199.14777	2.1
201.14601	0.8
201.16403	8.5
202.16878	0.7
203.17966	4.3
211.14912	0.7
213.16434	2.4
213.87985	0.5
215.17960	14.4
216.18404	0.7
217.15715	0.6
217.19402	0.9
225.16331	0.9
227.18044	0.6
229.19583	2.2
231.21072	1.8
237.07614	0.6
239.17921	1.2
241.19556	0.6
243.20999	1.1
255.08553	1.5
255.21114	1.0
257.22672	1.7
269.22696	2.6
271.24207	24.5
272.24576	1.0
273.09604	2.1
281.22366	0.9
283.24179	1.2
289.25391	2.2
295.24072	0.6
299.23404	0.5
309.11777	3.2
313.25095	0.7
313.45129	0.5
381.27777	0.8
399.28729	1.6
417.29880	2.4
486.45505	0.5
776.22375	0.5
811.45062	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05023	0.9
57.03429	0.4
57.11646	0.5
59.06121	0.6
65.57281	0.3
67.05495	1.4
69.00972	0.3
69.01368	0.4
69.03423	0.7
69.07050	0.5
69.35564	1.7
69.35974	1.0
70.02941	0.7
70.06257	0.5
70.06594	6.0
72.08167	1.7
74.00666	8.5
76.04006	13.9
79.05476	1.4
81.07071	1.8
83.05030	0.4
83.06089	1.8
84.04508	18.4
84.08136	2.9
85.02908	0.6
85.04034	13.4
86.02427	0.5
86.09711	1.7
88.03995	0.7
90.23329	0.4
91.05458	1.7
92.01138	0.7
92.01708	12.8
93.07030	1.3
95.08611	2.0
97.06519	0.8
99.05580	12.6
102.05567	0.5
105.07052	1.9
107.06075	2.5
107.08584	1.3
108.04446	0.6
109.06516	1.2
109.10175	0.8
110.07173	0.5
112.03968	7.1
113.03503	4.7
115.05492	0.3
116.07103	5.2
117.07055	0.5
119.08569	1.0
120.08113	0.7
121.06554	0.5
121.10159	0.4
123.04353	0.4
123.08064	4.0
125.05980	1.2
125.09628	1.3
127.05045	1.7
128.06248	0.7
129.06596	1.9
129.10222	1.3
130.05011	43.1
131.04526	15.1
131.08551	0.8
133.10126	0.9
135.05547	1.1
136.03909	0.5
136.07529	0.6
139.03215	0.9
140.07063	0.7
142.07660	0.4
143.08562	1.1
145.06093	11.3
145.10101	0.9
149.03810	5.9
153.06593	5.7
155.08467	1.1
158.02650	0.4
159.02226	0.5
159.08038	0.7
159.11717	0.6
160.00642	5.7
161.09604	0.8
163.21487	0.3
169.06093	0.8
169.08594	1.0
169.10057	0.8
171.08086	2.2
171.11748	0.5
173.09618	0.4
177.03297	100.0
178.01717	2.0
178.03590	1.1
179.08571	0.4
181.06108	4.1
181.10120	0.7
183.07936	0.7
183.11699	0.6
185.03812	6.5
185.09465	0.4
185.13234	0.4
186.02167	0.6
193.06105	0.4
193.10074	0.7
195.04343	4.5
195.05942	0.5
197.09566	0.4
197.13205	0.5
199.07153	3.5
203.04939	0.5
209.09598	0.6
211.11368	0.6
219.11659	0.6
223.11214	0.5
231.04361	6.1
239.17889	0.6
242.05911	0.7
243.04320	0.4
246.10449	0.5
249.05521	1.8
256.09253	1.2
263.14349	1.4
267.17435	0.7
274.10361	4.0
288.06494	15.8
289.04919	1.1
306.07553	71.7
307.07806	1.2
308.21481	0.4
324.08609	22.4
409.23618	0.7
435.24896	0.4
665.31342	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	19.2
57.03438	11.5
57.07069	4.4
61.02917	3.1
65.03944	2.6
66.40660	0.9
67.05509	73.2
69.03419	2.1
69.07076	18.3
71.04980	2.0
71.08630	1.3
71.28355	1.5
77.03902	1.0
77.96360	0.9
79.05499	45.1
81.07060	69.4
83.04996	1.8
83.08626	9.5
85.02911	2.6
85.06507	1.7
91.04913	1.3
91.05486	26.7
91.68982	1.0
93.07048	53.7
95.04989	4.5
95.08613	51.7
97.02885	2.1
97.06552	2.6
97.10181	2.5
103.05453	1.4
105.04507	1.4
105.07038	21.6
107.08592	26.2
109.06535	1.3
109.10166	23.4
111.08105	2.4
111.11723	1.2
117.07023	7.1
119.08591	19.0
121.10145	22.4
123.08131	1.5
123.11731	9.2
125.09651	1.2
129.07001	2.3
131.08589	12.0
133.10138	15.7
133.69115	1.0
135.11699	18.5
137.13249	2.0
143.08588	2.0
145.10130	10.5
147.11699	11.1
149.13260	8.3
157.10159	1.9
159.11702	10.3
161.13258	6.1
163.14795	5.2
171.11685	2.9
173.13263	7.2
175.14795	3.0
177.16399	2.2
185.13316	2.4
187.14865	3.9
189.16508	1.1
199.14961	1.9
201.16367	1.5
215.18005	1.4
241.19540	2.8
243.21037	6.0
259.20496	5.8
261.22141	19.1
263.23639	1.6
277.21497	1.1
279.23169	1.2
315.23257	1.2
317.24786	4.1
333.24304	5.2
335.25809	100.0
336.26196	2.9
337.27505	9.3
384.57761	1.0
428.73535	1.0
444.06073	1.0
521.43921	1.7
595.47229	12.6
596.47034	1.2
613.48206	8.9
703.48407	1.1
737.80988	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	17.8
56.49179	2.8
57.03432	9.7
57.07064	4.6
58.56855	2.4
60.08154	4.1
61.02894	2.8
63.40172	2.7
67.05507	61.5
69.07064	12.1
69.18037	28.2
79.05500	44.6
81.07060	55.2
83.08621	7.8
85.67531	2.7
86.09700	5.9
91.05495	25.9
93.06492	3.7
93.07054	53.5
93.96066	2.5
95.08612	48.8
97.10174	2.5
98.83108	2.7
98.98529	2.8
100.20963	2.7
105.07025	20.1
107.08614	27.7
108.08939	2.9
109.10184	22.4
117.07013	6.0
118.09826	2.6
119.08587	21.7
121.10149	18.9
123.11687	8.7
125.00030	5.5
131.08563	11.3
133.10155	15.7
135.11693	17.2
137.13292	3.2
145.10080	8.7
147.11697	10.3
149.13266	9.7
159.11728	9.4
161.13210	13.5
164.72160	3.0
171.11533	2.8
173.13284	8.2
182.07959	3.1
184.07335	21.8
185.07713	3.5
215.17938	3.8
233.18997	3.9
241.19495	3.5
243.21188	5.0
254.02077	2.9
258.50473	2.6
259.20834	6.4
261.22046	16.4
303.61050	3.1
307.22696	22.0
308.22974	8.1
309.23721	2.7
321.63828	2.7
333.24225	5.7
335.25800	100.0
336.26193	11.9
337.27029	10.2
337.65042	3.4
503.88922	3.4
567.44061	4.8
569.44714	4.4
595.46948	10.7
613.48126	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	792.5624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	3.6
55.05520	20.2
57.03426	11.6
57.07064	8.8
58.74964	2.7
59.05003	27.1
67.05144	2.7
67.05509	94.8
69.03410	9.2
69.07078	23.0
79.05493	79.4
81.03412	13.3
81.07059	100.0
83.04963	4.4
83.08617	10.1
84.08131	5.6
85.02882	8.7
89.06028	6.3
91.05473	49.4
93.06481	5.3
93.07049	81.1
93.07639	4.4
95.04971	8.1
95.08617	71.7
95.93017	3.0
97.02871	6.8
97.06512	4.7
97.10157	6.2
105.07041	36.1
107.08600	49.9
109.02863	3.1
109.06519	6.1
109.10144	35.0
111.04505	3.6
111.08065	4.7
117.07003	23.9
117.09111	3.6
119.08588	30.8
121.10149	43.8
123.11690	18.8
125.00056	3.4
129.07036	5.8
130.08624	9.5
131.08592	30.7
133.10138	25.1
135.11700	32.1
137.13251	9.1
143.08545	7.9
145.10114	20.9
147.11671	19.9
149.13255	23.1
157.10191	3.9
159.11716	18.4
161.13242	13.0
163.14816	10.8
169.10100	4.6
171.11723	6.1
173.13287	18.2
175.11232	3.2
175.14806	7.3
177.16354	5.3
183.11761	3.8
184.07310	5.1
185.13345	5.2
187.14845	13.5
197.13324	3.8
201.16319	4.5
215.17946	3.1
233.22594	4.5
238.10776	3.0
243.21046	24.2
259.20587	3.9
261.22174	75.7
277.21725	5.5
279.23315	3.1
303.23294	7.6
327.23178	4.3
335.25784	25.8
341.24854	3.1
347.25912	5.1
353.26828	13.1
369.24200	8.7
387.25253	6.1
405.26355	7.8
422.70081	3.2
489.99771	3.5
681.50726	4.8
793.49658	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	792.5321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05271	1.1
55.05516	17.3
56.61408	0.8
57.03438	1.2
57.07083	8.2
58.06595	1.2
59.05001	4.3
61.02907	1.7
67.05505	9.4
69.03426	4.2
69.07072	35.9
70.06588	1.9
71.04976	1.1
71.08621	2.4
71.50377	0.8
72.08143	0.8
73.06561	7.2
74.09715	1.0
75.16213	0.7
76.01558	1.0
76.07638	3.5
79.05494	3.0
80.25716	0.8
81.03425	2.0
81.07060	13.9
83.08161	1.0
83.08626	17.9
85.02910	11.4
85.10181	2.1
86.09689	1.4
87.04467	8.2
89.06037	100.0
91.05505	1.1
91.07616	0.9
93.07036	4.4
95.08611	13.4
97.02914	4.4
97.10178	16.7
99.04459	1.0
103.03936	1.8
103.07610	0.9
105.07018	2.7
107.07060	2.7
107.08598	3.6
109.02860	0.9
109.10178	7.7
111.11735	11.4
112.79301	0.8
114.00279	0.9
117.09131	7.7
119.08598	3.1
121.10146	3.2
123.11707	3.5
125.13242	4.2
127.03925	2.5
130.08658	1.3
131.07050	5.0
131.08548	1.0
133.08612	58.2
134.08907	0.9
135.10226	0.9
135.11650	1.2
137.13292	1.9
141.74023	0.8
145.04961	2.2
145.10051	1.1
147.11749	1.5
156.04564	0.8
159.11783	0.9
161.11789	2.3
163.06059	0.8
175.09703	1.3
177.11235	29.5
179.12564	0.9
183.26181	0.8
184.07384	1.6
187.14906	1.1
207.21077	1.2
221.13794	6.7
239.14935	0.9
265.16486	3.5
269.24741	13.0
271.24301	1.5
283.17535	3.1
291.28781	0.8
309.19104	2.5
313.27386	9.3
327.20142	2.6
357.29782	1.1
371.22748	1.1
375.31110	1.6
415.25327	10.7
419.33490	2.0
463.36224	1.6
551.41321	2.4
595.44183	30.3
596.44098	1.4
613.44879	3.3
792.54144	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.3
55.05524	10.6
56.05045	3.0
57.07079	2.8
58.99588	8.1
61.01157	2.9
61.02930	2.2
61.96331	1.6
65.03964	3.2
67.05503	17.9
68.05037	2.2
69.03439	6.1
69.07064	16.3
69.26586	15.5
70.02936	4.9
70.06597	23.5
71.04996	3.8
72.08163	5.0
74.00661	6.8
76.02226	13.2
76.04012	4.7
77.03947	2.9
79.05491	24.9
80.05023	1.8
81.03419	3.1
81.07066	39.7
83.04973	2.3
83.06107	6.4
83.08632	5.7
84.04514	18.2
84.08150	13.1
85.01140	2.3
85.02928	9.9
86.00650	3.0
86.09716	8.7
87.02759	1.4
87.04483	2.0
88.02226	26.8
91.05480	29.8
93.07053	72.3
94.06590	2.4
95.04993	6.1
95.08617	36.3
97.02895	5.3
97.06522	2.1
98.06071	2.9
99.02695	4.3
100.02197	7.1
100.11208	2.0
102.05546	2.2
103.05460	2.2
105.07041	42.6
107.08601	60.5
109.06524	4.0
109.10165	28.5
111.02687	3.6
112.03928	2.3
112.08717	1.9
113.04245	3.8
114.05558	3.0
116.01719	9.0
116.07104	3.2
117.07049	5.8
119.08596	35.0
120.08121	4.2
121.10142	26.0
123.11732	7.7
124.98308	1.9
125.04210	3.1
125.60892	1.8
126.03725	6.1
127.03894	3.2
127.05013	2.1
128.05324	4.3
128.06261	2.4
129.06674	7.4
129.10208	2.1
130.05008	11.1
130.08667	12.3
131.08566	11.3
133.10150	20.7
135.11699	41.9
140.05292	7.5
142.03242	2.8
142.06870	2.2
143.02724	2.9
143.08594	6.9
145.04999	1.7
145.06082	23.5
145.10135	21.0
147.04387	2.4
147.11691	23.7
149.13295	9.0
151.05794	2.0
153.06546	4.2
154.06874	9.9
156.08356	2.4
157.10127	7.7
159.11697	19.7
161.13300	14.2
162.02216	11.1
163.14828	3.5
165.07292	2.4
171.11691	6.6
173.13280	11.7
175.14877	8.4
177.03261	3.4
179.04955	9.9
179.08905	2.5
181.06064	4.2
185.03798	3.3
185.13321	4.4
187.14807	6.9
189.03285	4.9
189.16396	7.0
191.04848	6.2
193.35176	2.2
199.07127	2.4
199.14792	6.1
201.16373	3.8
203.17873	2.0
210.13156	2.6
213.16406	4.9
215.17984	3.6
217.19569	7.3
227.17914	5.2
231.04349	5.7
243.08052	6.9
245.09529	3.8
255.07845	2.1
257.09598	7.1
265.12256	3.3
267.21262	2.8
269.22705	20.6
274.10391	5.6
296.16486	2.3
301.19806	4.7
308.09073	5.3
313.15710	3.8
319.20819	6.0
325.15927	2.6
344.24109	9.5
362.24991	4.0
447.26797	100.0
448.26950	5.2
465.27878	25.7
483.28857	6.9
501.29486	7.9
519.28864	13.9
537.29730	5.6
555.31140	3.5
576.31085	7.0
577.30188	2.0
594.32135	11.6
612.33167	15.7
630.34424	14.6
647.72137	1.8
792.39166	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	792.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.4
55.05519	0.4
56.05027	0.4
57.03436	1.2
61.02910	0.4
63.14168	0.3
65.03939	1.3
67.05492	0.3
68.05029	1.5
69.03438	2.6
70.06593	2.6
71.04978	0.3
71.32009	0.5
73.02915	0.7
77.03911	0.4
79.05496	14.8
79.48632	0.3
79.77855	0.4
80.05015	2.4
80.05826	0.4
81.03428	3.7
81.07043	0.5
83.04987	1.4
85.02908	2.5
91.05484	8.6
95.04978	2.4
96.08147	0.6
97.02882	1.2
97.06540	1.6
98.06061	12.4
99.04460	1.8
100.07610	0.4
105.04546	0.3
107.04969	4.5
109.02882	1.0
116.07111	2.8
119.04949	21.6
124.07632	2.3
125.06002	32.2
126.06396	0.5
127.03916	1.2
131.04938	0.5
142.08641	59.1
143.07010	1.0
143.08968	0.8
147.04417	100.0
148.04770	1.7
160.09702	62.5
161.10040	0.8
165.05493	4.4
202.10783	0.8
208.61301	0.4
235.37569	0.3
260.11328	0.4
277.16550	0.4
286.12659	0.8
291.08670	3.5
304.13919	1.4
309.09711	5.9
322.14951	8.9
508.42233	0.4
574.36499	0.4
792.28333	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.4
65.03945	2.1
69.03426	1.0
70.06596	0.3
71.05004	6.0
71.49416	0.4
73.02925	0.3
73.23190	0.3
81.03412	1.2
83.04974	0.8
84.04524	0.5
85.02915	9.0
86.03222	0.3
91.05489	11.5
94.06576	1.0
95.04990	1.8
96.04501	0.4
97.02899	0.9
99.04461	0.4
109.02853	0.6
110.06032	0.3
111.04414	0.6
112.03974	4.7
112.07585	0.4
114.05524	1.4
119.04955	23.1
122.06055	1.0
123.04438	2.5
125.05966	0.4
127.03925	0.5
129.05492	2.4
131.04945	1.0
140.07085	7.5
141.05435	0.5
142.08650	0.7
145.04939	0.4
147.04422	100.0
148.04745	1.5
158.08141	5.8
160.09726	0.6
164.07121	0.4
165.05475	1.1
176.09193	11.9
176.10754	0.6
212.97758	0.3
218.10315	0.7
266.10294	0.8
291.08707	2.0
293.10223	0.6
309.09692	2.7
322.12848	0.4
338.14453	0.5
423.16873	0.3
430.15103	0.3
448.16174	0.7
466.16843	1.4
484.11435	0.2
484.18201	5.3
617.20251	0.6
637.61859	0.3
640.68707	0.3
646.24042	0.5
755.73096	0.3
792.29382	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	792.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.3
57.03448	0.8
61.02930	0.9
65.03940	1.7
68.05022	0.4
69.03433	2.8
69.96042	0.4
70.06602	0.4
71.04996	0.2
71.55061	0.1
73.02905	0.3
74.19284	0.1
75.67130	0.1
79.05064	0.2
79.05494	2.9
80.05013	0.8
81.03423	2.5
81.07056	0.3
83.04987	0.3
85.02909	7.8
85.99712	0.1
87.04464	0.2
91.03951	0.5
91.05482	10.5
95.04977	0.4
96.04426	0.1
96.08161	0.1
97.02892	2.5
97.06525	0.5
98.06055	2.3
98.97591	0.4
99.04465	0.7
107.04971	0.7
109.02885	1.6
110.05986	0.1
115.03975	0.2
116.07101	0.5
119.04946	21.7
120.05276	0.3
124.07632	0.7
125.05995	6.7
127.03932	1.8
131.04855	0.1
131.30563	0.1
140.07048	0.1
142.08641	14.5
143.00221	0.2
143.06969	0.1
143.08839	0.2
145.04964	1.7
147.04414	100.0
148.04742	1.3
154.00627	0.1
158.08214	0.1
160.09695	9.9
163.06038	0.3
165.05496	2.6
170.99733	0.1
177.00667	0.1
202.10753	0.5
204.10091	0.2
206.08162	0.2
219.01837	0.3
232.09747	0.4
237.02818	0.4
250.10759	0.7
268.11673	0.2
273.07614	0.4
285.73434	0.1
286.12854	0.3
287.05521	1.3
288.05814	0.1
288.12256	0.2
291.08640	2.8
303.05035	0.8
304.05341	0.8
304.13873	0.5
305.05569	0.6
306.05750	0.2
306.13351	0.3
309.09692	5.2
322.14966	0.5
325.05753	0.2
361.02258	0.7
414.15463	0.4
432.16409	0.6
449.10883	0.2
450.17624	1.6
468.18661	5.2
469.19080	0.2
471.14822	0.2
541.42218	0.1
630.23889	0.2
633.19855	0.3
646.25488	0.2
649.10150	0.1
774.28015	0.3
789.16510	0.1
792.29211	1.3
811.15790	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.3
55.05515	0.2
55.30676	0.1
56.05038	0.5
60.04528	0.2
65.03943	1.6
65.92536	0.1
67.05510	0.3
68.05045	0.3
68.33522	0.1
69.03427	0.7
69.07069	0.2
70.06601	2.2
71.49732	0.2
72.08154	0.7
74.06081	0.4
80.05025	0.2
81.03423	2.0
82.06587	0.2
83.04971	0.2
84.04053	0.1
84.04507	0.9
84.08147	2.9
85.02898	0.7
85.08479	0.2
86.09719	1.3
90.42846	0.1
91.05489	11.4
94.06567	0.5
95.04993	0.9
96.04523	0.3
96.18785	0.1
97.02900	0.5
98.06043	0.5
99.04445	0.2
103.05460	0.3
109.02873	1.0
110.06047	0.3
110.07182	0.3
111.04510	0.2
112.03972	1.7
112.07592	0.3
114.05518	0.7
119.04951	21.9
120.05278	0.2
120.08113	1.2
121.08401	0.2
122.06050	0.6
123.04433	1.3
125.05996	0.2
125.07183	0.1
126.05547	0.2
127.03944	0.5
129.10252	1.1
131.04933	0.2
136.07599	0.3
139.65543	0.1
140.07083	3.6
141.05420	0.2
142.08630	0.2
147.04420	100.0
148.04767	1.6
155.08147	0.2
158.08138	2.6
159.56757	0.1
160.09703	0.2
164.07166	0.3
165.05484	2.8
176.09201	5.7
218.10081	0.2
219.06596	0.2
248.09184	0.3
266.10281	0.9
273.07474	0.4
291.08679	2.8
309.09732	4.2
322.12833	0.4
430.14993	0.2
455.13306	0.6
466.17252	0.3
484.18237	1.2
591.36554	0.2
617.18378	0.2
646.23468	0.3
669.76233	0.2
753.79095	0.2
774.25964	0.2
792.27209	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.2
57.07080	32.8
59.04995	1.6
67.05511	1.7
69.03441	0.6
69.07074	4.1
69.73362	3.1
70.19292	0.5
71.04997	0.5
71.08639	28.4
73.02930	1.4
73.06174	0.8
73.06560	9.8
78.83627	0.5
79.05508	1.5
81.03435	0.6
81.07076	1.5
83.08627	3.1
85.10190	16.2
86.09750	1.1
87.04477	14.3
89.06039	100.0
91.05503	1.0
91.07619	1.2
93.07078	1.2
95.08624	0.8
97.10189	3.2
99.11734	3.4
107.07099	1.8
107.08630	0.8
109.10140	0.8
111.11750	2.5
113.13299	2.0
117.09147	9.2
119.08619	0.6
121.10224	0.6
125.00043	1.3
125.13276	1.8
127.14875	1.5
130.08676	2.3
131.07024	3.5
133.08615	49.4
135.10207	1.3
141.16365	0.6
157.19936	0.5
161.06044	1.0
161.11803	2.1
175.09692	2.9
177.11235	19.2
183.21162	2.7
184.07321	3.6
219.12311	0.9
220.92130	0.5
221.13855	4.4
223.15515	0.6
227.23775	2.6
265.16547	0.8
271.26309	5.1
277.65677	0.4
283.17502	1.3
306.38235	0.5
307.22708	0.8
309.19370	0.7
315.28964	3.4
327.20355	0.6
336.26462	0.5
353.21832	0.6
695.09912	0.5
773.56366	1.4
790.58728	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	792.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.3
55.05515	0.2
55.30676	0.1
56.05038	0.5
60.04528	0.2
65.03943	1.6
65.92536	0.1
67.05510	0.3
68.05045	0.3
68.33522	0.1
69.03427	0.7
69.07069	0.2
70.06601	2.2
71.49732	0.2
72.08154	0.7
74.06081	0.4
80.05025	0.2
81.03423	2.0
82.06587	0.2
83.04971	0.2
84.04053	0.1
84.04507	0.9
84.08147	2.9
85.02898	0.7
85.08479	0.2
86.09719	1.3
90.42846	0.1
91.05489	11.4
94.06567	0.5
95.04993	0.9
96.04523	0.3
96.18785	0.1
97.02900	0.5
98.06043	0.5
99.04445	0.2
103.05460	0.3
109.02873	1.0
110.06047	0.3
110.07182	0.3
111.04510	0.2
112.03972	1.7
112.07592	0.3
114.05518	0.7
119.04951	21.9
120.05278	0.2
120.08113	1.2
121.08401	0.2
122.06050	0.6
123.04433	1.3
125.05996	0.2
125.07183	0.1
126.05547	0.2
127.03944	0.5
129.10252	1.1
131.04933	0.2
136.07599	0.3
139.65543	0.1
140.07083	3.6
141.05420	0.2
142.08630	0.2
147.04420	100.0
148.04767	1.6
155.08147	0.2
158.08138	2.6
159.56757	0.1
160.09703	0.2
164.07166	0.3
165.05484	2.8
176.09201	5.7
218.10081	0.2
219.06596	0.2
248.09184	0.3
266.10281	0.9
273.07474	0.4
291.08679	2.8
309.09732	4.2
322.12833	0.4
430.14993	0.2
455.13306	0.6
466.17252	0.3
484.18237	1.2
591.36554	0.2
617.18378	0.2
646.23468	0.3
669.76233	0.2
753.79095	0.2
774.25964	0.2
792.27209	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.2
55.70342	0.1
56.05039	0.9
57.03442	0.1
57.07090	0.1
58.06631	0.4
59.05005	0.1
59.07396	0.1
60.08166	7.0
67.05500	0.4
69.07074	0.2
69.78681	0.2
69.79092	0.3
70.06606	0.2
71.04977	0.1
71.07375	4.3
71.08629	0.1
77.96800	0.1
79.05506	0.3
81.07063	0.1
83.08640	0.1
86.09709	32.8
87.10044	0.3
90.48611	0.1
91.05499	0.1
93.07048	0.2
95.08604	0.4
97.10191	0.1
98.98466	4.2
99.83167	0.1
104.10751	3.2
105.06997	0.1
107.08630	0.1
125.00011	23.3
136.06183	0.2
143.01060	0.1
166.02725	0.1
184.07346	100.0
185.07704	1.0
234.13336	0.1
297.54715	0.1
496.33575	0.2
534.31287	0.2
618.44153	0.1
650.43231	0.1
690.46960	1.1
754.53656	0.2
772.54883	1.0
790.55914	2.7
791.54913	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	790.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	7.1
60.08168	8.9
61.55410	5.9
62.72438	4.9
64.05503	5.1
67.05495	27.8
69.07062	6.8
69.16379	15.4
69.16794	33.2
73.89436	4.7
79.05502	27.8
81.07067	37.2
83.08652	6.1
85.06565	7.2
86.09726	22.8
91.05503	12.6
93.07047	27.0
95.08598	28.9
97.74949	5.0
103.87815	5.2
105.07040	13.7
107.08592	21.4
108.22012	5.0
109.10151	14.6
119.08611	8.0
121.10137	23.3
122.58924	4.7
123.11695	11.8
125.00000	16.2
131.08600	12.3
133.10139	11.0
135.11703	22.0
140.51144	4.8
145.10159	7.2
146.21567	4.9
147.11717	17.2
149.13254	11.6
157.08966	5.1
159.11717	7.6
161.13257	8.9
173.13251	10.6
184.07356	100.0
213.16357	5.7
215.17961	24.2
231.17532	6.8
233.19112	14.2
261.22186	12.5
266.10941	5.1
300.17859	4.6
307.22656	91.8
309.24265	5.5
335.25809	86.6
337.27301	7.5
422.77853	5.0
424.34219	4.8
432.62573	5.2
439.40958	4.8
505.08499	6.0
567.43854	18.5
585.44806	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2085
Annotation	Quercetin 3-glucosyl-(1->2)-galactosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
55.01857	0.2
57.03421	0.6
61.02930	4.8
65.03928	0.2
68.99791	0.6
69.03437	1.6
69.42679	0.2
69.42956	0.6
69.43359	0.8
71.04983	0.2
73.02920	1.4
74.01926	0.2
78.26197	0.2
81.03408	0.7
84.61591	0.2
85.02908	7.7
91.03961	3.1
92.84798	0.2
97.02898	3.1
99.04456	0.5
109.02859	0.7
111.00823	0.8
115.03894	0.2
121.02883	0.9
127.03917	1.9
137.02353	3.0
145.04971	1.9
149.02344	0.5
153.01823	3.0
161.05963	0.3
163.03867	0.4
163.05998	0.9
165.01865	1.7
169.10930	0.2
173.05997	0.2
183.02887	0.6
187.03906	0.3
195.02979	0.3
201.05513	1.2
213.05444	0.2
219.02916	0.2
219.06503	0.2
225.68719	0.2
229.04976	3.0
247.06047	0.6
257.04474	2.5
274.04727	0.9
275.05536	0.2
285.04010	1.1
303.05002	100.0
304.05365	2.6
315.04974	0.5
327.04636	0.2
341.06888	0.2
345.06226	0.9
369.06024	0.5
403.41919	0.2
465.10330	13.6
466.10736	0.6
466.18622	0.2
684.26031	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	14.6
57.03436	11.3
57.07079	5.1
59.05009	31.7
60.08165	8.2
67.05511	29.1
69.07074	10.4
70.07882	6.9
71.07362	4.9
71.08626	2.1
79.05505	22.7
81.07069	32.0
82.07372	1.6
83.05006	2.9
83.08629	6.9
85.06544	2.7
86.09718	40.9
87.04482	2.2
87.10047	2.7
89.06042	6.6
91.04973	2.8
91.05492	26.1
93.07057	28.1
95.04959	4.3
95.08620	16.9
97.06532	3.1
97.10201	3.6
98.98454	5.2
99.08085	2.1
104.10736	4.9
105.07047	20.2
107.04963	3.6
107.08607	15.8
109.06505	4.0
109.10175	8.4
116.07072	1.6
117.07023	8.9
117.09132	7.3
119.08591	14.4
121.06493	3.7
121.10171	11.9
121.85231	1.4
123.11729	3.7
125.00024	27.7
129.07011	2.7
131.08582	12.7
133.08609	2.1
133.10146	9.9
135.11693	5.7
136.06218	2.3
137.09659	2.5
145.10147	7.4
147.11670	4.8
149.09633	3.6
149.13226	3.6
157.10072	1.7
159.11694	6.2
173.13257	2.8
177.11111	2.1
184.07356	100.0
185.07791	4.3
185.13234	2.7
201.16385	1.8
203.14328	1.8
211.43004	1.7
219.17467	72.1
220.34309	1.9
221.97557	1.6
257.19012	1.8
275.20078	15.9
303.61047	2.1
311.25790	2.3
335.25827	38.0
336.26096	2.1
342.13046	1.8
349.23550	9.7
529.22144	1.7
599.42352	3.3
609.45190	56.1
610.45453	2.9
617.44458	3.7
699.39319	1.8
789.52893	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	789.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
56.54139	0.2
57.03422	0.6
58.19546	0.2
61.02924	1.2
64.90739	0.1
65.03921	0.2
65.89140	0.1
68.99796	0.5
69.03439	2.5
71.04984	0.4
71.06430	0.3
71.61584	0.1
73.02908	0.2
81.03418	1.1
85.02914	8.9
91.03945	0.4
93.03385	0.3
97.02906	2.7
99.04483	0.4
109.02883	1.2
111.00814	0.9
113.59178	0.1
115.03905	0.2
121.02860	0.7
123.04485	0.2
127.03926	1.6
137.01360	0.3
137.02351	3.0
137.03368	0.1
145.04990	1.8
149.02371	0.5
153.01834	2.9
161.05969	0.3
163.03922	0.3
163.06046	0.4
165.01849	1.6
166.02652	0.4
173.05992	0.3
183.02907	0.7
183.04390	0.2
187.03998	0.2
191.03342	0.2
195.02911	0.3
201.05525	1.1
207.02878	0.2
229.04993	3.6
247.06062	0.6
257.04456	2.6
271.51834	0.2
274.04742	0.6
275.05481	0.2
285.03998	1.2
303.05011	100.0
304.05298	2.7
345.05936	0.5
412.40536	0.2
465.10355	13.7
466.10635	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5441
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	0.9
58.06359	0.2
58.06643	0.6
59.05006	0.7
60.08170	5.8
64.70367	0.2
67.05509	0.3
69.07073	0.2
69.18115	1.9
69.72341	0.2
70.06585	0.2
71.07377	4.0
75.11428	0.2
77.42268	0.2
79.05515	0.2
81.07068	0.3
86.09713	30.4
89.06031	0.5
95.08621	0.4
98.20702	0.4
98.98471	3.7
104.10752	2.7
107.08603	0.2
125.00015	20.7
136.06197	2.4
137.85028	0.2
143.01080	0.3
155.32904	0.2
175.13460	0.2
184.07355	100.0
185.07704	0.8
234.13490	0.4
272.61597	0.2
287.56720	0.2
323.09149	0.2
429.44382	0.2
457.36938	0.2
650.43494	0.2
669.28333	0.3
690.46210	0.5
714.25916	0.2
730.49908	0.4
770.52631	0.6
788.54089	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	788.5735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	3.1
57.07078	29.3
58.07430	0.4
59.05006	11.3
60.08170	4.6
60.14317	0.4
63.18361	0.4
67.05507	1.1
69.03430	0.6
69.07076	4.6
70.75050	0.6
70.75409	1.1
71.07368	2.3
71.08634	29.9
73.02911	1.6
73.06557	9.5
77.06036	0.8
79.05484	0.4
81.07047	0.9
83.08622	4.8
85.10190	17.2
86.09710	19.9
87.04474	19.2
87.04888	0.4
89.06036	50.4
91.07619	0.6
95.08572	0.4
97.10184	5.7
98.98474	2.3
99.11741	2.9
103.03947	100.0
103.07582	6.6
104.04312	0.7
104.10757	2.3
107.07075	2.0
109.45956	0.4
111.11711	3.1
113.06004	1.2
113.13290	1.5
115.07558	0.6
117.09138	9.9
119.07069	1.5
121.05031	0.8
121.08630	1.6
125.00007	14.6
125.13268	1.9
127.14827	1.0
130.08615	0.9
131.07059	4.4
133.08609	18.5
135.10132	1.0
136.06133	0.6
139.14691	0.5
141.16414	1.3
144.06538	1.0
147.06529	11.4
147.10173	1.7
155.17940	0.9
161.11746	1.8
163.09694	2.4
169.19565	0.6
175.09659	2.0
177.11244	8.2
183.49734	0.4
184.07349	63.6
185.07622	0.7
191.09157	6.5
207.12294	3.7
208.26768	0.4
211.24269	1.6
219.12212	0.5
221.13754	2.0
235.11815	5.5
251.14999	0.6
255.26852	2.0
265.16525	0.5
279.14404	1.4
283.17551	0.8
292.18036	0.4
299.29422	5.7
313.80258	0.4
323.17093	1.0
343.32150	3.1
343.44849	0.6
367.19757	0.6
411.21729	0.6
480.69031	0.5
520.21173	0.5
535.09863	0.4
561.30640	0.6
599.56329	0.5
770.52502	0.9
771.54138	0.9
788.57147	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	785.4601
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	4.6
70.69178	7.7
71.09322	2.5
86.09711	7.3
87.45283	2.5
125.00055	6.5
184.07335	23.5
184.08508	2.1
185.07834	4.9
208.32536	2.4
227.90282	2.6
358.44864	2.6
785.46112	100.0
786.46588	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	785.4812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.5
55.05515	1.5
57.03432	2.2
59.05008	4.7
60.08175	1.0
61.02932	5.9
65.03962	0.7
66.23406	0.4
67.05506	5.6
68.51547	0.6
69.03440	3.6
69.07066	1.2
71.01376	0.8
71.51525	0.9
73.02921	4.8
79.05494	6.0
79.28320	0.4
81.03440	2.0
81.07062	6.2
83.08612	0.6
85.02912	6.9
86.09718	4.2
87.04491	0.9
91.03970	3.5
91.05498	3.3
93.07051	5.9
95.08605	3.3
97.02898	5.6
97.06547	0.5
99.04465	1.1
101.02404	1.5
103.03943	0.6
105.07045	2.7
107.08608	2.3
109.02892	0.5
109.10184	1.7
117.07072	0.8
117.09173	1.1
119.08625	1.5
121.10187	2.0
125.00017	3.4
127.03949	1.8
131.08614	0.8
132.19817	0.4
133.08669	0.5
133.10126	1.1
135.11705	1.0
145.10231	1.0
147.11633	0.6
152.90334	0.5
184.07353	12.5
185.04272	0.5
185.07759	1.9
186.07858	1.2
243.08492	2.0
307.22775	0.7
317.21030	1.1
327.29022	0.5
392.39185	0.5
491.26132	9.8
535.28455	2.7
785.48108	100.0
786.48590	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	786.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.2
55.05269	0.3
55.05515	4.7
56.05044	0.3
57.03439	2.1
57.07058	0.5
60.04525	0.5
60.09553	0.2
61.02913	0.2
65.03948	1.4
67.05511	9.5
68.04726	0.3
68.05033	3.4
69.03432	8.0
69.07071	4.2
69.96226	0.8
70.06602	3.2
71.01366	0.2
71.05003	1.1
73.02892	0.5
75.04480	0.5
77.03928	0.7
78.04131	0.2
78.04663	0.3
79.05499	30.1
80.05020	6.5
80.05785	0.3
81.03423	10.8
81.07062	28.4
82.06569	0.5
83.04990	3.0
83.08614	1.2
84.04492	0.8
85.02916	3.9
85.03388	0.5
85.06540	0.5
87.04488	0.4
91.05487	10.9
92.05808	0.2
93.07050	26.1
94.06572	0.5
95.04366	0.4
95.04977	7.3
95.08614	15.5
96.04495	0.5
96.08136	1.1
97.02894	2.8
97.06532	5.0
97.10168	1.0
98.06062	21.3
98.21407	0.4
99.04458	3.0
100.07600	0.6
103.03932	0.4
103.05458	0.8
105.04546	1.1
105.07036	21.8
106.06604	0.3
107.04223	0.3
107.04961	6.9
107.08604	18.3
108.04501	0.5
109.02898	3.0
109.05271	0.3
109.06533	2.0
109.10162	10.1
110.06039	0.5
111.04439	1.3
111.08087	1.1
111.11727	0.3
113.05978	0.2
115.05457	0.7
116.06308	0.4
116.07101	3.3
117.05553	0.3
117.07024	3.6
119.04967	0.3
119.08590	27.5
120.08130	0.3
121.06503	2.8
121.10152	20.6
122.06032	0.4
122.10491	0.3
123.04425	0.8
123.08084	2.4
123.11706	2.6
124.07600	6.2
125.05999	41.3
125.09641	1.0
126.05515	0.6
126.06339	0.5
126.09147	1.0
127.03938	1.3
128.06232	0.8
129.05539	0.5
129.07005	1.4
130.07779	0.8
131.08586	7.4
132.08142	0.3
133.06520	0.4
133.10138	9.9
134.05969	0.2
135.08061	2.9
135.11700	6.8
136.04036	0.3
136.07565	0.3
137.09615	1.1
137.13206	0.4
137.77670	0.2
138.05510	0.2
138.09218	0.4
139.07686	0.3
140.07051	1.4
141.06996	0.9
142.08644	100.0
143.07071	0.9
143.08600	3.4
144.09315	1.0
145.04980	0.4
145.06366	0.3
145.10132	9.6
146.10825	0.3
147.08047	0.9
147.11703	8.2
148.07596	0.6
149.09598	2.5
149.13266	5.8
149.14388	0.5
151.11182	0.7
152.07048	0.3
153.09157	0.3
154.08603	0.3
155.08536	1.4
156.09367	0.8
157.10135	4.2
158.10902	0.5
159.08067	0.8
159.11705	10.2
160.09702	54.9
161.09642	1.8
161.13258	6.6
163.11215	1.5
163.14835	3.2
165.07104	0.3
165.09096	0.3
165.12816	0.3
167.08539	0.3
167.10658	0.4
169.10118	2.6
170.10909	0.5
171.08075	0.3
171.11694	3.1
173.09598	1.2
173.13261	4.7
174.10466	0.3
175.11185	2.1
175.14845	3.1
177.09196	0.4
177.12779	0.6
178.08638	0.7
179.08551	0.3
179.10674	0.3
181.08614	0.3
181.10167	0.6
182.10915	0.6
183.06209	0.2
183.08098	0.3
183.11743	2.2
184.09727	0.8
185.09668	0.4
185.13283	2.7
187.11238	1.2
187.14839	4.1
189.12772	1.5
189.16386	3.1
190.08644	0.4
191.14339	0.5
195.11714	0.8
197.09700	0.4
197.13234	2.0
199.11276	0.3
199.14899	1.5
201.12814	0.6
201.16368	2.3
202.10788	1.1
203.14267	1.2
203.17830	1.3
204.10312	0.5
205.15887	0.5
206.08145	0.8
209.13324	0.9
211.14853	2.3
213.07599	0.4
213.12787	0.7
213.16389	1.4
215.14368	0.9
215.17978	0.7
217.15881	1.2
222.11296	0.3
223.14880	0.6
225.12802	0.3
225.16322	1.2
227.14366	0.7
227.17976	1.5
229.12253	0.3
229.15912	0.9
229.19493	1.7
231.13786	0.4
232.09709	2.0
233.15608	0.3
237.16429	0.4
239.09229	0.4
239.14302	0.3
239.17950	0.4
241.15822	0.4
241.19542	0.3
243.21190	0.5
250.10745	2.4
251.17946	0.3
253.19560	0.4
255.14021	0.3
255.21086	0.5
257.18759	0.3
257.22690	2.9
265.19440	0.5
267.21078	2.2
267.23352	0.3
268.11722	0.3
271.20517	0.5
281.18976	0.4
281.22495	0.3
283.20609	0.8
285.22122	4.6
293.13828	0.5
297.22092	0.4
301.21622	0.5
303.23190	0.4
304.13950	0.6
322.15045	0.4
327.23260	0.5
339.23227	0.3
347.23630	0.3
365.24915	0.3
375.23242	0.7
393.24100	1.3
411.25281	2.1
419.28137	0.4
426.30237	0.5
429.26529	3.3
447.27481	3.9
520.29572	0.3
538.30096	2.7
544.32837	0.3
552.33405	1.4
570.34332	1.7
588.35394	10.0
589.36127	0.7
606.36414	46.3
607.36810	2.3
624.37555	0.9
754.23291	0.3
768.41193	1.0
786.42542	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.6
56.05036	0.4
57.03440	0.3
58.98821	0.3
59.04999	0.8
60.04518	0.4
67.05508	0.3
68.54810	0.2
69.03437	1.0
70.06598	5.4
71.03316	0.8
71.04990	0.6
72.08164	2.5
73.02917	1.8
73.06563	2.4
74.06064	0.6
81.03442	0.4
81.07056	0.4
83.06126	0.3
84.04521	1.8
84.08153	3.3
85.02898	0.8
85.08498	0.4
86.09717	2.9
87.04474	18.9
88.04811	0.4
89.06036	100.0
90.06345	0.6
90.15577	0.2
91.07601	0.6
93.07043	0.4
95.04974	0.7
95.06096	0.3
97.02888	0.5
97.06567	0.5
98.06013	0.3
102.05589	0.4
104.04507	0.2
105.07034	0.4
107.07089	2.0
107.08547	0.4
110.07175	0.6
110.09670	0.3
113.06031	0.8
115.07618	0.6
115.08639	0.3
117.09132	2.0
119.08597	0.3
120.08127	2.2
121.10144	0.3
129.10246	1.5
130.08646	0.9
131.07059	6.2
131.52812	0.4
133.08611	59.9
134.08925	0.3
135.10139	0.5
136.06151	0.4
136.07570	0.5
137.05942	0.3
141.10286	0.4
142.08575	0.3
147.04451	0.6
155.08240	0.3
155.11800	0.3
157.08640	0.4
159.10179	0.8
161.11746	0.7
161.13036	0.3
163.03986	0.3
175.09685	4.2
177.11232	21.1
219.12283	1.7
221.13811	3.6
223.15396	0.4
226.34248	0.3
239.14951	0.4
265.16458	0.9
283.17493	0.9
309.19150	0.6
327.20139	0.5
353.21542	0.7
391.28848	0.3
393.39777	0.3
441.26971	0.3
447.00998	0.3
485.29639	0.4
629.47394	0.3
723.43439	0.3
767.45447	0.9
784.49146	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.5536
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	1.2
58.06365	0.2
58.06632	0.5
59.05001	0.1
59.07399	0.2
59.07792	0.1
60.08166	7.2
64.58086	0.1
67.05501	0.4
70.06600	0.2
71.07375	4.6
71.15658	0.3
81.07073	0.3
86.09708	37.6
87.10006	0.3
91.45941	0.1
93.07080	0.2
98.98467	4.8
104.10748	2.6
125.00008	27.5
143.01059	0.2
184.07346	100.0
184.90833	0.1
185.07669	0.9
191.97925	0.1
201.04451	0.1
424.77026	0.1
582.25641	0.1
738.80139	0.1
749.62354	0.1
780.55396	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	783.4659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.6
55.05523	1.4
55.05730	0.3
56.05023	1.0
57.03444	2.2
57.07063	0.4
58.06587	0.5
59.04983	1.3
59.15804	0.3
60.08172	7.2
60.36825	0.3
60.58089	0.3
61.02931	3.4
61.08492	0.3
67.05515	3.8
69.03445	2.4
69.07056	1.0
70.72346	0.3
70.90620	0.5
70.90953	0.4
71.07377	4.6
71.08610	0.4
72.07696	0.5
73.02927	3.0
73.69948	0.3
75.77887	0.3
79.05504	3.5
81.03400	1.1
81.06658	0.3
81.07069	3.6
83.08595	0.7
85.02917	2.8
85.06509	0.3
86.09714	33.0
87.09510	0.5
87.10030	3.3
91.03960	1.6
91.05499	3.3
93.07047	3.5
95.04955	0.5
95.08608	3.0
97.02898	3.1
98.98460	4.4
99.04448	0.4
99.08105	0.5
100.76739	0.3
101.02403	1.5
103.03933	0.3
104.10755	2.6
105.07043	1.6
107.04985	0.4
107.08608	1.9
109.02872	0.7
109.06504	0.6
109.10137	1.2
117.07018	0.8
117.51944	0.3
119.08582	1.2
121.10114	1.3
121.32005	0.3
125.00018	25.5
126.00347	1.0
127.03880	1.1
129.06982	0.6
131.08551	1.2
133.10130	0.8
135.08096	1.5
135.11688	0.8
135.35049	0.3
145.10098	1.0
147.11688	0.4
149.09624	0.4
157.10127	0.6
159.11807	0.4
173.13271	0.7
175.11192	0.6
179.21336	0.3
184.07356	100.0
185.04221	0.4
185.07710	11.3
186.07851	0.6
191.14316	1.0
196.54747	0.3
243.08449	1.8
249.00752	0.3
259.85855	0.4
287.16281	1.4
307.48141	0.3
313.27499	0.5
314.28012	0.4
315.19336	0.8
396.76639	0.3
491.26443	0.9
505.24176	4.0
519.29364	2.6
522.38806	0.4
533.27429	0.6
783.46527	72.3
784.46869	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	780.5253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.7
55.05499	2.9
56.05014	1.1
57.03424	2.0
58.06612	0.9
59.04990	2.8
60.08165	7.1
67.05512	9.3
69.07063	2.5
69.23837	1.3
69.24242	5.5
70.06599	6.8
71.07378	3.9
72.74554	0.7
79.05498	8.8
80.90479	0.6
81.03431	0.8
81.07057	7.9
82.66502	0.6
83.08614	1.6
86.09712	29.3
88.10676	0.7
91.05484	6.3
93.07047	11.4
95.04980	1.0
95.08624	5.0
97.02881	0.8
98.21444	1.5
98.98483	4.3
99.08152	0.7
104.10738	2.1
105.07035	8.5
107.08573	4.9
109.10162	2.4
116.07108	6.4
117.07000	2.1
119.08591	6.1
121.10171	5.7
122.42812	0.7
123.11706	0.7
123.86295	0.6
125.00011	21.9
129.06985	1.2
131.08614	4.3
133.10132	6.7
135.11682	2.8
143.08557	0.9
145.10123	3.2
147.11720	3.6
157.10088	1.0
159.11688	1.9
161.13255	2.4
163.11305	0.9
169.09976	0.7
171.11700	1.3
173.13283	1.1
175.14775	0.8
184.07353	100.0
185.07713	1.5
185.13339	0.9
213.16377	1.3
215.17970	1.8
231.17470	1.5
241.19498	1.4
243.20999	0.7
257.19064	1.0
259.20615	4.3
283.15881	0.7
307.22708	7.0
333.24200	3.8
335.25833	1.4
388.29312	0.8
417.64191	0.8
583.43420	4.2
780.54755	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	780.5252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.2
55.05516	21.2
57.03441	20.7
57.07064	2.4
59.05014	1.7
60.08162	5.8
61.02916	3.8
65.03945	3.0
67.05511	63.2
67.50475	1.1
69.03439	2.9
69.07075	18.2
71.04990	3.8
71.07367	3.0
71.15746	1.8
73.02903	1.4
79.05499	59.7
81.03416	1.8
81.07063	62.0
83.04971	3.9
83.08628	10.2
85.02896	4.3
85.06536	4.3
86.09229	2.4
86.09711	29.8
91.04913	1.9
91.05487	43.5
93.07050	56.5
93.07646	2.7
95.04959	5.7
95.08614	49.2
97.02849	1.2
97.06528	6.5
97.10156	4.2
98.98470	3.9
99.08097	4.9
105.04527	1.6
105.07040	37.2
107.04959	1.7
107.08601	27.1
109.06506	5.2
109.10168	16.7
111.08079	3.9
115.05485	1.3
116.06211	1.6
117.07020	13.4
119.08591	26.7
121.10157	26.5
123.08075	3.7
123.11705	4.4
125.00018	19.4
125.09636	3.7
127.03925	1.8
129.07002	7.3
131.08575	19.5
133.10150	32.5
135.08051	2.6
135.11702	14.3
137.09604	3.9
139.11185	2.3
140.41330	1.1
141.06961	1.8
143.08601	6.3
145.10135	16.9
147.11710	21.1
149.09590	2.8
149.13251	8.5
151.11200	3.6
155.08546	2.7
157.10143	9.3
159.11690	15.5
161.13251	7.3
163.11169	3.1
163.14764	3.0
165.12755	3.0
169.10071	2.0
171.11696	8.7
173.13219	9.0
175.11275	1.3
175.14816	5.5
177.12758	2.5
183.11694	1.9
184.07358	100.0
185.07707	1.4
185.13275	4.8
187.14845	2.9
189.16440	1.9
193.15968	2.9
199.14818	2.0
203.17950	3.0
213.16414	12.8
215.17998	4.0
215.24768	1.4
231.17488	13.5
233.18987	3.3
241.19566	2.5
249.18553	8.0
259.20572	5.6
261.22180	4.1
277.21603	8.8
305.21133	4.6
307.22687	43.9
316.80640	1.5
317.24548	1.4
323.22208	20.6
333.24118	2.2
335.25858	47.5
351.25381	12.9
461.32852	1.8
493.96487	1.5
501.35556	2.3
565.41559	1.7
583.43634	31.8
717.48309	1.4
764.97473	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	780.5256
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71442	1.1
55.01870	2.5
55.05516	21.9
56.46191	1.1
57.03195	1.5
57.03443	17.4
57.07077	1.9
60.08147	4.1
61.02920	3.8
65.03943	4.5
67.05510	64.2
68.29008	1.1
69.03420	1.7
69.07083	13.0
69.17562	10.8
71.04984	2.2
71.07371	3.2
73.35860	1.1
79.05502	63.8
79.05972	3.0
81.03426	3.0
81.07066	59.2
83.04955	2.9
83.08633	9.6
85.02893	3.7
85.06535	3.9
86.09213	2.2
86.09715	25.6
89.99329	1.4
91.05492	39.4
93.07053	67.5
93.16013	1.0
95.04973	4.8
95.08612	45.7
97.02869	2.1
97.06526	5.4
97.10162	4.2
98.98460	2.9
99.08078	4.4
103.44458	1.1
104.10780	1.5
105.04494	3.5
105.07040	32.5
107.08600	27.4
109.06549	2.7
109.10162	20.2
111.08080	2.7
117.07041	13.6
119.08590	26.7
121.09338	2.4
121.10157	34.2
122.58516	1.3
123.08079	3.6
123.11726	5.4
125.00028	13.9
125.09615	2.7
129.05511	1.4
129.07013	4.9
131.08597	19.0
133.10144	26.2
135.11705	18.4
137.09621	1.4
138.44783	1.2
142.07767	1.4
143.08565	5.4
145.10118	15.9
147.11694	16.5
149.09648	2.7
149.13240	9.5
151.11142	1.8
157.10077	5.8
159.11725	11.4
161.13232	9.1
163.11185	1.8
163.14803	1.3
169.10100	1.6
171.11667	5.9
173.13266	7.1
175.11203	1.4
175.14905	3.8
177.12817	2.4
184.07356	75.7
185.07684	1.6
185.13254	2.9
187.14819	5.5
199.14789	4.0
205.15823	1.9
209.19971	1.2
213.16351	3.3
215.18015	7.9
221.19052	1.8
231.17346	3.1
233.19017	3.5
241.19577	3.9
246.21597	1.3
257.19077	2.0
257.99686	1.1
259.20560	12.9
277.21655	12.7
293.21100	1.8
305.21106	1.5
307.22702	100.0
308.23016	2.9
309.24258	2.0
333.24274	13.0
335.25995	1.3
351.25281	24.7
352.25659	1.4
501.35641	2.3
583.43646	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	780.5249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	5.4
57.03424	3.2
60.08170	6.5
61.02942	0.8
65.03929	0.8
65.43383	0.7
67.05186	1.0
67.05512	12.6
68.05834	0.7
69.07079	3.7
70.06583	1.2
71.04979	1.0
71.07364	2.9
71.24837	0.8
71.50836	0.8
79.05074	1.1
79.05501	15.9
79.05937	0.6
81.06604	0.8
81.07066	12.6
83.08598	1.9
86.09712	29.5
87.09983	0.8
91.05492	10.8
93.04858	0.6
93.07052	12.7
95.04957	2.0
95.08625	9.0
98.98479	3.7
99.08084	1.1
104.10767	1.2
105.07041	11.6
107.08608	6.6
109.10155	3.9
116.07049	2.3
117.07002	3.5
119.08582	7.4
121.10141	8.2
123.11716	1.1
125.00015	21.6
129.07013	1.6
131.08568	5.2
133.10138	7.4
135.11661	3.8
143.08578	1.9
145.10136	5.4
145.61987	0.7
147.11700	6.6
149.13266	2.2
157.10072	1.8
159.11700	3.2
161.13278	2.3
163.14746	1.2
171.11720	2.2
173.13264	2.2
175.14801	1.5
184.07356	100.0
185.07716	2.8
185.13263	2.2
186.07744	1.2
199.15031	1.0
199.61055	0.9
213.16362	2.1
215.17964	2.1
231.17479	2.0
233.19038	1.0
241.19536	2.5
259.20596	5.5
305.21011	1.0
307.22668	10.9
333.24280	5.3
335.26065	1.2
429.20746	4.5
443.22528	1.5
444.22830	1.4
459.21701	1.6
460.21692	1.2
472.22858	1.9
475.23117	0.9
476.24289	0.9
485.23361	2.4
486.24457	1.1
517.26019	1.4
545.25537	18.4
546.25635	1.8
573.24536	3.7
583.43591	4.8
605.27576	26.3
606.27911	2.3
621.29291	0.9
697.32996	0.8
780.54175	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.5246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.4
56.05029	1.1
56.28205	0.4
57.03436	1.9
57.07070	1.2
59.05007	2.5
60.07890	0.5
60.08166	6.4
65.03930	0.6
67.05181	0.6
67.05509	9.2
68.05853	0.5
69.03399	0.5
69.07077	3.1
70.06575	1.1
70.63403	0.6
70.63726	0.4
71.04994	0.6
71.07377	4.2
71.08627	0.5
73.08706	0.4
79.05499	7.7
81.07062	8.0
83.04988	0.6
83.08643	1.1
85.06540	0.9
85.10168	0.5
86.09711	33.6
87.56888	0.4
89.06025	0.4
91.05486	10.7
92.05828	0.7
92.43476	0.4
93.07049	8.4
93.46264	0.4
95.04969	0.7
95.08079	0.5
95.08620	6.8
97.06521	0.6
97.10147	0.5
98.98463	4.0
99.08058	0.5
104.10750	2.7
105.04482	0.4
105.07043	8.6
106.07282	0.4
107.04971	0.8
107.08586	3.9
109.06515	0.5
109.10177	2.7
112.82743	0.5
112.99966	0.4
115.05429	0.5
116.07089	1.3
117.07016	2.9
117.09089	0.5
119.08584	6.7
121.06524	0.4
121.10152	3.4
123.08057	0.8
123.11700	0.8
125.00016	24.3
129.07007	2.7
130.07764	0.5
131.08586	3.1
133.10138	7.7
135.08075	0.9
135.11682	2.6
137.09659	0.5
142.07805	0.5
143.08539	1.9
145.10114	3.3
147.11707	7.1
149.09607	1.0
149.13295	0.7
155.08527	0.5
156.09406	0.5
157.10115	1.9
159.11751	2.3
161.13255	1.7
163.11205	0.6
165.12744	0.5
168.55074	0.4
169.02588	0.5
171.11719	4.1
173.13258	0.7
175.14853	0.4
184.07353	100.0
185.07712	1.0
185.13239	1.0
187.11279	0.5
187.14798	0.5
191.14311	0.6
192.14621	0.6
199.14894	0.4
203.18011	1.7
213.16386	5.0
215.17963	0.8
229.15894	0.6
231.17422	5.4
233.19000	0.7
250.83592	0.4
261.22174	0.6
305.21130	2.4
307.22705	0.8
308.22998	0.5
309.24014	0.6
333.24161	0.6
335.25797	5.0
337.27026	0.4
388.93558	0.5
427.22556	0.5
436.07214	0.5
565.41571	0.4
582.42004	0.9
583.43280	4.0
668.54004	0.6
780.54462	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	780.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.6
57.03437	4.1
61.02921	7.1
67.05506	19.7
68.89920	1.6
69.03423	5.8
69.07072	2.9
70.06598	2.8
71.50790	2.8
73.02924	2.7
75.05208	1.4
79.05498	27.1
81.07067	16.3
82.06608	8.0
83.08588	1.9
84.04515	8.2
85.02897	4.4
86.06075	25.2
86.09731	8.2
87.04489	3.6
91.05485	16.3
93.07049	25.0
95.04982	3.3
95.08633	10.7
97.02882	4.1
97.06512	1.8
98.06065	8.3
105.07027	5.4
107.08607	8.3
108.08104	2.8
109.06459	1.8
109.10143	3.1
110.06060	21.4
117.07023	7.4
119.08579	3.4
121.10156	9.2
122.09657	2.1
124.07607	3.2
124.99994	3.9
131.08577	6.1
134.05968	1.6
135.11690	7.5
135.78534	1.5
138.09123	1.9
145.10115	19.1
150.09138	30.9
155.08586	5.3
162.09186	5.4
163.11191	26.4
166.08643	8.5
173.09676	10.4
174.09140	2.0
178.08644	87.0
180.13823	3.7
184.07390	17.8
190.12344	3.1
191.10664	9.6
192.10223	2.6
208.13301	17.0
230.15457	17.6
240.13763	4.2
248.16512	14.7
258.14908	42.6
259.15137	1.9
264.15805	3.1
266.17502	10.4
276.15945	43.3
276.18756	3.3
283.15457	1.7
294.17062	14.3
307.22763	15.6
312.18036	3.4
312.21609	1.7
322.20328	2.4
340.21259	2.3
350.19644	23.3
350.37021	1.8
368.20724	43.2
386.21722	45.0
582.37793	2.1
589.26184	1.7
600.39020	27.0
601.38934	1.9
618.40039	100.0
619.40448	6.7
714.10571	2.1
762.40710	1.9
780.42963	2.4
781.44580	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	780.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	14.6
56.05042	3.5
57.03438	22.2
57.07071	4.7
57.56495	2.3
59.05017	3.6
59.59481	2.7
61.02919	8.5
62.06109	2.1
65.03934	2.2
67.05511	33.1
69.03088	3.3
69.03439	46.6
69.07077	16.3
70.06591	7.8
71.01343	3.5
71.04977	3.2
71.08637	2.7
72.08151	2.3
73.02924	32.7
75.57087	2.3
77.98277	2.3
79.05506	29.1
81.03419	5.0
81.07066	100.0
83.04995	4.8
83.08616	6.9
84.08163	10.7
85.02912	61.7
86.09719	5.4
87.04481	20.9
91.05496	31.9
93.07053	56.7
94.11301	1.9
95.04976	5.9
95.08617	72.0
97.02901	54.6
97.06539	2.7
97.10166	5.5
99.04447	6.2
103.05486	2.2
105.07039	57.6
107.08606	72.1
109.02899	6.3
109.06533	3.9
109.10168	64.2
111.04432	2.2
115.03171	4.4
115.03934	49.5
117.07019	6.2
119.08603	64.7
120.08128	4.6
121.10155	54.0
121.11039	2.7
123.08067	2.9
123.11715	19.8
127.03954	18.0
129.10251	4.5
131.08589	18.8
133.04976	28.1
133.10139	29.7
135.11728	25.8
137.13280	4.7
143.08575	4.2
145.04990	24.1
145.10127	19.5
147.11693	32.7
149.13263	37.6
157.10135	6.1
159.11713	30.7
160.82147	2.1
161.13254	36.1
163.06030	10.0
163.14851	28.0
171.11668	3.5
173.13278	14.1
175.14864	24.4
177.16420	16.5
187.14825	11.2
189.16400	13.2
191.17973	2.4
201.16426	16.1
203.17926	7.0
213.16382	4.2
215.17979	29.6
223.06140	2.6
229.19518	3.2
231.21033	5.0
241.06970	5.0
243.21211	3.5
245.22887	2.4
252.73619	2.5
257.22760	2.4
259.08273	5.4
259.81287	2.6
269.22540	3.6
271.24246	63.3
279.29568	2.6
289.25174	8.7
295.10205	6.4
325.11432	3.6
403.28561	2.8
753.79541	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	778.5385
Annotation	PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
Peak:m/z	Relative Intensity
56.05039	0.7
58.06336	0.3
58.06646	0.5
59.05015	0.2
59.07422	0.2
60.08167	6.1
63.05895	0.1
64.34505	0.1
64.38792	0.1
67.05499	0.2
70.06604	0.9
71.06986	0.2
71.07378	3.8
71.07764	0.3
71.28754	0.2
79.05489	0.2
81.07056	0.4
84.08128	0.2
86.09711	31.2
87.10054	0.2
91.05497	0.2
93.07044	0.2
95.08607	0.1
98.98472	4.1
104.10751	2.1
107.08569	0.2
109.10159	0.2
116.07098	1.4
119.08608	0.2
125.00013	22.2
130.08655	0.4
154.48428	0.1
184.07350	100.0
185.07727	0.6
213.13945	0.1
255.12834	0.1
500.31021	0.2
518.32379	0.3
778.53766	1.5
779.53967	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.9
55.05522	2.3
57.03443	2.7
59.04987	1.2
60.08159	1.1
61.02928	5.5
65.03940	0.5
67.05508	8.0
69.03436	4.0
69.07067	1.6
70.06580	0.6
70.96707	0.8
70.97037	0.5
71.01368	0.8
71.04993	1.3
71.07388	0.5
73.02932	3.5
79.05498	5.3
81.03424	3.9
81.07062	6.6
83.04970	0.8
83.08639	1.3
85.02907	6.5
86.09712	6.0
87.04495	0.7
87.10041	0.6
91.03967	3.8
91.05490	3.4
93.07055	5.3
95.04970	1.4
95.08609	4.4
97.02901	5.6
97.06550	0.9
98.98479	1.1
99.04479	1.0
101.02383	2.3
103.03965	0.6
105.07029	2.6
107.08584	2.1
109.02892	1.1
109.06577	0.6
109.10173	1.9
113.06046	0.5
119.08590	1.5
121.10159	2.6
123.08060	0.6
123.71783	0.4
125.00019	4.7
127.03951	1.9
129.07060	0.8
131.08578	1.1
133.10143	1.5
135.11703	1.0
136.06210	2.3
145.10133	0.9
147.11723	1.3
149.09656	0.9
184.07349	18.4
185.04193	0.9
185.07762	2.3
192.31474	0.4
193.12090	0.5
203.05319	0.5
228.24103	0.4
243.08467	2.5
267.15976	0.6
283.15167	5.5
310.66959	0.4
501.23224	6.2
519.29211	7.2
727.23981	0.5
779.45526	100.0
780.45947	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	778.5167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
55.05517	20.1
57.03432	1.3
57.07080	4.4
59.05001	1.5
61.02934	1.1
64.15461	0.7
67.05507	8.9
69.03430	3.1
69.07074	31.3
69.15431	5.0
69.15854	1.7
70.06597	1.3
71.05000	1.2
71.08630	3.2
72.08134	0.9
73.02905	0.6
73.06569	5.0
78.17409	0.6
79.05501	2.4
81.03422	1.6
81.07068	13.5
83.05003	0.8
83.08148	1.1
83.08624	14.4
84.08173	0.7
85.02911	9.0
85.10192	2.2
86.09701	1.1
87.04478	7.0
87.41312	0.6
89.06038	100.0
91.05499	1.3
93.07077	1.1
95.04958	0.7
95.08613	10.8
97.02892	2.0
97.09551	1.1
97.10178	21.2
102.43050	0.6
105.07042	1.0
107.07090	2.7
107.08585	0.8
109.02901	0.9
109.10168	8.6
111.11733	11.3
117.06965	0.8
117.09142	5.9
119.08573	0.6
121.10175	0.9
122.93612	0.6
123.11739	4.1
125.13297	1.7
127.03931	1.8
130.08685	1.2
131.07069	2.3
131.69260	0.6
133.08614	55.1
134.08995	0.8
135.18300	0.6
137.13281	1.6
145.05026	0.6
147.11665	0.6
151.09676	0.9
161.11746	2.8
175.09666	1.3
177.11232	27.0
184.07390	1.3
193.19612	1.1
219.12396	0.6
221.13882	6.9
239.15024	1.8
255.23228	12.5
265.16537	3.3
273.24252	0.7
283.17606	2.7
299.25867	7.2
309.19073	1.3
327.20313	2.4
353.21777	1.5
361.29504	1.1
371.23035	1.9
394.53412	0.6
405.32227	0.9
415.25424	8.5
449.34790	1.3
493.37604	1.4
537.40149	1.6
581.42621	29.2
582.42883	1.4
599.43646	2.7
617.73059	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.7
55.05514	12.8
57.03437	12.3
58.06591	1.3
59.05001	5.1
60.08162	4.0
61.02918	1.4
66.07938	1.2
67.05511	35.3
69.03427	3.2
69.06744	1.6
69.07069	9.5
69.94170	6.3
69.94555	2.1
70.06607	8.8
77.03928	1.5
79.05497	42.8
81.06588	2.6
81.07053	35.4
83.04966	5.0
83.08628	8.0
85.06543	2.3
86.09707	16.8
91.05486	30.1
93.07050	33.6
95.04963	4.8
95.08610	22.8
97.06495	2.5
98.98461	2.1
99.04510	1.4
99.94838	1.3
105.04559	1.5
105.07043	25.4
107.04945	5.9
107.08611	23.4
109.06516	4.8
109.10170	9.1
116.06333	1.4
116.07095	8.1
117.07021	13.7
119.08591	16.8
119.81681	1.2
120.96295	1.3
121.06499	3.3
121.10167	11.5
123.08084	2.5
123.11719	1.4
125.00002	11.5
125.09659	4.2
129.06999	4.2
131.08589	26.4
133.10132	10.6
135.08064	20.1
135.11703	3.7
137.09645	1.7
143.94167	1.5
145.10104	10.5
147.11687	7.7
149.09610	14.3
149.13258	2.9
157.10114	4.8
159.11667	4.6
161.13277	1.8
169.10074	1.7
171.11765	2.1
173.13277	13.6
175.11171	6.9
177.12726	1.8
184.07355	61.4
191.14316	66.3
209.15395	1.9
211.14899	1.7
219.17583	1.3
229.15907	4.4
233.19063	1.6
247.16956	6.3
275.20035	5.9
302.44470	1.5
307.22650	19.7
321.20572	16.3
335.25793	19.4
349.23743	6.6
511.47504	1.4
581.42053	100.0
582.42242	4.5
598.43939	2.2
621.26392	1.9
659.13281	1.6
667.53357	1.4
721.04614	1.6
778.53705	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.9
55.05517	12.2
56.72279	1.2
57.03446	11.7
59.04985	1.9
60.08154	2.1
63.70838	1.2
67.05509	43.5
69.03433	6.3
69.07071	15.0
69.62337	2.5
69.62750	6.1
70.06568	3.1
71.07371	1.9
74.09697	1.6
75.96531	1.2
76.14967	1.2
79.05498	45.0
81.03420	2.7
81.07065	42.1
82.07394	2.0
83.04979	2.5
83.08620	5.1
85.06540	4.0
86.09714	15.8
91.05486	38.6
93.06483	2.5
93.07051	38.0
93.07642	1.8
95.04958	3.2
95.08614	26.5
97.06512	4.5
97.10184	1.2
98.21493	2.5
98.98499	2.1
99.04451	1.8
99.08088	1.8
103.05457	1.6
104.10712	1.5
105.04518	2.6
105.07036	29.6
107.04961	5.8
107.08589	19.0
109.06506	4.5
109.10166	12.6
111.08053	1.4
116.07035	2.5
117.07024	13.2
118.44325	1.2
119.08586	21.1
121.06496	2.0
121.10154	18.2
121.73983	1.3
123.08078	2.6
125.00002	14.0
126.79491	1.2
129.07007	2.6
131.08557	15.3
133.10136	15.1
135.08029	3.8
135.11716	7.4
137.09618	3.0
143.08566	2.7
145.10132	10.2
147.11678	5.7
149.09637	3.3
149.13274	3.4
151.11168	1.5
157.10197	1.5
159.11694	7.0
161.13281	3.1
163.11185	4.0
173.13322	2.5
183.08018	1.4
184.07353	52.8
185.13275	3.2
187.14885	2.2
201.16438	1.8
203.14345	1.3
215.18011	1.9
219.17458	77.5
220.17830	2.4
246.19437	1.4
257.18979	3.3
267.76889	1.5
275.20047	16.2
307.22690	100.0
308.23117	2.7
321.20569	2.8
335.25833	3.9
349.23737	17.3
431.29065	1.5
515.37665	1.5
540.39087	1.7
580.19440	1.4
581.42047	95.5
582.42389	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	778.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.6
55.05511	10.1
56.05026	1.7
57.03436	5.7
57.07074	5.4
59.05005	5.0
60.08168	5.6
65.03946	1.3
67.05510	32.2
69.07070	10.7
70.06585	5.9
70.07745	2.3
70.08141	3.0
71.04995	2.2
71.07381	6.5
71.08621	2.2
73.02930	1.7
73.06574	1.8
74.54235	1.2
79.05500	50.8
81.03456	2.6
81.07064	36.9
83.04999	3.0
83.08627	7.1
86.09713	43.7
87.04470	1.5
89.06040	2.6
91.05490	34.2
93.07051	45.5
95.04978	5.3
95.08620	26.5
97.06522	3.1
97.10190	1.9
98.20807	1.4
98.98476	4.2
99.08125	1.4
104.10773	1.9
105.07040	18.9
107.04954	6.1
107.08601	27.6
109.06503	2.6
109.10163	13.3
112.99285	1.4
116.07116	5.9
117.07029	10.2
119.08590	24.9
121.10161	18.8
123.08072	2.4
123.11708	3.8
125.00005	19.9
129.07018	3.1
131.08575	29.1
133.08606	2.1
133.10139	17.7
135.11705	17.2
137.13287	2.0
141.07062	1.9
141.09113	4.3
143.08661	1.6
145.10106	17.5
146.98212	10.7
147.11687	5.8
149.09656	25.2
149.13284	1.7
150.67300	1.5
157.10130	4.2
157.57056	1.3
159.11693	14.0
161.09677	1.8
161.13249	3.2
163.14873	1.9
169.10089	2.0
173.13309	11.1
175.14850	2.5
181.12207	1.9
184.07359	100.0
185.07837	1.7
185.13332	3.1
187.11267	2.5
187.14841	2.4
201.16408	26.0
203.17967	10.5
211.14824	3.4
217.15926	1.2
229.15910	10.5
247.16982	5.7
286.65366	1.3
288.62814	1.3
290.60043	1.4
307.22766	5.0
321.20706	6.5
335.25830	24.2
352.73224	1.5
379.24854	2.1
380.33105	1.5
408.61505	1.7
448.89114	1.4
476.20856	4.8
483.34610	4.9
490.22025	2.6
491.23322	2.2
573.48450	1.8
578.27545	1.8
581.42004	40.5
582.42310	2.7
595.47058	10.2
719.32935	7.0
719.45905	7.3
778.34430	2.5
778.53314	9.9
779.54327	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	778.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03470	0.3
55.01874	4.2
55.05511	0.8
56.05034	1.4
57.03411	0.4
57.11683	0.3
58.02951	0.3
58.99575	0.5
59.06112	0.3
61.82030	0.2
67.05515	2.3
68.59338	0.3
69.03433	0.6
69.07068	1.1
70.02948	1.1
70.06593	2.7
70.80301	0.6
70.80701	0.5
71.04993	0.9
72.04523	0.4
72.08154	0.6
74.00668	6.8
74.02446	0.3
74.09698	0.3
76.02225	0.7
76.04008	13.7
79.05481	1.2
81.07059	2.4
83.04969	0.3
83.06107	1.9
83.08613	0.7
84.04505	16.1
84.08142	1.9
85.02922	0.9
85.04030	11.6
85.06549	0.5
85.08474	0.3
86.02419	0.3
86.09703	1.5
87.04453	0.5
87.61968	0.3
88.03992	0.5
89.06016	0.9
91.05496	1.7
92.01705	11.1
93.07041	1.8
95.04966	0.6
95.06050	0.3
95.08614	2.4
97.02855	0.3
97.06532	1.3
99.05583	15.2
102.05537	0.6
103.03926	1.3
103.05464	0.4
105.07046	2.0
107.04943	0.5
107.06081	2.2
107.08611	2.4
108.04483	0.4
109.06492	0.8
109.10157	2.9
110.07190	0.3
111.05550	0.4
111.08099	0.7
112.03241	0.4
112.03980	6.9
113.03493	4.2
115.05440	0.4
116.01704	0.3
117.07008	0.6
119.08579	2.0
120.08100	1.2
121.06525	0.7
121.10152	1.0
123.07970	0.4
123.11729	0.5
124.13402	0.3
125.05989	1.4
125.09630	0.9
127.04110	0.5
127.05042	2.4
128.06215	0.7
129.06572	2.4
129.10172	0.7
130.05006	39.9
131.02826	0.6
131.04523	11.6
131.08562	1.3
132.05328	0.3
133.06519	0.4
133.08572	0.7
133.10150	1.3
135.05550	1.3
135.07971	0.4
135.11707	1.0
136.03944	0.6
137.09619	0.6
139.03258	1.0
140.01698	0.5
140.07037	0.7
142.07784	0.4
143.08543	1.6
145.06093	14.1
145.10120	1.6
147.07994	0.5
147.11618	0.6
149.03807	6.2
149.13271	0.6
153.06599	6.4
153.09138	0.4
155.08420	1.1
157.10127	1.0
158.02719	0.5
158.10954	0.3
159.02225	0.6
159.08119	0.4
159.11688	0.8
160.00653	5.9
161.09607	1.1
161.13324	0.4
162.02222	0.6
163.11185	0.6
163.14864	0.4
165.07036	0.4
167.08583	0.3
169.06114	0.8
169.10115	0.9
171.08037	4.5
171.11728	0.6
173.09584	0.3
173.13179	0.7
175.11224	0.5
176.09187	0.8
177.03297	100.0
178.01692	2.7
178.03519	0.9
179.04718	0.4
179.08534	0.7
181.06099	5.0
181.10172	0.7
183.07811	0.5
183.11668	1.0
185.03828	6.2
185.09558	0.5
185.13339	0.5
186.02115	0.6
187.11247	0.4
187.14792	0.3
193.10149	0.7
195.04356	4.8
195.11732	0.9
197.09550	1.6
197.13359	0.5
199.07164	5.1
201.07269	0.3
203.04875	0.7
205.10089	0.4
207.11891	0.7
208.08934	0.4
209.09566	0.7
209.13283	0.5
211.07152	0.3
211.11140	0.8
211.14845	0.6
213.03354	0.5
219.11717	0.4
221.09554	0.8
221.13196	0.5
223.11261	0.7
225.12877	0.4
231.04358	5.0
233.13228	0.7
235.11273	0.5
235.14842	0.4
237.12686	0.5
237.16438	0.7
238.01700	0.3
239.06555	0.5
242.05879	1.3
243.04318	0.7
247.14931	0.4
249.05380	1.2
256.09375	1.7
261.12625	0.5
263.14285	0.8
263.18024	0.3
265.15973	0.7
269.78528	0.3
274.10379	5.2
277.15775	0.4
281.22711	0.3
288.06494	14.6
289.04803	1.0
291.17331	0.6
294.04437	0.8
306.07553	68.7
307.07788	0.9
324.08621	18.2
325.08920	0.3
379.47528	0.4
393.24326	1.5
401.24722	0.6
419.25870	0.6
451.22800	0.5
455.27750	0.6
468.09564	2.2
469.10541	0.4
487.25195	0.3
529.30457	0.3
582.44263	0.3
598.33966	0.6
649.31409	0.7
655.19598	0.3
778.34637	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.4
55.05513	5.5
56.05037	1.6
57.98807	1.1
58.99591	12.1
65.03958	0.9
67.05510	9.8
68.04993	0.8
69.03436	8.4
69.07076	4.0
69.16287	2.7
69.16707	4.3
70.02961	2.6
70.06599	1.7
72.22563	0.6
73.92635	0.8
74.00687	1.4
76.02233	51.7
76.04002	4.3
77.03979	0.7
79.05498	12.0
79.05921	1.1
80.05045	0.8
81.07067	13.1
83.05006	3.5
83.06103	5.9
83.08643	1.3
84.04509	12.9
84.04971	1.0
84.08173	0.7
85.02921	2.0
85.04027	3.6
85.06562	1.2
86.00638	1.2
86.99075	3.0
88.02229	1.7
91.05486	11.2
92.01730	1.4
93.07047	10.2
95.04990	2.4
95.08617	18.1
97.01109	0.8
97.06537	10.2
99.05602	2.5
103.05445	0.8
105.07040	17.6
107.04981	2.6
107.08600	19.2
109.06518	10.6
109.07663	1.2
109.10165	9.7
111.04484	2.4
111.08095	3.3
113.03497	1.3
114.03803	1.2
115.05402	1.5
116.01694	16.0
117.07075	3.5
119.08586	9.0
121.06536	5.9
121.10157	7.2
123.04475	2.4
123.08074	41.4
123.11704	6.0
125.06012	12.2
125.09644	18.0
128.01637	0.9
128.06213	4.0
129.06731	5.1
130.05013	9.9
131.04544	3.6
131.08571	11.5
133.06540	2.2
133.10132	12.2
135.04451	0.9
135.08078	5.0
135.11714	2.5
137.09625	4.8
139.07588	1.1
141.04843	1.5
141.07040	3.0
142.03242	8.9
142.07816	2.9
143.08572	16.5
144.01154	9.5
144.09428	0.8
145.06117	7.0
145.10124	11.5
146.02789	0.7
146.07266	0.8
147.08086	3.7
147.11684	5.3
149.09657	5.3
149.13268	0.9
151.07552	6.9
151.11209	1.6
152.06161	0.8
153.06825	2.7
153.09082	5.4
154.07764	1.3
155.06044	0.8
155.08566	10.8
155.10677	1.5
156.09306	1.8
157.06528	1.7
157.10114	8.8
158.27435	0.8
159.08058	8.7
159.11691	7.0
160.08864	0.8
161.04211	1.3
161.09642	13.5
161.13313	2.5
162.02216	32.9
163.11227	1.6
165.06944	3.9
166.07852	1.6
167.08592	3.7
168.09380	1.8
169.06412	1.1
169.08664	22.1
169.10184	9.2
170.02737	3.9
171.08069	35.8
171.11690	5.7
172.08551	0.7
173.09645	8.2
173.13303	3.5
175.11183	5.5
177.03311	12.6
177.12808	2.6
178.07870	1.6
179.04868	70.6
179.08417	4.8
179.10750	1.6
180.09425	1.3
181.06277	2.0
181.10126	8.2
182.07295	1.2
182.10948	1.9
183.08128	4.8
183.11673	8.3
183.13019	0.7
184.12509	0.9
185.03871	1.9
185.09695	4.4
185.13275	6.3
186.14178	1.1
187.05498	6.1
187.07356	1.3
187.11217	3.5
187.14859	2.2
188.05510	0.9
189.03433	1.5
189.09142	3.4
189.12828	2.2
191.08670	1.2
192.09409	1.5
193.10213	8.3
193.12305	2.0
194.07352	0.8
194.10954	2.4
195.08083	2.8
195.11713	8.8
196.08913	2.5
196.12561	2.2
197.09612	8.7
197.11185	0.7
197.11581	0.9
197.13281	6.1
199.07274	1.3
199.11258	3.0
199.14938	2.6
201.07344	1.1
201.12840	2.1
203.05211	1.2
203.14415	0.9
204.09418	1.0
205.10214	2.1
206.11005	2.3
207.11697	5.8
208.08887	2.5
208.12563	1.8
209.09703	6.1
209.13301	3.9
210.10406	1.7
211.11195	9.5
211.14743	3.4
212.12022	1.2
213.12753	5.1
215.04919	2.4
215.08574	0.9
215.14391	2.0
217.10263	1.2
218.11037	1.4
219.08145	1.0
219.11699	4.2
220.12518	1.7
221.09673	4.9
221.13275	4.8
221.15279	0.9
222.10440	2.8
222.14006	1.1
223.11176	5.3
223.14767	3.5
224.11966	1.0
225.12834	3.9
225.16507	2.0
227.05132	1.4
227.10767	1.6
227.14395	2.3
229.10129	0.7
229.12350	1.5
230.11003	1.8
231.04433	2.6
231.11821	2.0
232.12541	2.6
233.05940	15.1
233.09583	1.5
233.13274	3.7
234.10423	1.5
234.13995	1.1
235.11217	6.7
235.14845	5.9
236.11989	1.2
237.12727	6.2
237.16341	3.5
238.13632	0.9
239.14333	5.3
239.18001	4.0
241.12321	1.4
241.15970	1.6
243.17566	1.0
244.12486	1.1
245.05899	4.0
245.13284	3.6
247.11385	1.6
247.14798	4.1
248.11989	3.4
249.12708	3.8
249.16447	5.1
251.14331	3.9
251.18192	1.0
253.12700	0.8
253.15993	3.3
255.14044	1.2
255.17470	1.3
256.12503	0.9
257.13202	0.9
257.19144	1.1
259.11209	1.1
261.12830	3.8
261.16470	1.9
262.13458	1.0
263.14331	23.5
263.17261	1.2
264.14914	1.5
265.15909	10.1
267.14456	1.1
267.17468	19.6
268.17950	0.8
269.44717	0.8
271.11511	0.8
271.14917	1.2
274.13623	2.5
275.14413	2.3
275.17871	1.2
277.16010	1.7
279.14117	1.5
279.17572	2.0
281.15387	13.8
283.17142	1.5
285.18460	5.1
287.14423	0.9
288.15222	1.2
289.15860	9.2
291.06662	2.2
291.17487	1.6
293.15320	0.9
293.18939	1.2
303.17538	2.1
304.18109	1.6
306.07489	1.7
307.16983	4.0
308.09100	10.4
339.14389	0.8
349.22244	0.9
371.23849	1.9
381.22391	1.1
384.34955	0.9
389.24817	1.7
389.88089	0.7
391.22479	1.1
399.23294	7.9
407.25931	1.7
409.23807	7.8
417.24258	13.3
425.27200	0.8
435.25351	13.8
435.30743	1.2
449.21814	1.7
453.26404	5.8
471.27307	1.1
510.26529	1.7
528.27930	2.5
546.28918	5.0
595.28583	3.7
613.29236	4.7
631.30389	16.1
632.31238	1.4
649.31531	26.2
650.31610	1.7
667.30353	0.9
685.31549	2.2
703.32562	13.0
704.33386	0.9
742.33575	0.9
760.34570	3.1
778.35822	100.0
779.36328	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	776.5747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.3
57.03431	1.6
57.07080	31.6
59.04993	2.0
61.44445	0.5
67.05513	3.8
68.05844	0.5
69.03438	1.0
69.07072	3.2
71.04996	0.9
71.08637	26.1
71.50998	0.7
73.02922	1.6
73.06557	10.8
79.05500	4.3
79.48621	0.5
81.03426	3.7
81.07064	4.5
82.07395	0.6
83.04965	0.6
83.08629	3.6
85.10187	16.4
86.09711	1.3
87.04478	13.2
89.06037	100.0
91.05461	3.1
91.07613	1.3
92.05817	0.9
93.07042	3.1
95.04967	1.7
95.08617	2.3
96.08960	0.6
97.06541	0.5
97.10172	4.3
98.98553	0.6
99.11736	3.9
105.07060	2.3
107.05036	0.5
107.07053	1.7
107.08609	2.1
109.06485	1.0
109.10175	1.3
111.08127	0.6
111.11679	3.1
113.13294	1.7
117.07012	1.0
117.09139	10.3
119.08623	1.5
121.10167	1.6
123.08090	0.5
123.11689	0.7
125.00016	0.7
127.14796	1.0
129.07016	1.1
130.07722	0.5
130.08659	2.1
131.07057	3.7
131.08604	1.7
133.08614	52.2
134.08948	0.6
135.10175	1.2
135.11722	0.9
143.08614	0.5
145.10150	0.8
147.11768	0.8
149.09605	0.5
159.11719	0.7
161.11749	2.4
169.19504	4.1
175.09747	2.4
177.09671	1.0
177.11237	20.7
184.07368	4.6
193.12282	0.7
211.10980	0.5
213.22215	1.9
221.13853	3.9
239.14912	0.6
257.24771	7.1
265.16479	1.1
267.15857	1.2
268.16315	1.5
283.17566	1.0
301.27441	3.7
309.19284	0.8
335.25894	1.5
336.26315	0.9
337.26605	1.2
353.21750	0.5
432.28638	0.7
529.38220	0.6
579.40173	0.7
621.69672	0.5
661.91528	0.6
759.55066	1.3
776.43927	0.6
776.57251	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	776.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.2
55.05515	44.1
57.03193	1.6
57.03446	17.0
57.07077	1.8
59.05003	3.6
61.02927	3.4
61.86226	1.1
64.41882	1.3
65.03939	4.4
67.05511	100.0
69.03434	5.1
69.07074	17.6
70.90086	3.4
71.04994	5.2
73.02905	2.1
76.92751	1.2
79.05499	50.7
81.03432	6.5
81.07064	64.0
83.01839	1.2
83.04993	5.6
83.08632	13.5
85.02908	16.7
85.06561	3.0
86.09711	4.8
87.04469	5.7
91.00189	1.2
91.05486	28.5
91.06033	2.5
93.07053	47.0
95.04960	6.5
95.08610	43.4
97.02885	3.0
97.06561	6.9
97.10174	22.9
103.58093	1.6
105.04523	2.2
105.07038	17.2
107.04993	2.2
107.08602	26.9
109.06537	3.1
109.10168	50.4
110.10457	1.3
111.08098	3.4
117.07027	7.0
119.08601	17.3
121.06506	1.5
121.10145	19.6
123.08103	2.4
123.11731	3.9
124.99998	2.2
125.09646	22.6
129.07010	2.4
131.08582	10.2
133.10150	11.1
135.11717	11.1
137.09621	4.7
139.11191	1.8
143.08551	2.4
143.10751	4.0
145.10162	9.2
147.11728	7.7
149.09688	1.5
149.13243	6.8
151.11150	1.7
155.10721	3.5
157.10188	2.9
159.11746	6.3
160.14297	1.3
161.13269	4.5
163.11205	6.4
163.14796	3.0
165.12796	1.3
171.11719	1.9
173.11751	11.3
173.13298	6.1
175.14885	1.7
181.12206	2.6
184.07367	12.8
187.14813	2.3
191.10818	1.9
193.12283	1.9
199.13283	9.6
209.11800	2.3
217.14452	2.7
227.12793	4.4
229.14384	38.6
243.21159	4.9
245.13860	2.1
259.20657	1.6
261.22186	14.8
267.15991	4.7
277.21777	1.4
283.15350	2.0
287.40549	1.3
299.54834	1.2
301.16483	14.7
303.23212	2.3
307.99738	1.2
317.24847	1.7
319.17584	1.6
335.25836	66.0
336.26102	3.2
459.34521	2.0
477.35675	14.3
489.35812	15.9
512.79413	1.4
543.36853	3.7
561.37903	6.7
579.38538	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	776.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.4
55.05515	43.9
56.05038	1.0
57.03441	16.5
57.07076	4.3
57.17511	0.8
59.05004	3.9
61.02919	3.2
62.16055	0.9
65.03938	3.6
67.05508	100.0
69.03428	4.3
69.07072	20.3
71.01356	1.2
71.04992	3.6
71.08624	0.8
71.50626	1.1
73.02901	1.3
77.03921	1.1
79.05496	56.5
80.05827	1.1
81.03414	6.8
81.07061	67.6
83.04981	8.1
83.08621	17.1
85.02910	16.6
85.06553	3.3
86.09715	2.2
87.04462	6.6
89.06027	1.5
91.03992	1.4
91.05485	29.6
93.07048	46.3
95.04989	7.2
95.08613	45.1
97.02881	4.3
97.06557	3.8
97.10180	25.9
99.08096	2.4
103.03949	1.7
105.04559	1.5
105.07043	18.3
107.04227	1.0
107.04954	3.2
107.08601	29.8
109.06530	3.2
109.10162	50.8
111.04475	0.9
111.08115	5.8
111.08773	1.0
111.11751	1.2
115.05461	1.0
117.07027	7.1
119.08590	17.5
119.71878	0.8
121.06542	1.2
121.10146	20.7
123.08125	2.3
123.11716	5.8
125.00024	1.6
125.09631	22.6
129.07008	3.0
131.08568	11.7
133.10133	11.4
135.08086	2.6
135.11703	15.8
137.09619	3.1
137.13264	1.9
139.11188	3.3
143.08575	2.6
143.10687	2.6
145.10117	12.0
147.08061	1.8
147.11690	8.5
149.09633	3.0
149.13242	6.0
151.11201	2.3
153.12752	1.7
155.08563	1.7
155.10696	3.5
157.10138	3.0
159.11694	7.6
161.13304	5.1
163.11195	5.6
163.14847	2.9
171.11652	2.5
171.12994	0.9
173.09601	2.2
173.11757	12.2
173.13278	4.8
175.11226	1.0
175.14818	1.5
179.14386	1.0
183.11604	0.9
184.07335	6.3
185.11783	1.1
185.13289	2.5
187.14824	3.1
189.11246	1.5
191.10686	1.8
193.12273	3.4
197.13316	1.0
199.13319	8.4
199.14845	1.7
201.16435	1.0
205.12378	1.0
209.11670	1.8
211.13266	2.2
211.15065	1.0
213.16422	1.1
217.14432	1.1
219.17509	1.2
227.12808	6.3
229.14360	33.3
230.14822	1.3
241.14320	1.2
241.19490	1.2
243.21175	3.4
245.13910	1.9
257.13879	1.0
259.20636	2.5
261.22137	14.1
267.15930	4.1
273.18625	1.6
275.19897	0.9
277.21667	1.5
283.15439	1.4
289.21710	1.6
301.16470	15.0
307.22736	1.2
317.24722	2.0
319.17474	2.0
327.22964	1.5
333.24411	1.2
335.25809	72.7
336.26270	2.7
349.23584	1.2
351.25500	1.0
363.25336	3.0
387.05383	0.9
389.26880	1.1
407.28464	1.4
454.03378	1.0
459.35001	2.2
477.35870	10.8
489.35785	14.0
543.36444	2.4
561.38000	5.9
579.39038	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	776.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.5
55.05514	39.1
57.03440	19.7
57.07058	2.5
59.04998	3.6
61.02910	3.2
65.03938	4.3
67.05509	100.0
69.03429	4.0
69.07069	17.9
70.06597	1.1
70.95649	1.1
70.95968	1.4
71.01351	1.8
71.05013	4.5
73.02907	2.0
79.05495	45.7
81.03423	6.6
81.07059	60.4
83.04984	6.2
83.08620	14.3
85.02907	16.1
85.06534	3.3
87.04477	6.5
89.06040	1.0
91.05484	24.0
93.07051	40.1
95.04967	3.5
95.08612	40.1
97.02902	2.6
97.06522	4.3
97.10180	21.3
103.03946	2.0
105.04507	1.6
105.07027	15.5
107.04955	1.8
107.08595	26.0
109.06509	2.1
109.10163	52.4
111.04463	1.1
111.08095	4.0
117.07024	6.4
119.08591	15.4
121.06549	1.0
121.10152	20.2
121.11002	0.7
123.08099	2.0
123.11719	5.6
125.09633	20.7
128.43834	0.9
129.07011	2.1
131.08572	11.3
133.10143	11.6
135.08014	1.4
135.11693	12.4
137.09616	2.9
137.13249	1.7
139.11177	2.4
143.08571	2.1
143.10703	4.3
145.10130	9.4
147.08078	1.0
147.11679	7.0
147.89133	0.8
149.09621	1.1
149.13237	4.1
151.11205	1.3
153.12790	1.4
155.08556	1.4
155.10698	4.0
157.10158	2.8
159.11696	6.3
161.09570	1.0
161.13319	4.4
163.11192	4.8
163.14864	2.4
163.70305	0.9
167.10797	1.0
170.93907	1.0
171.11674	1.9
173.11752	14.1
173.13280	5.0
175.11205	1.0
175.14851	1.8
181.12175	1.6
184.07321	3.3
187.14786	2.7
189.11281	1.8
191.10608	1.0
191.16418	0.8
193.12270	2.8
199.13264	11.0
199.14752	1.5
201.16374	1.2
209.11775	2.4
211.13243	1.2
217.14384	2.5
217.78258	1.0
225.67087	0.8
227.12790	8.5
229.14365	49.1
230.14735	1.1
243.21126	5.1
245.13870	3.8
257.13962	1.3
259.20459	1.9
261.22141	15.3
267.15930	3.4
283.15744	1.5
285.22119	1.5
289.21707	1.5
297.22000	1.7
301.16476	13.4
315.23358	1.1
317.24713	1.5
319.17603	1.0
333.24451	1.3
335.25821	75.5
336.26208	2.7
363.25259	2.7
379.11923	1.1
398.50659	1.0
450.70615	1.0
451.32471	1.1
459.34821	2.0
477.35748	10.2
489.35776	15.8
543.36469	3.5
561.37872	7.0
579.39008	2.8
645.63672	1.1
662.86749	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.0
55.05517	43.3
57.03196	1.9
57.03448	17.5
57.07072	3.8
59.04998	5.1
61.02927	4.1
63.48619	1.1
65.03954	5.1
67.05510	100.0
69.03429	4.3
69.07076	20.3
69.20464	7.1
69.20896	4.7
71.01369	1.5
71.04997	5.4
73.02916	2.6
79.05502	53.2
79.05970	3.0
80.52791	1.3
81.03455	7.7
81.03845	1.4
81.07063	65.1
83.04987	7.3
83.08630	16.6
85.02910	18.5
85.06551	3.5
86.09729	2.0
87.04466	9.8
88.78165	1.4
89.06062	1.5
91.03959	1.5
91.05488	30.8
93.07053	47.2
93.07646	2.5
95.04988	6.1
95.08615	45.0
97.02901	4.9
97.06546	6.2
97.10181	23.9
99.08100	1.6
103.03998	1.7
105.07037	17.0
107.04951	4.2
107.08603	32.1
109.06535	5.8
109.10165	42.5
111.08051	3.9
113.09641	1.8
117.07030	9.0
119.08601	16.5
121.06519	2.0
121.10155	19.9
123.08086	3.1
123.11696	4.8
125.09641	24.4
129.07007	2.5
131.08569	10.3
133.10130	12.1
135.08080	3.9
135.11713	14.2
137.09637	4.7
139.11168	3.6
143.08612	2.9
143.10670	3.3
145.10141	11.1
147.11722	8.5
149.09621	3.1
149.13284	4.3
151.11244	1.7
153.12781	1.4
155.08598	2.3
155.10706	3.6
157.10112	2.0
159.11708	9.4
161.09653	1.3
161.13309	4.2
163.11229	5.1
163.14827	3.1
169.10127	1.8
171.11690	1.6
173.09590	2.1
173.11754	11.1
173.13307	6.5
175.11192	1.6
184.07309	7.9
185.13345	2.0
187.14885	2.1
189.11273	2.0
193.12282	3.6
197.13277	1.6
199.13333	8.9
199.14967	2.2
209.11775	1.7
213.16426	1.6
217.14270	1.8
227.12787	8.2
229.14368	32.7
243.21114	3.1
245.13861	2.8
257.13745	2.5
259.20541	2.9
261.22092	11.2
262.22665	1.5
267.15961	5.0
273.18573	2.6
277.21671	2.2
301.16504	16.6
307.22748	6.2
315.23129	1.7
317.16074	1.4
317.24844	1.6
319.17502	2.8
327.22766	1.3
333.24240	2.1
335.25827	52.1
336.26129	3.5
347.22324	2.7
363.25211	2.2
451.31863	1.5
477.35803	8.8
489.35818	6.7
518.68921	1.3
543.36945	3.0
561.37677	5.9
579.38751	3.1
604.42126	2.6
701.08258	1.2
706.31921	1.4
799.89685	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	776.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.8
55.05513	0.4
57.03430	1.1
58.77755	0.3
61.02931	1.5
68.05012	0.5
69.03434	4.2
69.44087	1.9
69.44503	0.4
70.06594	2.5
71.01351	0.3
71.05000	0.6
72.08150	1.2
73.02923	0.6
74.06108	0.4
77.03918	0.3
79.05494	3.7
80.05019	1.1
81.03422	4.8
83.04963	0.6
84.04505	1.0
84.08131	1.4
85.02911	14.8
86.09701	1.2
87.04488	0.4
95.04980	1.3
97.02906	5.9
97.06538	0.8
98.06062	3.4
99.04447	1.5
102.04678	0.3
103.05473	26.4
104.05749	0.4
105.04489	0.6
107.04958	1.1
109.02895	3.2
116.07078	0.5
120.08066	0.3
123.04413	0.4
124.07583	1.0
125.06000	8.6
127.03941	3.5
129.10266	0.8
131.04935	100.0
132.05258	1.3
136.06197	0.8
140.07076	0.5
142.08646	18.1
145.04965	3.6
147.04399	0.4
149.05997	6.6
160.09708	12.4
161.10051	0.4
163.06039	0.8
178.08656	0.3
196.72118	0.3
202.10724	0.8
232.09700	1.1
250.10794	1.1
257.08093	1.2
268.11969	0.3
275.09119	6.4
287.05313	0.4
293.10214	16.3
294.10754	0.5
299.35681	0.3
350.25180	0.3
398.15970	0.7
416.16928	0.8
434.18085	2.9
452.19180	6.8
473.25891	0.3
526.39575	0.3
547.98145	0.3
646.00702	0.3
696.91241	0.3
758.29535	0.7
776.29510	1.5
776.41791	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	18.4
56.05029	3.0
57.07074	4.6
58.99591	22.4
61.01137	2.5
65.03924	3.9
67.05186	3.0
67.05511	36.9
68.20772	1.6
68.64838	1.8
69.03429	4.2
69.07081	22.2
70.02961	15.3
70.06596	19.9
71.04981	2.9
71.50396	1.8
72.08146	3.9
73.01147	1.8
73.31387	1.9
76.02237	56.0
76.04002	11.2
77.03915	2.2
78.28279	1.9
79.05078	2.7
79.05504	35.1
81.07064	100.0
83.04964	3.6
83.06086	3.5
83.08598	8.2
84.04517	19.5
84.08140	8.2
85.01128	2.0
85.02898	6.0
85.06554	19.3
86.09676	6.6
86.99042	8.3
87.02696	4.1
88.02190	5.2
88.03959	2.5
89.06007	2.6
91.05489	32.7
93.07054	69.3
95.04951	5.9
95.08620	66.4
95.09229	1.5
97.01067	2.3
97.02864	3.8
97.06540	4.2
97.10160	6.3
98.62817	1.8
99.02681	9.0
99.05595	10.5
99.08090	3.4
101.04245	15.1
102.03735	1.9
105.07034	40.5
107.08603	69.1
109.06534	3.2
109.07648	2.0
109.10165	39.2
111.02662	3.5
111.08071	2.3
113.04237	4.5
115.05794	2.7
116.01687	42.4
116.03404	2.0
117.07002	6.0
119.08591	46.4
120.08117	4.6
121.10142	41.2
121.10929	1.3
123.11713	17.5
125.04188	2.5
125.09620	5.6
127.05755	3.1
129.06604	4.0
130.04993	7.6
131.08569	12.4
133.10135	20.8
135.11708	22.5
137.13272	4.4
139.05782	2.6
141.07350	4.7
142.03235	11.4
143.08563	2.4
144.01170	21.8
145.06088	90.5
145.10117	16.6
147.11713	22.5
149.13269	27.8
155.08220	4.1
157.10146	2.8
159.08414	15.0
159.11684	16.8
161.13268	20.6
162.02220	71.3
163.14825	18.4
165.12733	2.2
170.02731	4.6
171.11639	2.1
173.13272	9.0
175.14864	8.4
177.16434	2.7
179.04861	19.0
181.10361	1.9
183.11726	2.0
185.09880	2.3
185.13239	2.5
187.05350	2.4
187.14819	5.1
189.16409	14.5
191.17996	4.6
193.10437	2.4
193.15883	4.4
199.07108	3.9
201.16412	7.6
203.17960	5.3
213.16333	3.7
215.14389	2.0
215.17969	6.3
217.19472	4.0
219.17459	2.5
229.19547	2.7
231.21057	7.1
233.05893	5.2
252.97824	1.8
265.14566	2.8
271.24240	9.5
274.10446	16.4
289.25253	18.2
303.14261	2.1
303.21265	2.3
308.09265	4.1
321.22424	7.1
323.23987	6.9
347.24069	9.8
364.26730	32.0
375.23593	4.2
421.16855	2.1
449.27994	2.3
450.26532	6.9
467.29507	53.8
468.29572	3.6
493.30438	2.3
521.30554	17.6
528.27319	2.1
531.68945	1.9
561.30042	2.6
578.32758	2.7
596.33710	64.4
597.33661	3.5
669.08783	1.9
752.78003	2.1
776.46442	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	775.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.9
56.05042	1.2
58.06853	0.5
60.04533	0.9
61.60244	0.5
62.05165	0.7
63.57323	0.5
67.05514	0.8
69.03445	0.6
69.07077	0.7
70.06596	15.4
70.99825	1.2
71.39993	0.5
72.08163	5.6
74.06075	1.1
75.04493	0.6
76.41074	0.5
77.84039	0.4
79.05480	0.8
81.03433	0.7
81.07082	0.9
84.04512	2.8
84.08144	6.9
85.02925	1.8
85.47286	0.5
86.09713	6.7
87.05595	0.6
90.07286	0.5
91.05515	1.0
93.04601	0.5
93.07060	1.1
95.06124	0.9
98.06104	1.3
102.05569	1.2
103.05537	0.6
107.08604	0.7
109.10189	0.8
110.07207	0.9
112.08752	1.8
116.07130	2.0
118.46629	0.6
120.08114	4.1
121.06547	0.5
129.10226	4.0
131.04964	0.8
137.06038	0.6
147.04443	1.4
151.03944	0.5
159.07681	0.6
167.07091	0.8
213.47385	0.5
268.17194	0.5
276.83304	0.5
287.05402	0.8
288.40414	0.5
301.46979	0.5
397.13031	0.6
775.40900	100.0
776.41650	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	774.594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.6
57.07080	32.3
59.05009	2.1
62.64474	0.3
67.05502	1.4
69.03434	0.4
69.07072	4.8
71.08636	27.6
72.55618	0.3
73.02930	1.2
73.06558	10.3
78.72614	0.3
81.07056	1.4
83.08617	5.5
85.10190	16.3
86.09717	0.8
87.03937	0.4
87.04472	10.4
89.06037	100.0
90.06348	0.7
91.05498	0.7
91.07597	1.1
93.07053	0.8
95.08594	0.9
97.10172	5.9
99.11733	2.7
105.07056	0.4
107.07073	1.5
109.10155	0.6
111.11732	3.9
113.06009	0.7
113.13320	1.7
115.07552	0.4
117.09142	9.2
125.00007	0.4
125.13269	1.3
127.14837	1.3
130.08601	1.9
131.07060	2.4
133.08612	48.7
134.08966	0.3
135.10141	1.1
139.14801	0.6
141.16403	1.6
153.16287	0.5
155.17944	1.2
161.11729	2.4
169.19487	0.6
175.09680	2.3
177.11237	19.2
178.11475	0.6
179.12817	0.5
184.07346	2.3
211.24200	1.6
219.12265	0.6
221.13831	3.8
223.15459	0.5
239.14758	0.5
255.26927	2.2
262.75717	0.4
265.16394	1.2
265.52960	0.3
267.18112	0.6
283.17468	1.0
299.29468	5.1
309.19037	0.7
327.19983	0.5
333.77151	0.4
343.31982	2.6
353.21719	0.5
459.27716	0.4
547.32935	0.8
757.55872	1.6
767.86707	0.4
774.60748	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	774.5646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.4
56.05030	0.9
56.80029	0.2
58.06604	0.4
59.05008	0.4
60.08163	6.4
67.05511	0.9
68.66664	0.2
69.07064	0.4
71.07376	3.6
71.08643	0.4
71.51058	0.3
77.28844	0.2
79.05510	0.7
80.82336	0.2
81.07053	0.7
83.08620	0.3
86.09709	29.6
87.10022	0.3
91.05475	0.4
93.07060	0.5
95.08621	0.5
96.97946	0.2
98.98467	3.2
101.38029	0.2
104.10762	2.2
105.07047	0.4
107.08563	0.3
109.10190	0.3
112.08664	0.2
119.08576	0.3
121.10157	0.4
125.00009	19.9
143.00977	0.3
150.60539	0.2
184.07346	100.0
185.07646	1.0
199.07045	0.2
253.03490	0.2
293.21237	0.2
415.10492	0.2
496.34286	0.3
756.55426	4.6
774.50781	0.2
775.52448	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	3.5
57.07081	34.8
59.04718	0.7
59.05008	12.2
61.02888	0.7
67.05503	3.0
69.07070	5.4
71.08638	32.9
73.02917	0.7
73.06178	0.9
73.06562	10.5
76.07444	0.8
77.06029	0.9
79.05495	1.6
79.46362	0.7
80.05808	0.8
81.07052	2.4
82.92221	0.6
83.08611	4.7
85.10188	19.0
86.09698	2.3
87.03933	0.9
87.04477	19.0
89.06040	51.7
90.49713	0.6
91.05460	1.3
93.07053	1.7
95.08621	1.8
97.06561	0.7
97.10172	5.8
99.11745	2.2
103.03951	100.0
103.07594	6.1
104.04277	0.8
105.07011	1.1
107.07085	2.3
107.08590	1.2
111.11736	3.1
111.79169	0.7
113.06020	1.5
113.13333	1.2
117.09135	11.8
119.07089	1.8
119.08582	1.2
121.08653	1.4
121.10170	0.9
123.08097	0.7
125.00025	1.2
125.13318	1.2
127.14790	1.5
130.08626	1.2
131.07079	5.1
131.08557	1.1
133.08607	20.1
133.10141	1.2
135.10168	1.0
135.11714	0.7
135.41563	0.6
141.16425	0.7
145.10068	0.7
147.06537	9.4
147.10175	2.6
147.11684	0.7
147.58157	0.7
161.11758	2.8
163.09718	3.2
175.09731	2.7
177.11253	8.9
184.07373	6.5
191.09131	6.1
197.22658	1.5
207.12347	3.4
219.12305	0.8
221.13928	2.4
235.11790	4.8
241.25381	2.4
256.46436	0.7
279.14447	0.9
285.27951	5.6
329.30664	3.5
485.82309	0.8
757.53320	1.3
774.56567	3.2
799.61188	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.3
55.05520	21.4
55.88029	1.7
57.03445	22.5
57.07079	3.3
59.05005	2.8
65.03954	3.1
67.05510	64.4
69.03435	3.5
69.07066	14.0
70.76218	3.9
71.04995	4.3
78.72485	2.0
79.05502	48.8
81.03426	93.4
81.07064	67.1
83.04985	6.0
83.08633	22.5
85.02921	2.1
85.06547	2.6
91.05488	36.9
93.07051	46.3
95.04973	26.9
95.08614	50.9
97.02911	3.7
97.06557	4.3
97.10174	9.2
99.08047	2.1
105.07053	27.6
105.07709	3.1
107.04972	9.1
107.08614	21.7
109.06515	6.6
109.10163	21.1
111.08099	6.7
117.07037	7.7
118.17846	1.8
119.08592	31.7
121.06535	4.4
121.10151	24.1
123.04421	2.0
123.08109	4.6
123.11707	5.9
125.09631	6.1
129.07024	10.9
131.08588	24.0
133.06496	3.0
133.10147	15.7
135.08044	2.9
135.11693	15.5
137.09610	3.2
142.07834	3.4
145.10139	9.4
147.08046	4.3
147.11694	15.8
149.09625	5.8
149.13280	7.0
157.10146	13.1
159.11687	10.7
161.13344	5.2
163.11255	2.6
163.14859	3.3
167.05008	1.8
169.10213	2.4
171.10249	2.0
171.11757	2.7
173.13287	5.7
175.11211	7.3
175.14861	3.5
183.11577	2.3
184.07388	5.7
187.14897	2.9
189.11232	4.3
193.12288	22.3
205.12239	3.0
227.12798	8.4
233.15623	1.9
243.21089	5.8
261.22156	21.8
267.15939	100.0
268.16275	2.7
301.14246	2.4
301.25269	6.4
303.22977	1.9
309.17087	3.0
317.24777	4.5
335.25809	98.4
359.25854	2.0
393.19159	2.4
417.31546	2.7
421.25842	2.5
433.34100	2.5
435.27100	3.4
435.32529	4.4
453.33475	12.4
471.34674	6.1
475.61298	2.5
527.37354	65.4
528.37604	3.0
545.38391	42.3
569.38538	3.6
631.49640	1.9
635.38196	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	774.4638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
55.05521	3.3
56.05029	0.4
57.03448	3.3
57.07082	0.8
58.06606	4.0
59.07386	3.2
60.08169	11.7
61.02932	2.7
65.03947	1.0
67.05510	9.4
69.03436	10.0
69.03812	0.5
69.07077	4.1
69.32875	0.7
69.33281	2.8
70.06599	4.3
71.01363	1.2
71.04996	1.5
72.08164	1.9
73.02921	3.1
76.02220	1.8
77.03928	0.4
79.05501	8.4
79.08225	0.4
81.03428	2.7
81.07064	16.8
83.01353	0.4
83.04983	0.9
83.08628	1.1
84.04529	1.3
84.08145	2.2
85.02912	19.5
86.09719	3.1
87.04475	3.8
91.03963	0.8
91.05490	10.7
93.07050	23.2
95.04972	2.5
95.08614	12.9
97.02901	7.0
97.06528	0.5
97.10186	0.7
98.06090	0.8
99.04465	1.9
102.09185	10.4
103.03950	22.9
105.04562	1.0
105.07042	10.1
107.08601	21.5
109.02912	1.5
109.06541	0.8
109.10154	7.0
110.07193	1.1
112.08718	0.4
115.03939	9.3
116.01686	0.7
116.07069	0.5
117.07046	0.9
119.06092	0.5
119.08598	6.2
120.08176	0.6
121.10151	5.3
123.11746	2.1
125.02367	0.6
127.03918	3.5
129.10281	0.9
130.07799	0.4
131.08574	1.1
133.05009	0.9
133.10165	3.7
135.11708	4.5
137.13319	0.6
145.04996	0.9
145.06094	0.5
145.10152	1.3
147.04424	0.4
147.11688	2.9
149.13283	1.0
159.11787	1.0
161.04471	2.1
161.13332	1.2
162.02209	1.0
162.11267	16.5
163.14815	0.6
173.13293	0.4
175.14862	0.9
179.04930	1.4
188.12885	0.9
203.18062	0.5
207.66457	0.4
233.05919	0.5
269.22784	0.5
278.16101	1.6
286.69589	0.4
287.05606	0.6
288.05969	0.7
288.14581	1.6
306.15427	4.1
308.09320	1.3
322.14975	15.4
323.15308	0.5
505.96442	0.4
596.41724	6.1
774.46381	100.0
775.33490	0.5
775.46735	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	774.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31177	0.5
55.05307	0.5
55.05511	5.5
57.03437	1.4
57.07062	1.6
60.21643	0.6
65.03933	1.8
67.01862	2.1
67.05508	14.9
69.03435	36.4
69.07066	5.8
69.86557	2.8
70.06606	0.9
71.04985	1.8
71.09878	0.5
72.08152	0.9
73.02917	1.2
79.05501	11.2
81.03429	5.4
81.07064	36.4
83.04996	0.6
83.08614	2.8
84.08151	1.0
85.02916	11.1
86.09695	1.3
89.06023	2.1
91.05482	11.3
93.07050	21.9
95.04967	1.6
95.08618	26.1
97.02892	5.5
97.10175	2.3
98.06039	0.5
99.04462	30.2
105.06310	0.7
105.07037	18.4
107.08602	25.3
109.02878	3.7
109.06531	0.8
109.10165	19.1
113.02370	3.2
117.07044	2.3
119.07710	0.6
119.08588	18.5
121.10158	19.2
121.11040	1.1
123.08076	0.6
123.11710	6.7
127.03926	100.0
128.04259	0.9
129.06995	0.7
129.22731	0.5
131.08559	5.1
133.10136	10.3
134.09048	0.6
135.11703	8.5
137.13260	1.5
145.04970	18.1
145.08432	0.6
145.10135	8.2
147.11699	9.5
149.13283	10.4
157.10161	1.1
159.11703	9.7
160.09688	0.8
161.13258	9.8
163.14841	7.1
163.64246	0.5
171.11700	1.0
173.13275	4.7
175.13451	1.1
175.14812	6.7
177.16409	4.3
184.07399	2.0
187.14902	3.1
189.16400	3.7
191.17941	1.1
201.16350	5.0
203.16243	0.6
203.17943	2.5
215.17969	11.1
215.19945	0.8
229.19559	0.7
253.07072	0.6
271.08167	3.7
271.24237	14.6
289.09201	2.9
375.44571	0.6
518.97162	0.5
726.24506	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.3
55.05515	11.5
56.05042	1.9
57.03438	1.8
57.07066	3.4
58.99593	12.2
59.12701	1.0
65.03916	2.5
67.05508	27.5
69.03094	2.1
69.03436	33.2
69.07070	17.0
69.18527	10.6
70.06584	2.2
71.04983	5.0
71.08642	1.4
72.08149	1.2
73.01145	1.0
75.02708	10.1
76.02233	43.4
76.04020	2.5
77.03941	1.5
79.05502	33.2
80.05042	1.1
81.07065	100.0
82.07377	1.1
83.04980	2.0
83.06104	5.7
83.08628	5.6
84.04514	10.7
85.01125	1.2
85.02905	4.7
85.06548	2.3
86.99026	1.9
88.02213	3.3
91.05488	28.3
93.07050	66.6
95.04974	7.5
95.08614	51.2
97.02895	2.2
97.06010	1.4
97.06544	15.7
97.10165	5.4
99.02695	3.3
99.05598	2.9
99.08085	2.2
101.04242	2.2
103.03964	2.4
103.05502	2.2
105.07041	60.0
107.08602	76.3
108.08920	1.2
109.06528	13.3
109.10168	41.2
111.02667	2.4
111.08077	5.1
111.11758	3.0
113.04247	2.5
113.09681	1.1
115.02148	1.2
115.03944	1.2
115.18566	1.2
116.01694	12.8
117.07040	7.5
119.06137	1.4
119.08585	64.6
120.08104	1.2
120.08976	1.3
121.06564	2.1
121.10154	46.1
123.08059	6.9
123.11713	22.1
125.04218	1.8
125.09641	70.1
126.09922	1.4
127.11218	7.9
128.06293	1.6
129.03708	2.5
129.06532	9.8
130.05003	4.0
131.08578	13.2
133.10136	31.0
135.11699	24.8
137.09644	1.3
137.13255	1.3
139.05699	1.4
139.11176	3.8
141.07242	1.5
142.03206	2.7
142.05008	1.1
142.07785	2.8
143.08571	9.1
144.01147	9.1
144.09343	1.8
145.06126	2.6
145.10135	31.3
146.10445	1.2
147.11697	40.2
149.09666	1.7
149.13271	30.0
151.11201	22.5
153.06572	1.4
156.09375	1.6
157.10138	16.4
159.08421	1.4
159.11693	31.0
161.13268	17.4
162.02220	24.7
162.11296	1.7
163.11165	1.4
163.14827	9.6
165.07312	1.3
165.12770	4.0
167.08939	1.3
171.11678	11.1
173.13255	13.1
175.14815	12.5
177.12733	2.4
177.16409	9.6
179.04868	51.1
179.14246	1.3
185.13283	10.6
186.88361	1.1
187.05446	2.9
187.14806	11.7
189.16428	6.9
191.14337	3.0
191.17961	3.7
193.15973	2.8
195.17458	1.7
199.14848	15.1
201.16394	15.5
203.17969	24.3
205.15897	3.0
207.17427	1.2
213.16394	20.6
215.17902	2.7
217.15886	4.1
217.19472	1.6
219.17334	2.4
227.17886	7.1
229.19536	4.7
233.05862	9.0
241.19431	2.3
269.22653	34.3
287.23709	38.5
288.23825	1.4
308.09131	13.5
319.20911	5.0
322.14972	2.7
362.25101	8.3
416.27911	2.2
447.26859	22.5
465.27847	15.3
519.28918	25.7
528.41351	1.2
576.31042	3.0
594.32111	55.6
595.32288	2.9
774.46326	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	773.5197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.4
55.05516	27.2
57.03453	12.9
57.07062	2.8
59.05005	5.2
61.02936	12.7
65.03931	7.3
67.05509	80.0
69.03426	10.9
69.07079	23.9
69.21362	17.1
69.21789	8.2
71.04971	4.3
71.08621	2.7
73.02932	6.4
73.58158	2.7
75.78238	2.6
79.05074	4.5
79.05500	63.1
81.03423	5.0
81.07065	78.6
83.08639	13.7
85.02898	16.8
86.09714	3.1
91.03949	7.4
91.05493	58.3
93.06483	5.1
93.07051	73.6
95.04968	7.9
95.08611	57.8
97.02898	10.9
97.06528	6.9
97.10178	7.4
99.04471	2.9
101.02431	4.0
105.07035	56.2
107.04948	4.0
107.08607	40.9
109.02856	2.9
109.06522	5.8
109.10172	24.3
115.05431	3.5
117.05640	2.7
117.07030	24.1
119.08582	48.7
121.10152	36.5
123.11742	7.8
125.00016	4.2
125.09629	4.4
127.03934	4.3
128.06245	4.8
129.07039	13.5
131.08585	37.4
133.10155	40.0
135.11705	26.2
143.08568	18.1
145.10133	35.8
147.11719	30.1
149.09621	5.8
149.13318	15.0
151.11182	3.0
155.08551	10.1
157.10158	20.2
159.11700	29.1
161.09583	2.8
161.13280	21.6
167.08530	3.9
169.10097	7.6
171.11678	14.9
173.13315	20.5
175.14836	9.6
181.10069	4.2
183.08134	2.6
183.11707	9.6
184.07326	13.1
185.09657	2.9
185.13264	17.8
187.14784	7.9
195.11720	4.2
197.13298	8.6
199.14832	10.4
201.16354	6.8
202.58170	2.7
209.13222	3.5
211.14931	4.9
213.16331	3.2
215.18033	3.1
231.21092	4.0
239.18050	3.9
241.19450	14.6
257.18964	3.5
259.20605	43.3
261.22119	9.2
275.20084	3.4
301.21750	4.3
315.23004	4.8
331.22763	2.8
333.24368	30.9
335.25803	58.8
352.06851	2.9
367.22589	3.3
441.26251	5.2
511.61615	2.7
519.41754	5.9
537.43219	3.3
541.39069	3.6
593.46039	13.2
601.44299	3.6
609.44812	4.7
611.46698	100.0
612.47034	6.9
701.47491	6.6
719.48615	6.3
737.50018	4.0
755.50812	5.0
770.77869	3.3
773.52551	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	773.5194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.4
55.05515	31.9
57.03436	17.4
57.07071	9.1
59.04999	4.4
61.02917	14.0
63.14648	2.9
65.03926	4.9
67.05509	97.8
69.03424	12.0
69.07073	33.0
71.04991	7.5
71.08611	4.1
73.02919	9.2
74.91367	2.9
79.05499	91.2
79.19284	2.9
80.05844	3.2
81.03420	11.1
81.07063	98.7
83.04993	9.3
83.08623	12.9
85.02906	19.3
86.09708	8.5
87.04517	3.5
89.06069	3.6
91.03975	6.7
91.05489	77.8
93.06480	6.4
93.07048	88.5
95.04974	12.0
95.08607	73.5
96.08966	3.5
97.02897	15.7
97.06516	6.4
97.10197	5.8
98.20797	7.2
99.08084	4.9
103.03940	4.8
105.04523	4.0
105.07036	74.4
106.70542	3.2
107.04943	5.5
107.08608	42.9
109.02849	3.5
109.06510	4.6
109.10184	22.6
111.08099	4.3
115.05463	5.9
117.07010	32.3
119.08582	60.3
121.06509	4.0
121.10158	41.0
123.08070	4.9
123.11703	9.5
124.99944	5.3
125.09616	4.6
128.06235	6.5
129.07008	19.1
130.07771	3.7
131.08589	43.5
133.10144	47.6
135.11676	25.9
141.07024	4.3
142.07788	4.1
143.08575	17.0
144.09370	3.9
145.10123	37.5
147.11685	38.4
149.13269	12.9
155.08560	5.8
157.10133	26.8
159.11678	27.9
161.13252	26.7
162.36810	3.3
163.14813	8.2
169.10132	12.4
171.11725	18.7
173.13266	19.7
175.14828	15.0
181.10219	4.7
183.11719	11.0
184.07355	18.5
185.07800	4.2
185.09557	5.0
185.13301	15.6
187.14810	9.0
197.13324	6.8
199.11255	3.5
199.14836	11.7
201.16289	5.1
211.14833	7.8
213.16435	9.0
224.83105	3.1
225.16386	4.6
227.17975	3.9
229.19293	3.4
231.21213	4.8
241.19537	25.9
243.21042	4.9
257.18964	8.7
259.20587	46.5
261.22202	10.6
275.20325	3.8
301.21475	6.2
313.21902	3.5
315.23196	3.4
331.22702	3.6
333.24332	31.8
335.22055	5.8
335.25830	68.1
345.82437	2.9
385.23898	5.1
519.41888	5.5
521.51501	3.0
593.45520	9.0
601.44867	3.6
611.46759	100.0
612.46692	3.7
614.48608	6.7
621.27142	4.5
622.27472	11.9
719.48798	4.7
737.49762	6.6
773.51074	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	773.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.4
57.03425	0.5
61.02646	0.1
61.02922	1.0
68.99799	0.2
69.03436	1.9
70.46651	0.6
71.01303	0.1
73.02909	0.4
76.40821	0.2
81.03416	0.8
85.02912	7.4
85.26643	0.2
88.30624	0.2
91.03947	0.5
97.02902	2.6
98.20778	0.3
99.04428	0.3
105.24592	0.2
109.02905	0.8
111.00789	0.5
117.50806	0.2
121.02885	2.2
127.03941	1.6
133.02847	0.3
137.02361	0.5
145.04980	1.6
145.06120	0.2
145.06491	0.2
147.04427	0.4
153.01843	2.3
157.06465	0.2
163.06041	0.3
165.01849	1.3
183.02856	0.7
185.05992	0.3
189.05423	0.3
213.05495	0.9
231.06508	0.5
241.04961	0.7
258.05087	0.9
259.05957	0.3
269.04459	0.2
287.05508	100.0
288.05884	2.8
299.05661	0.2
329.06580	0.8
333.12357	0.2
404.29852	0.2
431.09872	0.3
449.10849	12.9
450.11206	0.5
494.00854	0.2
604.30383	0.2
732.84418	0.2
775.95966	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.5
57.03427	2.7
57.07059	1.6
59.05008	12.6
61.02930	7.5
67.05511	5.8
69.03432	3.6
69.07070	2.0
69.35693	1.2
71.50648	1.1
71.51044	1.1
73.02918	4.8
79.05504	2.1
80.63091	1.0
81.03426	2.3
81.07072	6.4
83.08634	3.9
85.02905	5.7
86.09711	3.5
87.04458	1.9
87.09097	1.3
89.06048	1.1
91.03960	3.5
91.05486	1.9
91.34541	1.0
93.07059	3.9
95.08619	5.0
97.02888	6.1
97.06538	1.3
97.10192	1.3
101.02377	2.6
107.08593	2.5
109.10197	2.1
115.03960	1.3
117.09132	1.3
120.12612	1.1
121.10146	2.3
121.55820	1.0
125.00007	2.1
127.03973	1.9
135.11673	2.0
175.13260	1.5
184.07343	8.9
233.90295	1.1
243.08527	2.1
249.80515	1.3
493.27747	1.5
495.29413	9.8
519.29523	3.7
750.69531	1.3
773.51740	100.0
774.52191	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	773.2133
Annotation	LMPK12111744
Peak:m/z	Relative Intensity
55.01864	0.2
57.03414	0.5
61.02934	3.8
68.99792	0.3
69.03426	1.4
69.14606	1.1
69.15018	0.7
73.02927	1.1
81.03410	0.6
85.02913	6.4
91.03960	3.2
93.52200	0.2
97.02906	2.5
99.04438	0.2
105.03365	0.2
109.02879	0.6
111.00805	0.6
115.03899	0.2
121.02875	2.3
127.03954	1.2
133.02863	0.7
137.02362	0.6
145.04950	1.3
147.04411	0.5
153.01846	2.6
157.06454	0.3
163.06042	0.8
165.01830	1.4
183.02921	0.7
185.05945	0.4
197.06082	0.2
213.05467	1.2
213.07236	0.2
226.25813	0.2
231.06538	0.7
241.04933	0.6
258.05280	0.8
259.06052	0.3
269.04507	0.2
287.05524	100.0
288.05869	2.9
299.05530	0.8
329.06604	1.0
353.06458	0.6
396.51294	0.2
449.10858	12.0
450.11075	0.7
800.26025	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.5723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.8
56.05045	3.3
57.03437	0.6
57.07088	2.1
58.02962	0.4
60.04531	61.3
67.05508	3.0
69.07079	3.0
70.06609	0.7
71.05014	0.4
71.08639	1.2
71.11157	0.5
72.04517	0.7
74.06088	1.8
74.65220	0.3
76.75212	0.3
79.05503	1.9
81.07072	2.9
82.06588	0.6
83.04974	0.7
83.08619	2.2
85.10189	1.0
86.06077	1.0
88.07641	1.0
90.05608	0.5
91.05495	0.5
93.07055	1.6
95.08632	2.7
96.08153	0.7
97.06557	0.4
97.10179	1.2
107.08614	0.7
109.10144	0.7
111.11726	0.5
116.43679	0.3
118.08636	0.4
121.10162	0.8
123.11708	0.3
135.11720	0.4
192.44826	0.4
211.35492	0.3
252.26933	1.8
252.41371	0.4
254.28491	0.9
256.26367	0.4
264.26932	2.1
265.25360	0.6
270.27908	3.2
282.27957	9.9
300.29004	10.5
316.28510	2.4
317.28903	1.9
318.30048	100.0
319.30399	2.6
496.51181	0.3
624.67743	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.5491
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19844	0.2
56.05034	0.8
57.07061	0.3
58.06609	0.4
59.05002	0.7
60.08168	6.9
67.05508	0.4
68.41209	0.2
69.07061	0.3
70.06617	0.3
71.07378	3.8
71.50850	0.3
73.67002	0.2
79.05505	0.4
81.07050	0.5
81.87803	0.2
83.08628	0.4
86.09712	31.7
88.67521	0.2
89.06083	0.2
93.07047	0.5
95.08599	0.4
98.98466	4.2
98.99059	0.4
101.06030	0.2
104.10746	3.0
109.10146	0.2
110.06065	0.3
110.07168	0.6
123.11740	0.2
124.56957	0.2
125.00011	20.7
173.32646	0.2
182.29671	0.2
184.07350	100.0
185.07646	0.5
313.27322	0.3
353.78967	0.3
516.01373	0.2
657.27075	0.2
708.40649	0.2
761.83813	0.2
772.55096	6.2
773.54449	0.4
785.29626	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.6
55.05512	7.7
56.02197	0.6
56.95761	0.6
57.03434	1.5
57.07073	2.3
58.27122	0.6
59.04993	2.0
60.08146	0.9
61.50387	0.6
62.06097	1.1
65.03934	1.8
67.05509	23.4
69.03405	1.7
69.07073	8.4
71.07352	0.9
71.50734	0.8
79.05499	13.0
80.05872	0.7
81.03416	2.3
81.07060	40.9
82.07380	0.6
83.05001	3.9
83.05413	0.6
83.08629	3.8
85.06557	1.1
86.09718	5.5
89.06023	1.6
91.05480	8.1
93.07043	11.7
95.04974	1.6
95.08619	18.5
96.08912	1.1
97.02931	0.8
97.06525	2.8
97.10171	1.8
98.05397	0.6
98.06050	0.7
98.98456	1.1
105.07033	8.1
107.08610	6.3
109.06519	9.3
109.10160	6.4
111.04457	17.0
111.08093	1.3
117.07014	1.6
117.09168	0.8
119.08595	8.1
121.10164	5.9
123.08066	2.4
123.11709	3.3
124.99986	3.4
125.06010	3.8
129.06947	1.1
131.08585	3.5
133.06583	0.7
133.10143	6.6
135.08055	3.3
135.11694	4.7
137.05986	100.0
137.13255	2.5
138.06355	1.4
140.96465	0.7
142.07782	1.0
143.08563	1.4
145.10155	2.8
147.08015	2.0
147.11688	6.5
149.09637	4.4
149.13254	2.1
151.07533	2.7
151.11180	2.0
155.08530	0.8
157.10146	1.8
159.11641	2.0
161.09639	7.3
161.13272	2.8
163.11165	4.1
163.14867	1.2
165.09096	2.5
165.12807	0.9
171.11725	2.0
173.04520	0.7
175.11217	4.4
175.14824	1.3
177.09029	0.8
177.12787	0.9
179.10678	2.1
184.07339	19.1
189.12810	1.6
193.12244	1.5
197.13333	1.0
200.10754	0.7
203.14319	0.7
203.17969	7.0
205.19525	0.7
213.16458	3.3
221.18942	1.6
231.17458	7.8
249.18561	6.8
275.20087	0.8
276.19965	1.1
277.18018	54.2
278.18350	1.4
295.19025	7.5
306.27985	2.2
320.22073	5.6
337.27426	16.0
338.27963	0.7
351.21695	9.7
431.18491	0.9
460.28250	1.0
546.38330	1.1
613.44659	81.2
614.45081	4.4
631.45636	13.6
754.46881	1.3
772.48315	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.5
55.05506	2.1
57.03455	2.3
57.07068	0.9
59.05008	3.4
60.08167	0.9
61.02930	5.5
67.05509	7.6
69.03431	3.9
69.07061	1.8
69.93680	1.8
71.05012	0.8
71.08623	0.5
73.02920	4.4
73.06561	0.7
79.05505	3.3
81.03423	2.0
81.07059	8.7
83.05000	0.5
83.08629	1.4
85.02909	5.6
86.09698	2.3
87.04469	0.6
91.03969	3.9
91.05492	2.9
93.07050	3.4
95.08617	4.1
97.02895	5.6
97.06528	0.7
97.53033	0.4
99.04446	0.7
99.08128	0.6
101.02403	1.7
103.03960	0.9
105.07019	1.0
107.08588	2.2
109.02890	1.0
109.10175	1.9
114.61832	0.5
117.09142	1.2
119.08592	1.2
121.10156	1.4
123.11706	0.7
125.00031	1.7
127.03930	1.4
133.10162	0.9
134.93970	0.4
135.11649	0.7
147.11694	1.1
151.37967	0.4
161.13408	0.7
184.07370	5.9
243.08524	1.8
279.77283	0.5
309.24301	0.5
318.25113	0.4
347.25992	1.2
493.27689	9.9
497.30511	0.5
519.29297	4.6
659.52246	0.6
771.50183	100.0
772.50494	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	769.4862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
55.05510	1.6
55.73550	0.5
57.03436	1.8
59.05002	0.7
61.02932	7.2
65.03912	0.4
66.99760	0.5
67.05222	0.6
67.05515	5.8
69.03441	3.5
69.07062	1.4
70.63665	0.9
71.04978	0.6
71.51679	0.5
73.02927	5.7
79.05501	6.4
81.03407	1.6
81.07059	6.4
83.08607	0.9
85.02914	6.2
86.09660	0.7
87.04449	0.5
91.03951	3.9
91.05486	3.2
93.07058	5.9
94.12833	0.5
95.04993	1.1
95.08617	4.5
97.02896	6.4
99.04516	0.8
101.02422	2.4
103.03934	0.8
105.07043	2.1
107.08605	1.7
109.02891	0.7
109.10186	2.1
115.03970	0.6
117.07091	0.6
119.08582	1.4
121.10136	2.6
121.49437	0.5
127.03942	2.0
131.08607	1.2
135.11700	1.0
145.04916	0.6
145.10147	0.9
147.11761	0.7
159.11778	0.7
184.07443	0.6
243.08484	1.9
335.25961	0.6
491.26221	10.2
519.29437	3.2
769.48639	100.0
770.48944	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	768.5622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	34.3
57.03444	17.8
57.07088	12.2
59.05002	24.8
60.08167	3.4
61.02927	4.2
65.03938	5.6
67.05511	89.9
69.03454	2.2
69.07073	48.1
71.04983	2.1
71.08632	5.7
71.24425	3.9
79.05495	40.2
81.07063	100.0
83.04988	1.9
83.08629	30.9
85.02908	6.0
85.06548	5.2
85.10178	3.2
86.09702	4.4
91.05492	24.0
93.07054	39.5
95.04969	3.8
95.08615	66.1
97.02908	2.5
97.06551	6.9
97.10194	12.4
99.08106	3.6
102.15185	1.8
105.07022	17.6
107.08596	21.8
109.10172	28.3
111.08105	3.8
111.11695	1.8
113.09663	2.1
117.07040	3.4
117.09126	2.7
119.08605	15.5
121.10146	21.1
123.11707	12.7
125.00025	3.6
125.09698	2.0
131.08624	3.4
133.10149	20.1
135.11682	16.9
137.09668	2.8
137.13240	6.2
138.43129	2.0
139.11217	2.2
145.10152	5.9
147.11714	7.5
149.13269	9.1
151.10999	1.7
159.11667	5.3
161.13286	6.3
163.14828	5.2
173.13304	4.3
175.14859	3.6
184.07384	14.7
195.00333	7.1
205.19528	2.2
215.17963	3.0
217.19568	7.0
219.21059	2.2
233.19063	3.0
235.20673	6.1
237.22195	2.1
243.21194	5.1
245.22711	2.9
261.22144	14.2
263.23782	3.2
307.22556	2.3
309.24252	49.8
311.25839	39.7
317.24948	2.7
335.25806	31.6
337.23291	2.9
337.27393	57.1
339.28857	3.2
473.50369	2.4
497.43054	3.9
571.47223	47.2
589.48297	15.8
724.12854	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	768.5623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05275	3.0
55.05516	38.0
57.03445	15.8
57.07083	14.8
57.26013	1.5
59.05009	20.0
60.08149	3.0
61.02925	4.9
65.03918	2.3
67.05511	75.8
69.04398	1.6
69.06738	3.1
69.07077	39.0
71.04996	2.5
71.08629	3.7
71.17713	4.3
72.95058	1.6
74.99288	1.5
79.05086	2.1
79.05500	35.3
81.07064	86.7
83.04977	2.8
83.08632	34.4
85.02923	3.9
85.06550	3.5
85.10203	2.3
86.09694	3.3
91.03957	2.9
91.05492	19.7
93.07055	51.4
95.04953	2.0
95.08615	58.9
96.08961	2.0
97.06525	6.1
97.10166	11.4
99.08089	4.4
105.07033	13.7
107.08604	26.1
109.06483	2.7
109.10164	22.1
111.08067	2.4
111.11707	1.8
113.09618	2.5
114.77328	1.6
117.07021	4.0
117.09156	3.3
119.08611	9.1
121.10159	34.4
123.11695	12.0
124.99998	1.9
125.09635	4.2
131.08583	6.9
133.10139	9.1
135.11707	21.8
137.13240	6.4
139.11159	2.2
145.10146	6.3
147.11694	5.8
149.13290	10.0
151.14819	1.6
159.11691	5.3
161.13240	6.1
163.14839	6.0
173.13283	5.8
175.14850	1.9
177.16374	2.0
184.07355	9.1
187.14787	2.9
194.16246	1.9
195.00288	5.5
217.19516	2.0
219.21091	4.2
222.78215	1.8
235.20483	3.2
237.22121	6.3
243.21074	5.9
261.22119	26.4
289.37717	1.7
308.22260	1.6
309.24191	13.0
311.25821	100.0
312.26282	3.4
317.24789	3.8
322.77884	1.4
335.25827	79.1
336.26202	2.5
337.27432	12.6
373.75528	1.8
497.43497	3.4
571.47278	37.0
589.48206	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	766.5466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.9
55.05520	27.8
57.03185	2.1
57.03447	19.0
57.07076	7.7
58.89845	1.1
59.05000	3.4
61.02927	4.7
62.62485	1.2
65.03947	4.7
67.05514	95.4
69.03448	1.8
69.07075	32.0
71.04979	1.6
71.08646	2.7
71.15115	3.1
71.89528	1.5
78.42773	1.3
79.05505	48.5
81.03479	1.6
81.07066	100.0
83.04968	1.8
83.08627	15.9
83.48334	1.4
85.02898	4.3
85.06548	4.3
85.78534	1.1
91.03960	1.7
91.04925	2.0
91.05489	31.8
93.07057	51.6
95.04970	3.5
95.06633	1.3
95.08618	67.1
97.02902	1.3
97.06531	3.2
97.10191	5.1
99.08109	6.7
105.04570	1.5
105.07035	22.4
107.08608	26.2
109.06527	2.7
109.10174	28.8
111.08131	3.3
113.09666	2.1
117.07045	7.2
119.08603	22.3
121.10155	23.7
123.08142	1.8
123.11716	11.0
124.26872	1.3
124.99969	1.6
125.09613	1.5
127.46232	1.3
129.07030	1.8
131.08571	12.8
133.10159	19.5
135.11710	21.5
137.09636	2.7
137.13246	4.9
143.08614	1.6
145.10130	9.1
147.11708	12.2
149.13290	10.1
151.14856	1.6
153.12738	1.2
157.10158	2.6
159.11726	9.9
161.13310	6.7
163.11192	1.5
163.14888	5.6
173.13298	5.8
175.14865	3.8
179.14420	1.5
184.07401	4.0
185.13307	3.0
187.14897	2.9
191.18060	1.8
201.16397	2.9
205.19466	2.5
213.16586	1.6
215.18007	4.8
217.19472	10.0
233.19034	4.2
235.20593	6.9
241.19604	2.6
243.21176	6.6
259.20615	5.9
261.22223	14.5
307.22815	4.1
309.24274	85.5
310.24661	2.0
311.25964	3.9
317.24860	3.1
333.24521	2.1
334.24420	1.3
335.25842	82.2
336.26270	3.3
337.27402	5.8
339.29474	1.5
430.09561	1.5
445.11703	1.3
477.40466	1.9
495.41846	4.2
513.43231	1.7
569.45691	29.0
587.39209	1.7
587.46930	15.8
588.46698	1.9
774.48370	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	766.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.5
55.05517	17.0
57.03430	3.5
57.07081	2.1
58.74240	1.3
59.05012	2.2
61.02935	3.1
65.03942	4.7
67.05516	36.7
69.03444	15.6
69.07075	12.8
70.03668	6.2
70.06613	1.9
71.04999	4.8
73.02927	1.7
77.03927	2.3
79.05507	41.9
79.27438	1.2
81.03432	14.3
81.07069	83.8
83.04977	6.0
83.08646	6.7
85.02923	27.4
85.06546	4.1
87.00846	7.4
87.04496	1.8
91.05493	58.8
93.07056	100.0
95.04989	13.8
95.08620	66.6
97.02901	18.0
97.06529	4.9
99.04476	6.6
103.05473	2.9
105.01876	6.7
105.04510	3.8
105.07050	81.4
107.08611	68.1
109.02907	8.8
109.06544	9.2
109.10167	28.7
111.08105	12.4
115.05511	1.6
116.06272	1.7
117.07035	11.8
119.06039	1.5
119.08601	56.3
121.06528	1.5
121.10158	36.5
123.08071	4.8
123.11730	9.1
125.09642	16.8
127.03937	19.2
128.06250	2.9
129.07037	7.9
130.07790	3.6
131.08592	21.2
133.10152	32.9
135.08080	2.3
135.11725	17.7
137.09613	4.2
139.11172	1.2
141.06937	1.6
142.07785	4.7
143.08606	12.9
144.09315	4.1
145.04964	8.2
145.10144	33.9
147.11722	27.4
148.92719	1.3
149.09639	5.2
149.13283	11.8
151.11197	6.6
155.08545	4.0
156.09363	4.3
157.10172	12.8
159.02924	2.6
159.11702	24.9
161.09636	2.1
161.13284	21.9
163.11201	3.0
163.14835	3.8
165.12759	1.5
169.10149	4.2
171.11774	11.0
173.13264	11.4
175.14824	10.9
177.12788	1.5
177.16451	2.5
183.11786	2.1
185.13271	8.7
187.14925	6.5
189.16414	4.9
191.14346	1.4
197.13321	2.5
199.14870	7.7
201.16420	10.7
211.14726	1.6
213.16397	10.6
217.15862	1.8
219.17535	1.3
227.18010	4.9
229.19507	6.1
231.05032	3.5
233.91817	1.5
241.19504	1.7
249.06212	3.1
269.22696	20.3
287.23596	7.1
461.01526	1.3
472.80197	1.3
516.91223	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	766.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.8
55.05264	1.7
55.05513	17.6
56.05028	4.8
57.03432	2.3
57.07055	1.8
57.32240	1.1
58.06593	1.8
58.78836	1.0
58.99606	1.2
59.05005	2.1
59.60945	0.9
60.04527	2.3
61.02922	2.7
61.18951	1.0
65.03939	4.4
67.05508	31.9
69.03436	12.0
69.07077	17.1
70.02957	1.7
70.06596	57.5
71.04989	3.9
71.06923	2.2
71.50265	1.4
72.08157	26.4
73.08467	1.1
74.06066	1.3
76.02235	1.7
79.05499	45.4
81.03439	5.3
81.07063	100.0
82.06608	1.1
82.07391	1.1
83.04992	6.4
83.06102	1.8
83.08623	7.7
84.04510	14.1
84.08148	26.4
85.02913	20.7
85.06548	4.2
86.00658	3.0
86.09711	33.6
87.04462	1.6
87.05618	1.4
87.10062	1.9
88.03990	6.1
91.03996	1.2
91.04916	1.5
91.05488	36.8
93.07050	57.3
95.04961	10.7
95.06145	1.1
95.08612	43.8
96.08159	1.2
97.02882	7.4
97.06520	8.3
97.10169	2.4
98.06056	1.5
99.02693	1.1
99.04468	1.9
99.08094	1.4
100.11256	3.6
101.07143	4.1
102.05544	4.7
103.05487	4.1
104.14954	1.1
105.04510	2.6
105.07040	63.0
107.04946	3.8
107.08597	66.3
109.02911	2.4
109.06549	7.3
109.10163	30.9
110.06081	1.5
110.07188	8.8
111.08111	2.9
112.03933	2.1
115.05492	2.6
115.08705	1.6
116.07053	1.2
117.07031	14.2
118.08664	2.7
119.04961	2.8
119.06113	1.4
119.08589	61.5
120.08113	14.8
121.06542	5.1
121.10155	19.8
122.02728	11.6
123.04456	1.6
123.08064	28.3
123.11726	11.1
125.06008	1.5
125.09628	9.6
127.03913	4.9
128.06239	2.9
128.78477	1.2
129.07022	8.9
129.10248	18.4
130.06561	1.8
130.07800	3.9
131.08582	26.8
132.01144	4.4
132.08076	1.4
133.06512	2.4
133.09134	1.4
133.10139	33.0
135.08078	13.3
135.11699	47.3
136.07588	4.5
136.12042	1.2
137.09630	4.8
137.13200	2.3
139.08719	1.4
140.07104	1.8
141.07004	3.1
141.10237	4.4
142.07761	8.8
143.08577	22.3
143.28561	1.2
144.09346	2.8
145.05026	2.5
145.10129	38.6
147.04387	1.6
147.08037	4.5
147.11705	20.6
149.09627	8.4
149.13272	10.0
151.11221	3.1
153.09105	18.3
153.10269	0.8
155.08516	9.5
156.09360	3.9
157.10129	22.5
159.07977	1.7
159.11696	45.9
161.09659	5.8
161.13283	13.1
163.11205	9.2
163.14841	11.9
167.08580	2.2
168.09317	1.5
168.17511	2.2
169.10123	12.4
170.10991	1.3
171.11703	14.6
172.10872	2.5
173.09702	1.3
173.13274	15.9
175.11171	9.8
175.14859	9.8
176.09207	1.9
177.12752	7.3
181.10040	2.1
181.12241	2.2
182.10889	1.9
182.15472	1.4
183.11687	8.4
183.15063	1.3
184.12439	1.3
185.13287	15.9
187.11194	1.8
187.14854	10.7
189.12761	5.0
189.16348	2.6
191.14297	5.2
193.15805	5.2
195.11566	1.5
197.13228	9.0
199.14812	10.4
201.12729	3.1
201.16394	6.5
203.14349	4.0
205.15907	4.6
207.13855	7.2
209.15390	3.5
211.14816	13.1
213.16461	2.2
215.13921	6.6
215.17976	1.6
217.15823	6.8
219.17461	2.9
225.16403	6.1
227.17920	9.1
229.15872	5.2
230.08342	1.2
235.16878	7.4
239.17999	2.5
241.19611	2.6
243.13420	7.2
243.21140	2.2
255.21179	1.6
257.19302	1.1
257.22659	5.0
267.21097	20.0
283.14020	3.0
285.22134	52.4
286.22562	1.7
297.19336	1.2
297.52756	1.2
303.23181	43.2
308.22711	1.1
316.18115	1.3
386.70786	1.5
406.24185	8.7
424.25186	70.8
425.25317	3.1
465.28604	1.9
517.40289	1.2
550.28290	2.2
568.29498	3.4
586.30487	35.4
587.30536	2.3
604.32690	4.2
719.30994	1.5
765.57977	2.0
766.37067	1.9
766.57813	3.3
766.72278	1.3
772.41278	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	766.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.1
55.05511	9.7
57.03442	1.9
61.02922	1.6
65.03933	3.1
67.05505	21.4
67.73777	1.0
69.03430	7.0
69.07068	9.6
70.06604	9.6
70.88155	0.8
71.04979	1.6
71.06920	0.9
71.23087	2.0
71.23456	1.2
72.08148	3.2
74.06068	0.9
79.05495	28.3
81.03410	2.9
81.07057	100.0
83.05003	1.2
83.08613	3.1
84.04494	2.4
84.08150	4.7
85.02903	17.9
86.09690	3.8
87.04504	1.1
91.05485	21.7
93.03430	1.3
93.07043	40.8
95.04955	4.8
95.08609	35.0
95.81963	0.8
97.02898	5.3
97.06527	1.9
97.10188	1.1
98.06068	1.1
99.37276	0.9
103.05457	1.2
105.04526	1.4
105.07034	46.3
107.04951	1.6
107.08599	29.4
109.06533	10.0
109.10157	18.2
110.07117	1.1
111.08070	9.7
115.05463	1.2
117.07033	7.7
119.08585	31.2
120.08089	3.4
121.06505	4.5
121.10152	15.0
122.02715	2.4
123.08080	3.2
123.11694	3.7
127.03923	3.0
128.06224	1.5
129.07002	5.0
129.10231	2.0
130.07776	1.7
131.08572	20.0
133.06474	2.6
133.09122	1.8
133.10136	31.5
135.08043	1.2
135.11693	32.3
137.06026	1.3
137.09601	4.1
141.06967	2.3
142.07768	3.8
143.08556	14.6
144.09319	1.7
145.04942	3.1
145.10129	21.3
147.08020	2.5
147.11697	17.6
149.09616	1.9
149.13248	7.4
151.11188	12.3
155.08519	6.8
156.09320	1.6
157.10120	15.4
158.10892	1.5
159.11696	14.3
161.09586	4.6
161.13242	9.7
163.11172	2.2
163.14812	3.1
165.12784	0.9
169.10106	5.7
170.10870	1.3
171.11684	11.7
173.09595	1.7
173.13281	11.3
175.11188	3.1
175.14835	21.5
177.12807	5.5
177.16359	3.0
183.11708	7.5
185.13248	14.4
186.14133	1.0
187.11314	1.0
187.14809	10.6
189.12712	8.5
189.16385	3.1
191.14294	4.9
193.15892	8.5
197.13280	8.8
199.14830	11.4
200.84621	1.0
201.16341	5.5
203.14272	8.9
204.15106	15.8
205.15875	6.8
207.13869	1.1
209.13483	0.9
209.15413	3.1
211.14798	7.3
215.14346	3.1
215.17986	1.4
217.15900	6.7
221.15361	3.7
225.16447	5.8
226.52838	0.9
227.17938	9.7
229.15903	3.2
229.19453	7.6
239.18011	2.9
241.19595	1.3
243.21095	1.7
245.19031	19.2
255.21004	1.1
257.22620	4.2
267.21094	28.7
285.22131	30.8
303.23184	45.9
304.23474	2.9
388.23450	1.1
395.20486	2.9
424.25162	2.8
465.28510	3.0
685.59302	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80568	1.7
54.88376	1.5
55.01875	3.6
55.05518	26.8
57.03444	11.1
57.07074	7.3
58.47564	1.6
59.04994	1.9
65.03943	4.6
67.05508	93.3
69.03429	11.5
69.07072	22.1
70.06596	3.5
71.04993	6.5
71.50884	3.2
79.05499	81.6
81.03424	13.2
81.07062	100.0
82.93790	1.6
83.04988	6.6
83.08623	12.3
85.02908	10.3
85.06548	8.5
91.05487	53.3
93.07050	94.6
94.07394	1.7
95.04972	10.6
95.08616	70.1
97.02889	7.5
97.06546	7.6
97.10191	2.8
99.04441	2.4
99.08097	5.7
100.84395	1.5
103.03933	1.9
103.05496	1.6
105.04502	4.1
105.07039	43.6
107.04937	3.4
107.08601	50.8
109.02902	2.8
109.06505	4.8
109.10166	39.5
111.04455	2.0
111.08065	6.1
113.09650	2.6
116.07092	4.2
117.07013	21.4
119.08595	35.8
121.10150	58.9
123.08100	4.1
123.11710	16.7
125.09649	3.5
126.00314	1.9
127.03937	4.3
129.07040	11.2
131.08572	37.4
133.06548	2.2
133.10149	34.6
135.08034	3.6
135.11705	47.4
137.05968	2.0
137.09645	4.4
137.13249	5.9
139.11223	2.2
142.07764	2.1
143.07555	1.7
143.08521	8.9
145.05023	4.5
145.06409	2.7
145.10123	30.0
147.11684	23.0
149.09624	5.2
149.13283	26.2
151.11189	3.3
155.08571	2.6
157.10141	7.0
159.11697	25.5
161.09610	2.5
161.13300	14.1
163.11203	4.7
163.14827	4.6
165.09029	1.8
167.10670	1.9
169.10094	3.4
171.11687	6.4
173.13257	23.1
175.11166	2.8
175.14835	5.9
177.12808	5.1
179.14249	2.6
181.10216	3.0
183.11702	3.2
185.13313	4.0
187.11212	2.1
187.14796	11.5
189.09267	1.7
189.12831	2.4
189.16452	2.5
197.13367	3.1
199.14909	2.5
205.19551	7.4
209.13374	2.5
211.79266	1.7
213.12660	2.8
215.14546	2.3
215.17975	52.9
216.18314	1.9
223.14850	2.1
233.19029	45.2
241.19452	2.2
243.21045	4.5
259.20499	2.6
261.22156	20.2
273.22058	2.2
277.21603	2.4
287.20053	1.8
289.21494	2.5
301.21570	1.9
303.23151	6.3
307.22757	15.7
313.21738	2.0
315.23053	2.6
325.23724	9.8
335.25757	3.1
340.77539	1.8
351.23184	3.4
369.24304	9.8
387.25296	7.2
405.26517	10.3
423.27530	3.4
520.48792	1.8
523.37146	2.0
724.09070	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	764.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.6
55.05516	23.8
57.03444	16.6
57.07075	2.9
61.02929	4.2
65.03938	4.5
67.05510	100.0
69.03437	3.6
69.07073	23.7
71.04984	3.6
71.12079	4.6
72.62228	1.9
78.49171	1.9
79.05499	83.5
81.03410	2.1
81.07064	94.4
83.04976	2.4
83.08622	8.8
85.02903	6.8
85.06534	4.4
91.05487	47.5
93.07053	96.0
95.04986	6.5
95.08615	71.8
97.06516	5.8
97.10166	3.6
99.08112	4.1
103.05459	2.0
105.07040	38.4
107.08604	42.2
109.06549	2.4
109.10168	33.1
111.08095	3.6
112.10000	2.0
117.07013	12.1
119.08598	24.7
121.10155	40.1
123.11697	10.9
129.06998	5.5
131.07704	3.1
131.08586	21.6
133.10132	25.2
135.11696	33.7
137.13298	4.5
142.07732	2.3
143.08582	4.8
145.10143	21.7
147.11725	16.5
149.09506	2.1
149.13252	16.3
157.10135	3.2
159.11723	15.7
161.13269	9.6
163.11200	2.0
163.14816	4.9
165.12750	2.9
170.20627	2.1
171.11720	4.2
173.13287	14.6
175.14859	5.6
185.13318	2.4
187.14854	5.2
189.16479	3.0
201.16309	2.4
205.19556	1.9
213.16437	5.9
215.17979	17.9
215.40575	2.0
231.17462	5.5
233.19048	13.7
241.19556	3.9
243.21078	4.4
248.94362	2.0
259.20590	5.3
261.22144	11.7
305.21146	3.1
307.22717	78.9
308.23016	3.1
309.24225	6.8
317.24780	2.1
333.24194	3.0
335.25842	72.8
336.26138	3.5
337.27405	4.3
389.73395	2.1
493.40347	3.0
527.48730	2.3
567.43878	16.1
585.44836	10.3
729.78687	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	762.4919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03973	0.2
55.05518	0.5
56.05035	0.9
57.03440	0.4
57.07063	0.1
58.06366	0.3
58.06630	0.4
59.05008	1.9
59.23328	0.1
60.08168	6.2
67.05508	1.1
69.07072	0.4
69.29105	0.3
69.29525	0.8
69.30532	0.1
70.06588	0.8
70.06925	0.1
71.04990	0.1
71.07379	3.7
71.08629	0.2
79.05492	0.7
81.03423	1.0
81.07066	1.5
83.04970	0.2
83.08628	0.5
85.02902	0.2
86.09711	31.2
87.10018	0.3
91.05487	0.5
93.07047	0.7
95.04976	0.3
95.08591	0.8
97.02875	0.2
97.06516	0.2
98.98472	3.6
104.10744	1.9
105.03396	0.2
105.07027	0.4
107.08633	0.2
108.99875	0.1
109.10141	0.2
116.28992	0.1
117.09127	0.5
119.08572	0.3
121.10165	0.3
125.00011	20.5
129.06975	0.2
131.08592	0.3
133.10127	0.2
147.11726	0.2
175.13315	0.2
184.07349	100.0
185.07703	0.6
185.13284	0.1
193.12196	0.2
218.23978	0.1
218.36331	0.1
238.17868	0.2
267.15994	0.8
309.24219	0.4
337.27258	0.4
450.22574	0.2
501.35428	0.3
505.38684	0.2
529.38818	0.3
547.39569	0.2
590.43683	0.3
712.45526	5.0
713.45630	0.3
762.42480	0.6
763.41785	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.05514	14.9
56.57473	0.5
57.03447	1.0
57.07080	7.5
59.04749	0.7
59.05008	7.6
61.02909	1.0
65.03956	0.5
67.05514	4.4
69.03426	3.0
69.07071	30.3
69.94756	2.2
70.06590	1.2
71.05001	1.0
71.08625	1.9
73.02919	1.0
73.06561	2.0
77.06052	0.7
79.05488	1.6
81.03412	1.6
81.07057	5.4
81.89928	0.5
83.08621	19.2
84.04573	0.5
84.08152	0.7
85.02908	9.7
85.10177	2.6
86.09712	0.6
87.04472	23.4
89.06033	41.4
91.05483	2.3
91.17850	0.5
93.07042	1.9
93.20197	0.5
95.04990	0.8
95.08602	6.4
97.02886	3.0
97.06590	0.5
97.10175	19.7
99.04449	1.1
99.11754	0.5
103.03946	100.0
103.07576	5.0
104.04293	0.6
105.07024	1.7
107.07085	3.8
107.08597	2.0
109.02911	1.0
109.10151	4.2
111.04456	0.5
111.11729	12.5
111.12453	1.0
113.05998	0.5
117.09142	1.8
119.07053	1.4
119.08575	1.9
121.08651	1.2
121.10170	2.0
123.11710	1.7
125.13265	5.6
127.03934	1.7
131.07059	6.9
131.08557	1.1
133.08611	22.6
135.11729	1.4
139.14833	1.0
145.04994	0.7
145.10138	1.4
147.06531	11.8
147.10181	0.9
147.11688	0.6
149.13269	1.1
151.09634	2.8
153.47343	0.5
159.11720	0.7
163.09685	2.4
163.11086	0.9
165.07603	0.9
175.09743	3.8
177.11218	8.3
179.17943	0.6
181.12210	0.6
184.07326	0.8
191.09148	8.7
195.12267	1.4
197.19003	2.8
199.20529	6.1
205.19615	0.5
207.12280	3.2
209.13809	0.6
216.08325	0.5
219.12296	1.7
221.13904	2.2
235.11763	11.3
243.23222	3.7
251.14890	1.1
253.13130	0.6
253.16492	1.0
257.22699	0.6
265.14172	0.6
269.15945	0.6
269.24854	1.0
279.14334	2.7
285.24490	0.8
287.25861	5.9
297.15469	0.8
308.74667	0.5
323.17111	1.7
331.28436	5.8
339.20221	1.9
341.18137	1.1
341.21893	1.4
364.17703	0.6
367.19824	1.1
375.31036	2.9
385.20651	8.8
419.33704	1.6
449.25565	0.8
463.36520	1.1
481.37589	0.9
507.38568	0.8
537.39966	2.1
565.39825	1.7
583.40582	19.1
584.40826	1.1
594.50122	0.6
681.40582	0.6
708.52551	0.6
762.47870	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01880	1.2
55.05508	4.1
56.05027	2.0
57.07082	1.1
58.06932	0.9
58.99590	14.6
63.34447	0.9
65.03945	2.1
67.05505	14.8
69.03423	5.1
69.07066	6.0
70.02959	3.0
70.55742	3.0
74.00666	2.7
76.02231	51.6
76.04005	5.8
79.05500	10.1
80.05045	1.1
81.07069	14.6
83.04987	2.5
83.06110	7.6
83.08646	1.8
84.04507	15.6
85.02918	1.8
85.04041	2.6
86.99057	2.9
87.09924	0.9
88.02229	2.2
91.05484	11.2
92.01714	1.9
93.07050	12.8
95.04995	3.1
95.08611	18.1
97.06539	15.3
97.10159	1.5
99.05593	2.9
102.03824	1.2
105.07036	13.9
107.04971	2.4
107.08601	26.3
109.06524	9.5
109.07651	1.2
109.10164	24.7
111.04460	2.3
111.08099	6.2
113.03471	1.4
115.05482	1.6
116.01683	19.9
117.07027	4.9
119.08598	14.0
121.06534	6.8
121.10157	10.1
123.08097	4.4
123.11731	3.9
125.05999	13.9
125.09612	7.9
126.46239	1.0
128.06252	5.1
129.06551	6.6
130.05017	12.0
131.04604	3.2
131.08571	11.9
133.06548	2.1
133.10143	10.5
135.04456	1.9
135.08063	6.5
135.11716	8.0
137.05952	1.2
137.09615	11.3
137.13245	1.1
139.07570	2.1
139.11240	2.3
140.89772	1.0
141.04771	1.7
141.07039	2.9
142.03214	9.3
142.07854	2.9
143.08569	19.3
144.01170	9.3
145.06082	8.3
145.10138	14.2
147.08054	5.7
147.11734	6.4
149.09660	3.0
149.13278	3.3
151.07608	1.6
151.11153	1.2
153.06940	4.0
153.09132	7.1
154.07857	1.3
155.08586	10.1
155.10718	3.7
156.09370	1.3
157.06514	1.3
157.10153	10.7
158.10915	2.1
159.08083	9.5
159.11684	11.2
160.08855	1.1
161.04214	2.2
161.09642	12.5
161.13310	3.7
162.02216	33.9
163.11240	4.4
165.07076	3.3
166.07861	1.5
167.08632	4.0
169.10165	10.4
170.02773	4.5
170.10890	1.3
171.08066	49.7
171.11699	7.9
173.09654	8.5
173.12030	1.1
173.13237	6.8
175.11211	6.8
177.03291	14.5
177.12816	3.5
178.07845	1.5
179.04871	68.2
179.08463	6.6
179.14342	1.2
180.09415	2.2
181.06239	2.8
181.10147	9.3
182.07304	3.1
182.10959	2.4
183.08113	5.1
183.11685	9.8
184.12254	1.2
185.09697	4.2
185.13272	7.5
187.05531	9.2
187.07590	2.0
187.11150	4.8
187.14888	3.7
189.03244	1.1
189.09146	3.5
189.12770	2.6
191.08676	1.7
191.14412	1.5
192.09392	1.8
193.10164	8.0
194.10962	3.5
195.08139	4.1
195.11700	11.2
196.08897	2.8
196.12506	2.3
197.09636	22.4
197.13326	8.6
199.11171	5.0
199.14867	4.3
201.12704	2.3
201.16339	1.4
203.05370	1.5
203.08533	1.7
203.14284	1.6
205.10190	3.5
206.10979	1.9
207.11687	5.7
208.08784	4.8
208.12479	1.4
209.09654	8.7
209.13177	5.7
210.10487	2.3
211.11208	12.6
211.14638	4.9
213.12758	5.3
213.16362	2.5
215.04893	3.0
215.08818	1.3
215.10805	1.4
215.14389	1.5
217.10133	1.4
218.10861	2.7
219.11679	5.9
220.12561	2.2
221.09676	8.5
221.13182	5.9
222.10442	1.8
222.13974	1.4
223.11212	14.1
223.14749	6.1
225.12703	6.7
225.16365	2.3
227.08975	1.5
227.14442	3.6
231.04613	1.6
232.12648	3.3
233.05899	15.4
233.13278	5.7
235.11269	4.4
235.14848	5.0
236.11800	1.7
237.12791	10.1
237.16333	7.1
239.10880	1.5
239.14322	5.4
239.17987	1.8
241.15944	3.2
243.17734	1.3
245.05954	3.9
245.13351	1.7
246.10448	3.0
246.14063	1.3
247.11223	2.3
247.14767	7.6
248.12122	2.4
248.15610	1.4
249.12874	3.8
249.16383	2.2
250.13698	1.9
251.14297	5.2
251.18016	2.0
253.15967	3.7
261.12811	9.0
262.13690	2.1
263.14426	9.4
263.17990	3.7
265.15845	16.6
265.19125	1.2
267.17493	1.6
271.07977	1.3
271.14832	1.1
273.16342	2.4
275.14398	1.7
275.17813	1.3
276.15085	2.1
277.16061	2.6
279.13931	9.7
279.16940	1.8
281.15454	4.4
281.19138	3.4
283.17007	2.9
289.15933	3.3
291.06512	2.1
291.17505	14.8
293.19070	2.5
295.20670	1.3
303.17435	2.4
305.18893	1.4
306.07611	2.2
307.17090	2.4
308.09152	13.9
309.18579	3.8
317.18890	1.3
337.21701	1.4
373.25443	3.2
383.23831	3.0
391.26468	4.0
393.24216	12.8
401.24780	13.7
403.26434	1.3
409.27603	2.3
419.25851	26.8
419.31223	1.9
421.27512	1.5
433.22324	1.6
437.26947	20.3
438.27020	1.1
451.23181	2.5
455.27872	9.9
469.24197	4.0
494.27109	3.2
495.26483	1.2
512.28479	2.7
530.28955	6.3
579.29028	4.4
597.29956	5.8
615.31006	15.0
633.32043	23.9
660.04523	1.1
669.32324	3.1
687.33228	9.8
726.33636	1.1
744.35205	3.2
762.36328	100.0
763.36755	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	762.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
55.05508	6.8
56.05017	1.9
58.99586	16.4
60.04518	2.2
67.05197	2.1
67.05510	11.8
69.03428	6.4
69.07078	9.1
69.94383	4.1
69.94791	3.8
70.02970	8.7
70.06600	45.3
71.06928	1.8
72.08151	4.0
76.02235	70.9
76.03998	7.8
79.05496	16.9
81.07072	22.4
83.04985	5.1
83.06107	6.0
83.08634	3.0
84.04518	16.2
84.08144	1.7
85.02930	2.0
86.09722	3.4
86.99062	2.3
88.04034	2.0
91.05486	15.0
93.07052	14.7
95.04996	7.2
95.08603	24.1
97.06544	10.4
97.10191	1.6
99.05589	4.9
105.07046	23.3
107.04975	6.3
107.08607	27.8
109.06537	18.6
109.10155	10.6
111.04500	2.6
111.08092	3.4
111.20697	1.6
115.05451	2.4
115.61958	1.7
116.01691	23.7
116.07098	54.0
117.07053	3.3
119.08578	17.7
120.08125	1.9
121.06543	6.6
121.10171	9.1
123.04438	2.6
123.08074	71.5
123.11717	4.2
125.06013	14.5
125.06823	1.7
125.09634	33.5
125.10454	2.7
128.06317	3.6
129.06680	4.8
130.05017	8.0
131.08592	13.1
131.78055	1.8
133.06494	4.6
133.10147	14.0
135.08093	5.7
135.11722	5.6
137.09654	4.5
139.07603	2.1
141.04765	2.3
141.07016	2.3
142.03264	12.0
142.07840	3.3
143.02759	1.8
143.08580	14.4
144.01173	12.7
145.06088	39.2
145.10147	19.9
146.02716	1.8
147.08095	5.9
147.11690	10.9
149.09654	5.1
149.13284	2.1
149.34653	1.7
151.07532	9.4
153.06929	2.8
153.09119	4.5
155.08569	19.4
157.10165	10.9
159.08119	5.2
159.11685	12.7
161.09694	5.5
161.13182	8.6
162.02228	37.0
163.11287	2.0
163.14883	2.3
165.09149	4.0
167.08684	2.2
168.09367	2.2
169.06418	2.1
169.08644	66.5
169.10138	11.1
170.02760	5.8
171.08049	21.5
171.11740	7.4
173.09641	9.0
173.13358	6.5
175.11232	7.5
175.14868	7.4
179.04874	70.5
179.08493	3.4
181.10054	8.6
183.11674	8.0
185.09645	4.8
185.13307	5.1
187.05408	7.0
187.11189	4.1
187.14868	7.9
189.03442	1.9
189.09143	2.2
191.10718	5.9
193.10208	4.7
195.11772	7.2
197.09659	6.5
197.13301	7.4
199.14941	3.9
201.12791	2.3
201.16495	2.5
205.10085	2.0
206.10918	2.4
207.11783	4.6
209.09871	3.1
209.13365	5.8
211.11295	7.5
211.14836	2.9
213.12863	3.8
213.16411	2.4
215.05000	2.3
215.14343	3.3
219.11819	2.5
221.13289	3.7
222.14084	1.8
223.11311	3.7
223.14854	3.8
225.12794	4.1
225.16418	2.7
227.14291	2.7
233.05930	25.6
233.13211	3.2
235.14830	4.0
237.12718	2.7
237.16531	2.5
239.14407	3.2
245.05962	3.9
247.14931	4.1
249.16516	2.4
251.14389	3.1
251.18040	7.2
261.16333	2.1
263.14432	2.7
265.16058	8.5
265.18851	1.6
267.17508	7.6
269.19034	41.4
273.16318	2.4
275.17883	2.1
277.15900	3.8
283.17062	5.3
287.20099	17.2
291.06534	3.8
291.17386	7.8
293.19150	2.8
295.20752	2.2
308.09134	37.1
309.18579	3.3
393.24005	2.9
401.24860	14.8
419.25961	21.3
419.31171	2.7
437.26938	16.1
455.28137	4.0
505.60138	1.8
530.29596	3.3
534.32526	1.9
597.29797	3.1
615.31116	23.2
633.32275	19.8
687.33252	14.5
744.35492	14.5
762.36316	100.0
763.36530	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	13.5
55.01878	31.3
55.05275	2.8
55.05518	39.3
57.03444	20.1
57.07067	4.4
59.04990	7.5
59.44262	2.1
60.58805	2.0
61.02932	15.1
65.03936	3.1
67.05511	96.3
69.03420	10.9
69.07074	32.1
71.04996	5.9
73.02909	7.6
77.03916	3.0
79.05501	100.0
81.03446	14.1
81.06591	4.4
81.07064	79.5
83.04960	6.4
83.08621	20.2
85.02914	17.5
85.06529	4.6
87.04454	3.3
89.06008	4.1
91.03951	4.5
91.05490	69.1
93.07054	92.3
95.04953	16.7
95.08613	50.6
97.02911	12.7
97.06545	38.3
97.10171	16.0
99.04454	2.6
99.08079	3.8
101.02410	2.6
101.06015	3.1
103.05470	3.9
105.04477	2.9
105.07040	50.5
107.04963	23.0
107.08600	47.6
108.11594	2.1
109.02831	3.6
109.06522	9.1
109.10158	35.4
111.08070	5.9
115.05428	4.0
117.07028	24.5
117.09009	2.7
119.08579	37.6
121.06497	4.7
121.10146	42.8
123.08102	5.7
123.11713	7.4
125.09636	15.9
127.03931	4.9
128.06238	3.1
129.07018	6.6
131.08578	29.4
133.10138	32.3
134.06096	2.8
135.08058	7.8
135.11697	19.2
137.09613	6.0
141.06972	3.0
143.08562	10.9
145.10121	30.8
147.08049	3.7
147.11717	24.3
149.09648	28.0
149.13226	10.1
151.11229	4.0
155.08611	3.0
157.10103	9.0
159.08093	2.8
159.11688	18.8
161.09647	3.2
161.13222	6.3
163.11168	10.7
169.10110	6.7
171.11668	9.7
173.11832	3.8
173.13268	10.7
175.11299	3.3
177.12674	3.6
178.05031	5.8
179.14319	3.8
183.11633	3.9
184.07361	11.2
185.13214	5.7
187.11139	3.4
187.14784	4.4
189.11215	10.8
197.13277	4.0
211.14861	3.4
213.16336	3.7
215.18033	11.6
227.12776	18.6
229.14279	9.9
231.17523	3.2
233.19003	8.3
235.26651	2.7
238.10797	2.4
245.13930	3.1
255.11102	5.2
257.19034	10.4
259.20636	2.9
266.48917	2.5
275.20087	59.6
293.21228	3.8
297.12344	4.2
307.22714	81.4
308.22955	3.0
314.16415	3.0
349.23740	41.8
403.28439	4.8
461.32315	6.9
477.31857	6.3
485.36194	8.9
487.34283	4.9
531.19916	3.2
532.20929	3.5
535.23340	3.9
563.22717	6.5
564.68933	2.6
572.47479	5.6
578.25177	3.4
579.25958	21.4
581.42017	46.8
582.42871	2.6
595.25763	13.8
596.25452	2.9
599.43134	14.0
610.27844	41.7
611.27814	7.3
637.26868	3.9
665.25366	8.9
697.28687	70.2
698.29114	7.2
729.30786	6.6
756.97223	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	761.4842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.3
55.01875	26.5
55.05273	2.5
55.05517	36.1
57.03439	16.2
57.07081	5.1
59.05003	10.6
61.02913	9.9
65.03934	6.4
67.05512	94.3
69.03441	12.4
69.07076	30.1
70.06586	3.5
71.04977	5.2
71.08605	3.3
71.51003	3.4
73.02908	4.8
77.03920	3.1
79.05503	100.0
81.03432	12.0
81.06597	3.9
81.07067	74.3
83.04979	8.8
83.08636	12.8
85.02909	16.2
85.06546	2.7
86.09715	5.2
89.06007	2.7
89.92422	2.4
91.03941	3.0
91.05492	61.6
93.07052	88.6
95.04984	14.6
95.08067	3.8
95.08615	48.6
97.02878	9.2
97.06533	38.1
97.10180	13.0
99.08070	3.6
101.06011	2.5
103.05506	2.9
104.04993	2.4
105.04513	4.7
105.06404	3.6
105.07047	47.8
107.04964	17.7
107.08601	49.1
109.02958	2.1
109.06507	6.5
109.10175	35.0
109.35989	2.3
111.04469	2.3
111.08065	4.4
117.07021	17.4
119.08594	36.3
121.06497	4.3
121.10159	40.1
123.08068	5.0
123.11716	8.5
125.09642	12.7
127.03944	4.0
129.06993	8.3
131.08582	28.3
133.06485	4.0
133.10156	28.0
135.08038	6.7
135.11720	17.9
143.08569	8.7
144.63928	2.1
145.06483	2.6
145.10143	29.6
147.11696	17.8
149.09628	25.7
149.13252	8.9
151.11246	3.8
155.08531	6.2
157.05013	2.2
157.10094	7.3
159.11723	13.9
161.09595	3.3
161.13223	5.9
163.11261	11.2
166.90527	2.5
169.10117	5.5
171.11732	6.6
173.11928	2.9
173.13307	8.5
175.11168	2.7
175.13300	2.2
178.05057	4.7
179.14285	3.5
183.11777	5.3
184.07394	11.7
185.07736	2.7
185.13217	4.1
187.11180	2.4
187.14929	3.3
189.11217	8.6
189.12814	2.8
191.14235	2.7
197.13281	3.2
203.17830	2.8
205.15944	2.1
211.14897	2.5
213.16325	6.4
215.18010	12.7
225.10219	2.9
227.12837	16.9
229.14395	8.3
229.19278	2.6
231.17178	2.8
233.19014	7.3
255.11336	2.3
257.18976	9.0
265.09729	3.0
271.14166	2.5
273.18506	3.6
275.20102	40.4
293.21448	2.6
307.22708	76.1
309.24200	2.7
349.23746	32.9
355.12756	2.5
403.28516	4.8
461.32465	3.0
477.32129	6.4
485.36206	6.3
487.34036	2.9
489.18497	2.8
547.23566	5.0
551.26404	2.9
563.22589	4.7
567.26117	3.4
579.25983	21.1
581.42126	41.3
582.41852	2.8
595.25665	12.0
599.42841	12.9
610.27899	34.3
611.27893	3.5
637.26422	8.2
665.25446	7.9
697.28778	61.6
698.28748	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	761.4837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.1
53.34715	2.4
55.01872	4.1
55.05502	12.9
57.03444	13.4
57.07058	3.0
58.47815	2.7
59.04993	10.2
65.03909	3.0
67.05508	37.4
69.03403	3.5
69.07069	10.7
71.04366	6.6
71.67148	3.2
79.05502	37.2
81.07056	39.7
83.04977	4.5
83.08614	8.0
85.06554	5.2
86.09700	6.2
86.26801	2.8
89.06006	4.1
91.05489	33.4
93.07055	30.7
95.04951	6.4
95.08614	27.5
97.06531	4.1
105.07029	20.8
107.04941	5.7
107.08591	17.0
109.06509	11.8
109.10161	7.8
117.07034	16.2
119.08582	19.8
121.10143	12.9
125.00006	4.6
127.03944	2.8
129.06995	7.8
131.08594	22.2
133.08661	3.2
133.10152	9.8
135.08072	29.1
135.11659	5.9
143.08507	3.6
145.10132	8.0
147.11665	6.4
149.09610	9.4
149.13246	2.9
157.10092	5.9
159.11720	4.2
171.11665	4.3
173.13298	16.9
175.11208	9.4
184.07343	20.0
185.07626	4.1
191.14331	100.0
191.16100	4.9
229.15973	6.5
245.14828	3.0
247.16971	11.7
265.18036	4.0
275.20041	4.1
307.22620	9.2
321.20670	19.5
335.25873	26.6
349.23630	4.2
430.92392	2.8
491.58640	3.2
492.31726	3.0
581.42035	83.3
582.42017	4.8
630.85443	3.5
763.09900	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	761.4837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.1
53.34715	2.4
55.01872	4.1
55.05502	12.9
57.03444	13.4
57.07058	3.0
58.47815	2.7
59.04993	10.2
65.03909	3.0
67.05508	37.4
69.03403	3.5
69.07069	10.7
71.04366	6.6
71.67148	3.2
79.05502	37.2
81.07056	39.7
83.04977	4.5
83.08614	8.0
85.06554	5.2
86.09700	6.2
86.26801	2.8
89.06006	4.1
91.05489	33.4
93.07055	30.7
95.04951	6.4
95.08614	27.5
97.06531	4.1
105.07029	20.8
107.04941	5.7
107.08591	17.0
109.06509	11.8
109.10161	7.8
117.07034	16.2
119.08582	19.8
121.10143	12.9
125.00006	4.6
127.03944	2.8
129.06995	7.8
131.08594	22.2
133.08661	3.2
133.10152	9.8
135.08072	29.1
135.11659	5.9
143.08507	3.6
145.10132	8.0
147.11665	6.4
149.09610	9.4
149.13246	2.9
157.10092	5.9
159.11720	4.2
171.11665	4.3
173.13298	16.9
175.11208	9.4
184.07343	20.0
185.07626	4.1
191.14331	100.0
191.16100	4.9
229.15973	6.5
245.14828	3.0
247.16971	11.7
265.18036	4.0
275.20041	4.1
307.22620	9.2
321.20670	19.5
335.25873	26.6
349.23630	4.2
430.92392	2.8
491.58640	3.2
492.31726	3.0
581.42035	83.3
582.42017	4.8
630.85443	3.5
763.09900	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	760.5781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	2.8
57.07079	31.2
57.32424	0.4
59.04991	1.5
67.05494	0.7
69.07068	4.2
69.19262	4.0
71.05015	0.6
71.08635	28.8
73.02916	0.8
73.06558	9.3
81.07070	1.3
81.11224	0.4
83.08615	4.2
85.10188	16.0
86.09695	0.9
87.04475	11.4
89.06036	100.0
91.07635	0.7
93.07040	0.6
95.08614	0.8
97.10172	4.9
98.14589	0.4
98.21464	0.7
99.11757	2.3
107.07083	2.0
111.11728	2.8
113.13304	1.6
117.09137	9.6
125.00004	1.2
125.13294	1.8
127.14831	1.7
130.08664	2.0
131.07060	3.0
133.08612	50.2
134.09003	0.5
135.10199	0.8
136.94005	0.4
141.16422	1.1
155.17935	0.5
161.11723	2.3
175.09703	2.3
177.11237	21.4
179.12816	0.4
184.07355	3.0
185.07811	0.5
188.23526	0.4
196.27449	0.4
197.22678	2.1
211.97356	0.4
221.13832	4.6
223.15370	0.6
239.15050	0.6
241.25337	1.8
260.60739	0.4
265.16608	1.1
283.17532	1.3
285.27896	5.7
306.16980	0.5
309.19113	0.8
327.20285	0.5
329.30383	2.2
334.14883	0.5
353.22131	0.6
371.22604	0.5
397.24295	0.5
490.18091	0.4
547.33484	0.9
571.47345	1.5
594.62317	0.4
743.55664	2.0
759.55890	0.5
760.58112	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	760.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.05515	5.4
57.03442	1.1
57.07082	32.4
59.05007	13.3
61.02913	1.1
67.05515	5.5
69.07068	6.2
70.06595	0.9
71.08636	29.3
71.51533	1.4
73.02897	1.3
73.06564	8.6
76.86676	0.8
79.05492	5.4
81.03421	1.5
81.07063	7.7
83.04980	1.0
83.08623	3.3
85.10189	16.1
86.09700	3.7
87.04478	18.9
89.06040	48.5
91.05470	4.2
93.07029	5.2
95.04953	1.0
95.08602	3.7
97.06548	0.9
97.10197	4.8
99.11727	4.0
103.03949	100.0
103.07593	5.1
105.07023	3.0
106.49472	0.9
107.07102	1.9
107.08616	3.0
109.10161	2.4
111.11723	3.0
113.06036	1.1
113.13283	1.9
117.09138	8.2
119.07059	1.8
119.08583	1.9
121.08661	2.0
121.10174	1.3
125.00028	1.9
125.13268	1.6
127.03876	1.0
127.14821	2.3
129.92659	0.9
130.08643	1.5
131.07063	5.3
131.08595	2.1
133.07664	1.5
133.08618	19.6
133.10150	2.2
135.07986	1.7
135.10153	1.2
135.11731	1.5
137.09621	1.1
145.10092	1.6
147.06537	12.2
147.10175	2.2
147.11678	1.4
148.02821	0.9
157.10228	0.9
159.11671	1.8
161.11739	3.0
163.09662	2.7
175.09674	2.7
177.11255	10.4
183.21094	2.5
184.07347	7.6
186.07640	1.1
191.09134	5.1
191.10666	0.9
207.12286	4.4
215.18176	1.0
221.13893	2.2
227.23706	2.5
235.11749	5.3
271.26340	7.4
275.20197	2.0
279.14355	1.2
307.22693	2.8
309.19113	1.0
315.28992	3.6
532.62164	1.0
581.41315	1.2
760.53638	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	760.4843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.8
54.67456	1.7
55.01869	2.7
55.05280	2.0
55.05516	23.7
57.03437	19.3
57.07054	3.4
60.08152	5.1
61.02904	2.3
65.03931	2.0
67.05508	71.1
67.67129	2.0
69.03434	2.9
69.07069	17.1
70.06591	2.1
71.04986	4.1
76.81744	1.9
79.05494	51.2
81.03422	94.6
81.06596	3.4
81.07059	65.1
83.04965	5.1
83.08618	22.5
85.06505	3.1
86.09711	20.7
87.04478	2.2
91.05482	41.3
93.06492	3.5
93.07045	53.9
95.04973	29.0
95.08606	48.1
97.02926	3.0
97.06541	4.3
97.10159	7.2
97.11546	2.1
98.21516	5.1
98.98484	3.6
104.10739	1.9
105.07030	34.3
107.04977	8.9
107.08614	29.0
109.06516	8.8
109.10150	20.6
111.08063	5.8
115.05409	2.3
117.06992	9.4
119.08577	27.4
121.06516	5.2
121.10159	25.8
123.11687	4.1
124.99982	8.2
125.09614	5.9
129.07019	13.2
131.08592	21.6
133.06470	2.8
133.10147	15.9
135.08041	2.9
135.11713	14.0
142.07729	2.6
143.08626	3.0
145.10117	15.3
147.08008	2.4
147.11691	13.3
149.09608	5.5
149.13268	5.0
155.08443	2.3
157.10164	13.6
159.11647	5.7
161.13272	5.6
163.14824	5.3
171.11690	3.5
173.13245	8.5
175.11203	8.1
175.14839	3.0
184.05801	4.0
184.07350	53.6
184.08998	2.9
187.14778	5.1
189.11208	3.8
193.12297	22.4
199.14827	2.2
201.16257	2.7
215.17961	2.1
227.12814	7.0
229.21227	2.0
235.13206	2.7
243.21028	3.7
249.14763	2.2
259.13309	2.3
261.22107	19.3
267.15930	91.3
268.16422	2.4
279.23206	2.8
285.16849	2.4
288.76315	1.9
301.25201	3.4
307.22641	2.7
309.16864	3.6
317.24661	3.6
335.25815	100.0
336.25885	4.3
352.91492	2.0
377.19965	2.3
417.31552	2.2
421.26093	2.5
435.27301	2.1
435.32596	5.4
453.33585	8.7
471.34573	7.4
509.35147	1.9
527.37347	59.1
528.37622	3.6
545.38354	46.9
569.38300	2.7
625.97766	2.2
704.61395	2.1
710.43408	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	760.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	16.0
54.59499	1.1
55.01872	4.1
55.05515	16.2
57.03444	5.7
57.07067	3.0
59.05011	1.3
61.02922	1.3
61.99578	1.0
62.84966	1.0
65.03940	4.1
67.05506	41.3
69.03425	11.4
69.07075	21.4
69.35218	1.2
70.80703	2.7
71.04973	3.2
73.02911	3.3
76.02222	1.7
77.03957	1.2
79.05495	34.4
81.03419	17.6
81.07059	100.0
83.04987	1.2
83.08630	8.6
84.08167	1.5
85.02908	32.5
87.04445	1.1
91.04904	1.6
91.05479	33.2
93.07046	70.6
95.04968	4.6
95.08611	82.7
97.02887	18.1
97.06547	2.4
97.10186	6.2
99.04453	10.5
101.02422	1.4
103.05451	1.8
105.04517	1.9
105.06316	2.1
105.07036	65.3
107.08601	82.6
107.36572	1.2
108.08961	1.4
109.02886	68.0
109.06526	2.7
109.10160	65.3
111.11734	2.1
113.02367	13.7
117.07031	7.9
119.08587	64.8
121.06484	1.5
121.10150	56.2
122.10532	1.3
122.12833	1.0
123.11723	24.1
125.05993	1.2
127.03924	49.9
131.03406	31.3
131.08589	17.2
133.07503	1.2
133.10135	31.2
135.11691	31.1
137.12321	1.1
137.13252	5.5
143.08583	3.4
144.09320	2.5
145.04985	3.2
145.10120	23.6
147.11693	33.2
149.09688	1.3
149.13260	39.4
157.10129	3.5
159.11707	32.5
161.13258	37.7
163.11261	1.5
163.14824	29.5
171.11687	2.1
173.04495	2.6
173.13293	15.8
175.14844	24.7
177.16379	12.2
180.08755	1.5
183.35094	1.2
185.04520	1.4
187.14801	10.6
189.16380	15.5
191.17947	4.3
201.16380	18.7
203.05563	3.4
203.17950	13.2
213.16492	1.7
215.17955	31.7
224.76363	1.4
229.15990	1.4
229.19485	5.9
231.21083	2.4
239.05595	7.4
243.21100	1.8
257.06610	14.1
271.24222	64.5
272.24545	2.0
275.07620	2.1
289.25259	5.2
299.15176	1.7
321.20425	1.4
513.03406	1.2
545.31012	1.5
760.40271	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	758.5696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.2
56.05045	0.9
57.07077	0.2
58.06631	0.4
58.78919	0.1
59.05019	0.7
59.05253	0.1
59.07380	0.1
60.08169	6.6
63.08952	0.1
67.05511	0.4
69.23358	1.1
69.37581	0.1
70.06600	0.1
71.07380	4.1
71.08632	0.2
74.09709	0.3
75.50361	0.1
79.05506	0.3
81.07050	0.4
86.09712	32.4
93.07059	0.2
95.08642	0.2
98.02466	0.1
98.98471	4.1
98.99125	0.2
103.72053	0.1
104.10757	2.2
125.00014	22.3
143.01186	0.1
184.07353	100.0
185.07774	0.8
193.16322	0.1
299.06320	0.1
758.57056	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	758.5568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
53.58970	0.4
55.05504	1.8
56.84979	0.3
57.03442	0.5
57.07073	3.4
58.06599	0.8
61.02929	1.1
62.06086	3.6
67.05510	4.0
68.05045	0.7
69.03419	0.4
69.07062	1.1
70.06599	7.1
71.08639	2.4
71.50103	0.6
72.04513	1.1
73.02925	0.6
79.05497	5.1
81.03419	2.8
81.07056	4.0
83.04990	0.7
83.08620	0.9
84.08150	0.6
85.02885	1.3
86.09698	1.3
88.07635	8.5
91.05479	2.9
93.07046	3.9
95.04976	1.6
95.08611	2.4
97.02915	1.0
98.06054	0.8
99.04487	0.5
102.09190	2.3
105.07023	1.5
106.08686	4.7
107.08577	1.4
109.10156	1.2
111.08066	0.8
116.07088	0.6
117.07024	0.6
119.08594	0.9
121.10174	2.4
123.08089	0.5
123.11684	0.6
125.00025	0.7
131.08603	0.9
133.10164	1.2
135.11703	1.0
145.10112	0.8
147.11653	0.7
149.09679	0.6
149.13342	0.5
170.50432	0.5
182.15456	0.4
183.83783	0.4
184.07358	2.8
193.12274	0.9
193.77147	0.4
195.26599	0.5
207.27632	0.4
210.14931	3.1
212.23773	1.1
215.17918	0.8
225.79993	0.4
228.15952	1.5
233.18875	0.7
254.17557	1.3
256.26337	3.9
263.43042	0.4
267.15924	4.7
274.27417	100.0
275.27747	2.3
302.19650	1.1
307.22672	5.0
499.34106	1.7
517.35254	0.7
534.37598	1.7
552.38873	1.7
578.32068	0.5
578.40399	6.3
603.32666	0.4
714.43347	0.5
740.45593	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	758.4692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.6
53.62619	1.5
55.01865	5.0
55.05515	22.4
57.03442	12.8
57.07088	2.5
59.04991	2.4
61.02922	6.0
65.03951	5.5
67.05515	81.3
67.17843	1.5
69.03444	3.6
69.07076	22.9
70.06615	1.9
71.05004	7.0
71.07367	3.2
71.48174	1.4
75.02277	1.6
79.05502	57.6
81.03416	6.3
81.07066	61.2
83.04985	8.7
83.08622	11.5
85.02917	7.0
85.06551	5.0
86.09723	11.7
91.03955	2.2
91.05487	50.6
93.07057	53.8
95.04977	13.4
95.08066	2.8
95.08619	41.5
97.02896	11.5
97.06524	10.9
97.10184	5.3
98.20764	4.9
99.04480	2.2
101.29502	1.4
105.07044	44.5
107.04951	5.6
107.08603	35.9
109.06523	7.3
109.10172	36.9
109.10732	1.1
111.04444	9.2
111.08064	4.9
113.06040	1.6
115.05486	2.6
115.07476	1.8
117.07035	19.4
119.08604	32.3
121.06514	5.8
121.10152	24.4
123.08080	3.9
123.11705	6.7
125.00031	9.6
125.09658	3.3
127.03915	3.3
129.07034	11.8
131.08575	23.8
133.06525	4.1
133.10144	26.2
135.08015	8.6
135.11717	21.2
137.09633	6.5
141.07028	3.7
143.08595	13.0
145.06503	5.4
145.10132	25.0
147.04382	2.3
147.08087	5.1
147.11694	13.6
149.09636	6.8
149.13242	4.2
151.11188	7.1
155.08525	9.3
157.10149	13.8
159.08096	3.7
159.11703	14.5
161.09619	6.0
161.13228	7.8
163.11206	9.5
163.14804	2.1
167.08676	1.7
169.10158	5.9
171.11703	8.6
173.09659	5.8
173.13290	6.8
175.11169	5.0
175.14848	4.1
177.12840	2.1
181.12265	3.0
183.11757	7.8
184.07376	45.7
185.09653	3.1
185.13271	5.5
187.11229	2.6
187.14813	5.7
189.11205	2.5
189.12779	2.7
191.10692	6.3
192.69186	1.7
197.13335	4.5
199.11189	2.2
199.14885	2.9
203.14258	2.2
209.11710	13.2
209.13412	2.0
213.16489	2.1
227.12784	7.8
227.16435	4.6
229.14388	5.6
235.14720	2.0
243.21115	2.2
245.13852	3.7
250.32024	1.8
253.14365	4.0
255.15945	6.0
255.21469	1.8
258.02380	1.8
259.20508	4.0
261.22131	6.1
271.20651	3.4
272.49469	1.9
273.22195	8.0
275.19897	1.7
283.15421	47.2
283.20291	2.2
285.16873	2.7
289.21695	3.6
297.22269	2.9
299.20135	6.1
301.16513	5.7
301.21680	5.5
313.21606	2.9
315.23312	11.9
317.21094	5.2
317.24765	2.6
331.22726	1.9
333.24408	4.0
335.25986	12.6
347.25940	2.7
363.25464	2.9
373.23730	4.4
389.26779	5.2
391.24750	3.1
433.31039	7.3
451.32251	13.6
453.83694	1.8
469.33246	11.8
475.29996	1.8
487.34109	6.7
507.34711	2.6
515.37262	2.8
525.35828	27.3
543.36865	100.0
544.36902	5.6
561.37952	33.6
562.38403	2.5
758.45001	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	758.4689
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90392	1.2
53.03944	5.2
55.01865	8.3
55.05268	2.5
55.05516	29.0
57.03447	20.2
57.07075	4.2
59.04998	3.9
60.08157	1.7
61.02930	6.6
65.03959	2.5
67.05511	78.8
69.03423	4.0
69.06734	1.5
69.07079	19.4
69.18762	3.3
69.19169	9.8
70.53537	1.2
71.01346	3.6
71.04984	5.8
71.07370	2.1
71.59637	1.3
73.02922	3.3
79.05502	71.0
81.03429	20.3
81.07064	69.2
83.01339	3.2
83.04993	18.7
83.08631	16.9
85.02901	11.5
85.06532	4.0
86.09708	14.5
91.03962	1.4
91.05484	40.1
92.05820	1.3
93.07052	80.7
95.04967	12.2
95.08615	52.4
97.02919	11.3
97.06551	10.6
97.10176	8.1
99.04492	1.6
99.08088	2.3
103.05525	1.7
105.04561	2.9
105.07040	26.2
107.04372	1.6
107.04980	12.8
107.08604	40.9
109.02888	2.3
109.06533	6.6
109.09467	2.6
109.10167	30.5
111.04476	11.8
111.08069	7.5
113.06033	1.4
115.07598	1.5
117.07030	15.8
119.07814	2.4
119.08595	29.9
121.06509	4.4
121.10155	40.6
123.08073	6.1
123.11723	5.2
125.00009	9.3
125.06001	1.5
125.09637	5.0
129.07033	4.9
130.07803	2.0
131.08571	20.2
133.10155	14.4
135.08083	4.0
135.11703	34.0
137.09612	3.6
139.07545	1.5
139.11191	4.1
143.08583	4.4
145.06535	2.4
145.10135	29.7
147.08046	5.7
147.11710	9.0
149.09628	4.2
149.13271	7.8
153.12749	10.9
155.08549	4.3
155.10658	1.4
157.10115	1.8
159.08029	2.0
159.11722	6.2
161.09587	1.9
161.13303	5.4
163.11209	31.6
163.14824	3.1
169.10242	1.6
171.11699	2.5
173.09668	7.0
173.11819	2.5
173.13261	5.1
175.14876	1.8
177.16432	1.9
181.10304	1.8
181.12250	10.1
183.11659	2.5
184.07364	44.4
184.09007	2.7
185.13306	1.3
187.14771	1.6
191.10681	12.7
199.14832	1.4
209.11740	25.8
210.66974	1.5
213.16458	1.7
223.13287	2.0
227.12772	18.2
229.14357	7.7
243.21106	3.7
245.13831	8.7
247.65646	1.3
257.13876	1.3
259.20746	3.7
261.22150	15.3
265.14349	4.8
283.15405	31.3
299.23593	1.8
301.16498	62.2
307.22699	8.8
317.24741	3.6
335.25821	100.0
336.26245	3.4
369.92743	1.4
433.31076	1.7
451.31674	3.3
461.32501	4.2
469.33029	3.6
487.34229	1.7
525.36206	6.1
543.36853	40.4
544.37402	2.5
561.37897	78.9
562.37817	4.4
668.40576	3.0
677.29102	1.3
729.08661	1.7
758.42877	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	757.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02233	0.1
53.03930	0.2
55.01842	0.1
55.05483	0.2
57.03441	1.2
59.04964	0.1
59.59859	0.1
61.02930	1.1
68.99786	0.4
69.03391	0.5
69.69251	0.1
70.03474	0.5
70.06561	0.4
71.04997	6.4
72.08136	0.2
73.02921	0.6
75.04440	0.3
81.03416	0.2
83.04938	0.3
84.08135	0.2
85.02909	9.4
86.09699	0.2
87.04441	0.2
91.03970	0.7
95.65620	0.1
97.02889	1.0
98.21483	0.1
99.04430	0.1
107.04938	0.2
109.02863	0.2
111.00831	0.5
111.04389	0.3
121.02876	1.8
127.03873	0.5
129.05481	1.8
133.02818	0.4
133.63666	0.1
135.04402	0.1
137.02307	0.4
145.04913	0.4
145.06508	0.1
147.04356	0.3
147.06548	0.5
153.01840	2.1
157.06470	0.2
165.01857	1.3
171.04436	0.1
183.02890	0.7
185.05968	0.2
189.05377	0.1
213.05466	0.9
231.06496	0.4
241.04929	0.7
243.06500	0.1
258.05228	0.8
259.06058	0.4
270.04965	0.1
287.05505	100.0
288.05844	2.4
329.06528	0.3
423.41507	0.1
449.10831	18.6
450.10928	0.7
600.55292	0.1
711.95856	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	758.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
65.09480	0.4
65.87099	0.5
67.05474	0.6
68.04944	0.4
69.07034	0.5
69.69736	2.3
70.06600	6.0
70.31269	0.4
79.05451	0.6
81.07011	0.8
84.08073	0.5
89.05895	0.5
90.77586	0.4
91.05438	0.7
93.07007	0.7
105.07011	0.4
107.08549	0.5
109.10080	0.5
119.08519	0.5
136.18706	0.5
168.19804	0.4
184.07278	1.2
220.22571	0.4
426.13574	1.2
427.14175	0.6
440.15192	0.5
441.15555	2.4
454.12616	3.1
455.13458	14.8
456.14227	6.8
467.13638	0.7
468.14120	4.5
469.15137	69.2
470.15723	11.2
471.16577	2.5
481.15408	0.7
482.16006	6.6
483.16672	26.1
484.17270	5.2
485.17981	1.1
487.16360	2.1
496.17419	1.6
497.18347	19.3
498.18808	3.1
499.19931	1.2
501.17990	1.2
509.14261	0.6
510.17691	1.5
514.14819	4.4
515.19806	0.8
524.17084	1.7
528.16406	2.3
529.17242	11.3
530.17474	0.8
541.17291	0.9
542.18066	1.3
543.18890	3.5
552.00507	0.5
556.19440	3.8
557.20270	3.5
584.20197	0.5
585.24286	0.9
586.23743	0.5
611.21497	2.4
615.20709	0.8
616.21692	20.2
617.22266	1.0
630.23169	6.1
631.23517	0.8
643.24066	31.3
644.24677	10.1
645.25598	100.0
646.25891	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	757.2189
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
53.02233	0.1
53.03930	0.2
55.01842	0.1
55.05483	0.2
57.03441	1.2
59.04964	0.1
59.59859	0.1
61.02930	1.1
68.99786	0.4
69.03391	0.5
69.69251	0.1
70.03474	0.5
70.06561	0.4
71.04997	6.4
72.08136	0.2
73.02921	0.6
75.04440	0.3
81.03416	0.2
83.04938	0.3
84.08135	0.2
85.02909	9.4
86.09699	0.2
87.04441	0.2
91.03970	0.7
95.65620	0.1
97.02889	1.0
98.21483	0.1
99.04430	0.1
107.04938	0.2
109.02863	0.2
111.00831	0.5
111.04389	0.3
121.02876	1.8
127.03873	0.5
129.05481	1.8
133.02818	0.4
133.63666	0.1
135.04402	0.1
137.02307	0.4
145.04913	0.4
145.06508	0.1
147.04356	0.3
147.06548	0.5
153.01840	2.1
157.06470	0.2
165.01857	1.3
171.04436	0.1
183.02890	0.7
185.05968	0.2
189.05377	0.1
213.05466	0.9
231.06496	0.4
241.04929	0.7
243.06500	0.1
258.05228	0.8
259.06058	0.4
270.04965	0.1
287.05505	100.0
288.05844	2.4
329.06528	0.3
423.41507	0.1
449.10831	18.6
450.10928	0.7
600.55292	0.1
711.95856	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	756.5845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	8.1
56.05035	0.4
57.07082	0.5
58.06611	0.4
60.34800	0.3
67.05514	1.7
69.07089	1.7
69.21599	2.3
69.22018	1.0
70.06599	6.1
72.08163	2.0
74.06084	0.3
79.05506	0.5
81.03454	0.4
81.07063	2.1
82.06590	1.8
83.04968	1.0
83.06083	0.3
83.08623	8.4
84.04500	1.0
84.08157	2.8
85.02905	0.5
85.06542	0.5
86.09723	2.2
91.05489	0.6
93.07056	1.0
95.06094	0.8
95.08611	1.6
97.06526	0.4
98.06063	0.5
98.09734	1.5
100.07614	2.6
100.11263	48.1
107.08602	0.7
109.10130	0.7
110.06063	1.4
111.04453	4.6
112.07622	1.2
112.11236	1.0
115.08673	0.3
116.07095	0.8
117.13902	1.2
119.08577	0.4
120.08129	0.8
120.51051	0.3
121.10118	0.5
126.09152	1.1
127.08705	1.0
128.07088	3.2
129.10204	1.0
131.08534	0.4
136.07567	0.4
138.06653	0.6
139.08673	3.3
140.07106	1.5
141.47606	0.4
145.06056	0.4
147.04358	0.3
159.11700	0.4
164.14325	0.5
168.13887	0.4
175.11137	0.3
182.15414	16.6
183.15645	0.4
192.13878	0.7
194.81313	0.4
209.16499	20.6
210.14905	19.5
224.23778	1.8
226.19153	7.7
226.21419	0.6
227.17561	1.5
228.15953	1.3
250.21674	0.8
286.23743	3.5
291.07169	0.6
304.24835	6.6
304.28268	0.4
308.26956	0.9
326.27960	3.8
335.24442	1.4
336.22870	4.5
417.32059	0.5
431.50998	0.4
435.33340	11.1
436.33667	0.4
453.34399	100.0
454.34769	3.6
496.06506	0.4
574.05219	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.5775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06841	0.3
57.07084	4.5
60.90002	0.2
62.06067	0.3
69.57220	1.1
69.57629	0.6
70.06597	7.4
71.08630	2.2
85.10171	0.6
88.07098	0.6
88.07636	10.5
93.07030	0.4
98.20770	0.5
102.09177	2.7
106.08671	5.3
124.99983	0.4
126.18787	0.3
128.72427	0.3
152.28441	0.2
158.70842	0.2
162.16000	0.2
184.07356	0.7
240.26814	0.3
256.40231	0.3
258.27924	0.6
284.29495	4.2
302.30548	100.0
303.30948	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	756.5539
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96600	0.1
55.05511	0.2
56.05036	0.6
57.07070	0.3
58.06352	0.1
58.06628	0.3
59.04978	0.1
60.08164	5.5
67.05507	0.3
69.07092	0.2
70.06588	0.1
71.07372	3.4
71.07761	0.2
71.08606	0.2
71.42204	0.1
79.05493	0.2
81.07051	0.4
86.09705	29.2
87.10030	0.3
91.05505	0.2
93.07030	0.2
95.08575	0.2
98.98467	3.7
104.10744	2.1
105.07066	0.1
109.10154	0.1
124.73561	0.1
125.00005	19.6
131.68379	0.1
133.10194	0.1
143.01045	0.2
184.07338	100.0
185.07692	0.8
185.20670	0.1
364.91327	0.1
514.58136	0.1
585.44836	0.2
756.55255	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	756.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	3.8
53.03946	3.6
54.73716	0.9
55.01864	3.8
55.05270	1.5
55.05517	21.9
57.03447	11.5
57.07064	1.9
57.39874	0.9
59.05001	2.5
60.08171	1.5
61.02908	3.8
62.53104	0.9
65.03940	2.8
67.05511	52.4
69.03434	2.3
69.07079	10.6
70.06592	2.5
71.01366	1.9
71.04999	2.3
71.51519	1.6
73.02937	1.5
77.03909	1.0
78.04741	1.1
79.05501	34.1
81.03408	4.6
81.07066	49.0
83.04961	3.9
83.08632	14.6
85.02889	3.7
85.06552	2.0
86.09719	11.4
91.04905	1.5
91.05489	34.3
93.07052	44.5
95.04951	4.2
95.08614	33.3
97.02885	4.5
97.06540	4.9
97.10189	1.9
98.98450	1.6
99.00832	15.6
99.04469	1.2
99.08067	1.6
100.74019	0.9
101.54239	1.0
103.05456	1.4
105.07037	24.4
107.04967	5.4
107.08601	22.2
109.02895	12.6
109.06516	3.0
109.10170	17.0
111.04430	1.9
111.08095	3.8
115.03958	1.4
115.73517	1.1
117.07014	6.8
119.08588	13.7
121.06511	6.5
121.10143	17.1
123.04407	2.3
123.08067	2.0
123.11698	6.4
125.00023	6.6
125.09610	1.3
127.03922	2.9
128.06287	1.9
129.06989	1.9
131.08563	8.1
133.10144	35.2
135.11699	10.5
137.06010	2.1
137.09653	1.6
139.07526	2.0
139.11194	1.1
143.08582	7.3
145.06415	1.9
145.10146	6.8
147.04410	1.3
147.11719	5.2
149.09648	1.3
149.13307	4.9
151.11192	7.5
159.11690	3.8
161.09637	16.1
161.13284	3.9
163.14786	1.9
165.09190	1.3
171.08070	3.9
173.13268	3.5
179.10681	8.7
184.05794	2.2
184.07356	30.7
187.14795	2.1
189.09143	7.8
197.11775	2.6
207.10188	3.9
225.11243	15.2
227.12677	1.5
243.12231	2.6
243.21057	5.2
243.55115	1.2
247.33476	1.2
261.22156	16.3
277.21619	2.4
279.23248	1.4
281.13818	6.8
299.14917	78.6
315.23264	3.5
317.24664	3.2
335.25830	100.0
336.26047	1.9
435.27118	1.2
467.31830	5.0
485.32236	2.9
505.38937	1.8
513.35669	1.4
523.33936	1.5
531.36560	1.5
541.35272	11.3
548.47858	1.1
559.36389	51.3
560.36780	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	754.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05002	100.0
69.03440	0.9
70.06594	1.5
71.04990	0.5
71.39023	0.7
72.08174	0.7
73.02917	2.4
73.06557	7.9
74.02767	0.5
82.67655	0.5
84.08158	0.8
86.09748	0.6
87.03937	0.9
87.04471	18.6
89.06033	92.6
90.06376	1.0
94.06593	0.6
103.07584	86.6
104.07928	0.9
113.05973	1.2
115.07565	0.9
117.09136	7.2
130.67694	0.6
131.07040	4.6
133.08606	54.4
145.56062	0.5
147.10165	35.6
148.10362	0.7
159.10156	1.1
161.11697	2.0
175.09700	2.9
177.11237	17.4
191.12775	1.7
219.12218	1.1
221.13878	2.9
223.15501	0.5
265.16364	1.3
296.32074	0.5
315.65616	0.5
525.62695	0.5
737.43896	2.0
754.47772	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	753.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.05505	1.3
56.96569	0.3
57.03451	1.6
59.04990	0.5
60.54079	0.4
61.02931	5.6
61.83919	0.3
67.05511	6.5
69.03437	2.4
69.07072	0.9
70.90094	0.7
70.90430	0.4
71.01352	0.6
71.04989	0.5
73.02925	3.8
79.05501	4.1
79.63435	0.3
81.03407	1.7
81.07056	3.8
83.08620	0.6
85.02919	5.0
86.09717	0.4
87.04469	0.4
91.03973	3.2
91.05485	2.2
93.07054	4.1
95.04994	1.0
95.08631	2.1
97.02901	4.5
97.06523	0.4
98.97572	0.8
99.04498	0.8
101.02357	1.7
103.03996	0.4
105.07027	1.3
107.08613	1.7
109.02905	1.3
109.06494	0.4
109.10155	4.3
111.08106	0.4
115.03957	0.4
117.07061	0.5
119.08561	1.5
121.10136	2.5
127.03954	1.7
131.08591	0.6
133.10161	0.8
135.11745	0.8
145.04953	0.4
145.10165	0.5
147.11702	0.5
149.13264	0.4
158.99686	0.4
159.11749	0.6
162.00940	0.3
163.11197	0.4
165.54010	0.3
173.11812	0.7
184.07465	0.4
185.04218	0.7
189.16193	0.3
195.09956	0.6
203.05208	0.4
219.49861	0.3
229.14467	0.6
243.08423	1.3
307.22675	0.8
321.04980	0.7
391.37570	0.3
413.17929	4.1
455.10626	0.6
464.01480	0.4
491.26230	10.8
492.26810	0.5
663.37201	100.0
664.37408	5.3
707.39642	1.1
735.39246	0.6
753.39941	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	753.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	1.4
67.05521	3.0
69.03429	1.6
71.50871	1.4
73.48933	1.0
79.05503	2.9
81.03414	1.5
81.07085	3.4
84.08186	1.1
85.02939	5.2
91.04000	1.6
91.05496	1.6
93.07060	3.6
95.08635	1.4
97.02924	1.9
98.47140	1.3
105.07086	1.5
109.02897	1.4
109.10199	1.2
119.55511	1.1
121.10155	2.5
121.34474	1.1
141.01634	1.5
145.04936	1.2
187.58162	1.0
221.05206	1.4
285.06021	3.5
301.05280	7.6
303.07092	2.4
319.69827	1.2
321.91745	1.2
469.28433	1.3
475.30621	1.6
510.20148	2.6
530.03162	1.3
567.28424	1.2
573.30200	8.2
575.31970	31.5
753.36682	100.0
754.37335	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	752.5229
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	0.8
57.07078	0.1
58.06631	0.5
59.04998	0.2
59.07399	0.2
60.08169	6.3
65.42483	0.1
67.05515	0.4
70.06593	0.2
70.08530	0.5
71.06985	0.2
71.07380	3.7
72.42734	0.1
74.09730	0.2
79.05495	0.2
81.07049	0.3
86.09714	32.0
87.04491	0.2
87.10034	0.2
91.05512	0.2
93.07049	0.3
95.08596	0.2
98.98473	4.0
102.61713	0.1
104.07103	0.1
104.10755	1.9
125.00017	22.6
131.08626	0.1
143.01097	0.1
184.07356	100.0
185.07684	0.8
654.47949	0.2
730.34351	0.1
752.51727	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.05508	0.9
57.03429	1.7
59.05009	0.8
61.02927	4.3
65.03928	0.4
67.05510	3.7
69.03426	2.2
69.07063	0.8
70.93242	0.3
71.01350	0.5
71.04981	0.5
71.29096	0.5
71.29446	0.4
73.02922	3.4
76.77179	0.4
79.05499	4.6
81.03429	2.7
81.07061	3.3
83.04965	0.4
83.08617	0.7
85.02907	4.0
86.09695	0.5
87.04478	0.8
91.03954	2.7
91.05477	2.7
93.07053	4.1
95.04971	1.0
95.08608	2.4
97.02905	4.2
99.04445	0.6
101.02406	1.5
101.50141	0.4
103.03958	0.6
104.53198	0.4
105.07043	1.6
107.08624	1.8
109.02870	0.7
109.06516	0.5
109.10171	1.2
117.07026	0.5
119.08605	1.2
121.10163	2.2
125.09699	0.4
127.03952	1.2
129.07008	0.4
131.08582	1.1
133.10161	1.2
135.11731	0.6
147.08121	0.4
147.11732	1.0
149.09587	0.7
157.10258	0.4
184.07384	1.1
185.04276	0.6
188.55682	0.4
193.54659	0.4
203.05374	0.5
217.71773	0.4
243.08418	1.8
267.16101	0.7
283.15173	5.2
307.22867	1.3
312.15491	0.3
339.17792	0.6
491.26208	8.0
501.23068	4.8
560.01105	0.3
589.37543	0.4
751.42407	100.0
752.42627	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	750.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.1
56.05039	0.9
57.07078	0.1
58.06629	0.4
59.05003	0.5
59.07410	0.1
60.08167	6.4
62.80770	0.1
67.05505	0.4
69.23555	0.7
69.23964	0.2
70.06593	0.3
71.07378	4.2
79.05508	0.4
81.07045	0.2
86.09709	33.0
87.04476	0.5
87.10034	0.2
91.05490	0.3
93.07041	0.3
95.04941	0.1
95.08603	0.2
98.98467	4.4
104.10751	2.0
105.07062	0.1
107.08576	0.1
109.10135	0.1
109.54228	0.1
117.09080	0.1
119.08566	0.1
121.10125	0.1
125.00008	24.2
129.96416	0.1
135.11699	0.1
184.07347	100.0
185.07674	0.6
235.19815	0.1
250.19746	0.1
260.51920	0.1
323.66943	0.1
324.52313	0.1
518.32397	0.2
616.03131	0.1
655.65747	0.1
673.83954	0.1
750.50610	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	750.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.9
55.05275	1.5
55.05513	18.9
56.61943	1.4
57.03432	2.3
57.07071	2.5
64.37655	1.5
65.03945	2.5
67.05179	2.4
67.05513	29.5
69.03424	5.4
69.07082	17.0
70.06613	2.6
71.01348	1.6
71.50430	2.0
79.05074	2.0
79.05499	24.5
81.03423	1.9
81.07063	81.1
83.08617	7.3
85.02911	7.4
87.04471	2.2
89.06036	2.3
91.05488	25.2
93.07053	60.2
95.01315	5.7
95.04997	12.0
95.08617	60.9
97.02920	2.2
97.06546	7.2
97.10184	9.9
103.03944	5.2
105.07040	58.0
107.08597	57.6
109.06512	4.7
109.10167	57.8
111.08094	2.0
111.11702	2.4
113.02366	2.8
113.87039	1.6
114.35501	1.4
117.07036	8.1
117.88808	1.3
119.08589	73.3
121.06495	5.1
121.10155	48.3
123.08096	14.2
123.11713	14.4
125.09641	5.3
127.03947	1.6
128.06207	1.9
129.07021	3.6
130.07785	2.1
131.05034	1.5
131.08592	19.5
133.08635	1.7
133.10138	38.6
135.08116	7.1
135.11703	23.1
137.09647	2.4
137.13139	2.0
141.01859	6.8
142.07848	3.3
143.08586	8.2
144.09358	3.2
145.10136	39.4
147.11713	31.5
149.09608	4.1
149.13274	38.5
151.11201	2.4
155.08586	5.1
155.31737	1.4
156.09344	2.6
157.10139	14.9
158.10912	2.2
159.11702	49.7
161.09645	6.3
161.13264	34.7
161.14581	1.7
163.11195	3.9
163.14830	16.2
167.08539	2.0
168.09370	1.6
169.08838	2.1
169.10121	10.4
171.11688	14.6
173.09651	4.0
173.13271	34.4
173.14711	2.5
175.11276	8.7
175.14838	21.4
177.12796	4.2
177.16391	4.5
181.10139	1.8
183.11719	6.7
185.13293	6.7
187.11198	3.4
187.14830	54.8
187.16472	3.1
189.12827	7.6
189.16397	63.5
190.16745	1.7
191.14307	3.3
191.17957	3.8
195.11852	1.6
196.12592	2.2
197.13313	10.4
199.14870	4.5
201.12772	1.7
201.16400	16.4
203.14296	3.4
203.17984	22.5
205.15811	2.8
211.14841	15.0
213.16411	4.4
215.14333	8.9
215.17990	5.3
217.15883	2.0
225.16443	7.0
227.17957	12.2
229.16022	3.5
229.19524	47.3
239.18025	2.8
241.19514	2.7
257.22668	100.0
258.23007	3.6
267.21088	39.1
285.22147	98.2
286.22488	4.0
303.23175	2.1
359.25836	2.0
374.86786	1.5
377.26938	16.8
461.25150	8.4
571.38513	2.0
704.19336	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	750.391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.6
55.01865	5.8
55.05517	12.7
57.03423	4.7
57.07063	2.1
61.02923	3.3
65.03946	1.9
65.65243	2.0
67.05508	39.0
69.03436	18.8
69.07069	12.5
70.06580	5.6
71.04981	4.2
71.13799	1.7
71.50828	2.9
73.02896	2.6
77.03902	2.0
78.88240	1.6
79.05493	33.0
81.03430	17.0
81.07062	100.0
83.08611	7.5
84.04514	2.2
84.08135	3.3
85.02911	37.8
86.06070	3.9
86.09714	2.9
87.00831	16.1
87.03986	2.3
87.04466	16.9
87.63130	1.8
91.04002	2.3
91.05482	33.3
93.07047	63.8
95.04964	4.3
95.08614	52.5
97.02898	16.9
97.06526	2.3
97.10188	3.6
99.04430	8.3
104.07111	21.9
105.01855	14.1
105.04506	2.5
105.07034	64.0
107.08597	56.1
109.02896	13.5
109.06544	2.2
109.10160	33.6
111.08072	3.5
111.16295	1.9
117.07037	10.5
119.08587	53.6
121.06452	2.5
121.10155	39.0
123.11687	8.8
127.03922	24.9
129.07016	8.1
129.10208	2.0
130.07805	3.2
131.08565	27.3
133.10144	42.3
135.11702	35.5
137.09618	5.3
137.13249	3.7
139.11185	2.5
142.07748	2.3
143.08565	13.5
144.09355	3.6
145.05020	9.0
145.10133	41.2
145.11272	2.1
147.11702	33.2
149.13263	23.0
151.11172	4.4
155.08549	2.0
156.09311	2.3
157.10127	16.0
159.02896	8.4
159.11694	38.8
161.13284	25.3
163.11174	2.4
163.14822	11.0
165.12689	3.9
171.11652	14.5
173.13257	26.8
175.14841	16.5
177.16339	4.6
183.11729	3.7
185.13312	9.2
187.14819	17.1
189.16397	8.3
193.15901	2.2
197.13367	2.7
199.14827	13.6
201.16437	8.8
205.15903	4.6
211.14784	2.4
213.16406	30.0
214.91577	1.8
215.17787	2.7
217.15977	3.0
227.17914	8.7
229.19511	24.7
231.04984	6.6
231.17380	2.3
241.19566	2.9
265.12378	4.2
269.22647	54.8
287.23709	24.5
296.16562	4.6
305.24683	2.8
369.19440	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.1
55.01876	3.6
55.05516	17.2
55.13946	2.2
57.07071	3.5
65.03922	4.9
65.11293	2.3
67.05506	34.9
69.03419	13.7
69.07075	20.9
70.06591	5.2
70.10315	6.2
70.10709	4.1
71.04994	6.7
72.08162	3.7
79.05495	29.3
81.03410	7.1
81.07058	100.0
83.04976	7.6
83.08629	5.8
85.02911	22.4
85.06562	2.9
86.06078	6.7
87.00834	8.7
87.04482	16.7
91.05479	29.4
93.06483	4.3
93.07050	66.8
95.04986	5.8
95.08611	65.9
97.02898	9.0
97.06493	5.0
97.10175	4.7
98.20842	3.2
99.04433	4.5
104.07107	20.3
105.01870	7.6
105.07042	59.1
107.08597	58.1
109.02888	6.8
109.06525	7.1
109.10162	48.9
111.08100	6.3
111.11729	3.5
117.06999	10.7
119.08585	69.5
121.10156	39.1
123.08077	4.9
123.11738	11.2
125.09646	5.1
127.03915	11.0
128.06239	4.2
129.06999	6.2
131.08557	22.4
132.40654	2.5
133.10143	36.9
135.11696	29.6
137.09604	5.5
137.13310	2.8
139.11159	2.4
142.07822	7.0
143.08585	13.4
144.09317	3.2
145.04926	7.3
145.10139	34.6
147.11691	34.3
149.13269	18.3
151.11177	4.4
156.09370	3.4
157.10147	22.5
158.10902	3.8
159.02988	4.2
159.11719	37.9
161.13263	26.9
163.14827	13.0
165.12758	5.5
169.10199	3.1
171.11688	21.4
173.13243	28.1
175.14827	23.7
177.16321	6.9
185.13321	13.1
187.14864	8.7
189.16460	8.4
190.55608	2.6
191.18019	3.2
193.68806	2.3
199.14847	17.7
201.16373	14.3
203.18011	5.4
205.15956	8.5
213.16405	30.7
214.17027	2.5
215.18097	2.7
219.17532	5.3
227.18008	8.5
229.19545	7.7
231.17372	3.1
241.19693	4.1
249.05966	3.1
260.87784	2.2
269.22647	56.8
287.23700	27.2
320.82309	2.4
340.89105	2.5
607.76086	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	750.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.05516	16.7
57.03437	3.6
57.07074	3.9
62.24449	1.5
65.03928	3.2
67.05507	29.4
69.03413	4.0
69.07075	17.1
69.65353	9.2
71.01344	2.0
71.04996	1.7
75.04501	2.0
79.05497	19.9
81.07059	76.9
83.04974	1.8
83.08617	5.8
85.02894	6.2
85.06542	2.0
91.05489	23.7
92.88034	1.8
93.07048	59.2
93.07640	2.9
94.85149	1.2
95.01311	4.4
95.04961	9.3
95.08614	62.2
95.34649	1.4
96.08965	1.4
97.06539	4.0
97.10170	7.0
98.21456	1.6
99.04424	1.4
100.40494	1.4
103.03946	1.9
103.05477	2.3
105.07031	56.7
107.07874	3.2
107.08599	58.8
109.06528	3.6
109.10161	50.7
110.70147	1.3
111.08102	2.3
113.02390	2.6
117.07028	8.3
119.08588	71.3
121.06497	4.0
121.10150	50.1
123.08072	13.9
123.11729	14.8
125.09632	4.2
127.11070	1.4
127.57828	1.3
128.06339	1.5
129.07069	2.1
131.08568	22.2
133.10143	35.7
135.08060	5.8
135.11705	24.2
137.09615	2.0
141.01849	7.3
142.07808	2.7
143.07065	2.0
143.08565	9.3
144.09369	2.5
145.10126	33.1
147.11697	35.2
149.09605	5.4
149.13264	38.1
155.08580	5.2
156.09392	2.5
157.10155	15.4
159.11694	56.8
161.09637	5.8
161.13252	31.4
163.11261	3.2
163.14821	15.2
169.08698	2.4
169.10132	11.1
171.11703	11.8
172.12448	2.2
173.09634	3.9
173.13258	36.1
175.11232	7.7
175.14819	21.0
177.12721	2.5
177.16333	2.9
183.11687	5.6
185.13390	8.9
187.11185	2.7
187.14836	60.4
188.15265	1.5
189.12843	8.5
189.16385	58.6
190.16820	2.3
191.14304	3.0
191.18112	3.2
197.13284	11.0
199.14854	4.8
201.12798	2.7
201.16383	16.7
203.14310	2.5
203.17966	22.1
205.15843	3.0
207.29465	1.7
211.14824	12.4
213.16357	5.0
215.14392	10.2
215.18010	6.6
221.13277	1.7
225.16331	4.4
227.17911	12.6
229.15889	5.7
229.19521	56.6
229.21829	2.9
243.17406	1.6
257.22653	100.0
258.22916	4.1
267.21078	34.8
268.21201	1.5
280.11557	1.7
285.22125	95.0
286.22455	2.3
303.23203	3.3
359.25763	5.4
377.26968	17.3
443.24228	3.2
461.25385	6.5
535.29053	2.2
553.30273	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	748.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.2
55.01865	2.6
55.05521	16.5
57.03444	16.7
57.07079	6.0
59.04992	4.9
60.08170	2.8
61.02923	2.6
65.03943	2.8
66.74249	1.0
67.05511	56.3
69.03419	1.9
69.06734	1.7
69.07076	20.6
69.23015	10.1
71.05005	3.1
71.08646	1.4
79.05496	26.8
80.43414	1.0
81.03426	63.8
81.07064	61.5
83.04986	5.3
83.08628	22.2
85.02901	2.1
85.06554	1.8
85.10230	1.1
86.09715	16.5
89.06039	1.3
91.05488	25.9
93.07049	19.0
95.04975	19.9
95.08623	37.1
95.64226	1.2
97.02894	2.2
97.06529	3.7
97.10188	8.6
99.08081	3.8
105.07041	21.6
107.04990	7.8
107.08607	11.5
109.06509	4.7
109.10166	13.6
110.36768	1.0
111.04498	2.0
111.08070	7.2
117.07031	2.2
119.07782	2.1
119.08589	16.7
121.06509	1.6
121.10152	11.9
123.04450	1.1
123.08072	2.8
123.11705	8.5
125.00014	10.9
125.09638	4.6
126.75107	1.2
129.07019	10.7
131.08609	8.5
133.06480	3.7
133.10139	13.2
135.08038	1.4
135.11693	6.9
137.09625	2.6
137.13304	2.2
137.51186	1.1
139.11200	1.2
142.07735	2.8
145.10156	3.6
147.08063	2.8
147.11688	12.1
149.09671	3.0
149.13338	2.7
151.14899	2.5
157.10143	8.4
159.11633	2.4
161.13231	4.6
163.11156	1.8
165.12750	2.4
175.11249	7.0
175.14853	2.0
184.07356	51.2
185.07730	1.5
185.13245	1.7
188.89523	1.2
193.12270	21.3
211.13245	2.2
217.19489	9.5
225.34277	1.1
227.12672	2.3
235.20604	12.2
249.14951	1.6
257.42377	1.1
259.13455	1.7
267.15933	100.0
268.16217	2.2
275.23660	2.9
280.73938	1.2
301.14389	1.4
309.24255	84.9
310.24554	2.2
313.27332	1.6
407.24258	2.2
409.30954	2.2
427.31992	6.0
501.35803	66.1
502.36081	3.5
519.36816	34.7
533.38226	2.3
543.36664	4.9
748.45721	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	748.4766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.2
55.01870	0.2
55.05520	1.0
56.05035	0.7
57.03444	0.6
57.07074	0.9
58.06613	0.4
59.05011	0.4
60.08169	6.4
61.02933	0.3
67.05508	3.1
69.03431	0.4
69.07072	1.9
69.61742	0.7
70.06608	0.3
71.07380	3.2
71.08626	0.9
73.06555	0.5
79.05499	2.2
80.05836	0.2
81.03422	0.5
81.07063	4.8
83.04984	0.2
83.08621	0.5
85.02913	0.6
85.06532	0.2
85.10191	0.8
86.09712	28.8
87.04469	0.4
87.10047	0.5
89.06033	2.7
91.05490	1.9
93.07050	2.1
95.04982	0.4
95.08611	1.7
97.02908	0.3
97.06537	0.6
97.10195	0.3
97.74566	0.2
98.21521	0.2
98.98473	3.2
99.08089	0.2
104.07093	0.2
104.10749	2.4
105.07059	1.0
106.07344	0.2
107.08613	1.2
109.10177	0.9
111.08109	0.2
115.07551	0.3
117.07014	0.4
117.09150	0.3
119.08583	0.6
121.10167	0.7
123.11716	0.2
125.00013	20.8
127.07540	0.2
131.08588	0.4
133.08626	1.4
133.10124	0.9
134.10445	0.2
135.08087	0.3
135.11723	0.7
143.08572	0.2
145.08636	0.2
145.10173	0.4
147.11716	0.2
149.13223	0.3
151.11166	0.3
159.11749	0.2
175.09692	0.2
177.11243	0.7
184.07353	100.0
185.07736	1.0
186.07721	0.2
199.09792	0.3
201.11122	0.9
226.02319	0.2
229.21567	0.2
234.19293	0.3
261.22125	0.3
273.13251	0.3
299.14923	0.8
307.22595	0.8
308.22900	0.6
309.24197	0.9
317.15930	0.6
318.16110	0.2
319.16608	0.3
335.25784	1.6
533.34454	0.5
551.34479	0.5
657.25836	0.3
712.45648	4.2
713.46234	0.2
748.44897	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.4755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.01864	4.9
55.05504	6.1
56.81686	0.5
57.03432	1.5
57.07079	12.2
59.05001	3.6
60.08138	1.5
62.06091	0.7
64.73604	0.7
64.91668	0.6
67.05507	8.6
68.38116	0.6
69.07073	7.6
70.06584	0.9
71.08640	8.1
71.50683	0.9
79.05498	5.5
81.07056	27.0
83.04969	2.1
83.08628	5.2
85.06572	0.7
85.10176	5.0
86.09722	3.6
89.06007	1.4
91.05466	2.5
91.91234	0.6
93.07040	4.9
95.04941	1.1
95.08610	12.3
97.06521	1.6
97.10175	1.6
101.09643	0.8
105.07025	3.6
107.08606	5.5
109.06518	10.7
109.10150	6.3
111.04449	15.2
111.08096	1.0
113.05989	0.8
117.09132	1.1
119.08577	3.9
121.10175	5.0
123.08055	2.5
123.11697	2.6
125.00009	2.2
125.05998	6.2
129.07010	0.7
131.08577	3.2
133.10149	5.2
135.08070	3.4
135.11681	3.6
137.05983	100.0
137.13231	1.9
138.06305	1.4
143.08553	1.1
145.10172	1.5
147.08047	1.9
147.11667	7.4
149.09601	3.9
149.13235	1.9
151.07524	2.9
151.11163	1.8
155.00839	0.8
157.10184	2.2
159.11685	1.4
161.09631	6.9
161.13239	2.6
163.11142	2.4
163.14828	1.2
165.07747	0.6
165.09111	2.5
165.12781	1.2
167.10707	1.1
171.11720	1.8
173.13193	1.0
175.11168	5.6
175.14819	1.5
177.09099	0.7
179.10675	2.3
181.12262	1.1
184.07356	11.5
189.12766	1.5
193.12201	1.4
195.00345	2.5
203.17955	8.2
213.16341	2.6
221.18982	1.3
228.10196	1.5
231.17442	8.2
241.15919	1.2
249.18518	6.2
267.15744	1.0
276.19531	1.0
277.18002	54.6
278.18320	1.1
282.27957	2.5
289.92441	0.8
295.19064	8.2
313.27371	18.2
320.22253	6.4
338.23248	0.8
351.21713	11.1
407.74545	0.7
576.39703	1.2
589.44641	84.1
590.44940	4.2
605.27509	1.5
607.45648	15.8
608.46045	0.9
698.36761	1.1
712.45093	0.9
730.46100	2.1
748.48553	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	748.4694
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79030	0.6
53.03946	0.8
55.05272	1.0
55.05518	16.3
57.03442	1.1
57.07081	5.7
59.04750	0.8
59.05010	9.1
61.02918	1.5
67.05515	5.2
67.47859	0.6
69.03429	4.3
69.07072	28.8
70.06591	6.8
70.39828	2.0
71.04998	0.6
71.06956	0.6
71.08633	4.5
72.08160	1.4
72.31656	0.6
73.02906	1.0
73.06557	2.0
79.05481	1.2
81.03427	1.2
81.07075	4.4
83.08618	14.6
84.08157	1.3
85.02914	8.5
85.06599	0.6
85.10181	4.0
86.09697	2.0
87.03935	1.0
87.04475	27.9
89.06038	42.6
91.05511	0.9
93.07031	1.6
95.04991	0.9
95.06084	0.8
95.08614	6.4
97.02917	3.1
97.10176	27.4
99.04446	0.8
103.03951	100.0
103.07584	3.9
104.04331	0.8
104.07101	0.8
105.07073	0.7
107.07072	4.5
107.08581	1.1
109.10148	3.4
110.38853	0.6
111.11735	15.1
116.07115	0.9
117.09134	0.9
119.07039	1.6
120.08105	0.7
121.08621	1.8
121.10125	1.3
123.11689	1.4
125.13276	2.5
127.03912	2.2
129.99216	0.7
131.07071	5.8
133.08614	20.7
136.06238	0.7
145.04973	0.7
147.06535	11.0
151.09621	3.1
163.09709	2.3
165.16408	1.6
166.17731	0.6
175.09631	3.6
177.11270	9.1
183.17505	2.3
184.07410	0.7
185.19022	5.4
190.15302	0.6
191.09158	8.7
195.50966	0.6
207.12236	4.5
219.12378	1.4
221.13794	2.5
227.20116	1.7
229.21667	3.4
235.11810	9.1
239.14885	1.0
251.14998	0.7
253.16533	1.2
255.23299	1.3
269.16168	0.7
273.24255	8.2
279.14447	2.2
283.17441	1.1
297.15527	1.2
297.19061	1.2
313.18512	0.8
317.26834	6.1
323.17114	1.7
339.20264	2.2
341.18286	1.5
341.21808	2.1
361.29468	2.0
362.90976	0.7
367.19470	0.8
385.20728	10.5
405.32135	1.8
437.34641	0.9
477.42651	0.7
523.38361	2.4
551.37665	1.8
569.38953	22.6
570.39172	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.8
54.77854	1.0
55.01881	5.2
55.05516	49.0
57.03444	21.8
57.07087	1.4
59.05006	5.9
60.08162	2.0
60.21451	0.8
61.02932	5.0
65.03937	4.7
67.05510	100.0
69.03424	3.7
69.07076	18.8
70.75596	2.7
71.04996	6.1
71.07380	1.0
73.02914	1.5
75.38068	1.0
77.03931	1.2
79.05500	74.1
81.03423	8.4
81.07063	64.8
82.07384	1.4
83.04989	6.4
83.08149	1.5
83.08626	20.0
85.02444	1.2
85.02912	17.3
85.06532	5.3
86.09720	12.3
87.04477	6.6
91.03944	1.7
91.05491	36.6
93.07052	62.5
95.04966	8.8
95.08616	38.4
97.02872	5.4
97.06522	5.2
97.10178	23.1
99.08099	3.4
103.03958	3.0
105.04542	2.4
105.06400	1.7
105.07047	22.5
107.04953	3.2
107.08602	32.6
109.06542	2.5
109.10167	49.0
111.04462	1.2
111.08107	4.1
117.07014	8.1
119.08597	17.3
121.06555	1.7
121.10149	32.5
123.08083	2.3
123.11770	4.8
125.00002	7.5
125.09634	21.4
129.07010	4.1
131.08600	13.7
133.10135	16.8
135.08008	2.5
135.11711	18.6
137.09612	2.5
139.11215	3.1
143.08597	2.4
143.10680	4.9
145.10130	12.9
147.08018	1.5
147.11676	7.4
149.09610	2.1
149.13268	6.6
151.11192	2.1
153.12723	1.9
155.10674	3.5
157.10149	3.8
159.11673	8.3
161.13246	2.7
163.11220	7.3
165.12769	1.1
169.10149	1.7
171.11699	3.2
173.09828	1.2
173.10327	1.3
173.11749	8.9
173.13304	5.6
175.11145	1.4
175.14880	1.4
177.12807	1.7
181.12250	1.8
183.11771	1.9
184.07364	36.0
185.07620	1.3
185.13229	1.4
187.14891	2.1
189.11266	2.0
189.12825	1.4
191.10684	1.3
193.12248	3.3
195.09329	1.1
199.13287	8.2
203.12737	1.3
203.17822	1.2
205.19531	1.8
211.13329	1.4
213.16386	1.8
215.17953	14.6
217.14386	2.5
223.12370	1.0
227.12711	6.0
229.14359	28.1
231.17546	1.9
233.19070	8.0
245.13861	2.0
251.11865	1.9
257.13885	1.4
259.80176	1.2
267.15875	4.3
283.15387	1.9
297.12247	1.5
301.16479	14.7
305.21353	1.5
307.22699	62.8
308.23013	1.5
311.10275	1.9
319.17575	2.0
335.22165	1.9
339.13480	6.2
348.35510	1.1
431.31497	1.7
449.32593	10.1
461.32874	10.1
470.17102	1.1
496.32117	1.2
515.33740	2.9
533.34827	6.4
551.35754	6.8
712.45435	1.4
717.27075	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.0
55.01870	6.3
55.05515	49.6
57.03192	2.0
57.03441	17.6
57.07067	2.6
59.04980	3.0
61.02924	4.5
65.03924	4.8
67.05509	100.0
69.03419	5.1
69.07075	18.8
69.24348	3.7
69.24760	7.0
71.04982	4.6
73.02914	1.9
79.05499	71.6
80.36645	1.0
81.03432	6.4
81.07064	62.8
83.04979	6.8
83.08625	17.3
85.02909	17.1
85.06536	4.0
86.09729	1.5
87.04479	6.8
91.03938	1.7
91.05485	37.0
93.07052	61.7
94.07415	1.4
95.04983	7.1
95.08613	39.1
97.02888	4.6
97.06541	4.5
97.10176	24.5
98.98547	1.3
99.08063	3.4
103.03979	1.2
105.04528	1.9
105.07038	19.1
107.04977	2.1
107.08605	31.1
109.06521	2.7
109.10161	51.2
111.04389	1.4
111.08096	5.5
117.07023	10.5
119.08593	15.5
121.06517	1.4
121.09345	2.2
121.10158	30.0
123.08046	3.0
123.11738	5.4
125.09635	23.7
129.07002	3.3
131.08572	13.8
133.10141	14.7
135.08005	1.9
135.11694	18.4
137.09612	5.1
139.11134	1.5
143.08531	3.2
143.10651	3.8
145.10133	14.6
147.11662	6.5
149.09616	4.3
149.13304	8.5
151.11218	2.6
151.81715	1.1
153.12794	1.8
155.08623	1.2
155.10655	5.8
157.10095	2.8
159.11696	8.1
161.13206	2.8
162.85710	1.4
163.11206	7.2
171.11658	3.7
173.09636	1.8
173.10342	1.4
173.11731	12.4
173.13274	6.2
175.11281	1.6
177.12662	1.6
181.12218	1.9
183.11578	1.7
184.07320	3.7
185.13295	1.4
187.11066	1.8
187.14874	1.5
191.10692	1.2
191.14355	1.2
193.12277	2.1
199.13307	12.2
205.19537	2.8
209.11761	2.2
211.13107	1.3
213.16423	2.0
215.17969	18.9
217.14326	3.2
227.12720	6.7
229.14363	45.8
230.14738	1.6
231.17297	2.3
233.19069	10.0
234.19127	1.2
241.14351	1.1
245.13805	2.6
257.13724	1.3
257.19421	1.4
267.15988	3.4
280.92154	1.6
283.15448	1.8
289.21655	2.0
301.16492	16.1
307.22702	80.6
308.22910	2.8
319.17596	1.3
323.21603	1.6
335.22183	2.4
402.66248	1.2
431.31512	2.6
449.32629	12.4
461.32608	17.6
533.34424	5.9
551.35699	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	748.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	11.0
55.01866	2.1
55.05516	14.4
57.03444	13.7
57.07066	4.2
59.01387	1.1
61.02925	1.8
65.03932	2.2
67.05511	38.8
68.99774	4.4
69.03434	20.2
69.07067	19.8
70.24439	4.3
71.04989	4.2
73.02901	3.8
77.03925	2.2
79.05499	29.5
81.03427	26.6
81.07066	100.0
83.05004	2.0
83.08630	7.1
85.02914	29.4
87.00815	2.1
91.05487	33.8
93.07053	70.6
95.04968	5.4
95.08616	77.8
97.02898	37.9
97.06537	1.6
97.10163	5.3
98.20888	1.8
99.04462	9.1
101.02392	71.0
103.05452	1.4
105.04498	2.1
105.07041	57.9
107.08607	77.5
109.02893	39.7
109.06509	2.5
109.10167	61.0
111.11739	2.9
115.03948	2.1
117.06995	6.7
119.03432	96.3
119.08591	60.2
121.10155	54.0
121.11042	2.0
123.11713	21.8
127.03926	42.2
129.01819	1.6
129.06987	2.0
131.03419	13.1
131.08585	13.5
133.09137	1.5
133.10149	29.2
135.10709	1.7
135.11711	30.1
137.13249	3.4
144.09349	2.0
145.04991	14.2
145.10149	21.2
147.11705	30.1
149.13272	33.9
157.10097	2.4
158.10739	1.4
159.11703	28.1
161.04492	2.6
161.13277	32.8
163.14835	28.7
171.11740	1.8
173.04491	20.0
173.13280	14.0
175.14856	18.9
177.16411	15.0
185.13297	1.3
187.14775	8.8
189.16382	12.8
191.18008	2.3
201.16415	18.2
203.17969	10.3
213.16397	2.5
215.17976	32.1
227.05574	2.3
227.17860	1.5
229.19522	4.3
245.06578	11.4
263.07660	3.8
271.21286	2.3
271.24246	47.5
272.24301	1.4
289.25247	4.8
326.24631	1.5
379.26401	1.5
506.04639	1.5
550.40466	1.4
719.80707	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	748.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35625	1.3
53.03946	5.6
53.87992	1.3
55.01862	4.9
55.05521	8.8
57.03439	2.3
59.05011	1.3
59.05390	1.3
61.02935	3.0
64.52238	1.6
65.03942	2.1
67.05509	22.1
69.03442	12.2
69.07081	11.3
70.06607	8.0
70.99110	3.3
71.04993	3.9
72.08149	4.9
73.02903	1.6
79.05498	26.8
81.03435	14.5
81.07068	100.0
83.04985	1.8
83.08625	5.8
84.04523	2.8
84.08152	3.5
85.02914	28.0
86.09715	5.1
87.00841	5.6
87.04485	2.2
89.06054	2.5
90.97832	1.4
91.05492	27.2
91.37679	1.3
93.07057	43.3
95.04967	4.8
95.08625	34.7
97.02908	9.0
97.06530	3.9
97.10176	1.3
99.04472	4.5
104.07120	2.5
105.01886	4.5
105.07044	43.3
107.08619	28.5
109.02895	9.0
109.06535	9.9
109.10178	21.8
110.07175	2.0
111.08045	8.0
111.11684	1.8
117.01905	1.7
117.07025	9.2
119.08590	31.8
120.08076	2.1
121.06502	3.8
121.10171	13.0
123.08069	2.7
123.11731	5.1
127.03930	16.8
128.06252	2.3
129.01808	1.5
129.07024	5.0
129.10236	1.6
130.07748	2.0
131.08603	21.2
133.06438	1.7
133.08626	2.5
133.10158	27.7
135.08066	3.7
135.11702	27.7
137.09645	5.1
141.06973	2.2
142.07816	5.4
143.08592	12.6
144.09383	1.8
145.04967	5.1
145.10136	16.9
147.08089	2.3
147.11725	15.9
149.09673	2.5
149.13307	7.2
151.11211	9.8
155.08546	5.3
156.09396	2.9
157.10139	11.0
159.02884	5.4
159.11717	16.0
161.09618	5.0
161.13286	12.2
163.11272	2.0
163.14883	1.8
169.10141	7.5
171.11717	10.5
173.13260	12.5
175.11136	3.1
175.14845	21.4
177.11372	1.4
177.12784	4.9
177.16438	3.1
182.10924	2.2
183.11719	5.9
185.13347	10.8
187.14815	8.7
189.12720	10.8
189.16470	2.8
191.14365	5.3
193.15892	7.8
195.11772	1.7
197.13310	6.3
199.14847	12.1
201.12683	1.5
201.16400	5.6
201.43292	1.4
203.14349	9.7
204.15135	13.6
205.15869	4.9
209.15414	2.2
211.14879	6.8
212.06548	1.5
215.14394	1.6
215.17958	2.2
217.15923	6.9
225.16389	3.4
227.17932	11.5
229.15933	2.5
229.19543	5.5
231.04970	2.6
245.19038	18.3
257.22729	4.6
267.21118	24.0
285.22150	27.1
303.23227	35.6
327.19843	2.0
405.88638	1.6
748.33411	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	748.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35625	1.3
53.03946	5.6
53.87992	1.3
55.01862	4.9
55.05521	8.8
57.03439	2.3
59.05011	1.3
59.05390	1.3
61.02935	3.0
64.52238	1.6
65.03942	2.1
67.05509	22.1
69.03442	12.2
69.07081	11.3
70.06607	8.0
70.99110	3.3
71.04993	3.9
72.08149	4.9
73.02903	1.6
79.05498	26.8
81.03435	14.5
81.07068	100.0
83.04985	1.8
83.08625	5.8
84.04523	2.8
84.08152	3.5
85.02914	28.0
86.09715	5.1
87.00841	5.6
87.04485	2.2
89.06054	2.5
90.97832	1.4
91.05492	27.2
91.37679	1.3
93.07057	43.3
95.04967	4.8
95.08625	34.7
97.02908	9.0
97.06530	3.9
97.10176	1.3
99.04472	4.5
104.07120	2.5
105.01886	4.5
105.07044	43.3
107.08619	28.5
109.02895	9.0
109.06535	9.9
109.10178	21.8
110.07175	2.0
111.08045	8.0
111.11684	1.8
117.01905	1.7
117.07025	9.2
119.08590	31.8
120.08076	2.1
121.06502	3.8
121.10171	13.0
123.08069	2.7
123.11731	5.1
127.03930	16.8
128.06252	2.3
129.01808	1.5
129.07024	5.0
129.10236	1.6
130.07748	2.0
131.08603	21.2
133.06438	1.7
133.08626	2.5
133.10158	27.7
135.08066	3.7
135.11702	27.7
137.09645	5.1
141.06973	2.2
142.07816	5.4
143.08592	12.6
144.09383	1.8
145.04967	5.1
145.10136	16.9
147.08089	2.3
147.11725	15.9
149.09673	2.5
149.13307	7.2
151.11211	9.8
155.08546	5.3
156.09396	2.9
157.10139	11.0
159.02884	5.4
159.11717	16.0
161.09618	5.0
161.13286	12.2
163.11272	2.0
163.14883	1.8
169.10141	7.5
171.11717	10.5
173.13260	12.5
175.11136	3.1
175.14845	21.4
177.11372	1.4
177.12784	4.9
177.16438	3.1
182.10924	2.2
183.11719	5.9
185.13347	10.8
187.14815	8.7
189.12720	10.8
189.16470	2.8
191.14365	5.3
193.15892	7.8
195.11772	1.7
197.13310	6.3
199.14847	12.1
201.12683	1.5
201.16400	5.6
201.43292	1.4
203.14349	9.7
204.15135	13.6
205.15869	4.9
209.15414	2.2
211.14879	6.8
212.06548	1.5
215.14394	1.6
215.17958	2.2
217.15923	6.9
225.16389	3.4
227.17932	11.5
229.15933	2.5
229.19543	5.5
231.04970	2.6
245.19038	18.3
257.22729	4.6
267.21118	24.0
285.22150	27.1
303.23227	35.6
327.19843	2.0
405.88638	1.6
748.33411	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	748.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.7
55.01866	5.0
55.05518	12.9
57.03442	4.7
59.05007	2.8
61.02918	3.2
65.03936	3.6
67.05510	27.7
69.03433	17.5
69.07075	12.0
69.34224	11.5
70.06599	9.7
71.04992	3.5
72.08144	4.4
73.02921	3.4
79.05060	2.8
79.05500	29.9
81.03433	13.8
81.07066	100.0
82.07381	1.5
83.04991	3.7
83.08629	7.6
84.08152	4.1
84.53197	1.7
85.02906	28.5
85.40760	1.5
86.09702	4.6
87.00834	6.2
87.04469	3.3
89.06027	4.8
91.03956	2.0
91.05488	27.5
93.07058	42.2
95.04974	6.4
95.08617	38.0
97.02906	11.0
97.06537	4.2
99.04462	3.2
104.07108	2.6
105.01866	6.4
105.07042	47.9
107.04980	1.9
107.08607	31.4
109.02888	10.6
109.06545	10.6
109.10177	20.2
110.07157	1.7
111.08089	8.0
111.11789	1.8
116.30652	1.8
117.07002	8.2
119.04946	1.8
119.08591	37.8
120.08113	2.1
121.06504	3.3
121.10153	17.5
123.08073	3.0
123.11748	3.8
125.09644	2.2
127.03928	14.1
128.06180	2.7
129.07005	7.4
131.08583	24.7
133.08623	3.1
133.10149	30.8
135.08067	2.4
135.11713	31.6
137.09581	3.8
137.13319	2.2
142.07787	6.3
143.08583	16.6
144.09332	4.0
145.04948	6.5
145.10123	23.7
147.08041	5.4
147.11700	17.9
149.09628	4.3
149.13272	8.5
151.11232	12.3
152.25273	1.6
154.07735	2.1
155.08572	8.2
156.09361	2.3
157.10146	13.6
159.02917	5.3
159.11732	18.1
161.09660	8.3
161.13266	12.6
163.11232	4.2
163.14848	2.1
165.12708	2.0
167.08624	2.3
169.10150	7.6
170.11034	1.9
171.11703	11.3
173.13257	10.2
175.14851	21.9
177.11322	2.4
177.12764	6.6
183.11720	4.5
184.08661	1.7
185.13269	11.5
187.14876	10.6
189.12810	8.8
189.16411	3.2
191.14337	4.5
193.15916	7.7
197.13277	8.3
199.14841	12.9
201.12752	2.5
201.16400	5.1
203.14294	9.4
204.15105	15.4
205.15956	4.0
211.14857	9.6
213.16504	2.2
217.15910	7.9
221.15358	2.8
225.16351	4.1
227.18001	7.8
229.15955	1.9
229.19559	5.5
231.04976	4.1
239.18010	3.1
245.19060	17.4
257.22641	6.1
267.21085	25.4
285.22159	31.4
303.23242	34.8
701.59424	1.7
748.36584	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	748.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.6
55.05517	30.3
57.03429	6.3
57.07075	8.7
65.03957	2.2
67.05508	35.6
69.03433	19.3
69.07069	39.2
69.68591	2.1
70.18201	4.2
71.04995	6.2
73.06551	5.2
75.04490	6.5
79.05500	26.5
81.03424	15.3
81.07062	100.0
83.08618	22.6
85.02907	35.6
87.00836	11.0
87.04472	4.7
89.06037	75.0
91.05486	21.2
93.07048	94.0
93.78888	2.5
95.04993	8.6
95.07988	3.9
95.08612	83.2
97.02884	30.4
97.06539	3.4
97.10180	23.5
99.04471	9.2
105.01868	8.6
105.04539	2.9
105.07038	33.2
107.08601	78.6
109.02886	7.5
109.06520	2.6
109.10164	50.3
111.08108	6.5
111.11732	9.0
113.06002	3.6
117.07007	4.6
117.09189	4.3
119.08587	31.5
121.10148	87.7
123.08090	7.7
123.11695	19.6
125.13303	2.4
127.03928	34.0
131.08560	8.0
133.08617	46.5
133.10139	21.2
135.08081	3.1
135.11703	37.2
137.09679	4.3
137.13232	5.6
139.07574	2.8
141.09113	2.7
145.04964	28.2
145.10123	11.6
147.08165	2.7
147.11710	20.2
149.13272	87.5
157.10120	2.5
159.11674	16.9
161.13257	18.6
163.14821	24.9
167.10713	2.8
171.11658	3.3
173.13303	12.0
175.11176	4.4
175.14833	13.6
177.11244	20.3
177.16371	4.0
187.14809	12.6
189.12724	2.9
189.16458	8.6
191.17986	10.6
197.13229	2.5
201.16386	7.3
203.18016	10.2
207.13850	4.2
211.14880	2.6
215.17981	7.2
221.13734	2.8
221.15556	2.5
227.17857	3.0
229.19519	23.5
231.05019	21.3
233.15332	5.5
235.17017	2.9
237.03822	2.5
244.29828	2.4
247.16896	3.3
249.06036	20.1
257.22632	15.2
267.21030	4.4
269.24799	10.2
271.24371	3.4
285.22156	11.7
303.23203	64.6
313.27393	8.3
316.09106	2.9
371.22806	11.6
507.02856	2.5
551.41602	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.3
57.07087	2.1
59.05001	11.2
59.64065	1.4
66.30878	1.3
67.05508	2.8
68.80933	1.4
69.03402	1.5
69.07058	1.3
71.08652	1.7
71.51490	1.8
79.05483	1.9
81.07066	2.9
86.09713	4.3
89.06046	5.4
91.05508	2.6
92.15110	1.4
93.07062	1.6
95.08626	3.5
98.98495	1.5
99.69885	1.7
101.06029	2.7
105.07038	2.8
107.08585	2.1
109.10175	2.6
117.09102	1.5
119.08577	2.0
121.10201	1.4
124.99984	2.4
131.08568	1.6
133.08644	3.5
184.07365	10.3
216.07678	1.4
326.07550	1.5
387.45575	1.5
403.75394	1.6
469.20871	3.2
553.22638	1.5
569.26001	2.3
601.27478	2.1
657.27875	3.1
683.25214	3.5
697.26825	3.8
698.26898	1.9
715.27899	14.5
716.28564	2.0
747.30627	100.0
748.30957	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	746.5625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02522	0.5
55.05518	2.4
57.07080	32.1
58.07379	0.5
59.04997	1.7
60.08162	1.8
63.50780	0.4
67.05513	1.0
69.03449	0.5
69.07076	4.8
71.07371	0.7
71.08637	28.1
73.02915	1.7
73.06180	0.7
73.06566	10.0
77.76159	0.5
79.05476	1.0
81.07070	1.1
83.08634	3.6
85.10188	16.3
86.09714	7.2
87.04477	12.0
89.06038	100.0
90.06346	0.6
91.05489	0.9
91.07598	0.9
93.07048	0.7
95.08579	1.3
97.10163	3.2
98.20669	0.7
98.98482	1.1
99.11739	2.7
104.10728	0.5
107.07102	1.4
107.08615	0.7
109.10175	1.0
111.11724	3.0
113.13303	1.8
114.60889	0.5
115.07561	0.5
117.09148	7.6
123.11758	0.7
125.00020	4.9
125.13280	1.5
127.14848	1.0
130.08655	2.1
131.07050	3.8
132.72784	0.5
133.08614	52.0
135.10223	1.2
141.16432	0.7
161.11786	1.7
162.39799	0.5
175.09666	1.7
177.09669	0.9
177.11240	19.9
183.21127	2.6
184.07353	26.2
219.12321	0.5
221.13878	4.5
223.15215	0.6
227.23712	2.6
265.16443	0.8
268.49783	0.6
271.26358	5.9
283.17786	1.2
309.19220	0.8
315.28864	3.6
547.33289	1.1
729.53876	2.2
746.57080	1.1
747.43195	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	746.469
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42366	1.6
53.03938	7.0
55.01871	2.2
55.05509	17.4
57.03435	3.0
57.07079	2.9
59.04993	4.6
61.02932	4.4
65.03934	3.8
67.05510	42.4
69.03439	15.1
69.07080	21.3
69.43379	2.5
69.43787	11.4
71.08638	26.7
73.02901	2.1
74.91150	1.6
79.05071	2.6
79.05499	33.6
81.03425	21.6
81.07064	100.0
83.04990	4.4
83.08625	7.3
85.02437	3.3
85.02912	39.3
85.25529	1.7
86.09702	5.1
89.06026	2.4
91.04973	1.1
91.05486	31.0
93.07053	67.2
95.04969	6.1
95.08617	77.5
95.95367	2.0
97.02895	23.2
97.06554	3.1
97.10186	4.4
98.40300	1.7
99.04454	5.8
99.08109	31.8
102.75990	1.9
105.04539	2.0
105.07043	57.7
107.08604	70.1
109.02895	15.0
109.06551	2.0
109.10167	66.4
111.11703	2.6
115.05479	1.9
117.07033	7.7
117.09148	7.2
119.08591	61.2
121.10152	53.4
123.11719	23.9
125.00042	3.7
127.03933	27.0
129.07034	2.7
130.42926	1.6
131.08562	13.7
133.10139	28.7
135.11693	24.6
137.13269	2.8
143.08557	4.3
144.09338	3.1
145.04970	13.4
145.10127	21.4
147.11700	28.2
149.13263	30.7
151.11200	2.2
157.10120	2.0
159.10445	3.0
159.11693	28.6
161.13271	30.0
163.14832	24.5
165.12842	1.8
171.11702	3.2
173.13242	12.7
175.14821	17.5
177.16441	12.2
184.07394	13.5
187.14905	10.1
189.16458	10.7
191.18057	3.1
201.16393	15.4
203.17967	7.8
213.16345	2.5
215.17992	29.8
225.11182	5.0
229.19530	2.2
231.21111	4.4
233.19102	1.9
243.12337	41.3
261.13339	71.0
267.15860	2.5
271.24252	36.8
279.13571	1.7
289.25363	2.5
299.14905	2.5
303.68604	1.7
307.22687	5.7
327.29962	2.2
706.37982	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	746.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.4
55.05516	19.7
57.03444	18.5
57.04826	2.1
57.07087	3.3
60.08145	2.5
65.03942	5.0
67.05183	3.9
67.05511	59.2
69.03447	2.9
69.07066	12.3
70.35601	2.1
71.04992	4.7
72.39951	2.1
79.05499	61.6
81.03423	79.6
81.06592	3.5
81.07060	53.6
83.04972	6.2
83.08632	22.6
85.06572	3.9
86.09718	6.2
91.05486	39.8
93.07049	61.4
95.04971	27.3
95.08607	30.9
97.02892	4.4
97.06567	4.3
97.10185	5.0
99.08083	4.1
105.07052	28.2
107.04964	8.7
107.08622	30.8
108.77608	2.2
109.06524	4.5
109.10174	16.1
111.08110	3.4
117.07008	10.5
119.08591	23.9
121.06507	3.0
121.10136	30.0
121.10935	2.6
123.11726	8.9
125.00003	4.0
125.09623	5.8
129.06969	13.0
131.08568	23.8
133.06517	3.2
133.10135	20.5
135.11708	21.8
143.08664	2.7
145.10136	10.3
147.08116	3.2
147.11711	16.9
149.09590	6.5
149.13248	12.3
151.11115	2.6
157.10165	13.6
159.11702	13.1
171.11691	2.6
173.13277	8.3
175.11238	10.1
175.14839	2.3
179.10628	2.2
179.86577	2.1
184.07347	24.0
187.14845	3.5
189.11317	3.7
193.12267	21.8
211.12978	2.7
215.17979	28.0
222.22430	2.6
227.12900	4.4
229.61903	3.0
233.19011	26.4
248.83586	2.5
267.15945	100.0
268.16205	2.5
273.22125	5.0
307.22693	94.6
308.23071	2.9
367.32932	2.2
407.29431	5.6
425.30414	6.3
443.31750	3.8
491.85226	2.5
499.34299	57.8
517.35352	34.8
744.57092	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.5
55.01867	1.3
55.05515	4.4
56.05013	1.0
57.03448	6.5
57.07072	1.3
58.06620	0.6
59.04988	1.4
60.08166	6.7
61.50132	0.6
65.03925	1.1
67.05507	19.5
69.03416	1.8
69.07071	6.6
69.84045	2.4
70.06597	1.1
71.04985	2.0
71.07384	3.6
73.24596	0.6
74.91356	0.5
79.05072	1.0
79.05498	12.8
81.03423	45.7
81.07062	19.1
82.03771	0.7
82.22939	0.7
83.04984	2.1
83.08604	2.6
85.02919	0.8
86.09709	31.7
87.04451	1.6
89.06028	1.2
91.05486	14.5
93.06483	1.2
93.07046	16.3
95.04990	3.7
95.08608	14.7
97.02894	0.8
97.06527	1.6
97.10180	0.7
98.98493	3.9
101.45741	0.5
104.07115	1.7
104.10741	2.6
105.07024	5.9
106.05016	0.7
107.04976	0.9
107.08597	8.3
109.06507	1.3
109.10175	7.7
111.08043	0.6
111.17645	0.6
114.37781	0.5
117.07022	2.2
119.08588	13.4
121.06507	3.6
121.10150	5.6
123.08073	1.9
123.11691	2.2
125.00014	21.9
129.06975	1.8
131.08543	4.5
133.10182	3.2
135.08060	1.7
135.11679	4.5
137.09616	7.6
143.07028	1.1
143.08586	1.0
144.90469	0.6
145.04984	0.8
145.06577	0.7
145.10120	3.5
147.08057	3.3
147.11696	3.2
149.09625	1.2
149.13284	2.0
157.10138	1.3
159.11684	2.2
161.13240	2.3
163.14748	0.8
165.09122	8.7
167.10638	0.8
169.10100	0.8
171.11708	0.9
172.36577	0.5
173.13255	1.8
175.14812	1.2
184.07352	100.0
185.07716	1.2
185.13213	0.6
187.14854	1.4
199.09689	1.2
205.12300	0.8
211.14882	0.7
211.24593	0.6
213.16214	0.8
219.13820	0.8
227.20016	3.9
239.12794	30.0
243.21066	1.3
259.20377	0.6
261.22229	4.5
261.89502	0.5
271.15497	1.3
301.25281	0.9
317.24847	1.3
333.24228	1.0
335.25833	21.6
336.25803	0.9
389.28387	1.5
397.31302	0.8
401.26834	1.4
407.29251	3.3
425.30530	2.6
443.31348	0.8
481.33197	1.7
494.82495	0.6
499.34174	17.7
499.62793	0.6
500.34399	1.1
517.35394	10.5
531.37347	1.3
549.38208	1.0
579.01709	0.6
746.45251	3.4
760.50568	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
55.01863	2.6
55.05266	1.1
55.05510	11.1
57.03438	9.2
57.07068	1.6
59.04989	0.9
60.08155	2.8
63.59917	0.8
65.03933	2.1
67.05505	45.5
69.03411	2.3
69.07072	9.1
70.06593	0.9
71.04991	4.7
71.07336	1.3
73.06525	0.8
77.03922	1.1
79.05493	35.7
81.03405	3.0
81.07056	39.8
83.04977	3.5
83.08606	4.7
85.02908	4.1
85.06541	4.4
86.09709	17.3
91.03953	1.4
91.04901	1.7
91.05483	36.4
93.07048	37.1
95.04980	7.3
95.08609	23.7
97.02896	2.0
97.06532	3.2
97.10161	1.4
98.98461	1.8
99.04418	1.2
99.08078	3.3
102.03228	0.9
103.03908	1.8
104.10715	0.9
105.04571	1.0
105.07037	28.3
107.04945	1.3
107.08591	23.0
109.06517	3.0
109.10157	32.0
111.08102	1.2
113.06036	1.8
117.06998	7.2
119.08582	12.9
121.10143	17.9
123.08003	1.6
123.11710	7.2
125.00018	10.9
128.06207	1.9
129.07007	1.7
131.08571	9.9
133.10130	59.2
134.10440	1.5
135.08034	1.6
135.11684	12.2
137.09607	2.8
143.08560	4.5
145.10123	5.8
147.11707	4.3
149.09570	1.8
149.13249	5.8
151.11186	25.1
159.11653	4.3
161.09615	13.0
161.13284	1.7
163.11159	0.9
169.12251	4.8
173.13260	3.1
179.10678	11.2
184.07339	57.1
185.07726	1.5
193.12201	1.0
194.06732	0.8
197.11763	2.8
205.19554	1.8
215.12827	15.7
215.17934	14.9
233.19006	20.1
235.13306	0.9
249.14532	0.8
253.14354	15.2
261.13303	0.8
271.11743	2.3
271.15390	5.3
289.21548	1.9
299.14856	3.4
307.22678	100.0
308.22980	3.0
317.15955	63.7
318.16196	1.0
319.15631	1.3
335.22107	1.4
335.25824	1.8
414.63965	0.9
428.21115	0.9
485.32999	1.0
503.33356	3.1
517.35132	1.1
531.33197	1.6
549.34222	36.7
550.34155	1.3
567.34674	1.1
746.42493	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	745.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.8
55.01862	3.9
55.05514	25.1
57.03443	6.5
57.07062	8.4
59.04994	8.4
61.02929	17.3
65.03940	5.1
67.05179	4.7
67.05510	50.5
69.03418	10.0
69.07072	20.8
70.90662	5.3
71.04999	5.8
71.08642	5.2
73.02930	5.8
73.06575	2.8
79.05504	40.2
81.03413	10.5
81.07066	62.6
83.04964	4.1
83.08614	9.1
85.02930	13.1
85.06503	3.8
85.32296	2.9
87.04458	2.9
89.06029	5.7
91.03959	8.2
91.05489	47.8
91.44323	2.6
93.07052	45.0
95.04977	8.5
95.08611	43.8
97.02881	8.5
97.06548	4.3
97.10151	5.0
98.31796	2.9
99.08086	3.5
103.03975	5.6
103.05491	2.8
105.04523	3.0
105.07034	48.7
107.08585	26.6
107.94311	2.8
109.06505	3.3
109.10188	18.5
109.70343	2.6
115.05444	3.8
117.07011	14.8
119.08587	36.0
121.10144	21.3
123.11710	3.4
125.00004	4.5
128.06233	5.4
129.05524	3.3
129.07040	20.1
131.08592	25.8
133.08630	3.0
133.10136	41.3
135.08005	3.0
135.11720	17.9
141.07018	7.6
142.07793	3.2
143.08600	19.9
145.10117	29.6
147.11697	35.0
149.09631	5.1
149.13274	6.9
155.08543	6.2
156.09297	3.9
157.10161	20.8
159.11699	16.9
161.13272	7.3
163.11229	3.3
167.08542	2.9
169.10135	10.5
171.11690	26.0
173.13226	7.8
183.11696	9.4
184.07381	14.8
185.13284	11.5
187.14816	8.4
189.12811	3.4
189.16443	4.6
193.10091	3.1
195.11694	3.4
197.13319	5.2
199.14859	9.2
201.16411	4.5
203.17953	6.6
211.14897	3.5
213.16438	27.2
215.18077	4.8
223.14917	5.2
225.16309	3.0
227.17969	3.9
229.15884	4.1
231.17451	30.8
239.17921	4.5
241.19528	4.8
255.17484	3.2
273.18546	4.1
287.20074	3.1
305.21216	9.6
333.24622	3.2
335.25922	26.1
339.19635	3.2
491.31836	2.9
491.39001	8.0
565.42682	6.1
573.47949	3.6
583.43640	100.0
584.44177	5.8
709.45697	4.2
727.47675	5.5
745.47827	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	745.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.9
55.01870	4.6
55.05514	27.0
57.03446	14.6
57.07066	5.4
59.05011	3.1
61.02925	14.8
65.03937	5.8
67.05510	73.3
69.03413	7.7
69.06802	2.1
69.07081	21.1
71.04992	5.7
73.02911	8.0
74.80384	2.2
78.61994	2.7
79.05500	100.0
81.03430	4.5
81.06593	4.2
81.07059	79.0
83.04982	4.5
83.08637	13.8
85.02901	11.2
85.06527	5.0
91.03949	3.9
91.05483	76.3
93.07048	91.6
93.07644	4.5
95.04962	10.3
95.08613	53.0
97.00295	2.0
97.02891	9.0
97.06552	4.3
98.20825	6.6
99.08056	4.0
103.04018	2.2
105.04501	3.7
105.07040	64.3
106.76690	2.3
107.08601	43.5
109.06523	5.4
109.10162	24.1
110.37852	2.2
111.08086	5.6
117.07027	26.3
119.08585	52.6
121.09331	4.1
121.10146	51.5
123.08038	4.1
123.11707	5.7
125.09644	2.2
128.06169	4.2
129.06992	18.0
131.08562	36.8
133.10143	52.7
135.08032	3.2
135.11691	28.9
141.06992	6.4
142.07748	3.1
143.08580	18.0
144.09351	3.0
145.10123	36.3
147.08023	2.9
147.11699	36.9
149.09567	4.6
149.13266	9.8
151.11124	2.9
155.08530	6.6
157.10115	19.9
158.38762	2.3
159.11690	27.1
161.09630	2.4
161.13251	26.1
163.11165	6.8
163.14813	2.3
167.08643	2.7
169.10124	10.5
171.11711	18.0
172.23720	2.4
173.13272	22.0
175.14854	11.1
178.10175	2.2
181.10054	4.5
183.11676	9.4
185.13313	15.0
187.14804	10.2
189.12733	3.0
189.16357	3.2
195.11693	5.7
197.13303	7.8
199.11162	3.2
199.14818	9.4
201.16464	4.3
203.17847	2.3
207.11684	3.3
209.13377	2.7
211.14883	4.0
213.16425	10.9
215.17899	7.7
217.19559	2.9
225.16394	3.2
227.17973	2.8
231.17412	5.2
231.21078	4.1
241.19510	15.3
243.20874	2.6
257.18954	5.8
259.20581	34.5
275.19998	2.9
301.21631	3.1
305.21384	3.2
307.22693	68.8
309.24481	4.3
315.23080	3.7
330.26981	2.5
333.24225	24.4
335.25687	6.4
367.22510	3.5
447.30798	2.5
491.39001	5.2
565.42419	9.4
581.41516	3.5
583.43597	76.3
584.43787	5.5
673.44598	5.0
709.45978	6.6
727.47046	4.6
745.48175	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	745.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62780	2.3
53.03947	7.3
55.05513	19.4
57.03431	8.0
57.07066	5.4
59.05011	13.0
61.02932	16.2
62.94188	2.3
65.36895	2.9
65.52263	2.8
67.05183	3.3
67.05515	41.5
69.03444	7.7
69.07067	16.5
71.05003	3.2
71.51095	3.5
73.02915	8.4
79.05503	31.6
81.03420	7.2
81.07063	44.5
83.04954	3.7
83.08627	7.5
85.02912	13.8
87.04459	3.0
89.06048	4.1
91.03958	8.3
91.05491	41.3
93.07059	38.8
95.04979	4.9
95.08625	31.6
97.02896	13.7
97.06536	3.6
99.08104	3.6
101.02443	3.3
103.03954	3.3
103.05464	3.2
105.07044	40.0
105.45037	3.2
107.08591	18.3
109.10176	14.3
113.49990	2.7
115.89282	2.4
117.07027	11.5
117.09113	3.5
119.08600	37.6
121.10146	19.2
123.11731	4.6
128.06245	5.5
129.07014	11.4
131.08594	25.8
133.10143	39.4
135.08060	3.6
135.11699	12.8
141.07024	6.0
143.08582	18.2
145.10141	25.5
147.11711	21.7
149.13214	3.0
155.08566	6.5
156.78706	2.5
157.10170	15.7
159.11725	18.7
161.09590	3.0
161.13289	9.9
168.18434	3.4
169.10156	9.9
171.11697	15.6
173.13290	13.0
175.14839	5.0
183.11710	9.9
184.07327	5.1
185.13293	11.5
187.14882	7.0
188.65996	2.5
195.11661	5.1
197.13310	6.8
199.14815	3.8
201.16367	4.5
203.17915	5.2
209.13240	3.6
213.16406	17.0
215.17957	3.5
227.18071	3.7
229.15851	4.2
231.17430	20.9
259.20663	3.1
289.57822	3.3
297.22357	3.4
305.21121	5.0
307.22748	5.3
309.21762	3.4
335.25845	17.5
491.38580	5.8
513.35956	3.2
565.42426	6.2
583.43610	100.0
584.43213	3.7
673.44604	2.8
679.30145	2.9
727.47357	5.4
745.48871	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	745.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.4
55.01870	4.6
55.05513	36.0
57.03442	16.2
57.07074	7.2
59.05006	3.5
61.02918	12.0
65.03934	3.9
67.05506	83.3
69.03431	14.3
69.07065	22.7
71.04987	4.6
73.02913	6.4
77.03905	2.8
77.42136	2.6
79.05497	93.4
81.03410	7.4
81.06593	4.4
81.07062	76.6
83.04980	6.1
83.08636	14.0
84.98105	2.5
85.02913	13.5
85.06514	6.1
91.03953	7.9
91.05486	74.7
93.07045	100.0
95.04955	9.5
95.08611	53.3
97.02898	8.5
97.06532	8.2
97.10171	6.5
98.20718	5.5
99.08064	4.5
105.04533	3.4
105.07035	67.8
107.04937	4.4
107.08591	41.8
109.06526	5.0
109.10154	24.9
111.08087	5.3
117.07029	21.4
119.08575	59.9
121.10157	48.4
123.11716	8.4
125.09667	2.8
127.07532	3.0
128.06259	4.2
129.05482	3.5
129.06973	14.4
130.07802	3.5
131.08575	39.0
133.10129	46.1
135.11705	32.9
137.09595	2.9
137.13297	3.6
141.06938	4.5
142.07814	5.4
143.08568	19.3
145.10147	41.7
147.11700	37.2
149.09587	4.9
149.13254	14.9
155.08556	3.4
156.09326	3.5
157.10147	15.8
159.11693	28.5
161.09631	3.6
161.13261	28.6
163.14880	5.4
169.10155	10.3
171.11646	20.2
173.13237	22.2
175.14845	11.6
181.10048	4.9
183.11679	10.6
184.07336	2.9
185.13249	15.5
187.14877	8.0
189.12733	3.5
189.16396	5.6
191.14293	3.8
195.11714	5.5
197.13258	5.7
199.14847	14.3
201.16415	4.9
209.13283	4.6
211.14717	3.2
213.16382	11.6
215.14604	3.6
215.17981	15.0
217.19524	3.2
223.14780	3.7
229.78943	3.8
231.17473	12.7
231.21069	3.3
239.17798	2.7
241.19495	24.7
243.20923	4.1
257.19061	7.4
259.16653	3.3
259.20578	39.6
271.20581	3.4
297.22073	3.3
301.21649	2.7
305.21323	5.3
307.22684	72.9
309.24509	3.3
323.22482	2.9
325.21918	3.6
333.24380	27.3
335.25839	11.4
351.25363	2.8
367.22754	3.6
385.23560	3.4
388.35727	3.4
491.38580	3.4
565.42505	9.7
581.41309	3.2
583.43591	98.9
584.44055	5.0
673.44507	4.3
727.46930	6.4
745.48578	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	745.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01867	0.6
55.05509	1.8
55.05727	0.3
57.03436	2.1
59.05002	0.8
61.02931	5.2
65.03960	0.6
65.78596	0.3
67.05511	6.3
69.03440	3.3
69.07076	1.6
69.28764	2.2
70.81313	0.3
71.05009	0.7
73.02921	5.0
79.05498	5.1
81.03436	2.0
81.07066	6.7
83.04988	0.7
83.08627	1.0
85.02910	6.4
86.09718	0.8
87.04433	0.4
91.03954	3.4
91.05479	2.7
93.07045	6.1
94.74943	0.4
95.04991	0.6
95.08619	5.5
97.02905	5.1
97.06554	0.7
98.20779	0.5
99.04469	1.0
101.02385	1.7
105.07026	2.0
105.12416	0.3
107.08616	3.2
109.02887	0.9
109.06559	0.5
109.10157	2.4
115.03941	0.5
117.07054	1.2
119.08591	2.4
120.93262	0.3
121.10159	2.9
123.11732	0.8
125.00039	0.8
127.03934	1.8
131.08615	1.2
133.10181	1.2
135.11702	3.6
137.05908	0.3
145.10172	1.4
147.11728	0.7
149.13376	0.4
157.10144	0.5
159.11729	0.9
163.11205	2.2
171.08170	0.4
171.11774	0.5
173.13289	0.7
179.53976	0.3
184.07346	2.9
185.04230	0.7
185.07716	0.5
187.14757	0.4
200.33783	0.4
200.76010	0.4
203.05331	0.4
219.10033	0.4
227.12860	1.6
243.08392	2.4
249.11006	11.6
280.09723	0.4
305.13635	1.3
335.26004	0.8
467.18942	5.6
516.80292	0.4
519.29279	9.7
583.35992	0.5
583.44354	0.8
745.41345	100.0
746.41760	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	744.5473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.3
57.07081	30.6
59.05005	8.9
63.29109	0.4
63.35836	0.5
65.02474	0.4
65.13300	0.5
66.64965	0.4
67.05511	1.0
69.03430	0.7
69.07066	3.3
71.08640	27.8
71.28133	0.9
73.02921	1.5
73.06561	8.6
75.08977	0.4
79.05505	0.8
81.07069	1.4
83.08634	5.7
85.10191	17.4
86.09712	0.5
87.03933	0.8
87.04478	18.2
89.06041	46.8
90.06341	0.4
91.05475	0.5
91.07618	0.7
93.07031	0.5
95.08656	0.5
97.10173	6.1
99.11742	2.5
103.03954	100.0
103.07593	6.5
104.04247	0.8
107.07061	1.5
107.08546	0.5
111.11728	3.8
113.13297	1.2
117.09142	8.5
119.07069	1.6
121.05014	0.6
121.08634	1.9
125.13300	2.3
127.14857	1.5
130.08647	0.7
131.07072	3.9
133.08623	18.6
133.09645	1.0
135.10139	0.6
139.14865	0.9
141.16368	1.2
147.06538	11.1
147.10172	3.1
161.11751	2.4
162.60358	0.5
163.09636	2.2
169.19510	0.8
175.09718	2.1
177.11244	8.4
184.07396	1.5
191.09189	5.8
207.12328	3.9
211.24287	1.7
219.12445	0.8
221.13860	2.4
235.11786	5.9
239.14891	0.5
250.12477	0.6
251.14813	0.7
255.26848	2.3
279.14532	1.6
283.17673	0.7
287.20932	0.6
295.17477	0.5
299.29446	6.4
323.17072	0.8
343.32190	3.8
366.01306	0.5
367.19724	0.8
517.28540	1.0
572.47510	1.0
583.25323	0.5
727.51245	1.0
744.54541	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	744.541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02479	0.2
54.68782	0.2
55.34579	0.2
55.35758	0.2
57.06791	0.3
57.07079	4.3
58.06591	0.3
60.08815	0.2
62.06068	0.3
62.51506	0.2
68.05039	0.2
69.60151	1.4
70.06598	6.1
71.08652	1.4
72.81032	0.3
85.10169	0.4
88.07637	9.7
91.34045	0.2
102.09181	2.6
103.94260	0.2
106.08678	5.0
177.48817	0.2
189.46358	0.3
212.23897	0.4
230.24844	0.5
232.76176	0.2
251.08803	0.3
256.26364	4.7
257.07159	0.2
274.27417	100.0
275.27701	2.1
363.21262	0.2
441.95425	0.3
534.99725	0.3
561.83490	0.2
617.54510	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.3
55.01866	3.0
55.05498	9.8
57.01632	2.0
57.03444	11.4
57.07055	2.4
59.04989	4.4
61.02909	3.3
67.05521	14.2
69.03416	7.7
69.07080	13.8
70.06586	8.7
70.37966	2.6
71.05001	63.8
71.31028	5.4
71.47266	2.2
73.02916	6.4
75.04479	6.7
75.90605	2.3
79.05495	12.0
81.03407	5.0
81.07060	36.1
83.04977	18.7
83.08624	4.9
84.08141	2.9
85.02914	100.0
87.04459	5.9
90.03521	2.8
91.05467	12.2
92.30066	2.0
93.07043	23.9
95.04965	7.7
95.08624	32.6
97.02877	7.8
97.06502	3.3
98.97591	5.6
99.04454	5.6
99.88075	2.3
105.07034	27.6
107.08605	25.3
109.02910	4.1
109.06519	4.7
109.10173	27.9
111.04442	14.2
116.98582	3.4
117.07015	5.9
119.07942	2.3
119.08599	25.8
120.08112	2.2
121.10148	19.2
123.04474	2.4
123.08070	2.4
123.11691	10.8
125.05918	2.7
127.03894	5.3
128.45573	2.1
129.05481	23.7
129.07014	3.3
130.07732	2.8
131.08554	10.0
133.10143	14.6
135.08029	3.8
135.11687	12.9
137.06032	2.3
142.07738	4.1
143.08549	6.7
145.04852	3.2
145.10135	17.3
147.06506	9.0
147.11711	14.5
149.13235	11.7
155.08586	3.8
157.10112	6.7
158.99727	2.7
159.11664	16.3
161.09665	4.2
161.13287	13.2
163.11180	4.6
163.14804	6.0
169.10092	3.5
171.11707	7.9
173.13316	12.1
175.14807	7.8
177.12764	2.6
177.16417	3.4
183.11682	4.7
185.13191	5.0
187.14841	7.2
189.16408	3.6
195.11768	3.3
197.13304	4.0
199.14876	2.7
201.16429	6.7
211.14821	4.8
213.07425	2.8
213.16418	6.8
215.17989	9.1
225.16515	2.8
227.17998	3.8
229.19460	3.1
239.09244	3.2
251.17908	2.7
257.22580	5.6
269.22644	5.7
271.24237	13.7
272.87582	2.2
289.25375	3.2
307.24121	3.2
313.24780	3.0
324.64478	2.6
326.15637	5.0
363.26849	4.5
381.27792	7.7
399.28799	8.3
417.30005	7.0
435.31073	3.0
581.13220	2.7
651.22797	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	743.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	4.4
54.60160	3.0
55.01856	2.6
55.05501	13.3
57.03446	14.2
59.05020	3.8
67.05503	19.4
68.05798	2.9
69.03439	8.3
69.07063	12.7
69.63681	6.0
69.64091	10.4
70.06599	14.6
71.05001	66.2
72.08162	3.8
73.02915	9.6
75.04481	5.1
79.05494	8.0
81.03423	6.6
81.07061	36.6
83.04972	19.9
83.08624	6.3
85.02912	100.0
86.45609	2.6
87.04488	6.2
91.05484	15.7
93.07051	26.1
95.04974	9.5
95.08614	24.8
97.02885	7.9
97.06525	4.1
98.21505	4.5
99.04438	5.5
101.06035	2.9
105.07056	26.3
107.08607	31.0
107.20910	2.8
109.02891	5.5
109.06504	5.9
109.10159	26.5
111.04448	14.9
113.06065	5.5
117.05507	3.3
117.06953	7.1
119.08591	30.2
121.10160	21.2
121.51619	2.5
123.08083	3.1
123.11704	11.1
127.03915	3.9
129.05510	28.5
129.07007	4.7
131.08595	12.0
133.10178	14.0
135.11710	10.4
142.07814	3.5
143.08606	7.2
145.05049	2.9
145.10153	20.8
147.06529	11.3
147.11668	14.7
149.13272	12.6
157.10117	9.5
159.11760	17.8
161.13286	11.0
163.14856	7.0
169.10138	3.3
170.32893	3.3
171.11684	5.9
173.13300	11.7
174.00137	3.1
175.14835	8.1
177.16411	3.2
181.10095	3.0
183.11697	4.5
184.07431	2.6
185.13235	3.6
187.14804	5.2
189.16380	6.3
197.13344	4.4
199.14899	6.5
201.12877	3.3
201.16492	7.7
211.14862	4.3
213.16357	7.4
215.18016	6.7
225.16304	3.6
227.18008	3.1
229.15645	3.5
230.73772	3.2
239.09236	5.4
257.13220	3.3
257.22546	3.9
269.22656	7.2
271.24280	15.7
277.19321	3.1
283.24191	3.7
309.20483	3.2
325.24991	4.0
343.22415	3.0
363.27097	3.0
399.29108	7.1
417.30023	11.9
480.75632	3.3
651.22791	8.7
743.33795	3.3
752.05865	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	743.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.6
55.05512	10.0
56.55778	2.7
57.03432	12.5
57.07076	3.2
57.10743	2.8
65.03928	3.6
67.05508	12.2
69.03428	8.6
69.07083	5.5
69.21488	23.4
70.06591	9.2
71.04996	54.3
73.02925	8.8
75.04482	5.7
79.05486	10.0
81.03426	4.0
81.07063	33.9
83.04980	23.7
83.08587	5.1
85.02911	100.0
87.04441	4.7
87.42946	2.7
91.05476	10.6
93.07040	25.1
95.04971	7.6
95.08609	24.6
97.02898	6.7
97.06549	2.8
97.10222	3.0
98.21514	7.0
99.04428	3.6
105.07053	18.3
105.60386	2.7
107.08609	28.8
109.06488	4.2
109.10150	19.7
111.04432	18.6
113.06020	3.5
119.08595	23.5
119.17904	2.7
121.06498	3.6
121.10169	14.0
123.08133	3.4
123.11708	8.3
127.03915	2.8
129.04680	3.5
129.05479	22.8
129.06961	2.9
131.08530	13.9
133.10162	14.3
135.11708	10.5
135.26212	2.8
143.08569	6.9
145.10101	12.6
145.50142	2.8
147.06509	9.4
147.11682	13.1
149.13280	8.4
155.08681	3.1
157.10112	10.4
159.11685	13.7
161.09671	3.2
161.13258	10.2
163.14835	6.6
171.11667	9.3
173.13264	7.8
175.14870	7.1
177.16440	5.5
183.11700	6.0
185.13350	4.1
187.14859	6.0
189.16396	6.0
197.13239	4.7
199.14870	5.8
201.16312	7.2
203.17868	3.4
211.14825	4.4
213.16440	5.9
215.17963	7.2
221.13344	2.9
257.22723	4.6
269.22614	6.1
271.24280	9.6
281.22580	2.8
283.24393	3.8
292.13721	4.4
355.25922	3.2
381.28116	3.4
399.29105	7.2
417.29990	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	742.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.2
55.01888	2.7
55.05506	18.1
56.05031	6.5
57.03439	13.6
59.04987	4.2
60.04521	1.5
61.02929	10.4
65.03944	2.6
67.05506	55.7
68.05016	4.5
69.03425	7.8
69.07069	18.3
70.02937	4.1
70.06589	13.6
71.04986	3.5
71.51154	2.3
72.04515	8.7
73.02905	5.0
79.05497	48.0
80.05020	8.4
81.03423	60.6
81.07059	58.8
82.06563	2.4
83.04976	6.8
83.08624	14.7
84.04493	2.9
85.02896	10.0
85.06522	2.5
86.09706	4.8
91.03954	6.4
91.05483	36.2
93.06490	2.5
93.07047	47.7
94.06556	1.9
95.04972	22.5
95.08610	44.5
96.04479	5.6
96.08109	2.2
97.02888	11.6
97.06528	4.4
97.10152	3.8
98.06068	3.8
99.08086	2.6
105.07032	21.6
107.04950	3.9
107.08598	22.0
108.08134	2.1
108.08909	1.4
109.06532	3.7
109.10164	14.9
111.04411	2.1
111.08069	6.3
117.07013	6.4
118.07149	1.4
119.07807	2.1
119.08582	20.7
120.08118	1.7
121.06513	3.6
121.10152	23.1
123.08062	1.9
123.11721	4.9
124.99989	3.3
125.09614	2.8
126.12929	1.6
127.03944	3.2
129.07022	7.8
131.08563	18.4
133.06549	1.9
133.10147	13.4
135.11708	11.2
137.05898	2.0
137.09572	2.9
137.13293	2.3
138.12798	6.3
142.07767	1.7
144.06563	2.0
145.04959	2.4
145.10133	6.8
147.11667	11.6
148.11220	5.7
149.09654	8.5
149.13264	7.2
157.10118	8.3
159.11667	5.5
161.13185	3.0
162.07591	1.4
163.14809	1.7
164.14349	2.5
166.12276	13.0
167.10722	1.8
173.13211	3.5
175.11159	7.0
180.08752	2.0
182.15417	29.4
184.07382	8.1
184.13336	11.9
187.14876	2.1
192.13826	4.8
193.10599	2.0
193.12245	20.2
193.57233	1.4
209.78027	2.1
210.14905	56.7
211.13258	2.2
227.12787	2.2
228.15967	2.4
233.22595	1.7
240.15904	3.0
243.21092	6.8
258.17050	6.4
261.22159	17.5
267.15930	98.1
268.16324	2.4
284.18719	9.0
301.25351	2.8
302.19595	8.6
317.24719	2.8
335.25806	100.0
336.25998	2.8
367.49002	1.8
435.32489	3.3
453.33578	4.9
488.59808	1.6
518.38440	6.2
527.37384	43.2
528.37781	2.6
536.39496	11.1
544.40240	8.8
545.38220	14.7
562.41064	55.9
563.40887	3.0
570.37073	1.7
580.41626	2.5
613.12848	1.7
695.13000	1.7
706.45319	4.2
724.46326	23.0
725.45721	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	742.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.0
53.19463	0.4
55.05521	2.6
57.03452	0.9
59.26487	0.4
61.02926	1.5
61.04685	0.4
65.03944	1.3
67.05513	7.5
67.05850	0.9
68.05038	1.3
69.03437	4.2
69.07067	2.9
70.06597	100.0
70.77522	0.9
70.77868	0.5
71.05001	0.5
71.06939	1.0
72.08174	0.7
79.05504	8.0
81.03428	2.8
81.07066	17.7
82.06601	1.6
83.04990	0.9
83.08618	1.1
83.22514	0.4
84.08113	0.7
85.02910	7.0
86.09727	1.0
86.13593	0.4
91.05486	9.1
93.07053	18.3
95.04997	1.7
95.08614	9.9
97.02910	3.5
97.10160	0.7
105.04569	1.0
105.07037	10.1
107.08603	19.4
109.02895	3.5
109.06573	0.6
109.10169	8.4
110.06049	4.1
112.07626	2.3
119.08590	8.9
119.09371	0.7
121.10145	6.3
123.11702	2.8
124.56496	0.4
127.03934	4.5
128.07106	6.2
130.08649	13.7
131.08577	1.1
133.10146	2.9
135.11702	4.9
136.30490	0.5
145.04968	1.2
145.10146	1.9
147.11693	4.8
149.13322	1.4
159.11662	2.2
161.13280	2.6
163.14870	1.4
172.09813	0.6
173.13324	1.1
175.14903	0.8
177.16464	0.9
187.06094	1.5
187.14900	0.8
189.16446	0.5
201.16403	0.8
203.18015	0.7
205.07130	0.8
215.18039	1.5
232.11948	1.4
238.10838	1.2
256.11795	3.2
271.24304	0.8
272.11337	0.6
274.12869	9.7
274.15698	0.6
290.12509	1.7
292.13919	43.8
293.14261	0.7
304.07150	0.5
346.00018	0.5
398.33167	0.4
454.19348	0.5
494.31473	1.8
501.01855	0.4
562.37439	32.8
563.37939	1.6
564.38458	0.5
580.38361	4.1
742.43817	20.6
743.43958	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	740.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
55.01878	4.0
55.05516	14.4
57.03445	9.5
57.07068	1.9
59.61992	1.2
61.02931	1.4
65.03931	3.0
67.05508	45.3
68.84722	1.1
69.03420	1.8
69.07071	14.9
69.32941	10.0
69.59566	1.1
69.88574	1.3
71.05009	3.1
73.02913	1.2
79.05495	38.0
81.03424	2.2
81.07063	44.3
81.07537	2.6
83.04976	2.9
83.08623	11.9
85.06561	1.3
91.05482	20.3
93.07048	53.2
95.04992	5.8
95.08613	55.8
97.02892	3.7
97.06530	4.8
99.04485	3.8
105.07036	12.4
107.04948	9.3
107.08601	34.4
109.06506	2.6
109.10165	10.0
111.08139	1.1
117.07011	9.6
118.08690	1.6
119.08587	14.4
121.06508	5.4
121.10148	20.5
123.11700	2.7
125.06040	2.1
130.07813	2.9
131.08574	2.9
133.10139	6.2
135.08055	2.8
135.11700	51.2
145.10132	30.2
147.11755	2.0
149.13246	2.8
153.12741	1.2
158.03206	1.3
159.11705	2.9
161.13289	2.3
163.11182	57.0
163.72308	1.3
175.14920	1.3
181.12219	11.4
184.07309	2.2
209.11847	2.3
216.15138	1.4
227.12788	87.7
243.21068	3.1
261.22202	9.5
283.15408	100.0
284.15805	2.4
317.24814	2.4
335.25821	93.5
336.26157	3.0
543.36865	86.8
544.37134	5.0
599.50195	3.1
614.57263	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	740.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.2
55.01833	2.3
55.05512	13.6
57.03440	9.4
57.07042	1.6
61.02893	1.3
63.95266	0.5
65.03905	1.5
67.05508	40.4
67.05836	1.6
69.03390	1.9
69.07076	10.9
70.62965	0.8
70.63309	1.2
71.04950	2.3
73.02892	1.2
79.05499	34.8
81.03379	1.6
81.07059	41.3
83.04985	2.8
83.08624	8.5
85.02871	1.1
85.06505	1.2
86.09671	2.3
91.05484	17.5
93.07048	42.6
95.04978	5.5
95.08611	46.9
97.02868	3.4
97.06548	3.4
97.10139	1.6
99.04459	3.2
103.05443	0.8
104.58145	0.5
105.04498	1.3
105.07040	11.1
107.04976	4.9
107.08601	31.5
109.06481	2.3
109.09472	0.7
109.10150	9.2
111.04402	1.8
111.08053	1.6
113.05951	0.5
115.05416	1.0
117.06265	0.6
117.07030	8.4
119.07835	0.8
119.08585	11.4
121.06498	3.5
121.10152	18.1
123.08028	0.8
123.11695	3.2
124.99953	1.0
125.05955	2.2
127.07475	0.6
130.07762	1.5
131.08574	5.0
133.10147	5.9
133.47009	0.5
135.08005	1.9
135.11699	40.1
136.11971	0.9
137.13245	0.9
139.07475	1.7
139.11188	0.6
143.08571	1.1
144.85182	0.5
145.10126	24.3
147.11618	2.3
149.09634	0.5
149.13228	2.9
159.11627	1.9
161.13197	1.7
163.11186	41.6
163.14799	1.4
164.11525	0.8
173.09625	0.6
173.13251	1.8
177.16354	0.6
181.12245	7.0
184.07349	7.1
187.14761	0.7
209.11703	1.9
222.70377	0.5
227.12791	52.9
228.13066	0.7
234.03001	0.6
243.21083	1.9
261.22156	7.5
283.15414	46.6
284.15475	0.8
317.24756	1.6
335.25812	100.0
336.26346	3.2
345.39215	0.5
543.36847	69.9
544.37238	3.7
599.50098	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.5506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.7
53.30022	2.0
55.01883	2.5
55.05510	14.7
57.07075	4.1
58.20670	1.9
63.84758	1.7
65.10768	1.9
66.17780	2.0
67.05511	24.2
68.15689	1.9
69.03439	10.0
69.07076	16.8
73.02921	2.0
79.05501	23.8
81.03432	4.6
81.07063	61.4
83.05000	2.4
83.08626	6.7
85.02916	14.0
87.04460	2.3
91.05494	20.1
93.07056	49.1
93.07644	3.4
95.05010	2.9
95.08617	62.0
97.02892	3.5
97.10174	3.4
98.20789	4.7
105.07050	32.6
106.18700	2.0
107.08603	48.6
109.02854	1.9
109.06515	3.2
109.10166	45.0
117.07015	4.7
117.37260	2.3
119.08589	36.7
121.10150	33.9
123.11731	17.8
127.03907	5.1
131.08614	10.5
133.10132	22.3
135.11702	23.9
137.13315	7.0
141.48132	2.1
142.07912	2.8
143.08606	3.8
145.10155	17.9
147.11708	20.5
149.13281	21.4
156.09470	2.5
157.10121	9.9
159.11703	19.3
161.13295	12.5
163.14890	10.3
171.11771	6.8
173.13266	13.9
175.14789	14.0
177.16458	6.8
183.11794	3.5
185.13284	6.4
187.14879	8.0
189.16437	5.4
191.17953	5.0
197.13417	3.1
199.14948	5.9
201.16426	7.2
203.05238	4.4
203.17972	9.1
209.13362	2.4
212.16101	1.9
213.16464	4.9
215.18018	9.3
217.19604	2.8
227.18016	4.0
229.19601	4.7
239.18059	2.7
241.19504	3.4
243.21075	3.4
271.24203	4.2
278.88474	2.1
283.24240	2.9
287.03882	4.1
289.05371	13.9
295.24451	2.1
297.25854	2.6
323.27280	2.5
351.30292	2.8
386.93863	2.8
473.28806	11.8
475.30457	8.2
491.29868	5.2
515.30090	11.7
517.31604	7.0
541.47723	6.7
559.28821	100.0
559.48071	12.8
560.29230	9.7
561.30719	9.6
577.29785	7.4
695.35992	17.9
739.35138	83.8
740.35675	9.2
764.68939	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	739.5507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.9
55.05508	19.8
55.39352	1.7
55.82893	2.0
56.76007	2.0
57.03434	3.6
57.07067	5.6
61.02914	5.1
65.03931	6.0
66.31704	1.8
67.05507	40.5
69.03425	14.5
69.07069	28.9
71.04991	3.3
77.03900	2.0
79.05494	29.6
81.03408	5.1
81.07061	100.0
83.04986	2.2
83.08629	14.1
83.09038	2.6
85.02909	28.5
85.06532	2.2
91.03931	2.6
91.05486	39.3
93.07049	77.2
93.07635	3.8
95.04949	7.0
95.08610	96.9
96.08892	2.3
97.02872	10.2
97.06549	2.0
97.10152	9.0
98.21589	3.4
99.04433	2.1
105.06319	2.7
105.07037	49.9
107.07879	4.4
107.08598	84.4
108.68610	1.9
109.02888	3.6
109.06514	2.8
109.10161	77.7
111.11714	4.6
117.07021	4.8
119.08581	58.0
121.10146	54.3
123.11696	26.3
125.09613	4.8
125.13257	2.8
127.03918	5.4
127.11263	2.1
129.06989	3.8
131.08560	18.7
133.10141	42.8
135.11703	36.6
137.13245	9.1
143.08521	10.6
144.09302	2.5
145.04962	3.9
145.10133	28.9
146.10670	1.8
147.11684	34.0
149.13257	35.4
151.11154	2.7
151.14850	2.0
155.08530	2.4
156.09396	2.1
157.10124	12.0
159.11697	31.8
161.13252	28.1
163.14835	16.3
169.10069	4.5
171.11696	14.3
173.13261	25.7
175.14848	18.0
177.16405	11.3
183.11729	4.5
185.13181	11.9
187.14836	16.7
189.16394	19.6
191.17946	6.1
197.13289	6.3
199.14839	9.8
201.16365	12.9
203.17976	17.2
209.13181	2.3
211.14854	6.3
213.16362	8.2
215.17926	9.1
217.19534	6.6
219.17290	2.1
223.14871	3.3
225.16508	3.2
227.17958	7.3
229.19527	7.7
239.17886	2.6
241.19508	4.6
243.21118	6.4
245.22736	2.4
253.19638	4.4
255.21011	3.1
257.22583	5.4
267.21091	3.0
269.22723	5.4
271.24234	6.4
281.22739	3.9
287.23654	2.3
295.24176	3.5
297.25845	3.5
325.28745	2.5
337.28809	3.7
393.35275	2.6
399.05899	2.4
444.27884	2.3
477.41025	3.2
541.48108	13.0
559.48865	26.0
577.49493	5.5
721.53497	3.6
739.55078	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	738.5069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.01880	0.8
55.05278	0.7
55.05515	9.5
57.03428	1.3
57.07067	1.4
59.04994	2.0
61.04858	0.5
65.03944	2.8
67.05508	36.7
69.06733	0.8
69.07075	9.5
69.68980	1.4
69.69386	2.2
71.04981	0.7
71.08614	0.9
76.47862	0.5
79.04781	0.7
79.05495	21.1
81.07064	32.3
83.05006	0.9
83.08616	4.8
85.06530	1.1
85.81321	0.6
91.05489	11.9
93.07048	22.6
93.96073	0.5
95.04961	1.6
95.08614	27.0
97.06550	1.3
97.10173	2.6
98.06071	2.3
98.98474	1.2
99.08066	0.7
105.07043	6.1
107.08605	8.7
109.06522	0.8
109.10163	8.5
111.08088	0.8
115.05533	0.8
117.07028	1.7
119.08593	5.0
121.10153	8.2
123.11722	2.5
131.08577	2.2
133.10146	3.9
133.43948	0.5
135.11732	3.9
137.13283	1.2
145.10141	2.0
147.11696	2.5
149.13278	2.4
159.11705	1.2
161.13287	2.1
163.14822	1.0
173.13289	1.0
175.14848	1.3
243.21252	0.7
261.22092	1.0
263.23627	3.2
304.26370	10.1
306.27908	15.5
306.31146	1.0
335.25839	4.3
337.27365	5.4
352.65573	0.6
396.92596	0.5
597.48798	100.0
598.49176	4.9
605.38806	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.3
56.05029	0.9
56.88931	0.1
57.03437	0.3
57.07072	0.8
58.06640	0.6
58.15205	0.1
59.05005	0.3
59.07113	0.1
59.07384	0.2
60.08167	5.9
63.41460	0.1
67.05508	0.8
69.07073	0.2
70.06597	0.6
71.04994	0.2
71.07377	3.1
71.08633	0.4
72.08157	0.1
79.05496	0.4
81.03413	1.1
81.07069	0.8
83.08621	0.6
85.10198	0.3
86.09709	28.6
87.10080	0.2
91.05486	0.5
93.07055	0.5
95.04965	0.5
95.08611	0.6
97.10194	0.2
98.98470	3.1
98.99120	0.2
100.75980	0.1
104.10746	2.1
105.07034	0.3
105.85802	0.1
107.08547	0.2
108.63485	0.1
109.10156	0.3
117.09167	0.1
119.08575	0.2
121.10187	0.2
125.00010	19.7
131.08553	0.1
133.10167	0.2
139.12581	0.1
143.01038	0.1
147.11731	0.2
157.10033	0.2
166.02753	0.2
184.07347	100.0
185.07750	0.7
193.12213	0.4
209.04611	0.1
267.15933	1.6
313.27362	1.5
362.30423	0.2
505.38852	1.6
597.48584	0.3
669.91486	0.1
686.62427	0.2
688.45483	6.8
689.45691	0.3
720.46368	0.3
736.17920	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	738.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.6
59.05007	29.5
66.74049	1.2
67.05515	4.2
69.07104	1.2
71.51443	2.1
79.05494	2.2
81.07053	5.1
84.22196	1.2
85.34347	1.2
91.05481	1.5
93.07058	3.1
94.06613	1.7
95.08613	4.1
115.07646	1.7
117.09141	5.5
157.36552	1.6
171.09152	4.0
175.13275	3.2
182.08179	2.5
199.08731	6.3
209.10774	1.8
213.10197	1.3
217.09718	14.9
225.10381	1.6
227.08316	1.9
227.11784	2.6
233.17511	2.3
236.09309	1.3
253.09746	1.6
277.09866	1.7
326.12759	1.8
419.18256	1.9
420.07050	1.6
443.18457	2.3
444.19324	1.4
461.20050	2.7
465.19223	1.9
471.18088	1.9
477.19226	1.9
483.54648	1.6
485.19626	3.7
486.20612	2.2
489.19388	2.3
493.18124	3.2
502.20306	1.7
503.21356	2.2
513.19769	2.7
519.20111	2.0
521.21497	3.7
529.22284	2.1
530.19586	1.7
531.20300	1.8
535.23297	3.1
545.21844	5.0
553.24121	4.0
561.24548	1.5
562.22083	4.5
563.23090	1.9
573.21234	5.3
573.30182	1.4
577.24072	1.5
581.24017	1.9
587.23260	2.0
597.48157	7.9
605.23969	20.2
616.04309	1.7
619.25732	7.6
621.26715	3.1
623.25189	6.7
637.26111	4.3
639.28186	6.7
655.27655	100.0
656.28339	18.6
688.31378	15.2
706.32446	30.3
737.52362	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	737.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.01880	0.5
55.05508	1.6
57.03436	1.9
59.05005	0.3
61.02936	5.8
61.45576	0.4
65.03948	0.3
67.05509	4.4
69.03428	3.9
69.07076	1.8
70.06597	8.1
70.89735	0.9
71.01360	0.6
71.05000	0.6
72.08153	1.2
72.92922	0.3
73.02924	4.3
79.05495	5.9
80.05794	0.3
81.03430	3.3
81.07059	5.7
83.04977	0.8
83.08618	0.8
84.04495	1.2
84.08120	0.7
85.02914	5.8
86.09225	0.7
86.09712	8.6
87.04461	0.6
87.05582	0.5
87.10063	0.4
89.06019	0.4
91.03960	4.5
91.05484	3.6
93.07046	6.0
95.04986	1.2
95.08615	3.2
97.02904	5.6
97.06528	0.6
99.04469	1.0
101.02402	2.2
101.07142	0.4
103.03947	0.6
105.04525	0.4
105.07033	1.9
107.04992	0.5
107.08601	1.5
109.02877	0.9
109.10170	1.3
115.03947	0.5
119.08615	1.4
121.10148	3.5
123.11742	0.4
127.03930	1.5
129.05539	0.4
130.06529	0.4
131.08598	1.7
133.10150	1.9
135.11726	0.7
136.07619	1.7
139.11159	0.5
141.10262	0.9
145.04974	0.5
145.10141	0.8
147.11662	0.8
149.09589	0.8
151.11188	0.4
157.10074	0.4
159.09222	0.9
159.11722	0.8
169.09790	1.6
183.15010	1.0
184.07365	0.7
185.04320	0.7
193.12325	0.5
198.89702	0.3
225.11047	0.6
243.08386	2.5
251.12627	0.7
269.13654	2.7
277.68317	0.3
282.18213	0.4
307.22842	1.1
443.19000	3.0
469.20590	1.5
487.21542	3.0
491.26166	11.2
575.37628	0.8
693.38531	1.9
719.39850	2.7
737.40820	100.0
738.41095	6.2
741.24139	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36118	1.1
53.03946	4.2
55.01860	1.9
55.05518	12.6
57.03430	4.0
57.07066	5.4
59.05003	3.9
61.02931	3.1
65.03939	2.4
67.05177	2.2
67.05507	25.4
69.03094	1.5
69.03437	24.5
69.07072	32.9
69.67926	2.9
69.68338	5.0
70.06578	4.8
71.01353	1.2
71.04992	4.0
71.59236	1.3
72.94216	1.3
73.02885	2.1
74.21268	1.2
77.70453	1.2
79.05092	1.4
79.05502	23.0
81.03425	17.7
81.07063	100.0
83.01351	1.9
83.08608	10.3
84.08135	3.0
85.02911	41.0
85.06536	13.6
86.09708	3.8
87.00836	13.0
87.04464	4.8
89.06033	3.4
91.03938	2.0
91.05482	13.8
93.06490	2.9
93.07052	42.7
93.17291	1.2
95.04966	4.2
95.08612	62.4
96.08944	2.2
97.02294	2.4
97.02897	35.9
97.06529	1.8
97.10188	6.4
98.21407	2.0
99.04469	12.1
99.08089	12.1
105.01884	7.1
105.07032	19.6
106.02948	3.2
107.04904	1.2
107.08595	47.7
109.02905	8.2
109.06548	1.5
109.10162	48.1
111.08068	1.4
111.11736	5.2
113.09654	4.2
115.03960	1.5
115.47641	1.3
117.07017	1.7
119.08578	19.9
121.10151	52.9
123.11718	17.2
124.03944	11.6
125.09659	1.9
127.03928	32.5
127.11192	9.4
131.08571	2.5
133.10132	8.7
135.11700	19.3
137.13271	7.8
145.04990	16.7
145.10150	5.4
147.11720	7.5
149.09753	1.1
149.13271	52.3
151.14850	2.5
157.10106	1.6
159.11662	5.1
160.64467	1.4
161.13258	6.6
163.13448	2.6
163.14821	43.6
164.15213	1.6
167.14259	1.4
169.10011	1.4
173.13266	2.9
175.14836	2.9
177.16408	9.4
181.15919	2.6
184.07379	2.1
185.13269	1.3
187.14745	1.7
189.16321	2.8
191.18015	3.1
195.17505	2.4
197.13237	1.4
203.17990	3.8
209.19032	2.4
213.03854	1.9
217.19550	5.8
220.53294	1.3
221.18936	2.2
223.20613	1.5
231.05006	17.4
231.20961	1.4
235.20628	2.0
249.06113	11.5
250.17548	1.4
268.08264	1.5
273.25784	7.9
286.09299	8.0
289.25397	2.3
291.26837	44.7
399.29153	1.7
604.39441	1.7
736.40100	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	736.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.4
55.01859	1.8
55.05515	13.5
56.05026	1.3
57.03422	5.4
57.07074	4.7
59.05005	3.3
61.02936	2.2
65.03958	2.1
65.47901	1.2
67.05509	28.5
69.03091	1.8
69.03439	24.7
69.07073	28.1
70.00490	3.6
70.00877	2.6
70.06590	4.6
71.04984	4.8
71.08632	1.9
72.08151	3.1
73.02898	1.8
79.05498	23.4
81.03423	19.4
81.07066	100.0
83.05013	1.7
83.08623	11.2
84.08181	1.7
85.02913	44.6
85.06562	10.8
86.09705	4.1
87.00838	13.1
87.04470	4.5
91.05495	11.2
93.07050	49.0
93.07639	2.5
95.04955	3.2
95.08615	59.0
96.08907	2.1
97.02906	39.0
97.10160	6.3
99.04472	11.6
99.08113	10.1
105.01862	8.2
105.07046	17.3
106.02907	4.5
107.07882	2.7
107.08605	49.8
109.02917	7.7
109.10167	48.7
109.10918	2.1
110.10490	1.9
111.04398	2.0
111.07988	1.5
111.11733	3.8
113.09664	3.5
115.05438	1.3
117.07037	1.6
119.08578	17.4
121.10155	63.6
123.11728	17.5
124.03982	15.7
127.03928	36.2
127.11182	9.2
131.08586	2.1
133.08589	1.7
133.10144	10.3
134.10449	1.3
135.11700	28.5
135.12721	1.9
137.13248	8.2
137.22798	1.3
143.08560	1.6
145.03925	2.4
145.04976	26.4
145.06097	1.0
145.10133	3.4
147.11658	9.2
149.13275	67.1
151.14828	3.7
159.11691	5.2
161.13289	8.3
161.57307	1.7
163.11256	1.4
163.14844	47.4
165.16447	2.5
171.02823	1.9
173.13211	2.3
175.14853	3.6
177.16422	11.6
184.07303	1.9
187.14799	1.4
189.03862	1.7
189.16399	4.5
191.17938	5.0
203.17957	4.7
205.19612	1.9
209.19000	3.2
213.04115	2.1
217.19479	4.8
221.18967	2.8
231.05014	21.3
231.20953	1.8
235.20598	3.3
249.06102	14.9
273.25784	9.3
286.09253	8.4
289.25372	2.1
291.26859	58.7
514.61292	1.4
559.56946	1.5
619.16443	1.6
653.22913	1.5
736.20313	1.6
767.25104	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	735.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	13.3
55.01871	5.9
55.05501	18.1
57.03432	10.9
57.07068	6.3
59.05008	38.1
60.05303	4.5
61.02917	4.3
67.05510	35.4
69.03436	35.9
69.07076	33.4
70.06583	15.8
71.04977	20.6
72.08162	7.9
79.05490	32.9
81.03416	23.9
81.07065	100.0
83.08615	12.8
84.08139	13.2
85.02906	66.6
86.09706	12.1
87.00829	24.9
87.04514	5.1
89.06023	11.1
91.05498	27.3
93.07050	67.2
95.04975	10.3
95.08621	71.4
97.02892	29.3
97.06517	10.8
97.10164	9.3
99.04448	11.9
99.08105	6.4
103.05404	5.2
103.07607	7.2
105.01897	26.3
105.07050	50.4
107.08609	67.6
109.02862	19.4
109.10171	86.1
109.10899	3.8
111.04442	5.8
111.11699	7.4
115.03918	7.6
115.11845	4.7
117.06995	8.3
119.08595	50.8
121.06548	4.8
121.09356	6.1
121.10160	65.2
123.08072	5.3
123.11726	30.2
125.09669	7.7
127.03922	32.0
127.11194	55.7
128.06209	4.9
131.07036	21.3
131.08553	16.7
133.10144	36.7
135.07996	4.7
135.11688	32.3
143.10680	7.1
145.04961	15.9
145.10123	18.1
147.11737	25.5
149.13301	45.4
157.10138	10.1
159.02975	7.1
159.11729	25.3
161.13315	25.1
163.14803	17.5
171.11777	7.2
173.13280	26.2
175.14827	13.8
177.16418	11.4
181.09816	5.6
187.14795	24.5
189.16408	10.6
191.17944	13.0
193.15892	6.6
199.14894	5.9
201.16420	11.5
203.17976	47.8
215.17955	10.5
217.19504	7.4
226.88115	5.3
231.05099	7.9
271.24216	47.6
289.25272	45.1
325.62451	5.0
414.66302	5.0
416.98486	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	734.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	1.9
53.03949	9.9
55.01873	7.6
55.05513	13.4
57.03434	3.9
57.07072	3.5
61.02923	4.9
65.03941	3.6
67.05508	41.4
68.99786	2.5
69.03429	26.0
69.07075	20.2
69.53255	8.5
71.05000	2.9
71.08645	1.5
73.02919	5.7
73.59653	1.3
77.03925	2.6
79.05498	29.5
81.03426	26.6
81.07063	100.0
83.04997	1.5
83.08631	9.8
83.89568	1.2
85.02910	60.2
87.00833	24.0
87.04475	3.3
91.03967	2.4
91.05491	27.9
93.07050	69.4
95.05007	2.3
95.08614	78.6
97.02904	21.8
97.10181	4.8
98.21484	2.5
99.04481	10.3
103.05492	1.7
104.07108	5.3
105.01870	28.8
105.04521	1.6
105.06317	2.2
105.07041	58.9
107.08603	82.6
109.02882	24.9
109.06517	2.2
109.10165	68.2
111.11710	2.1
111.27133	1.3
113.65334	1.4
117.01870	3.3
117.06988	6.7
119.08591	60.1
121.10154	54.8
121.11025	1.9
122.10543	1.4
123.08098	2.3
123.11718	22.0
127.03931	42.7
129.01843	2.9
131.08572	13.1
133.10143	30.5
135.10699	2.2
135.11710	29.1
137.13275	5.1
143.08592	1.7
144.09326	2.1
145.04973	16.7
145.10143	24.6
147.02884	1.8
147.11694	32.4
147.12813	2.4
149.13277	36.5
149.78238	1.4
157.10159	2.5
159.02898	11.6
159.11708	34.6
160.12485	1.4
161.13263	35.5
163.14838	28.6
171.11702	1.3
173.13295	14.8
175.14841	25.7
177.16409	13.8
185.13284	1.6
187.14864	9.8
189.03905	2.2
189.16385	15.8
191.17947	3.9
195.44283	1.1
201.16417	18.8
202.19107	1.1
203.17976	12.6
203.67104	1.2
213.03920	2.2
215.17982	31.1
229.19469	2.6
231.05016	9.9
231.21201	4.8
249.06070	4.1
269.22717	2.3
271.21277	2.8
271.24219	54.5
272.24533	1.6
289.25204	6.4
354.19427	1.2
379.26544	1.4
468.33609	1.4
527.64551	1.3
688.72681	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	734.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56472	1.4
53.03941	5.5
55.05511	14.3
57.03429	1.5
57.07076	3.9
61.02941	2.4
65.03947	2.6
67.05177	2.8
67.05509	37.7
68.83006	1.4
69.03427	18.7
69.07073	19.3
69.25797	14.5
69.26131	2.4
77.03911	1.6
79.05498	30.2
81.03427	8.9
81.07062	100.0
83.08633	8.7
85.02915	31.0
87.00825	7.8
87.04487	3.1
91.05489	28.9
93.07053	60.4
93.07646	3.2
95.05002	3.4
95.08617	69.6
97.02905	22.2
97.06506	2.3
97.10166	5.8
99.04453	6.3
103.05442	1.8
105.01865	4.4
105.06322	2.9
105.07035	59.1
106.07817	1.6
107.08601	75.8
109.02865	3.7
109.06516	2.6
109.10164	57.1
111.11671	2.5
115.05486	1.5
117.07034	7.3
119.08594	55.4
119.83842	1.5
121.10154	55.9
123.11703	22.1
127.03922	26.1
131.08566	15.2
133.10126	22.5
135.11708	22.3
137.13272	3.5
137.53802	1.4
143.08537	2.1
144.09357	2.4
145.04964	21.5
145.10118	18.7
147.11705	25.8
149.13266	34.4
157.10126	2.4
159.11711	27.8
160.67464	1.8
161.13269	26.0
163.14830	29.0
173.13240	9.9
175.14847	21.6
177.16408	12.8
185.13287	1.9
187.14835	10.7
189.16420	13.8
191.17973	5.0
201.16415	11.3
203.17958	8.9
208.62442	1.8
213.04050	1.7
213.16339	1.9
215.17979	29.0
216.18425	2.3
229.19547	3.0
231.05045	18.0
231.21101	5.9
249.06024	18.8
250.68936	1.5
271.24237	47.6
272.24838	2.2
289.25317	5.5
315.13577	1.9
396.47830	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	733.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
55.01861	0.5
55.05512	2.7
57.03444	3.4
59.04994	0.6
61.02928	6.0
65.03931	0.5
67.05507	6.8
68.05854	0.5
69.03432	3.4
69.07065	1.8
70.06598	1.0
71.01353	0.7
71.04991	0.7
71.50638	0.6
73.02919	4.8
79.05070	0.6
79.05498	6.6
81.03425	6.4
81.07064	7.4
82.07387	0.6
83.04964	1.0
83.08617	1.5
85.02908	4.9
86.09724	1.2
87.04465	0.7
89.06055	0.4
91.03955	3.2
91.05486	4.9
92.05813	0.6
93.07047	7.2
94.07390	0.4
95.04976	1.1
95.08611	4.3
97.02906	6.3
97.06561	0.8
99.00807	1.0
99.04460	0.9
101.02370	2.1
105.07024	2.7
107.04958	0.5
107.08604	2.1
109.02892	1.7
109.06516	0.4
109.10161	1.9
111.08073	0.5
113.94077	0.3
115.03984	0.4
115.07707	0.4
117.07043	0.7
119.08598	3.2
121.06532	0.8
121.10149	3.6
123.11737	0.7
127.03945	1.6
131.08586	1.4
133.10162	2.7
135.11722	1.6
137.09668	0.8
145.04967	0.7
145.10173	1.0
147.11737	0.9
148.07607	0.5
149.09743	0.4
149.13287	0.6
151.11169	0.9
159.11758	0.9
161.09651	0.5
161.13333	0.4
165.09149	0.6
173.13254	0.5
184.07347	0.9
185.04301	0.8
203.05321	0.5
210.53799	0.4
239.12862	1.3
240.13141	0.5
243.08501	1.1
257.12280	0.4
265.09470	1.8
267.16037	1.4
273.17029	0.5
283.10452	1.1
299.14587	0.4
301.11441	1.0
307.22748	0.8
309.24243	1.3
319.12988	0.5
335.26013	0.9
336.26230	0.8
421.88428	0.4
483.18262	3.1
491.26169	9.0
500.34497	0.9
501.17786	0.4
501.36060	0.7
517.34729	0.5
518.36475	0.9
683.27295	0.6
697.20197	0.4
733.37646	100.0
734.38068	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	733.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	1.4
55.01851	0.6
55.05458	2.2
57.03384	0.6
57.07036	0.4
58.38234	0.4
59.04959	0.4
65.03928	0.7
67.05447	3.9
68.99760	0.8
69.03378	1.3
69.07009	1.7
70.06587	3.1
71.04950	0.8
71.50572	0.7
72.08097	1.3
72.74301	0.3
73.23898	0.4
77.03896	0.4
79.05503	3.9
81.03413	3.1
81.07060	11.6
83.04955	0.6
83.08596	0.5
84.04435	0.6
84.08096	1.5
85.02840	1.4
86.06384	0.4
86.09690	1.8
91.05486	5.0
93.07053	8.3
95.04908	1.6
95.08617	7.0
97.02843	1.0
97.06472	1.0
97.10114	0.8
100.11248	0.4
105.03377	0.6
105.07041	9.6
107.04926	1.0
107.08608	7.3
109.02818	1.5
109.06508	0.6
109.10168	5.0
111.00766	0.9
111.04383	1.2
111.08010	0.4
117.06989	1.2
119.08585	9.8
120.08034	0.4
121.02879	13.5
121.03734	0.6
121.06469	0.8
121.09370	0.4
121.10146	7.1
123.08007	1.4
123.11671	0.9
125.09555	1.1
125.69700	0.4
127.03928	2.4
128.06142	0.6
129.06989	0.4
129.10220	0.4
131.08571	2.8
133.02820	0.6
133.10150	4.2
135.04413	0.4
135.08005	0.8
135.11749	2.0
136.07530	0.5
137.02347	1.9
137.09561	0.5
140.24347	0.4
141.01801	1.0
142.07721	0.5
143.08508	1.3
145.06430	0.6
145.10130	3.5
147.04424	2.4
147.11674	3.9
149.09651	0.7
149.13264	3.2
153.01848	4.1
155.08530	0.9
157.06429	0.7
157.10139	1.9
159.10379	0.5
159.11688	4.7
161.05925	0.5
161.13271	2.3
163.11163	1.0
163.14763	1.7
165.01839	4.3
169.06400	0.4
169.10071	1.3
171.04391	0.5
171.11607	1.5
173.13248	2.5
175.11191	1.1
175.14761	1.0
181.09976	0.4
182.15379	0.4
183.02838	1.7
183.11659	0.4
184.07332	0.5
185.13214	1.1
187.14835	3.7
189.12717	0.7
189.16399	6.9
189.17982	0.3
197.05923	0.7
197.13298	0.9
199.14810	1.2
201.05444	0.7
201.16374	1.0
203.17941	1.3
211.14778	1.2
213.05573	1.8
213.07367	0.6
213.16302	0.9
215.14249	0.7
217.15800	0.4
225.05446	0.5
225.16386	0.7
227.17943	1.2
229.15991	0.4
229.19519	1.5
231.06482	0.7
241.04851	1.3
243.06537	1.7
257.22702	2.5
258.05154	0.8
267.21124	2.6
271.06003	0.7
285.22122	3.2
287.05515	100.0
288.05777	2.0
299.05524	51.4
300.06000	1.1
301.07022	1.9
313.07120	0.5
329.06592	1.0
355.11804	0.5
429.26630	1.3
447.27563	0.7
571.27228	1.7
733.32434	0.7
738.11731	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.5484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.7
54.04644	0.5
55.05520	3.9
57.03438	0.6
57.07081	32.8
59.05000	2.3
61.02927	0.5
67.05511	6.2
68.05850	0.8
69.07076	3.5
71.04992	2.0
71.08637	28.1
73.02919	1.8
73.06564	10.3
79.05501	4.6
81.07067	6.6
82.07395	1.6
83.08624	3.4
85.02886	0.5
85.06554	0.6
85.10188	16.4
86.09721	2.2
87.04477	10.5
89.06039	100.0
91.05488	2.1
91.07580	1.0
92.05831	1.2
93.07043	4.1
94.07420	1.1
95.04990	0.5
95.08624	2.2
96.08297	0.5
96.08942	0.7
97.10191	3.5
99.11747	4.1
105.07029	1.8
107.07047	1.8
107.08593	1.1
109.10159	1.2
111.11735	2.8
113.13275	1.8
116.07143	0.8
117.09140	9.2
119.08590	1.4
121.10163	2.0
122.10503	0.8
123.11752	0.7
124.12063	0.5
125.00024	1.6
127.14846	1.5
130.08653	1.8
131.07071	3.2
131.08617	0.7
132.16075	0.5
133.08615	51.7
134.10526	0.6
135.10153	1.6
145.10161	0.5
161.11754	2.5
161.13062	0.5
161.39125	0.5
169.19524	3.5
175.09671	2.3
177.11243	20.3
184.07365	6.3
193.94655	0.5
195.00368	1.6
195.22841	0.5
213.22221	2.8
219.12415	0.5
221.13828	4.7
223.15352	0.7
239.14973	0.5
257.24741	5.8
265.16440	1.4
283.17410	0.6
301.27432	3.5
302.20602	0.7
307.22882	1.1
308.23364	0.7
309.19177	0.8
475.34369	0.9
476.34573	2.1
477.34787	3.6
487.71265	0.7
533.38214	0.6
534.38702	2.0
535.38995	5.1
547.33179	1.1
561.38550	0.7
631.79523	0.5
666.47113	0.6
697.36389	0.6
715.52032	1.9
732.54889	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	732.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	3.4
53.03942	9.7
55.01881	5.1
55.05515	22.7
56.64742	2.1
57.03444	24.0
57.07079	4.5
59.04999	3.3
61.02950	2.5
65.03944	4.3
67.05506	66.8
69.07069	17.0
71.00027	5.0
71.05000	4.8
79.05499	65.7
81.03424	95.1
81.07061	62.7
83.04997	6.5
83.08617	28.9
85.06537	4.8
86.09711	13.1
91.05487	50.0
93.07054	66.9
95.04975	32.5
95.08609	35.7
97.02882	5.2
97.06528	4.5
97.10172	6.7
99.08103	4.4
105.04559	2.3
105.07046	35.0
107.04952	9.2
107.08604	34.0
109.06529	4.2
109.10175	20.1
111.08082	7.8
115.05438	3.9
117.07010	10.9
119.08604	29.5
121.06522	4.8
121.10147	35.4
123.04410	2.7
123.08076	3.6
123.11744	5.5
125.00018	4.7
125.09663	8.6
129.07005	11.6
129.12926	2.4
131.08574	24.2
133.06512	3.9
133.10150	19.5
135.08057	5.4
135.11699	29.4
137.09615	5.1
142.07802	4.8
143.08633	4.4
145.10172	14.7
147.08055	5.6
147.11699	15.3
149.09642	8.4
149.13297	13.9
157.10095	15.9
159.11720	10.9
161.13260	4.5
163.11232	4.2
165.12791	2.3
166.92929	2.2
173.13274	8.8
175.11215	8.7
175.14845	2.8
183.11647	3.3
184.07367	29.4
187.14832	2.8
189.11156	4.9
193.12268	24.0
205.19504	2.7
215.17990	28.0
227.12793	4.8
233.19069	26.5
235.13377	3.1
240.18402	2.2
267.15918	100.0
273.22119	4.2
285.16885	2.6
307.22699	93.0
308.22797	2.2
375.89603	2.4
396.91180	2.4
407.29367	5.4
425.30539	10.5
443.31735	4.4
457.10165	2.5
499.27136	4.0
499.34274	57.0
517.35217	44.0
535.36023	2.5
541.34979	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	731.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.1
57.03438	0.8
59.04997	1.6
67.05503	3.0
69.07069	1.3
70.00629	3.0
79.05486	2.9
81.03414	1.1
81.07054	4.1
83.08625	0.9
86.09716	0.8
91.05471	1.7
93.07062	3.2
94.06588	0.9
95.08590	3.5
105.07053	1.3
107.08589	1.1
109.10184	1.2
117.07069	1.7
119.08599	1.5
121.10147	1.5
121.14460	0.6
125.00034	0.8
137.09654	0.8
145.10141	1.4
161.13324	0.7
184.07407	2.9
207.09235	1.0
209.10753	0.8
210.11507	1.0
211.08871	0.7
223.12358	2.1
224.13118	0.9
225.10347	0.8
225.13904	2.3
235.12370	1.4
236.13155	0.7
237.10237	1.6
237.13902	2.2
249.13824	0.9
255.11588	0.8
267.15430	0.7
269.13013	0.8
273.13620	1.0
275.15463	0.7
299.10461	0.7
300.15070	0.8
324.14926	0.8
339.13535	0.7
346.15363	0.7
354.12335	1.0
356.13986	1.1
358.15631	0.8
370.15607	1.0
371.16235	0.9
376.17471	1.1
382.15851	0.9
389.17923	1.0
391.19272	1.6
403.19952	0.7
405.20795	2.1
416.16150	1.1
417.17285	3.6
418.17538	1.2
419.22568	2.0
420.23651	1.2
426.14630	1.1
431.18771	2.9
432.19272	0.9
433.19989	0.9
435.18127	2.3
445.20682	1.6
446.21356	0.8
447.21979	3.1
448.22934	1.3
448.28760	0.8
449.19760	3.9
450.20651	3.2
456.19431	1.3
457.16809	1.2
458.17532	0.8
461.24380	0.8
462.24179	1.9
463.21320	2.5
464.22012	1.6
465.23126	1.7
473.19843	1.6
474.20731	0.9
475.21194	1.3
477.23087	1.3
479.24445	6.3
487.21973	1.6
488.22427	1.5
491.20166	0.9
493.22427	2.4
493.27252	0.7
501.19394	3.6
502.19989	0.9
505.22778	3.4
506.23547	4.1
507.24060	14.8
508.24774	0.9
515.20898	3.3
516.21722	6.0
519.23846	1.5
520.25043	1.1
521.25677	7.9
523.23315	1.3
533.22107	2.2
537.24689	2.1
547.23413	1.3
548.24402	4.8
551.26343	1.0
552.27490	2.4
565.24652	3.9
569.27448	0.9
575.23242	1.9
579.26013	7.5
580.26843	100.0
581.27020	5.5
607.25549	9.8
608.26221	1.1
623.28961	3.5
635.25037	17.9
636.25500	1.4
639.28229	2.3
667.27698	42.2
668.27887	3.1
699.29773	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78817	1.4
55.05530	1.9
56.95505	1.4
57.07077	6.6
59.04997	3.3
60.08162	1.6
67.05518	3.9
69.03412	1.8
69.07078	3.8
71.08636	7.6
79.05506	3.3
81.07058	6.6
83.08617	2.0
85.10191	4.3
86.09719	5.1
87.04485	3.6
89.06046	27.4
89.76256	1.8
91.05515	3.5
93.07056	2.9
94.98112	1.6
95.08631	5.8
105.07040	4.9
107.08609	4.2
109.10183	2.7
117.09110	1.8
119.08629	2.2
121.10143	2.3
125.00069	3.6
133.08624	17.2
133.10147	2.4
145.10164	2.0
170.87959	1.5
177.11313	5.2
184.07347	19.0
190.69611	1.5
221.13782	1.7
379.19308	3.3
390.19363	2.1
391.19028	2.1
393.21136	2.9
407.22668	2.9
408.19827	2.8
409.20441	7.7
421.20264	5.3
422.20908	2.9
423.21890	12.1
424.22229	3.1
435.22162	3.2
437.23770	3.3
447.22177	2.8
451.21408	3.6
454.19632	1.8
463.21420	3.7
465.23279	2.2
466.20178	4.7
467.20547	3.0
475.21533	2.9
481.22354	5.4
489.22949	1.9
493.22687	5.1
494.23917	2.5
495.24106	6.9
503.30328	2.0
507.24249	3.3
508.24832	7.4
509.26395	7.7
510.26407	6.1
511.27255	9.6
521.25720	3.0
522.25970	2.1
523.26978	3.4
525.21820	3.0
537.25012	26.6
538.25500	2.7
539.22302	7.5
549.24829	2.2
551.23486	2.3
553.28052	3.6
554.25177	32.8
555.25842	6.1
581.27606	3.1
582.25879	2.5
583.25165	3.0
597.27295	12.7
598.27496	3.5
612.29645	7.0
613.30420	14.2
625.26593	3.5
641.26038	3.6
656.28613	10.2
657.28577	7.4
667.27362	5.3
699.30212	100.0
700.30774	6.4
731.32904	92.7
731.52045	2.7
732.33185	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	731.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.9
55.90472	0.9
56.05057	0.9
56.97746	1.3
57.03435	1.3
57.07087	1.1
59.05006	3.1
60.08157	1.1
67.05504	4.0
71.51414	1.7
79.05521	2.5
81.07056	4.8
86.09716	4.1
89.06055	1.6
91.05489	3.6
93.07056	3.3
95.04968	1.2
95.08611	3.5
97.02901	1.2
104.35590	1.1
105.07047	3.0
107.08578	2.3
109.10162	2.4
109.11303	0.9
119.08585	1.5
121.10175	2.1
123.11739	1.1
125.00031	2.4
132.59995	0.9
133.10201	1.1
135.10651	1.0
135.11667	1.4
141.69891	1.0
143.08578	1.3
145.10133	1.7
158.09644	1.0
161.10840	1.0
184.07375	14.7
185.07690	1.1
199.59007	1.1
236.13382	1.1
237.13907	1.9
247.12241	1.0
250.14427	1.1
251.15457	1.4
262.13486	1.7
264.66293	1.0
276.14896	1.4
327.17130	1.2
330.16287	1.0
341.19791	1.1
342.19382	1.0
344.14117	1.1
376.12875	1.3
377.17722	1.7
378.18839	1.2
379.19608	1.6
380.20023	1.7
381.21005	2.0
391.15274	1.5
391.19730	1.6
393.16769	1.6
393.21240	1.9
394.18045	1.9
395.18832	1.5
405.16928	2.3
407.18311	1.7
407.22934	2.5
408.19498	3.0
409.20309	7.7
417.17331	1.5
420.19733	1.7
421.20419	3.7
422.21313	3.3
423.21997	20.6
424.22537	3.8
433.20584	2.3
435.21838	3.2
437.23395	3.8
438.24173	4.2
447.22406	1.6
449.24164	1.4
451.21460	1.4
453.19434	0.9
461.24011	2.2
462.20828	1.5
463.21426	1.9
466.20212	3.2
467.20911	2.4
469.25711	1.2
475.21149	2.2
477.23196	2.1
479.21085	1.4
481.22705	4.7
489.19135	1.9
491.21030	1.2
493.22794	1.9
494.22943	1.3
495.23846	4.5
507.23868	3.0
508.25012	5.3
509.25955	7.1
510.26385	3.3
511.27765	4.8
513.24866	2.1
519.23486	1.6
520.22491	1.5
521.26215	6.7
522.26318	3.2
523.27118	3.3
525.21838	4.3
527.26563	1.8
528.27527	1.3
537.25201	14.6
538.25592	3.4
539.23395	4.5
548.24048	1.6
549.24872	2.1
551.23236	1.6
552.27283	1.2
553.28864	6.3
554.25299	23.5
555.25842	6.4
565.25006	1.8
567.22180	1.4
571.29987	1.3
579.24841	1.5
580.26752	3.0
581.27643	3.5
582.24957	2.2
583.25305	1.7
592.22437	1.2
593.23468	2.2
597.27570	9.4
598.27893	4.4
607.25000	1.9
609.24133	2.0
612.29492	8.0
613.30597	4.8
625.26843	4.2
635.25958	1.5
639.27863	3.3
640.29034	6.3
656.28516	7.7
657.29382	9.0
667.27692	13.3
671.26538	2.5
672.31274	7.1
681.29529	2.3
699.30255	89.3
700.30896	5.4
731.32880	100.0
732.32709	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	730.5678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.9
57.07081	31.2
59.05003	2.6
67.05508	0.9
69.07074	4.6
70.81049	1.0
71.05003	0.4
71.08637	28.7
73.02917	0.8
73.06564	10.4
74.09712	1.0
81.07047	1.5
83.08624	4.6
85.10191	17.0
85.81094	0.3
86.09732	0.5
87.04478	9.1
87.04978	0.7
89.06039	100.0
90.06359	0.5
91.07605	1.1
95.08600	0.8
97.10181	6.0
99.11736	3.7
107.07067	1.3
109.10141	0.4
111.11733	3.6
113.06007	0.3
113.13291	1.2
117.09147	8.2
121.10134	0.4
124.99989	0.4
125.13265	1.7
127.14837	1.6
127.71899	0.3
130.08672	2.1
131.07063	3.0
133.08612	49.9
135.10187	0.7
139.14847	0.6
141.16396	1.4
154.50348	0.3
155.17969	0.8
161.11723	2.0
163.38438	0.3
169.19495	0.4
175.09666	2.0
177.11238	19.9
184.07391	1.5
211.24251	1.7
219.12404	0.7
221.13861	4.1
223.35497	0.3
235.60648	0.3
239.14827	0.6
255.26801	1.7
265.16443	1.5
283.17496	1.1
299.29483	5.6
309.19009	0.9
327.20291	0.6
343.32080	2.4
351.06097	0.3
371.22424	0.6
415.25546	0.3
503.30377	1.2
520.55377	0.4
526.41559	0.3
584.21881	0.3
589.49121	0.3
713.54376	2.3
730.57318	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	730.5311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17797	0.5
54.65049	0.5
55.05522	2.5
57.07080	30.6
59.05002	10.7
63.77758	0.6
67.05500	1.7
67.28571	0.5
69.06770	0.5
69.07077	5.1
69.33847	4.6
71.08633	27.4
73.02913	1.2
73.06557	8.6
77.06042	0.9
79.05481	0.6
81.07059	1.7
83.08630	4.8
85.10186	15.7
86.09710	1.4
87.04470	19.1
89.06035	45.3
91.05494	0.6
91.07592	0.6
93.07063	1.3
95.08630	1.0
97.10180	4.7
99.11714	2.2
103.03947	100.0
103.07578	7.6
104.04333	0.6
105.06982	0.7
107.07107	1.2
107.08611	0.6
111.11726	3.3
113.06013	1.0
113.13301	1.6
117.09141	7.8
119.07070	1.5
119.08587	0.7
119.87341	0.6
121.08632	1.5
125.00022	0.7
125.13271	1.4
127.14848	2.1
130.08675	1.1
131.07043	5.2
133.08612	17.0
135.10265	0.6
139.14842	0.9
141.16380	1.0
145.10127	0.6
147.06529	9.7
147.10168	2.0
150.41257	0.5
161.11765	1.4
163.09666	2.6
175.09691	2.0
177.11234	7.3
184.07358	4.8
191.09157	6.0
197.22639	1.9
207.12376	3.5
221.13902	2.7
235.11787	5.1
235.13995	0.7
241.25278	1.7
256.27982	0.5
260.23868	0.9
265.16483	0.6
265.83829	0.5
278.24826	1.1
279.14490	1.1
285.25241	0.9
285.27872	4.6
329.30630	3.1
353.00323	0.6
367.19650	0.6
517.28723	0.8
713.50269	0.7
730.53375	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	730.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.5
51.86932	0.9
53.03948	5.2
55.01854	2.1
55.05276	1.3
55.05516	19.5
56.64351	0.9
57.03450	7.5
57.07067	3.1
59.05005	4.3
60.08155	1.2
61.02925	4.7
63.89216	0.9
65.03934	3.1
67.05507	72.5
69.03418	3.1
69.07072	11.8
71.05000	22.5
71.08614	0.9
72.95919	1.2
73.02899	2.0
77.03062	0.9
77.03903	1.5
79.05496	58.8
80.57814	1.0
81.03403	3.2
81.07059	100.0
81.37948	0.8
82.07394	0.9
83.04972	3.9
83.08624	8.7
85.02899	3.7
85.06168	0.8
85.06556	9.7
85.42283	0.9
86.09711	4.4
87.04494	1.0
90.89326	0.9
91.03925	1.6
91.05486	37.5
93.07046	54.6
95.04990	4.9
95.08608	22.9
97.02922	2.2
97.06538	5.9
97.10166	2.3
99.08076	2.6
103.05505	1.1
105.04516	1.5
105.07034	20.5
107.08592	19.2
108.08872	1.1
109.06529	1.8
109.10164	11.5
111.08076	2.2
117.07043	6.8
119.08572	10.0
121.10143	29.7
121.32484	0.9
123.08076	1.4
123.11703	14.2
125.00018	2.5
125.09663	2.2
127.03889	0.9
129.06989	1.1
131.08575	9.3
133.10135	22.7
135.11705	9.6
135.68190	0.9
137.76190	0.9
145.10132	6.1
147.11707	4.7
149.13263	6.0
151.11154	7.1
157.10101	1.9
159.11667	6.1
161.13283	1.4
163.11223	1.2
171.11688	1.6
173.13289	3.5
177.12686	2.5
183.13815	3.0
183.84744	1.1
183.86386	0.9
184.07341	15.7
185.13223	1.4
187.13269	4.2
187.14786	1.8
195.13824	2.0
215.18008	4.6
216.17905	0.9
219.43315	0.9
233.19183	1.8
243.15849	1.8
257.17416	1.5
269.17496	5.8
269.95868	1.0
301.20090	13.5
301.95676	1.1
307.22684	36.6
365.28235	0.9
383.29269	1.1
421.98898	0.9
457.33069	2.6
475.34207	93.1
476.34384	3.3
489.36084	4.9
489.41910	1.0
501.35773	10.6
533.38409	99.0
534.38843	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80479	2.0
52.21676	2.2
53.03949	11.7
55.01872	12.5
55.05514	37.6
57.03445	22.2
57.07066	4.1
60.08179	4.2
61.02929	5.5
65.03923	4.1
67.05507	79.7
69.03425	7.0
69.07073	23.1
70.06590	2.7
71.01339	3.3
71.04999	7.2
71.51045	3.3
73.02902	5.2
79.05499	100.0
81.03423	35.0
81.07056	76.7
83.04982	15.4
83.08629	14.7
85.02920	14.2
85.06541	4.6
86.04304	2.2
86.09715	22.9
91.05486	57.3
93.07048	84.2
95.04983	16.5
95.08060	4.2
95.08617	47.1
97.02902	13.1
97.06544	13.4
97.10170	10.2
98.02737	2.2
98.98492	4.4
104.06290	2.2
105.04512	4.7
105.07040	36.0
107.04964	17.7
107.08589	38.0
109.06511	6.4
109.10159	23.9
111.04423	8.2
111.08057	7.1
115.05433	3.9
117.07021	22.4
119.08596	27.7
121.06497	7.0
121.10162	33.3
123.11728	6.1
125.00004	14.7
125.09631	11.4
127.32424	2.5
129.07010	9.7
131.08571	24.0
133.06433	4.0
133.08572	3.3
133.10152	25.3
135.08069	12.6
135.11693	24.7
137.09618	3.6
143.08557	7.1
144.09314	2.6
145.06523	3.6
145.10135	25.9
147.08020	2.7
147.11665	15.0
149.02394	2.5
149.09618	6.9
149.13257	6.8
151.11154	2.4
153.09082	3.7
153.12775	11.0
155.08580	3.0
157.10182	5.5
159.11705	8.0
161.13246	5.4
163.07529	4.2
163.11194	24.7
165.12711	3.1
169.10135	2.8
171.11739	6.1
173.13203	4.0
175.11333	2.6
181.12238	9.1
184.07352	65.5
186.07750	2.9
189.12810	3.1
191.10677	8.0
193.12289	5.1
197.13313	3.0
199.13269	5.7
209.11736	8.7
213.16396	7.8
215.17931	6.2
227.12811	24.0
229.14372	6.6
231.17413	6.0
233.18881	3.8
243.12630	2.1
255.12257	4.9
267.15857	10.1
273.13324	6.7
283.15472	9.9
299.20258	2.8
304.10883	2.4
307.22736	33.7
309.23514	2.5
323.22446	2.4
335.25842	10.5
405.27808	4.4
475.33975	2.7
497.32108	2.8
515.33771	11.0
533.34875	11.2
730.44983	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	730.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.7
53.03936	3.7
55.01873	6.5
55.05272	2.0
55.05516	25.8
57.03442	13.6
57.07079	3.2
59.05003	3.3
60.08156	2.8
61.02921	7.8
65.03937	4.9
67.05508	84.4
69.03429	6.7
69.06727	1.8
69.07072	23.4
71.05000	7.0
71.51527	1.3
72.60064	1.3
73.02908	2.5
79.05499	69.2
81.03425	6.4
81.07063	61.8
82.07420	1.3
83.05001	11.4
83.08624	15.4
85.02902	10.4
85.06554	4.1
86.09708	13.4
87.04439	1.5
91.03945	4.1
91.05486	61.1
93.07050	64.8
95.04976	14.5
95.08613	38.8
97.02893	8.6
97.06535	14.5
97.10161	6.7
98.97482	1.2
98.98469	2.4
99.04454	1.9
99.08096	3.8
103.05471	2.0
105.07037	44.8
105.57037	1.3
107.04960	9.3
107.08601	40.4
109.06529	7.2
109.10160	31.7
111.04446	10.3
111.08077	8.6
113.06002	2.7
115.05469	2.6
115.07542	2.1
116.06271	1.8
117.05634	1.2
117.07020	22.8
117.07771	1.0
119.08584	36.3
121.06521	6.0
121.10156	27.0
123.08089	7.4
123.11729	7.3
125.00006	8.3
125.05988	3.2
125.09643	4.7
128.06236	4.3
129.05490	2.1
129.07002	14.2
130.07780	2.6
131.04861	1.6
131.08580	29.6
133.06480	5.1
133.10138	41.9
135.08063	11.0
135.11696	31.1
137.05998	1.5
137.09636	8.2
139.11203	1.8
141.07001	6.4
142.07796	2.9
143.08556	15.5
144.09363	1.5
145.06471	3.3
145.10130	35.6
145.11296	2.1
147.08031	6.6
147.11697	19.5
149.02310	1.2
149.09622	14.2
149.13251	5.6
151.11179	6.3
153.09048	2.5
153.12747	1.6
155.08562	10.8
155.10632	1.7
156.09326	1.7
157.10127	18.1
159.08061	4.7
159.11693	16.8
161.09666	10.3
161.13289	7.7
163.07512	2.5
163.11183	14.8
165.12766	1.7
167.08548	2.5
169.10146	9.1
171.08002	2.0
171.11678	16.4
173.09634	9.1
173.11754	3.5
173.13159	8.1
175.11185	10.5
177.09087	1.4
177.12715	3.2
179.10660	6.2
181.10107	4.8
181.12253	2.4
183.11720	6.7
184.07344	37.8
184.08955	2.0
185.07854	1.7
185.09619	3.2
185.13242	7.6
187.11166	8.0
187.14853	3.5
189.11252	1.8
189.12740	6.6
191.10631	6.0
191.14340	2.1
193.12230	2.8
195.10115	1.4
195.11719	4.7
197.09586	1.6
197.13283	4.1
199.11189	3.1
199.14835	3.3
201.09169	1.2
201.12766	3.5
201.16493	2.5
203.14201	1.9
207.11696	1.6
209.11726	17.0
209.13351	2.9
211.11235	1.9
211.14832	4.3
213.12743	2.7
213.16341	6.4
215.14461	1.7
215.18025	8.8
219.11801	1.5
219.13799	1.5
221.13319	1.8
223.14761	1.8
225.16374	3.6
227.12621	6.8
227.16373	5.5
227.18042	4.3
229.14203	8.7
229.19525	1.6
231.17453	5.3
233.19058	5.3
235.14729	1.9
237.16484	2.1
243.17511	5.3
245.18997	9.7
247.17082	2.6
249.18654	2.6
251.20172	1.4
253.14334	3.8
255.15987	5.3
259.20544	2.3
261.18491	3.9
269.19055	4.2
271.17136	1.9
271.20538	1.8
273.18491	5.1
283.15417	41.2
285.16779	2.8
287.20093	14.3
289.17984	4.3
289.21313	2.3
291.19699	1.7
301.16507	1.8
305.21179	4.6
307.22803	10.9
317.21164	1.7
324.36203	1.3
327.72220	1.4
329.21082	2.1
335.22461	2.8
345.20636	5.9
361.23746	4.8
363.21317	2.5
377.28250	1.6
387.26871	3.1
405.23242	2.0
405.27832	11.5
423.28922	17.2
433.25958	1.5
441.30002	13.6
459.30988	6.0
479.31119	1.6
487.34177	3.4
497.32620	28.7
498.33334	1.9
505.35599	1.4
515.33716	100.0
516.33948	5.3
533.22400	1.5
533.34741	35.0
677.38995	1.7
730.41461	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	730.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64008	1.3
53.03939	6.3
55.01872	10.0
55.05271	2.2
55.05512	24.5
57.03439	19.4
57.07064	4.3
59.05000	2.4
61.02919	5.0
65.03938	3.1
67.05505	68.5
69.03433	3.4
69.07067	14.2
69.38358	2.7
69.38760	10.0
71.01351	3.2
71.05008	6.8
71.08643	1.5
73.02921	2.0
77.03937	2.2
79.05494	74.1
81.03418	19.8
81.07055	61.9
82.07417	1.6
83.01342	3.7
83.04983	16.7
83.08609	10.7
85.02922	9.9
85.06528	4.0
86.09702	2.6
88.77743	1.3
91.03995	1.4
91.05479	37.9
93.07043	74.8
95.04975	13.1
95.08611	37.7
97.02879	9.3
97.06520	10.3
97.10168	3.6
99.08096	3.0
103.05441	1.9
105.04549	2.1
105.07036	28.8
107.04957	13.5
107.08594	34.8
109.02847	2.8
109.06527	4.8
109.10160	21.0
111.04445	12.8
111.08119	6.4
113.06027	1.2
117.07023	15.1
119.08575	20.7
121.06516	3.9
121.10144	35.9
123.08043	7.3
123.11697	4.7
125.09629	5.6
127.03889	1.2
129.07004	5.3
130.07796	2.1
131.08574	15.9
133.10129	16.1
135.08054	5.5
135.10696	2.4
135.11694	32.6
136.06172	2.6
137.09581	5.5
139.11150	2.1
141.06993	1.8
142.07707	1.3
143.08527	3.3
145.06500	1.7
145.10135	24.1
147.08005	4.1
147.11655	8.2
149.02357	2.3
149.09657	3.5
149.13246	7.5
151.11192	1.4
153.12746	13.4
155.08553	3.6
157.10095	3.1
159.11691	7.8
161.09659	1.5
162.07826	1.7
163.11182	29.7
169.10127	1.5
173.09602	7.8
173.11853	2.4
173.13152	6.3
181.12257	8.2
184.07352	6.3
185.13268	2.0
187.14798	1.9
191.10703	8.9
209.11743	25.8
213.16469	1.6
215.17953	17.6
219.13875	1.4
227.12810	14.5
231.17545	1.6
233.18994	16.9
265.14328	4.9
283.15399	30.6
294.07367	1.7
301.16458	53.1
305.21252	1.8
307.22678	100.0
308.23074	3.4
313.27301	1.6
405.28012	2.4
423.28748	4.5
441.29849	3.8
497.32388	7.5
515.33655	50.4
516.33661	1.9
533.34698	74.2
534.34821	2.5
659.82324	1.5
730.41138	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	729.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	4.4
53.03942	10.1
54.29713	3.9
55.01871	8.2
55.05516	29.0
57.03432	16.5
57.07074	5.0
58.71835	3.7
58.90834	3.4
67.05511	100.0
69.03445	25.9
69.07076	29.7
70.80792	3.8
70.81149	11.1
71.04993	6.8
71.08630	5.3
79.05160	2.6
79.05495	93.7
81.03414	16.2
81.07059	95.3
83.05010	8.8
83.08611	13.6
85.02927	5.4
85.06564	6.6
85.10206	5.4
91.05484	76.4
93.07044	82.4
95.04968	17.1
95.08609	64.9
97.02920	4.1
97.06512	10.3
99.04479	6.8
105.04536	6.2
105.07038	52.1
107.04958	5.7
107.08601	41.0
109.02889	7.6
109.06518	11.3
109.10161	26.5
111.04382	4.2
115.05461	4.6
117.07005	19.8
119.08577	32.8
121.06495	7.5
121.10151	36.0
123.11742	7.9
125.09669	4.4
128.06253	7.3
129.05434	4.0
129.06989	21.8
131.08571	30.6
133.06497	6.1
133.10150	26.9
135.08081	7.6
135.11731	19.3
137.09673	6.6
143.08560	15.9
145.06561	5.0
145.10147	28.2
147.08026	5.6
147.11726	23.0
149.09694	7.1
149.13274	9.8
151.07555	4.0
155.08614	5.2
157.10149	5.7
159.11716	21.7
161.09694	5.4
161.13300	13.5
163.11240	4.3
169.10121	7.8
171.11655	10.3
173.13293	8.4
175.11177	5.7
179.18335	3.7
183.11617	7.3
184.07436	9.4
185.13249	9.2
187.14809	4.8
199.14822	5.1
207.11716	6.4
209.13312	5.2
209.47287	3.8
213.16356	6.1
215.17949	7.5
233.18970	5.5
261.22128	5.5
277.21811	4.6
307.22754	22.1
329.09369	4.0
335.25858	16.5
341.21347	4.7
345.24271	6.7
351.22937	5.1
369.24231	13.2
433.25592	5.4
461.28973	6.0
464.35385	4.3
479.30432	4.3
505.39511	4.5
537.84766	3.8
600.50079	9.1
631.48523	5.6
714.46790	4.5
729.48785	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	729.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.9
53.03938	10.0
55.01864	2.7
55.05511	23.9
57.03439	10.6
57.07056	4.9
59.04997	14.8
60.77581	1.3
63.77649	1.2
65.03924	4.5
67.05507	100.0
68.05824	1.9
69.03437	16.8
69.07071	17.9
70.95605	2.3
71.04990	7.3
71.08612	1.7
76.34605	1.4
77.03937	2.1
78.10802	1.2
79.05496	90.8
80.05813	1.5
81.02991	1.5
81.03425	16.9
81.07058	93.8
81.73649	1.3
83.04978	4.8
83.08627	10.9
85.02901	14.4
85.06533	2.8
86.57471	1.6
89.06045	1.9
91.04907	2.6
91.05482	54.7
93.07047	93.7
94.07392	1.4
95.04971	11.3
95.08611	63.6
97.02901	9.7
97.06514	5.3
97.10162	5.1
99.04468	6.3
99.08080	4.1
103.03939	5.7
103.05463	2.9
105.04514	4.1
105.07040	36.5
107.04952	4.3
107.08599	40.4
109.02886	6.5
109.06496	3.9
109.10156	26.6
111.04457	3.2
111.08073	3.0
113.00035	2.3
115.05419	2.0
117.07018	13.0
117.09121	1.6
119.08583	30.6
121.10147	47.5
123.08062	3.0
123.11708	10.6
125.09595	3.4
127.03919	7.4
129.05516	2.2
129.06969	5.6
130.07796	1.8
131.08572	22.5
133.06477	2.0
133.10136	22.1
135.08058	3.0
135.11691	26.3
137.06001	3.3
137.09592	5.1
137.13255	2.4
139.11176	1.8
141.06992	1.8
143.08557	3.4
145.06525	1.5
145.10126	19.2
147.11670	12.9
149.09639	2.2
149.13245	16.9
151.14828	2.5
155.08528	1.6
157.10115	4.3
159.11703	15.2
161.09650	1.6
161.13286	9.3
163.14879	6.2
169.10181	1.3
171.11687	3.6
173.13315	9.6
175.14754	2.0
177.12769	2.2
183.06551	6.6
183.11728	2.1
184.07399	3.6
185.13298	3.3
187.14844	5.5
189.16432	1.8
197.13292	1.4
201.16267	2.1
213.16367	1.9
215.17957	8.9
227.18031	1.5
229.12280	1.6
233.19011	3.8
243.21025	5.2
259.20639	3.3
261.22144	16.3
267.26294	1.3
273.18835	1.6
275.19891	1.3
303.23227	2.2
307.22656	48.7
335.22058	4.2
335.25842	5.8
337.27075	1.4
350.93506	1.4
363.25113	1.4
369.24161	2.8
404.19272	1.6
405.26282	2.8
451.26746	3.0
567.43781	2.9
574.48578	2.5
600.50861	10.2
617.43488	1.7
729.48621	4.9
758.47369	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	728.5224
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45708	0.3
55.05503	0.9
56.05019	0.6
57.07067	0.5
58.06605	0.6
58.58022	0.4
59.05010	1.9
60.07891	0.4
60.08166	6.3
67.05513	3.0
69.07056	1.3
69.23415	0.3
70.06592	0.4
71.07381	3.1
71.17809	0.7
79.05480	1.1
81.07044	1.8
83.08622	0.6
86.09708	28.4
87.04450	1.3
89.06044	0.4
91.05491	0.5
93.07030	1.0
93.15983	0.3
95.08618	1.6
98.98465	2.9
104.07123	1.6
104.10764	1.7
105.07030	0.5
107.08585	0.4
109.10120	0.8
112.99996	0.5
117.09122	0.7
121.06641	0.3
125.00010	21.0
126.25944	0.3
133.10094	0.3
184.07344	100.0
185.07547	0.4
288.13440	0.4
528.57349	0.4
573.48267	0.9
599.50458	3.9
603.17029	0.4
616.49231	0.5
728.51990	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	728.4502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.2
54.01067	0.1
55.05503	0.5
56.05036	0.7
58.06643	0.4
58.75378	0.1
59.04999	0.5
59.07387	0.1
60.08168	6.0
65.45435	0.1
67.05511	1.3
68.12587	0.1
69.07065	0.5
70.06581	0.3
70.47763	0.1
70.48090	0.3
71.07378	3.9
79.05505	1.1
81.03417	0.3
81.07066	1.4
83.08635	0.2
84.04544	0.1
85.02903	0.1
86.09710	30.3
91.05473	0.8
93.07030	1.0
95.04949	0.1
95.08614	1.1
97.06525	0.2
98.98470	4.3
104.10744	2.5
105.07058	0.6
106.07324	0.1
107.08596	0.7
109.10174	0.6
111.08056	0.1
116.07075	0.2
117.06988	0.2
119.08604	0.6
121.10157	0.5
123.11698	0.1
125.00012	22.1
130.94806	0.1
131.08571	0.2
133.08667	0.1
133.10124	0.3
135.11716	0.4
137.09607	0.1
143.01053	0.2
145.10115	0.3
147.11693	0.1
149.13278	0.2
153.12709	0.1
157.10172	0.2
159.11713	0.1
161.13304	0.1
163.11153	0.2
166.02589	0.1
171.11777	0.2
173.13289	0.1
182.66624	0.1
184.07350	100.0
185.07700	0.5
187.14825	0.2
213.16518	0.2
218.58521	0.1
227.12798	0.3
233.18970	0.1
271.15445	0.3
299.14954	0.2
307.22702	0.2
335.25934	0.4
466.21967	0.3
531.35602	0.2
537.89545	0.1
545.37781	0.2
573.56042	0.2
728.44946	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	728.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	3.4
53.03946	3.7
55.01871	3.8
55.05516	22.8
57.03162	0.7
57.03438	13.0
57.07071	2.0
61.02926	5.3
65.03938	2.2
67.05510	47.6
69.03429	3.1
69.06731	0.7
69.07069	8.5
69.98473	1.3
69.98862	1.3
71.01344	1.1
71.04993	3.1
73.02901	2.2
77.03894	1.3
79.05499	43.4
80.05831	0.7
81.03418	4.4
81.07062	43.5
83.04988	3.7
83.08163	0.8
83.08626	14.5
85.02914	5.3
85.06549	4.7
86.09695	1.0
91.03951	1.9
91.05486	34.9
93.07050	56.0
94.07385	0.9
95.04959	6.2
95.08614	26.5
97.02905	4.8
97.06535	4.5
97.10163	2.6
99.00202	1.2
99.00826	19.0
99.01467	1.0
99.04442	1.3
99.08089	4.0
101.02362	0.9
103.05435	1.2
105.04527	1.3
105.07041	22.1
105.48463	0.6
107.04961	5.5
107.08603	20.4
109.02887	8.7
109.06516	3.4
109.09470	1.0
109.10168	13.5
111.04446	1.0
111.08087	6.0
113.06014	0.6
113.09643	1.3
115.03925	2.2
115.05452	0.6
117.07033	7.7
119.07816	1.0
119.08596	15.1
121.06504	6.8
121.10150	22.3
123.04418	1.7
123.08116	1.6
123.11703	6.9
125.09609	1.7
127.03910	2.3
128.06224	1.8
129.07022	1.8
129.49046	0.6
131.08580	11.0
133.06497	2.2
133.10138	40.7
135.08031	2.3
135.10703	1.1
135.11705	18.6
137.05972	1.6
137.09645	2.9
137.13287	1.4
139.07527	3.1
143.08582	4.6
145.10126	8.4
147.08064	1.0
147.11691	6.0
149.09625	2.1
149.13268	8.3
151.11206	12.7
151.85390	0.6
159.11673	6.7
161.09637	19.0
161.13260	2.1
163.11177	2.0
165.09138	1.1
171.08073	2.7
171.11702	1.3
173.13292	6.5
175.14818	1.5
177.12779	1.1
179.10675	9.2
180.08553	0.6
184.07362	1.1
187.14841	1.7
189.09131	8.4
189.16426	0.9
197.11813	3.2
205.19493	2.9
207.10199	3.8
215.17961	23.6
225.11223	13.7
227.12727	1.2
233.19026	22.2
234.19513	0.8
243.12401	3.2
249.18417	0.7
281.13870	2.5
289.21603	1.7
299.14905	97.8
300.15295	2.5
305.21265	1.0
307.22690	100.0
308.23004	2.2
385.31683	0.7
393.27878	0.9
411.28873	1.2
421.27209	1.7
439.28247	3.8
457.29471	1.9
485.32761	1.6
487.33786	1.2
503.33722	1.0
513.32275	5.3
531.33215	47.1
532.33246	2.5
549.34094	1.4
571.21661	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.9
55.01862	3.1
55.05519	14.1
57.03431	2.2
57.07076	2.2
60.45458	1.0
63.91615	1.1
65.03947	2.7
67.05507	34.6
69.03435	7.6
69.07075	12.6
71.04997	1.9
72.62066	1.2
79.05499	31.9
81.03415	12.6
81.07060	100.0
83.04981	3.4
83.08630	7.7
85.02887	4.7
85.06530	1.8
91.04910	1.5
91.05484	27.0
93.07046	51.5
95.04955	7.7
95.08611	73.0
97.02872	4.2
97.06527	3.6
97.10137	3.8
99.04434	1.6
105.07031	31.9
106.07379	1.1
107.04948	1.9
107.08590	35.0
109.02863	2.7
109.06527	9.6
109.10160	28.3
111.04489	1.1
111.08078	5.2
111.11684	1.5
117.07011	9.5
119.08588	25.2
121.10147	29.3
123.08066	4.2
123.11722	8.4
125.09647	2.0
127.03925	2.9
128.06166	1.9
129.07024	6.0
130.07805	1.5
131.08571	17.0
133.06471	1.3
133.10146	17.6
135.08073	2.6
135.11708	14.0
137.09618	3.5
137.13271	2.7
139.11214	1.8
142.07793	1.6
143.08565	7.3
145.10127	16.7
147.11696	11.9
149.09613	1.8
149.13251	17.1
151.11200	5.2
155.08524	2.4
157.10155	6.8
158.80640	1.1
159.11699	14.8
161.13249	10.1
163.11223	2.2
163.14807	9.1
169.10114	2.1
171.11690	6.4
173.13232	11.3
175.11264	1.5
175.14873	5.9
176.90199	1.1
177.12610	2.2
177.16406	5.1
183.11618	3.5
185.13245	5.9
187.14787	10.3
189.12779	1.6
189.16415	2.7
193.15952	1.2
199.14845	5.1
201.16399	6.3
203.17932	3.2
205.15941	11.3
213.16402	8.4
217.15935	1.4
221.94002	1.2
225.16335	1.3
227.17891	2.2
229.19516	1.4
243.21185	1.9
261.22351	2.5
269.22672	18.4
287.23718	14.1
303.23169	2.2
305.24835	1.4
369.24152	1.6
387.25369	3.3
405.26532	1.8
431.17255	1.3
463.61728	1.2
512.31989	1.3
560.24951	1.2
608.25238	1.8
636.17688	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	727.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.3
53.03961	7.1
55.01868	4.8
55.05515	21.4
57.03431	3.9
57.07066	4.6
59.04993	4.4
62.67710	1.1
65.03940	4.6
67.05509	65.2
68.05835	1.0
69.03431	12.1
69.06731	1.7
69.07074	24.1
71.04983	3.3
71.08627	2.2
72.47683	1.4
77.03924	1.5
79.05498	44.9
81.03426	13.2
81.07063	100.0
83.04967	6.3
83.08619	9.5
85.02901	8.2
85.06551	3.8
90.84272	1.2
91.05490	37.4
93.07049	71.2
94.07335	1.4
95.04971	10.6
95.08611	62.5
97.02920	6.8
97.06517	7.2
97.10171	3.8
99.04451	2.0
99.08079	2.6
103.05476	2.3
104.10828	1.2
105.04480	2.1
105.07038	58.1
106.07410	1.2
107.04964	2.2
107.08602	68.0
108.08939	1.3
109.02882	4.1
109.06515	6.8
109.10165	72.7
111.04449	1.6
111.08103	5.0
111.11720	2.5
115.05398	1.5
117.07013	13.1
119.08591	66.1
120.08932	1.6
121.06507	3.0
121.10148	31.9
123.08062	3.7
123.11716	12.3
125.09619	5.9
127.03925	4.1
128.06241	3.3
129.06978	8.4
130.07782	2.3
131.08580	25.6
133.10146	32.7
135.08107	1.6
135.11700	50.6
137.09621	6.2
137.13235	5.5
139.11171	4.7
141.07010	2.0
142.07771	8.8
143.08572	16.1
144.09328	4.6
145.10129	39.6
147.11685	23.4
149.09605	2.2
149.13269	16.8
151.11215	3.0
151.14912	1.6
153.07048	1.6
155.08549	3.1
156.09346	3.7
157.10141	28.4
158.10982	1.7
159.11702	42.3
160.12035	1.6
161.09622	1.8
161.13290	14.9
163.11171	2.6
163.14813	6.2
165.12752	6.6
169.10136	5.0
171.11707	19.5
173.13271	18.9
175.11134	3.3
175.14838	12.2
177.12752	3.0
177.16386	4.3
179.14229	2.2
181.10071	1.7
183.11655	2.8
184.07393	2.1
185.13269	11.9
187.14838	12.4
189.12822	1.4
189.16409	5.1
191.14322	1.9
193.10210	1.4
193.15807	2.7
195.92087	1.1
197.09657	1.4
197.13223	2.6
199.14838	12.9
201.16406	8.2
203.17957	3.7
205.15807	2.9
209.13269	1.9
211.14859	3.0
213.16403	43.2
215.17938	2.7
217.15854	2.3
219.17482	4.3
223.14920	1.1
227.17950	6.0
229.19527	5.9
231.17462	1.7
243.21107	1.7
253.19456	1.6
261.22177	2.0
269.22635	28.3
271.14856	1.1
287.23737	12.1
305.24942	2.0
369.24548	1.7
387.24966	1.9
691.48383	2.2
709.49817	1.6
727.50159	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	727.28
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05005	0.7
67.05498	1.9
69.07065	0.8
70.30833	1.2
72.47412	0.4
79.05495	1.5
81.07056	1.7
83.08627	0.5
91.05473	0.8
93.07050	1.5
94.35659	0.4
95.08640	1.3
105.07041	1.3
107.08599	1.2
109.10170	1.0
117.07012	0.4
119.08614	0.6
121.10156	0.7
131.08591	0.6
135.11748	0.4
145.10144	0.5
147.11734	0.5
159.11649	0.4
162.90544	0.4
171.11760	0.4
184.07410	0.4
185.19858	0.4
225.13841	0.9
237.13991	0.7
249.13921	0.6
269.17575	0.5
309.12341	0.5
335.26007	0.5
415.19748	0.6
416.20444	0.5
417.21002	0.5
429.17007	1.2
430.17261	0.6
431.22864	0.8
431.68652	0.4
433.14963	0.6
433.24149	0.8
434.15878	0.5
435.16718	0.6
443.18765	1.6
443.23602	0.6
444.19525	1.6
445.20370	1.2
446.20694	0.5
449.18066	1.2
457.20462	1.0
458.20444	2.5
459.21805	18.0
460.22314	2.2
461.13663	2.3
461.23758	0.8
462.15158	1.2
463.19754	1.5
464.20377	0.6
467.37390	0.7
471.22321	0.7
472.22873	0.5
473.23529	0.9
475.15927	1.7
475.21835	0.5
476.16232	2.5
477.17111	2.7
485.23492	0.5
489.17627	0.5
490.18509	1.5
491.19009	10.8
492.19675	2.6
500.56152	0.4
503.19800	0.8
505.20511	1.0
518.23022	2.5
519.24335	2.4
523.21637	0.5
531.24286	1.3
535.21625	0.7
537.22870	1.2
545.25824	4.0
546.26196	0.8
547.18927	0.7
547.27002	5.1
551.21136	29.2
552.21692	1.6
562.11639	0.4
563.20868	3.0
564.21838	0.5
573.24951	0.4
574.26245	0.7
577.22339	3.3
578.23468	2.2
579.24316	1.4
591.26227	1.1
606.28491	6.2
621.25623	0.5
623.23218	5.0
637.24768	1.0
638.25525	0.7
667.26080	6.3
695.24805	0.7
727.27972	100.0
728.28229	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	725.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.3
53.03957	7.2
55.01868	4.6
55.05513	17.3
57.03434	3.8
57.07064	3.2
59.05001	7.5
60.94004	1.3
65.03928	2.7
66.36317	1.2
67.05508	40.0
69.03432	14.7
69.07072	9.9
69.94196	2.5
69.94610	3.7
71.05000	2.9
71.08640	1.4
78.60580	1.2
79.05499	47.5
81.03425	18.8
81.07062	100.0
82.07395	1.8
83.04968	4.5
83.08624	9.3
85.02915	8.0
87.04493	1.6
91.05489	35.7
93.07052	59.8
95.04983	6.5
95.08614	46.4
97.02901	9.3
97.06516	4.5
97.10155	3.3
99.04463	3.0
99.08078	1.5
103.05445	1.4
105.04527	2.4
105.07043	45.4
107.08601	29.7
108.39007	1.2
109.02881	5.6
109.06534	11.9
109.10158	21.4
111.04440	2.0
111.08098	6.6
115.05449	2.9
117.07031	9.9
119.08591	37.5
121.06515	3.4
121.10168	19.6
123.08102	3.8
123.11701	4.1
127.03914	5.4
128.06215	3.1
129.07018	10.1
131.08582	25.4
133.06508	1.9
133.10141	30.9
135.08049	2.7
135.11699	38.2
137.09616	4.4
137.13275	2.4
141.06976	3.1
142.07782	3.1
143.08571	13.8
144.09386	1.7
145.10133	20.4
147.04434	1.8
147.08052	4.1
147.11716	18.8
149.09599	3.4
149.13255	9.9
151.11198	9.0
155.08560	5.4
156.09299	1.8
157.10164	11.8
159.11705	15.1
161.09583	3.3
161.13292	9.6
163.11145	2.4
163.14792	4.4
167.08585	2.1
169.10126	4.8
171.11674	9.8
173.09624	2.9
173.13246	8.6
175.11185	1.9
175.14825	22.0
177.12715	4.1
179.14363	1.4
183.11710	5.9
184.07289	2.4
185.09485	1.3
185.13289	9.4
187.11095	1.7
187.14940	9.0
189.12779	9.4
189.16379	2.0
191.14326	5.6
193.15941	7.4
194.97540	1.4
195.11763	1.7
197.13240	7.0
199.14868	10.5
201.12811	1.5
201.16379	6.9
203.14326	6.8
204.15114	12.4
205.15857	3.4
207.14038	1.4
209.15253	1.3
211.14789	5.6
213.16376	2.3
215.14374	2.0
215.17940	2.7
217.15869	6.6
221.15341	3.6
225.16391	4.5
227.17979	9.7
229.15944	1.9
229.19466	4.8
241.19507	2.1
245.19014	15.8
257.22607	1.5
259.20566	1.9
261.22141	4.1
267.21085	19.1
269.22589	2.4
273.22095	2.7
277.21786	1.4
285.22162	16.2
289.21518	1.3
300.19489	1.2
301.21759	1.3
303.23209	27.8
369.24518	1.3
405.26334	1.9
627.45972	2.8
683.27655	2.2
707.47852	1.5
725.31818	2.4
725.46350	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	724.4763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.3
55.05510	0.5
56.05036	0.7
57.03426	0.3
58.06631	0.6
59.05010	1.0
60.08169	5.8
65.57966	0.2
67.05510	1.8
67.57468	0.2
69.03456	0.2
69.07061	0.5
70.06603	0.4
71.07376	3.3
71.51138	0.3
79.05505	1.0
81.03423	0.5
81.07056	1.2
82.07407	0.2
85.13586	0.2
86.09711	30.2
87.04454	0.3
91.05477	0.7
93.07049	0.9
95.05005	0.3
95.08620	0.8
97.02871	0.4
97.06554	0.3
97.10187	0.3
98.98467	3.2
104.10753	2.1
105.07032	0.5
107.08588	0.6
109.10156	0.4
110.03189	0.2
117.07018	0.3
119.08601	0.6
121.06485	0.2
121.10181	0.4
125.00014	19.6
129.07008	0.3
131.08492	0.4
133.10141	0.4
135.11705	0.2
145.10135	0.3
157.10265	0.2
161.09422	0.2
163.11180	0.2
184.07353	100.0
185.07735	1.1
209.11766	0.2
233.19250	0.2
286.91962	0.2
507.08618	0.2
527.20789	0.2
619.25116	0.3
688.34589	0.3
688.45477	4.7
689.45184	0.2
712.85834	0.2
724.47803	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.5
55.01888	9.0
55.05503	5.7
57.03432	7.1
57.07058	1.9
65.03937	3.2
67.05511	46.2
69.07063	7.7
69.24401	3.3
69.24812	11.1
70.06562	2.1
71.05002	4.2
72.08157	1.9
78.81800	1.7
79.05497	46.5
81.03424	14.4
81.07068	34.7
83.04986	21.1
83.08615	4.4
84.08147	2.2
85.02890	3.1
85.06550	6.6
86.09688	1.8
91.05484	24.1
93.07050	41.3
95.01331	4.8
95.04972	19.9
95.08615	13.8
97.02910	2.4
97.06538	14.7
99.04452	2.5
105.07056	11.0
107.04961	54.5
107.08595	24.1
109.02831	1.8
109.06525	5.2
109.10172	4.9
111.04451	28.7
111.08099	5.6
117.07025	15.1
119.08599	14.7
121.06513	6.6
121.09335	2.7
121.10149	40.3
123.04455	2.3
123.08087	2.0
125.05985	2.7
129.07002	5.0
130.07788	3.3
131.04959	3.8
131.08589	10.9
133.10136	4.6
135.08073	3.8
135.11703	42.0
145.06491	12.9
145.10136	50.8
147.08031	3.6
149.09642	7.1
153.12744	12.3
155.08563	14.6
163.11192	63.1
163.12558	3.6
166.12646	1.6
173.09650	35.6
178.30643	1.8
181.12247	18.6
191.10692	24.3
209.11725	16.2
227.12798	20.9
265.14368	100.0
266.14603	1.9
283.15408	61.0
287.24289	1.6
301.16476	66.4
302.16824	2.4
427.24680	1.9
445.25946	3.6
473.25461	26.0
491.26413	47.6
492.26871	2.0
509.27475	26.5
527.28619	69.9
528.29022	3.3
551.02240	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	721.5406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.3
55.01889	2.3
55.05517	17.5
57.03434	5.3
57.07089	3.6
58.06607	2.2
59.04996	3.8
59.06148	2.8
61.02928	7.2
65.03954	4.6
66.02586	2.1
67.05511	51.7
69.03438	22.6
69.07073	32.8
71.05018	2.9
71.08636	2.5
71.10159	5.7
78.96432	2.3
79.05503	27.2
81.03423	9.8
81.07066	94.2
83.04949	3.0
83.08614	15.2
83.31592	2.1
84.64934	2.0
85.02915	45.8
86.09704	10.1
87.04453	5.4
88.06546	2.1
91.05489	35.8
93.07052	71.3
95.04976	6.6
95.08618	100.0
97.02898	13.6
97.06513	2.8
97.10168	9.3
103.30318	2.1
105.07040	56.6
107.08604	83.3
109.02890	5.2
109.10165	74.3
111.11727	3.6
117.07021	7.7
119.08591	56.7
121.10162	48.5
123.11720	26.0
125.00013	5.7
127.03931	12.4
128.51256	2.1
131.08585	25.8
133.10138	32.0
135.11719	34.3
137.13257	10.8
142.07721	2.5
143.08554	11.3
144.09349	2.7
145.04950	5.2
145.10147	28.1
147.11711	35.7
149.09651	2.4
149.13277	32.5
151.14865	2.5
155.08580	4.4
156.09421	3.2
157.10127	18.6
158.11020	2.5
159.11717	35.0
161.13292	30.9
163.14848	14.6
169.10159	8.9
171.11717	16.4
173.13257	23.8
175.14873	18.8
177.16393	7.7
181.10191	2.5
183.11731	8.3
184.07321	25.4
185.13300	15.8
187.14809	16.9
189.16379	20.4
191.17915	2.7
195.11734	3.3
197.13324	6.4
199.14845	14.3
201.16452	15.1
203.18025	14.4
209.13217	4.0
211.14847	10.0
213.16434	13.0
215.18013	13.1
217.19600	9.9
223.14926	3.6
225.16409	6.8
227.17995	6.5
228.23204	2.4
229.19585	6.7
231.21213	2.7
237.16368	3.0
239.17841	3.7
241.19576	6.5
243.21133	7.5
245.22708	3.2
253.19481	3.4
255.21111	8.2
257.22675	6.9
267.21130	6.5
269.22748	10.5
271.24228	6.7
281.22742	6.1
283.24258	7.1
295.24240	6.0
297.25885	3.0
323.27243	3.8
325.28934	4.0
337.28851	5.5
349.29095	2.5
351.30524	3.5
363.30481	2.5
393.35400	2.8
405.35031	2.4
409.96912	2.4
419.36716	3.2
459.39722	2.1
485.41733	2.8
501.44687	2.4
541.47772	46.6
559.48706	11.6
609.44574	2.8
703.52484	4.8
721.54047	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.5403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00169	1.8
53.03947	9.2
55.01873	3.0
55.05517	19.6
57.03439	4.1
57.07076	5.1
61.02926	4.4
65.03939	2.1
67.05181	3.0
67.05512	41.2
67.23525	1.8
67.54451	2.3
69.03438	20.6
69.07068	29.0
71.04992	2.7
71.05231	2.0
71.05576	4.0
76.58244	1.8
79.05502	31.4
81.03432	10.7
81.07063	100.0
83.08628	12.6
85.02912	44.9
85.10151	1.8
87.04497	3.3
89.00055	1.8
91.03954	2.4
91.05488	31.2
93.07053	79.8
95.04987	3.4
95.08614	93.7
97.02900	17.2
97.10178	8.5
99.04464	3.8
100.50000	1.6
103.05512	2.7
104.43816	2.2
104.69157	2.0
105.04516	2.0
105.07040	55.8
107.08602	96.4
109.02867	4.6
109.10170	81.9
111.11722	8.0
117.07041	8.7
118.09965	1.9
119.08590	55.8
121.10153	53.8
123.11719	31.2
127.03926	8.0
128.06245	2.6
129.07001	5.2
131.08598	19.1
133.10144	33.7
133.13860	1.7
135.11696	40.9
137.13257	8.1
141.06949	2.8
142.07764	3.4
142.69675	1.9
143.08549	13.5
144.09373	3.5
145.05019	8.5
145.10130	37.2
147.11707	36.7
149.13258	33.9
151.14851	3.7
155.08607	5.6
156.09346	1.9
157.10141	22.4
158.10945	2.9
159.11707	34.9
159.12901	3.3
161.13274	31.8
163.14848	18.9
167.08603	2.2
169.10179	5.9
171.11659	15.4
173.13266	30.6
175.14857	23.1
177.16365	12.6
180.00279	1.9
183.11722	7.4
185.13278	12.3
187.14876	16.3
188.15468	1.8
189.16385	17.2
191.18040	4.9
195.11699	3.1
197.13268	7.5
199.14925	10.6
201.16379	17.0
203.17932	13.1
205.19533	2.9
209.13310	3.3
211.14857	7.9
212.15305	2.1
213.16457	12.5
215.17982	18.4
217.19525	9.3
223.14941	1.8
225.16460	8.8
227.17891	9.8
229.19534	8.8
231.21017	2.5
239.17940	6.0
239.89455	1.8
241.19565	8.5
243.21094	9.4
245.22655	2.9
251.17969	2.5
253.19466	2.2
255.21117	10.6
257.22687	7.1
265.19653	2.2
267.21240	6.1
269.22717	14.0
271.24210	6.0
281.22726	5.5
283.24084	9.3
285.25836	3.2
293.22580	3.9
297.25702	3.9
309.25693	3.1
311.27472	3.3
323.27344	3.1
325.29053	4.4
335.27411	4.2
337.28961	4.3
339.30591	2.4
349.29138	2.4
351.30350	5.0
363.30658	3.0
365.32074	2.2
391.33405	3.0
393.35187	4.7
414.84503	2.2
419.36938	4.3
459.39453	2.3
473.41431	3.5
485.40872	2.3
512.07837	2.0
541.47729	51.3
542.48035	3.6
559.48767	18.2
703.52850	3.7
721.54059	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.5405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.6
53.03959	11.0
55.01882	2.7
55.05515	21.0
57.03429	4.2
57.07076	4.5
57.60722	2.2
61.02935	5.6
65.03954	4.0
67.05514	42.1
69.03441	18.5
69.06730	2.9
69.07076	28.5
71.08527	3.0
73.02934	2.8
79.05504	31.5
81.03423	10.2
81.07064	93.6
83.04967	3.2
83.08623	9.3
85.02918	45.0
87.04459	3.8
91.05486	35.7
93.07053	76.1
94.82009	1.9
95.04985	4.4
95.08617	100.0
97.02889	15.8
97.10176	8.3
99.04475	4.2
105.04568	2.5
105.07043	57.5
107.08611	79.8
109.02901	4.1
109.06569	3.4
109.10172	72.2
111.11720	4.8
117.07053	8.8
119.08591	57.6
121.10162	51.7
123.11710	31.1
127.03960	6.3
129.06985	5.3
130.67560	2.5
131.08591	19.0
133.10150	41.0
135.11728	35.6
137.13292	9.9
141.06947	2.2
142.07713	3.0
143.08607	11.7
144.09344	2.9
145.04982	8.1
145.10135	32.7
147.11713	36.4
149.13277	35.7
156.09406	2.2
157.10146	20.3
158.10870	3.6
159.11708	37.5
161.13278	29.1
163.14824	20.4
169.10112	5.7
171.11752	16.9
172.12337	2.0
173.13260	25.8
175.14845	19.7
177.16420	11.0
183.11729	7.1
185.13245	13.5
187.14844	17.2
189.16408	15.8
190.29288	2.1
191.17987	4.6
195.11711	2.2
197.13303	8.7
199.14848	14.6
201.16435	16.3
203.18007	16.6
205.19496	3.2
209.13261	3.9
211.14835	7.8
213.16351	14.4
215.17970	14.5
217.19594	9.5
223.14958	3.3
225.16364	6.3
227.18007	8.9
229.19627	10.0
239.17989	2.7
241.19582	7.5
243.21078	8.3
245.22691	3.3
251.18088	2.8
253.19589	2.9
255.21225	7.3
257.22717	7.6
259.23911	2.0
267.21045	5.0
269.22662	9.8
271.24216	7.2
281.22623	4.9
283.24249	9.3
285.25912	2.3
295.24197	4.5
297.25751	7.9
309.25656	3.1
321.25482	2.3
323.08237	2.9
323.27341	6.1
325.28857	4.9
335.27365	3.4
337.29022	3.3
351.30560	4.7
365.32043	4.0
391.33456	4.6
393.35046	2.3
417.35379	3.4
419.37112	4.0
431.36847	3.0
433.38345	3.2
473.41354	2.7
541.47797	44.8
542.47845	2.3
559.49005	19.6
674.30975	2.2
703.52612	3.3
721.54321	29.3
722.54169	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	721.54
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.7
55.01861	2.0
55.05511	19.7
57.03436	7.3
57.07064	3.3
59.04954	2.3
61.02925	5.3
65.03922	4.3
67.05507	46.8
67.77617	2.0
69.03435	18.0
69.07069	27.8
70.06584	6.9
71.04976	2.7
73.02911	4.1
79.05496	32.4
81.03426	8.0
81.07059	100.0
82.07394	2.9
83.08630	10.8
85.02905	37.4
86.09722	3.6
87.04465	3.0
91.05488	33.4
93.07050	67.9
95.04946	2.6
95.08612	92.3
95.67380	2.0
97.02885	16.4
97.06551	2.2
97.10159	7.8
98.20793	4.1
105.07033	53.3
107.08601	78.6
109.02891	6.8
109.10162	70.0
111.11716	4.0
111.49916	1.9
117.07053	4.9
117.68536	1.9
119.08590	55.1
121.09328	4.0
121.10152	55.0
122.10482	2.9
123.11716	28.5
127.03908	10.1
128.06250	2.2
129.07010	5.4
131.08574	14.8
133.10138	35.1
135.11688	33.6
137.13263	8.8
141.06972	2.3
143.08588	10.6
144.09341	5.0
145.04955	8.0
145.10121	29.4
146.10608	2.1
147.11711	31.9
149.13261	35.7
151.14796	2.4
155.08594	5.4
156.09319	3.5
157.10123	15.3
159.11705	34.6
161.09584	2.2
161.13252	28.4
163.14835	16.5
169.10185	7.0
171.11650	14.2
173.13242	23.9
175.14832	22.4
177.16440	13.5
183.11676	7.2
185.13246	13.8
187.14812	17.9
187.45593	2.3
189.16386	14.5
191.17950	4.1
197.13271	8.2
199.02271	1.9
199.14876	12.7
201.16393	16.2
203.17976	13.2
205.19685	2.3
207.80797	1.9
209.13213	2.8
211.14848	7.7
213.16380	13.5
215.17953	15.2
217.19582	7.1
225.16397	5.8
227.17993	8.9
228.96065	2.4
229.19585	4.8
231.21147	2.8
239.17955	4.1
241.19545	7.5
243.21115	8.6
253.19519	3.0
255.21115	6.1
257.22791	4.8
264.30719	2.3
267.20987	4.4
269.22519	11.3
271.24200	7.7
277.20200	2.1
281.22629	7.0
283.24268	8.1
285.25891	2.6
285.96344	2.2
295.23959	5.1
297.25815	5.0
323.27341	3.8
325.28842	4.0
337.29059	4.0
351.30432	3.3
365.32016	2.5
403.33542	2.4
419.36746	4.2
473.41656	3.1
541.40228	3.0
541.47760	43.5
559.48468	12.1
703.52820	4.3
721.53986	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.5402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
55.01877	2.6
55.05518	21.2
57.03434	8.1
57.07084	5.2
59.05004	13.1
61.02919	7.1
65.03940	6.1
67.05509	44.1
69.03440	17.4
69.07068	32.8
70.57254	5.6
71.05003	2.9
77.03340	2.7
79.05498	34.9
81.03420	10.2
81.06590	5.0
81.07059	100.0
82.41401	2.6
83.08609	11.5
85.02912	48.1
86.09714	6.1
87.04465	7.0
91.03982	2.5
91.05486	29.9
93.07047	66.0
95.04980	3.4
95.08612	98.8
97.02889	16.3
97.10164	10.1
99.04446	4.8
103.05446	3.2
105.07031	52.4
107.08599	78.7
109.02906	5.6
109.06519	4.0
109.10159	68.8
111.11795	2.6
117.07030	8.5
119.07809	2.4
119.08591	54.9
121.10149	54.9
123.11707	27.1
125.00016	4.0
127.03910	10.4
129.06938	4.0
130.07834	2.7
131.08577	16.3
133.10124	32.8
135.11691	36.0
137.13248	7.5
143.08553	13.7
144.09326	3.2
145.04962	7.0
145.10115	29.4
147.11696	38.0
149.13284	27.9
149.78523	2.3
155.08559	4.9
156.09357	4.1
156.98276	2.4
157.10159	19.9
159.11676	32.7
161.13237	26.6
163.14856	14.7
169.10117	6.6
170.10880	2.6
171.11740	11.8
172.12437	4.3
173.13268	25.3
175.14838	20.2
177.16391	14.4
183.11690	7.0
184.07359	19.3
185.13303	12.1
187.14838	17.8
189.16380	19.8
191.18007	3.1
197.13315	5.7
199.14893	13.8
201.16324	17.4
203.17953	14.0
209.13275	3.0
211.14900	7.5
211.74788	2.6
213.16441	13.2
215.17899	15.4
217.19576	7.7
223.14821	2.8
225.16429	5.7
227.17973	9.4
229.19562	7.9
231.21121	3.3
235.16899	3.3
237.16418	4.1
239.18004	5.5
241.19479	7.0
243.21140	7.8
253.19516	3.3
255.21085	7.7
257.22562	3.8
267.21060	4.8
269.22675	9.8
271.24261	5.4
281.22601	3.6
283.24316	8.3
286.65231	2.5
293.22910	2.9
295.24344	3.4
297.25745	6.8
311.27255	4.2
323.27322	3.5
325.28983	3.8
330.99249	2.7
332.28934	2.6
333.31314	2.8
337.28833	5.2
351.30609	4.7
391.33698	3.0
393.35562	3.6
459.40002	4.2
461.41803	2.9
473.42010	3.0
541.38843	7.5
541.47516	44.3
542.48083	3.1
559.48944	13.6
721.53693	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	721.5073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.5
57.07104	0.4
59.05000	1.3
61.31002	0.4
67.03505	0.3
67.05515	0.5
71.51550	0.4
74.63162	0.3
79.05495	0.7
80.90607	0.4
81.07050	0.5
93.07049	0.6
95.08623	0.7
119.08542	0.5
121.10152	0.4
159.39053	0.4
184.07300	2.2
207.74698	0.4
221.00281	0.4
221.39177	0.4
554.31946	0.4
657.23444	0.5
689.26471	1.1
721.50757	100.0
722.29553	0.5
722.51105	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	720.4696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54103	0.3
51.94040	0.4
52.76849	0.4
53.03944	0.5
55.05233	0.6
55.05511	10.0
56.93722	0.4
57.07062	0.5
58.06605	0.4
60.00599	0.4
69.07074	0.7
70.06602	5.0
70.81788	0.8
70.82108	0.4
71.06943	0.6
72.08154	1.7
82.06576	2.4
83.05002	0.6
83.08623	8.3
84.04520	0.6
84.08149	2.7
85.06544	0.8
86.09709	1.7
87.05598	0.4
91.05465	0.4
98.09696	1.7
100.07622	2.7
100.11263	52.5
110.06053	1.6
111.04444	4.3
112.07623	1.4
112.11295	0.6
117.13914	1.2
120.08143	0.5
123.04369	0.4
126.09152	1.0
127.08682	1.6
128.07094	2.9
129.10294	1.0
130.08826	0.4
136.07582	0.5
139.08658	3.5
140.07094	1.5
159.09178	0.6
175.82466	0.4
182.15414	16.7
190.07906	0.7
191.08572	15.0
192.13858	0.5
199.21770	0.5
208.08827	0.6
209.16504	22.4
210.14897	21.4
211.15175	0.7
218.07211	0.4
219.08058	13.0
220.08768	1.8
226.19139	7.0
227.17621	1.8
228.15947	1.9
236.08316	2.4
246.96062	0.5
251.10689	12.2
268.13300	5.1
308.26874	1.0
326.27902	3.4
335.24426	1.0
336.22791	3.5
417.32443	0.5
435.33350	14.4
453.34396	100.0
454.34906	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	720.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	2.2
53.03916	1.5
55.01883	1.9
55.05516	8.7
57.03441	4.6
57.07070	0.3
59.05009	4.2
61.02935	1.8
67.05515	7.1
69.03410	1.0
69.07079	1.7
70.06593	5.3
71.01336	0.9
71.04964	0.8
71.19305	0.6
72.08171	1.8
73.02896	1.0
77.03924	0.6
79.05499	4.7
79.29635	0.3
81.03420	2.1
81.07066	11.2
83.04956	1.7
83.08630	7.3
84.04492	0.7
85.02870	1.4
85.06520	0.7
86.09672	1.2
89.06046	0.4
91.03931	0.9
91.05492	14.7
93.07051	10.3
95.04982	3.2
95.08626	2.9
96.99883	0.4
97.02905	4.6
97.06497	1.6
97.10113	0.5
99.00825	14.8
99.01463	0.7
99.04438	0.7
99.08075	0.8
103.05432	1.0
105.07047	11.2
107.04961	4.3
107.08612	5.8
109.02143	0.6
109.02888	9.3
109.06536	1.8
109.10172	3.5
111.04420	0.9
111.08098	2.7
112.08493	0.3
113.05982	0.6
115.03921	2.0
115.05388	0.3
116.46819	0.4
117.07041	2.0
117.09094	1.2
119.05011	0.5
119.08601	6.3
120.08095	1.3
121.02860	0.6
121.06522	6.4
123.04389	1.3
123.08086	0.4
123.11678	1.6
125.05994	0.5
125.06931	0.4
127.03946	2.0
128.06227	0.9
129.07007	0.5
131.08542	0.8
133.06479	0.8
133.10147	28.7
134.10449	0.5
135.08044	0.8
135.11647	1.0
137.05989	1.6
137.09564	1.3
139.07556	3.2
143.08580	4.2
145.06540	0.8
147.04457	0.4
147.08031	1.0
151.11208	9.1
161.09641	16.8
163.11227	0.5
165.09074	0.6
171.08080	3.0
175.13208	0.4
179.10695	10.6
185.09206	0.3
189.09142	8.5
197.11644	2.6
207.10207	2.7
225.11223	11.0
243.12271	2.7
281.13864	6.2
299.14920	100.0
300.15265	1.7
505.24289	0.6
523.25458	47.2
524.25873	1.1
587.28326	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.05523	1.7
57.03444	2.0
57.07065	0.8
59.04992	1.4
60.85460	0.3
61.02930	5.2
67.05514	6.4
69.03432	3.0
69.07071	1.8
70.90762	0.9
71.05002	0.6
73.02924	3.6
79.03020	0.4
79.05509	3.6
80.18150	0.3
81.03407	1.7
81.07066	7.1
83.04996	0.7
83.08625	1.3
85.02914	4.8
86.09714	1.0
87.04469	0.4
91.03962	3.6
91.05489	2.7
93.07042	3.0
94.50051	0.4
95.04970	0.4
95.08619	3.9
97.02901	4.7
97.06499	0.5
99.04460	0.9
99.08125	0.4
101.02387	1.6
104.34295	0.4
105.07052	1.6
107.08611	1.3
109.02887	0.8
109.10165	1.6
115.03909	0.5
117.02937	0.3
117.07087	0.5
119.08592	1.5
121.10164	1.6
123.11726	0.8
125.00014	0.8
127.03944	1.3
131.08531	0.5
133.10152	1.1
135.11682	2.0
145.10155	1.0
145.18468	0.3
147.11771	0.5
158.47978	0.3
159.11647	0.4
163.11191	1.9
181.37872	0.4
184.07390	4.1
185.04196	0.6
227.12862	1.1
235.70551	0.4
240.49843	0.5
243.08450	1.6
249.11015	10.3
305.13748	1.1
309.24335	0.8
313.27768	0.5
354.59991	0.4
382.36362	0.4
467.18927	4.4
493.27789	8.0
516.34985	0.4
557.34851	0.5
686.52856	0.4
719.39764	100.0
720.40167	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	719.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	3.4
67.05495	1.2
70.49156	0.7
71.50772	0.7
71.51183	1.1
79.05490	1.3
81.07075	1.3
89.06018	1.6
95.08598	0.8
101.30553	0.8
103.65038	0.8
105.07018	0.9
107.08612	0.8
116.07118	0.8
120.94598	0.8
129.46313	0.8
133.08568	1.1
141.33493	0.8
157.31039	0.9
184.07375	1.3
195.09087	1.0
221.10840	0.9
223.12256	1.1
224.13033	1.2
225.10191	1.9
225.13898	4.3
226.14786	1.0
228.85605	1.0
237.13805	2.5
249.13887	1.3
251.08374	1.6
275.15280	1.0
309.08624	0.9
342.16092	1.0
354.07513	0.9
389.17603	1.6
403.15256	1.9
404.20087	1.1
417.16904	4.7
418.17621	2.0
431.18729	2.2
432.19345	2.7
433.20193	4.3
447.21979	11.2
448.22372	1.4
460.18799	1.0
461.19537	1.0
475.21344	22.3
476.21735	3.6
489.22702	1.2
503.20578	4.3
507.23260	0.9
535.23389	17.5
547.23199	2.9
549.24738	2.0
551.26520	0.9
561.24976	5.7
562.25635	3.6
563.26379	3.1
581.24524	0.9
589.24469	1.1
621.27032	7.6
622.27875	100.0
623.28442	6.0
719.31812	3.4
719.43768	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.8
55.05516	16.2
57.03439	1.3
57.07085	9.0
59.04752	0.9
59.05006	10.1
61.02922	1.2
67.05521	4.3
69.03438	4.0
69.07074	34.8
70.06596	1.4
71.08646	3.6
73.02927	1.1
73.06556	2.1
77.06039	1.0
79.05505	0.9
81.03434	1.3
81.07071	6.3
83.08628	19.7
85.02914	10.8
85.10185	2.4
87.03936	1.2
87.04477	28.6
89.06041	42.4
91.05476	1.0
93.07054	1.1
95.08612	4.6
97.02924	2.8
97.10181	21.8
99.04445	0.8
103.03953	100.0
103.07600	6.1
104.04292	0.6
107.07077	4.3
107.08585	0.9
109.02892	1.6
109.10162	3.1
111.04573	0.6
111.11732	14.7
117.09130	0.9
119.07070	0.9
121.04985	0.8
121.08606	1.9
121.10149	1.1
123.11664	1.5
125.13289	4.9
127.03947	1.9
130.08626	0.8
131.07069	6.1
133.08612	16.9
137.00082	0.9
145.05000	0.7
147.06538	9.6
147.10118	0.7
151.09727	2.0
163.09694	2.4
175.09663	4.0
177.11212	5.8
179.18011	1.2
184.32040	0.7
185.62561	0.6
191.09155	9.6
195.12233	0.7
197.19012	5.4
199.20543	6.9
207.12303	3.8
209.13969	1.0
219.12350	0.9
221.13872	1.9
235.11784	9.8
235.84189	0.7
241.21652	0.9
243.23090	3.2
253.16472	1.9
269.24872	1.0
279.14450	1.8
283.17746	1.2
283.22858	0.8
285.24454	1.2
287.25879	7.4
295.17587	3.3
297.15674	1.1
297.19110	2.0
313.18594	1.7
323.17081	2.6
331.28452	5.9
341.18079	11.9
375.31009	1.6
419.33444	0.8
428.14624	0.8
437.34793	1.7
493.37494	3.7
521.37073	3.5
539.37903	25.7
578.52356	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.4
53.03936	1.2
55.05500	1.2
56.62603	0.3
57.03450	2.1
57.07075	0.3
59.05017	0.4
59.60175	0.4
61.02930	5.6
67.05509	4.8
69.03432	3.0
69.07072	1.4
69.55202	2.4
71.01325	0.6
73.02927	3.0
79.05505	5.2
81.03422	1.7
81.07059	4.0
85.02906	4.9
86.09711	0.8
87.04454	0.4
91.03963	2.3
91.05489	2.5
93.07053	4.7
95.04951	0.7
95.08609	3.1
97.02893	4.0
99.04478	1.1
101.02397	1.4
105.07008	1.7
107.08624	2.3
109.02896	0.6
109.10199	1.1
115.04010	0.5
116.89260	0.4
119.08602	1.2
121.10135	2.9
123.11703	0.4
125.00018	0.4
127.03906	0.7
131.08655	0.7
133.10124	0.9
135.11711	2.3
145.10149	1.2
147.11719	0.4
159.11716	0.5
163.11200	2.0
169.10037	0.4
184.07375	1.5
185.04236	0.4
191.18163	0.4
201.70753	0.4
227.12773	0.6
236.09698	0.4
243.08446	1.5
249.10994	9.6
305.13730	1.0
307.22705	0.8
418.97940	0.4
467.18903	3.9
491.26236	8.3
555.33386	0.6
580.26721	0.8
630.81964	0.5
635.25238	1.2
644.56128	0.4
667.27679	1.3
685.28369	0.5
717.38214	100.0
718.38464	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	717.313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.7
57.03439	1.6
59.05006	16.6
60.04533	1.2
67.05507	2.9
68.72440	1.2
69.07067	1.4
70.06588	1.4
79.05515	3.2
81.03461	1.1
81.07057	5.2
81.45988	1.1
83.08630	1.4
86.09697	1.4
87.04470	1.5
89.06040	1.5
93.07039	3.2
95.08631	3.3
98.20727	2.3
105.07061	1.7
107.08609	1.9
107.12706	1.1
109.10194	1.3
117.09162	5.1
119.08598	1.4
121.10166	1.6
123.08118	1.4
135.11671	1.4
136.06190	3.0
162.07777	3.1
175.13339	2.4
184.07405	2.7
201.36768	1.4
218.15367	1.3
223.12343	1.8
237.13972	2.7
262.13443	1.4
274.13654	1.1
314.16605	2.2
316.14447	1.8
318.16107	1.8
328.18253	1.5
337.15475	2.6
350.16034	1.5
351.16336	2.0
352.17664	1.9
364.17764	1.6
365.17853	3.4
377.17978	2.6
378.19489	2.7
379.19583	1.5
380.20087	2.3
381.21091	1.7
391.19565	1.9
392.15936	1.5
392.20505	1.6
393.16821	2.5
393.21289	2.1
394.18109	1.9
395.18719	3.6
405.21317	2.5
406.18213	1.8
407.18259	2.2
407.22852	2.7
408.19516	2.4
409.20230	32.3
409.25165	2.2
410.21063	1.8
417.16437	1.4
421.20786	2.9
423.21902	17.2
424.22742	11.6
434.17227	1.3
435.22348	3.3
436.22513	2.6
437.19101	1.5
437.24136	1.6
439.17477	1.7
443.22330	4.8
449.19559	1.4
451.21582	4.7
453.18802	7.8
454.20053	1.7
458.77179	1.2
463.21332	5.1
464.22095	1.5
467.24658	2.7
468.21240	1.6
469.26163	1.6
473.19290	1.9
479.24994	1.6
481.22919	1.7
491.20895	2.0
492.20688	1.5
493.19028	3.8
493.26480	2.2
494.26825	2.5
495.23972	4.8
496.24625	4.2
507.21683	1.4
509.25848	2.0
510.26608	1.4
511.27197	30.3
512.27594	1.4
521.25360	3.2
522.26013	2.0
523.23163	5.4
525.23907	1.5
535.20178	2.0
536.50757	3.6
537.24933	2.5
537.51141	1.6
538.26111	3.0
539.25079	2.4
540.23712	1.7
549.25372	2.2
551.23022	5.1
553.28217	4.8
554.26636	1.5
555.26117	25.4
556.26630	3.8
566.25116	1.8
567.22058	6.7
580.27106	1.8
581.27808	8.5
582.25128	5.0
583.25378	5.8
593.23895	7.1
597.27393	2.3
598.27936	24.5
598.36865	2.3
599.28326	2.5
607.25781	1.6
610.24072	3.4
611.25159	3.3
612.29327	1.9
613.30145	4.0
625.26501	15.7
626.26831	4.0
640.27142	1.6
642.26874	5.4
643.27728	6.5
653.25958	19.7
657.28802	3.2
667.27435	6.1
673.36432	1.4
685.28687	100.0
686.29047	6.3
699.30133	19.6
717.31274	82.9
717.43005	6.4
718.32037	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	716.5514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.8
57.07081	31.1
59.04997	1.8
64.55241	0.5
67.05518	0.8
69.07076	5.2
71.08639	30.8
73.02927	0.9
73.06566	10.2
81.07067	1.2
83.08624	4.5
85.09670	0.7
85.10189	16.3
87.04478	11.5
89.06039	100.0
91.07612	1.0
95.08630	0.7
95.99232	0.5
97.10184	4.6
99.11739	3.0
102.64256	0.6
107.07061	1.5
111.11729	2.8
113.13302	2.1
117.09141	9.1
117.09914	0.8
125.13313	1.7
127.14870	2.2
130.08652	2.0
131.07039	3.3
133.08615	49.7
135.10204	1.1
141.16432	0.9
154.66432	0.4
155.18016	0.9
161.11766	1.5
175.09731	2.0
177.11244	18.7
184.07382	1.2
197.22702	1.5
221.13843	3.7
239.14905	0.8
241.25336	1.7
251.23967	0.5
264.26990	0.7
265.16473	1.3
276.03555	0.5
283.17593	1.0
285.27890	4.9
288.27686	0.5
292.89703	0.5
309.19165	1.0
327.20001	0.6
329.30472	2.5
371.23120	0.6
503.30719	0.8
698.48059	0.6
699.52594	2.4
716.55292	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32821	0.5
55.05518	4.2
57.07083	34.1
59.05007	14.9
65.50854	0.5
67.05518	4.0
69.03453	1.2
69.07081	4.7
69.95100	2.2
71.08640	30.9
73.02927	1.4
73.06564	8.9
79.05490	2.1
81.03416	0.7
81.07064	2.7
83.08636	3.8
85.10188	16.4
86.09722	3.0
87.04478	15.0
87.78229	0.5
88.08154	0.6
89.06040	51.5
90.06353	0.6
91.05483	1.5
93.07044	1.9
95.04992	0.9
95.08607	2.2
97.10175	6.0
98.20863	1.0
98.98489	0.7
99.04472	0.6
99.11739	3.7
101.75208	0.5
103.03953	100.0
103.07587	6.9
104.14095	0.5
105.07069	1.2
107.07086	1.3
107.08601	2.0
109.10173	1.0
111.11754	3.0
113.06007	1.4
113.13303	2.1
115.07478	0.7
117.07034	0.7
117.09145	10.6
119.07037	0.9
119.08614	0.8
121.08652	1.6
125.00008	1.4
125.09644	2.0
125.13286	1.9
127.14851	2.0
130.08659	0.8
131.07043	4.6
133.08615	18.7
135.08006	0.6
135.11693	0.5
136.06192	10.0
141.16467	0.6
143.91528	0.6
145.10097	0.7
147.06535	11.0
147.10181	3.3
161.11781	2.2
162.07755	17.7
163.09700	2.9
175.09637	2.5
177.11235	9.2
179.12764	0.6
183.14714	0.6
183.21086	2.9
184.07330	7.8
187.22197	0.6
189.11276	0.7
191.09152	5.4
203.12794	0.7
207.12315	3.7
219.12363	0.7
220.08325	1.2
221.13866	2.1
227.12912	0.7
227.23680	3.1
235.11777	6.1
239.15016	0.7
251.14963	0.6
259.15524	3.0
265.16519	0.6
271.26337	6.7
279.14447	1.5
283.17480	0.7
315.29022	3.2
335.25919	2.7
337.27191	0.6
373.56900	0.6
378.88480	0.6
429.49399	0.6
447.41528	0.6
517.28540	1.3
519.36786	1.2
698.45148	0.8
699.48474	0.7
716.39648	0.6
716.50220	3.4
717.31372	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
55.01877	1.5
55.05516	18.6
57.03447	10.1
57.07081	8.5
59.05007	2.2
60.08168	1.3
61.02916	1.0
65.03960	1.2
67.05506	20.2
69.03412	1.5
69.06680	1.2
69.07069	21.2
69.85701	0.9
70.09698	2.9
70.10101	2.0
71.04980	2.5
71.08624	3.8
73.02866	1.1
79.05067	1.5
79.05499	20.5
81.03415	2.5
81.07059	25.2
83.04964	2.9
83.08623	23.6
85.06525	0.9
85.10201	2.3
86.09691	5.5
87.04443	1.6
89.06036	3.3
91.05479	6.6
92.01392	0.9
93.06486	1.7
93.07052	27.9
95.04951	3.7
95.08614	32.7
97.02892	3.8
97.06523	4.8
97.10187	5.3
99.04451	2.7
99.08103	1.9
103.03902	1.1
105.07041	4.6
107.04974	4.7
107.08604	21.8
109.06483	2.2
109.10168	6.8
111.04434	1.6
111.08086	2.2
111.11703	2.7
117.07030	4.9
117.09175	1.1
119.08599	7.0
121.06509	4.4
121.10163	18.1
123.08128	0.8
123.11683	2.9
125.00018	3.5
125.05992	1.7
125.09609	1.6
130.07785	1.1
131.08553	1.3
133.08604	1.5
133.10126	2.5
135.08060	1.8
135.11699	35.2
136.06186	9.2
137.13255	2.3
139.07530	1.3
139.11165	2.1
145.05112	1.3
145.10130	17.1
149.13266	2.4
153.12700	1.8
162.07762	22.6
163.11189	32.5
163.14911	1.1
181.12215	4.7
184.07378	17.2
219.21127	2.3
225.86046	0.8
227.10542	1.8
227.12802	36.6
237.22137	2.0
267.15689	1.1
283.15421	47.9
284.15842	1.2
311.25812	100.0
312.26169	2.9
519.36859	81.9
520.37000	3.7
550.04083	1.1
684.27588	9.0
698.44165	1.6
716.29614	18.6
716.44897	4.0
717.30084	1.6
717.46521	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	716.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
54.41931	1.1
55.01868	1.6
55.05516	16.1
57.03450	7.3
57.07080	2.2
59.04998	6.9
60.08169	2.5
61.02925	3.9
65.03941	3.6
67.05512	100.0
69.03418	2.5
69.07085	11.2
69.87609	1.2
71.04998	19.1
71.51309	1.4
73.06577	2.4
79.05500	52.2
81.03407	4.2
81.07063	40.4
82.07391	1.2
83.04985	4.7
83.08624	9.0
85.02920	4.7
85.06538	3.1
86.09710	13.4
89.06016	1.7
91.03961	1.2
91.05489	30.1
93.07047	57.4
95.04974	4.9
95.08618	26.0
97.02914	1.7
97.06549	5.2
97.10187	1.3
98.98505	1.8
99.08102	3.8
105.07040	12.8
107.08606	13.6
109.06504	2.2
109.10168	60.8
111.08106	4.3
117.07015	3.6
119.08602	19.3
121.10158	29.0
123.11674	3.2
125.00014	8.0
125.09653	1.4
129.07047	2.4
131.08617	5.9
133.10184	7.4
135.11717	13.0
137.09584	8.7
143.08566	2.1
145.10094	6.7
147.11722	4.7
149.09598	1.7
149.13232	3.0
155.10643	3.0
159.11725	4.3
161.13335	1.6
161.21410	1.3
163.11211	4.2
169.12218	1.5
171.11858	1.5
173.11769	6.8
173.13197	2.7
181.12283	1.5
184.07365	32.0
215.17998	4.3
233.19144	1.7
255.15895	7.8
259.15329	3.5
277.21689	1.4
287.18564	20.5
307.22681	29.1
311.65372	1.3
335.25836	4.0
369.28116	2.0
443.31583	1.8
461.32660	96.3
462.33005	4.0
475.34125	5.2
487.34387	10.2
519.36865	89.3
520.37183	1.5
573.04065	1.3
583.70618	1.4
652.27649	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	716.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.2
55.01871	3.4
55.05516	16.5
57.03444	14.6
57.07085	2.3
59.05008	4.4
61.02925	4.4
62.06096	2.3
65.03954	1.7
66.72908	1.3
67.05515	54.9
69.03425	5.3
69.07077	11.8
71.04998	4.6
71.50965	2.3
79.05504	60.8
81.03418	8.3
81.07067	41.8
83.04989	9.3
83.08640	8.0
85.02918	5.7
85.06538	2.3
86.09699	1.7
87.04476	6.2
91.05496	29.7
91.06036	3.2
93.07054	69.3
95.04981	6.4
95.07990	1.9
95.08615	31.1
97.02912	1.5
97.06541	6.6
97.10203	2.8
99.08097	3.4
101.06031	16.1
103.05486	1.6
105.04564	1.6
105.07052	18.3
107.04977	3.7
107.08613	31.9
109.06536	1.9
109.10178	13.6
111.08078	2.2
115.03949	2.3
117.07037	7.6
119.08589	13.4
121.10155	67.7
123.08113	5.0
123.11707	6.1
125.09673	3.0
129.07050	2.4
131.08594	27.1
133.10164	10.2
135.08083	1.9
135.11710	16.8
136.06204	5.9
137.09608	1.7
137.13190	1.9
139.11224	6.0
143.08528	2.0
145.10143	9.2
147.11728	5.4
149.09634	21.6
149.13304	8.3
150.52695	1.5
159.08096	2.0
159.11705	5.3
161.13344	1.8
167.10681	19.3
173.13286	5.1
177.09105	2.7
177.12740	1.6
184.07385	6.5
185.11710	4.2
188.32367	1.6
193.12357	2.3
195.10246	5.6
205.19505	3.1
213.11229	3.6
215.17972	23.6
233.19017	20.1
241.14487	2.4
251.12639	2.2
267.15936	5.1
269.13916	4.6
287.14914	70.5
287.18152	3.3
307.22699	100.0
308.23065	2.1
309.24341	4.3
448.24512	1.7
501.35773	3.3
519.33142	30.3
546.61084	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.6
55.05507	25.1
57.03418	3.8
57.07073	9.3
59.04996	14.8
67.05511	41.2
69.03436	18.3
69.07059	17.6
70.02103	9.4
70.02505	6.9
71.04976	3.4
71.08644	4.6
79.05493	28.6
81.03422	7.3
81.07054	50.1
83.04980	13.9
83.08615	11.1
85.02919	4.0
85.06534	33.7
85.10191	4.1
86.09686	4.3
89.06030	5.8
91.05475	23.7
93.07036	40.0
95.04981	12.2
95.08613	35.1
97.02917	3.6
97.06538	4.9
97.10184	4.1
98.20735	3.9
99.08102	7.9
105.07037	25.8
107.04976	7.1
107.08582	32.5
109.06507	11.0
109.10146	31.2
111.08080	15.3
116.07114	4.3
117.07003	9.0
117.09155	5.2
119.08579	35.8
121.06530	9.2
121.10144	49.0
122.07271	4.1
123.04420	9.8
123.08054	8.6
123.11708	14.5
125.09650	16.0
127.07614	3.7
128.06215	3.5
131.08568	16.8
133.10109	24.0
135.08063	13.5
135.11722	16.8
137.09625	21.9
139.11221	5.1
143.08574	3.8
145.10144	21.7
147.08043	3.8
147.11678	16.9
149.09602	22.3
149.13232	5.7
151.11212	6.9
153.09126	19.3
157.10146	9.7
159.08005	4.6
159.11693	15.7
161.09618	6.7
161.13246	7.0
163.11234	7.1
163.14827	4.2
165.09155	4.9
167.10646	6.1
171.11711	4.6
173.13237	24.0
175.11240	3.7
175.14891	4.1
177.12805	6.6
179.10698	7.7
183.11667	3.5
184.07355	11.2
187.11234	5.6
187.14832	12.0
189.16415	4.1
191.14314	15.9
199.14857	4.0
201.12741	7.6
205.12363	8.0
207.13733	4.6
217.15779	7.1
219.13840	10.6
229.19580	5.3
247.20599	5.1
257.18979	19.0
275.20074	100.0
293.21167	64.6
430.77429	4.0
437.40112	3.5
543.36145	6.8
574.48907	11.4
679.45001	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	715.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.5
53.62732	0.8
55.01881	1.7
55.05522	5.0
58.99582	1.4
59.04999	3.3
65.03941	1.9
67.05511	14.5
68.05024	2.0
69.03439	6.1
69.07066	3.6
70.06586	3.0
71.49442	1.2
72.08149	2.4
76.04019	2.0
79.05499	11.6
80.05025	13.7
81.03402	0.9
81.07074	14.7
83.04978	3.3
83.08606	1.6
84.04514	3.0
84.08149	1.4
85.02889	2.3
85.06537	1.0
86.00620	1.0
86.09699	1.5
87.04475	1.1
89.06050	2.1
91.05492	12.4
93.06496	0.9
93.07059	12.8
95.04967	4.5
95.08614	18.1
96.04494	4.6
97.02854	0.9
97.06556	7.9
103.05412	1.3
105.07036	18.5
107.04987	1.9
107.08603	19.7
108.04492	4.3
109.06532	10.2
109.10168	11.5
110.06020	1.2
111.04456	1.6
111.08069	3.0
112.02229	1.8
114.03764	14.9
115.05400	1.0
116.01682	1.1
117.07026	4.4
119.06034	1.1
119.08595	10.2
121.06522	4.0
121.10162	4.8
123.04426	2.6
123.08081	44.2
123.11698	3.1
124.02192	2.4
125.06026	8.5
125.09648	15.8
128.06252	3.9
128.43156	1.0
129.07048	4.7
130.07780	2.1
130.73651	0.8
131.08571	10.0
133.06473	1.0
133.08618	1.3
133.10147	12.6
135.08072	3.9
135.11681	4.6
136.03931	4.6
137.06102	0.9
137.09644	5.2
140.01672	5.4
141.06985	2.3
142.03236	100.0
142.07802	2.6
143.03548	1.2
143.08582	13.9
145.06470	2.1
145.10130	13.8
146.07272	0.9
146.10556	1.0
147.08043	2.7
147.11711	4.8
149.05981	0.9
149.09644	4.8
149.13292	1.8
151.07559	9.1
151.11241	1.1
153.06982	1.2
153.09120	4.6
154.07794	1.5
155.08562	7.7
155.10556	1.5
156.09363	1.9
157.10147	8.8
158.07104	1.0
159.08093	3.8
159.11716	6.9
160.08803	1.0
161.09648	13.5
161.13295	2.7
163.11205	2.4
165.06970	3.5
165.09064	1.2
167.08580	4.3
168.01155	1.4
168.09363	2.3
169.07118	0.9
169.08618	26.7
169.10135	7.9
170.02734	42.7
171.03088	1.0
171.08061	22.8
171.11720	5.7
173.09605	4.2
173.13249	3.9
175.11191	5.3
177.12769	2.7
178.07788	1.2
179.08575	4.0
179.10632	1.2
180.09398	1.9
181.10139	5.6
182.10983	2.0
183.08095	4.1
183.11662	8.7
184.12474	1.5
185.09583	2.7
185.13254	6.3
187.11247	3.4
187.14822	5.1
189.09109	1.9
189.12747	2.7
192.09364	1.1
193.06129	1.5
193.10156	5.2
193.12225	2.7
194.10905	2.2
195.08075	1.8
195.11716	5.9
196.12529	1.9
197.09654	5.5
197.13281	6.8
198.14052	1.6
199.05341	4.1
199.11215	3.1
199.14825	2.8
201.12683	2.1
205.10080	1.2
206.10945	2.3
207.11859	4.6
208.08961	1.7
209.09718	4.1
209.13316	4.2
210.10490	1.7
211.07170	6.7
211.11226	6.1
211.14828	3.1
212.12057	1.2
213.12741	4.6
215.04999	1.5
215.14348	2.4
217.10103	1.2
218.10950	1.1
219.11723	2.3
220.08844	0.9
220.12436	1.6
221.09590	2.1
221.13297	3.6
221.15282	0.9
222.13844	1.1
223.11201	4.2
223.14807	2.4
225.12746	4.1
225.16415	2.3
227.04893	8.8
227.14287	3.5
229.16005	0.9
229.19543	1.0
232.12442	2.0
233.13286	1.6
235.11188	4.1
235.14836	4.3
237.12712	4.5
237.16447	4.9
239.14305	3.1
239.17944	5.7
241.15932	1.7
243.04417	3.2
245.05936	64.1
245.13136	1.5
246.06377	1.0
247.11095	1.3
247.14806	2.4
248.12015	2.5
249.12811	4.1
249.16379	3.1
251.14287	2.6
253.15906	2.9
255.13805	1.4
255.17471	2.2
257.19058	5.5
259.11209	0.9
261.12775	3.1
261.16458	1.9
263.14322	21.9
264.14792	1.2
265.15988	8.0
267.17441	16.3
271.14676	1.3
274.13620	1.1
275.14267	1.4
277.15964	1.1
279.17419	2.4
281.15381	9.2
283.17026	2.4
285.18588	5.2
287.14288	1.7
289.15909	11.6
291.17453	3.3
293.18954	1.8
303.20001	0.9
304.18225	1.2
305.18683	1.0
307.17053	3.9
371.23544	2.4
381.22128	2.3
389.24835	4.4
399.23291	9.6
400.17255	1.0
407.25784	3.8
409.23624	6.5
417.24286	16.0
425.26782	2.0
435.25317	15.2
453.26559	5.0
558.26721	0.9
576.27795	1.2
594.28442	1.4
653.28522	1.3
661.29303	1.0
715.32446	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	715.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62414	0.8
51.02409	0.9
53.03936	1.6
55.01864	0.8
55.05510	4.7
57.03421	1.3
58.99586	2.0
59.04990	2.7
65.03920	1.3
65.15321	0.8
67.05508	14.9
68.05022	2.8
69.03435	5.9
69.07077	4.3
70.06583	3.1
72.08172	1.8
76.03998	2.0
79.05492	12.1
80.04581	0.9
80.05021	14.9
81.03402	1.3
81.05785	1.0
81.07065	13.4
83.04981	3.2
83.08628	0.9
84.04510	2.1
84.08141	2.3
85.02905	1.5
85.06527	1.0
86.00655	1.0
86.09709	1.5
89.06017	2.3
91.05486	11.7
93.07048	10.5
95.04965	2.6
95.08611	16.2
96.04501	5.0
97.06524	6.7
103.05456	0.8
105.07028	17.8
107.04949	1.6
107.08593	21.4
108.04463	3.3
108.08894	0.8
109.06517	10.8
109.10149	8.8
110.06097	1.4
111.08069	2.9
112.02184	2.9
113.05985	1.0
114.03752	13.8
115.05443	1.6
116.01697	1.5
117.07025	4.3
119.08577	9.1
121.06515	3.7
121.10149	5.8
123.04443	2.5
123.08073	42.7
123.11707	2.7
124.02164	1.9
125.05996	9.2
125.09643	17.4
128.06252	4.2
129.06995	4.1
130.07779	1.6
131.08572	10.2
133.06439	1.5
133.10123	11.6
135.08046	4.8
135.11691	2.7
136.03934	3.8
137.09615	3.8
140.01654	5.8
141.06978	1.5
142.03223	100.0
142.07765	2.5
143.03574	0.8
143.08578	12.5
144.09332	1.6
145.06465	2.4
145.10135	13.4
147.07996	3.0
147.11685	4.8
149.09608	5.5
149.13284	1.9
151.07553	8.7
151.11180	1.5
152.08339	0.8
153.07013	1.1
153.09119	4.8
154.07637	1.1
155.08559	8.1
155.10684	1.2
156.09322	2.4
157.10149	7.8
158.07289	1.2
159.08049	3.7
159.11691	7.0
160.08926	1.0
161.09618	12.6
161.13208	2.6
163.11179	2.4
165.07019	2.4
167.08540	4.1
168.09328	1.6
169.08601	28.7
169.10110	6.8
170.02713	43.6
171.08058	23.5
171.11659	6.2
173.09660	4.5
173.13338	3.9
175.11119	5.2
175.14786	2.0
177.09151	0.9
177.12677	2.2
178.07768	1.3
179.08585	3.7
179.10646	1.6
180.09319	1.7
181.10181	4.8
183.08008	3.6
183.11691	8.3
184.08859	0.9
184.12416	1.1
185.09610	4.2
185.13258	6.9
187.07588	1.4
187.11221	4.2
187.14810	4.2
189.09056	0.9
189.12753	2.3
191.08580	1.2
192.09436	1.3
193.06143	1.9
193.10136	4.6
193.12250	3.6
194.10921	1.0
195.08142	1.4
195.11707	5.1
196.12381	2.2
196.21744	0.8
197.09599	5.3
197.13264	6.1
198.10400	1.2
198.14034	1.3
199.05377	3.1
199.11209	2.8
199.14835	3.7
201.12779	3.0
205.10126	2.7
206.10854	1.0
207.11708	3.2
207.13602	1.0
208.08792	1.3
209.09663	2.3
209.13237	4.1
211.07227	5.5
211.11195	7.2
211.14793	2.6
213.08876	1.1
213.12749	3.9
213.16336	1.2
215.04918	1.0
215.14362	1.9
217.10081	1.4
218.10970	1.5
219.11667	1.5
221.09679	2.8
221.13283	3.1
221.15332	1.4
222.10442	1.6
223.11177	3.7
223.14854	2.9
225.12761	4.9
225.16356	3.7
227.04865	8.1
227.14284	2.2
229.16017	0.9
229.19588	1.1
231.11731	1.2
232.12350	1.2
233.13187	2.5
234.14120	1.0
235.11226	4.0
235.14796	4.9
236.11761	0.9
237.12743	4.8
237.16382	5.8
239.14299	4.7
239.17940	5.4
241.15875	2.1
243.04442	4.2
243.13943	1.0
245.05919	61.9
245.13258	2.3
246.14049	1.4
247.14828	2.5
248.11847	1.3
249.12769	2.5
249.16357	2.7
251.14317	2.8
253.15784	3.1
255.17480	2.0
257.18954	4.2
261.12762	1.8
261.16479	1.6
262.13632	0.9
263.14325	21.4
264.14771	1.7
265.15869	6.4
267.17474	15.7
274.13498	1.8
275.14423	1.8
279.17480	1.3
281.15384	10.0
283.16940	2.1
285.18539	5.2
287.14206	1.2
289.15903	8.3
291.17352	2.1
293.18936	1.5
303.17007	1.4
303.19925	1.0
307.16956	4.4
327.67166	0.9
371.23715	2.7
379.26483	1.0
381.22177	2.2
389.24973	4.3
399.23245	8.0
407.25583	2.7
409.23541	4.3
417.24292	16.2
425.27054	1.3
435.25372	18.5
436.26260	1.1
453.26428	5.3
576.27539	1.8
653.28577	1.3
660.31458	0.9
715.30511	1.9
739.54230	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2975
Annotation	Neobeguin
Peak:m/z	Relative Intensity
51.54685	0.7
53.03962	0.7
55.05521	1.0
57.03431	0.7
57.07079	0.8
59.05003	2.4
67.05511	2.4
69.07053	0.8
69.80246	4.0
76.67215	0.8
79.05499	1.1
81.07080	0.9
86.09702	1.5
88.03928	0.7
91.05500	1.0
92.27687	0.8
93.07063	2.4
95.08620	1.5
100.27600	0.7
105.07071	0.8
108.08072	0.9
109.10170	1.0
120.08149	1.0
121.10182	0.8
125.00056	1.4
145.10277	0.9
146.06160	0.6
162.07829	1.4
163.11275	0.7
183.09233	0.8
183.86351	0.6
184.07387	4.2
185.07675	0.9
195.09175	1.0
223.12346	1.0
224.13264	0.8
247.12210	0.7
251.11789	1.1
253.13646	0.9
262.25311	1.2
263.12012	1.4
265.13437	1.2
289.13370	0.9
304.14703	1.2
305.12973	1.1
351.16016	0.9
391.15375	1.1
393.21112	1.1
395.18832	1.2
407.18704	1.3
408.19498	1.0
409.20364	4.5
410.20856	0.9
420.19589	1.3
421.20572	2.2
423.17648	1.2
423.22394	1.7
433.20770	1.5
435.22061	1.2
437.19931	3.3
439.21542	1.0
446.17285	0.9
448.19427	1.0
449.19855	3.0
451.21802	1.7
452.22165	1.9
461.19772	1.4
462.21017	0.8
465.18524	0.8
465.23837	1.0
471.18127	0.9
477.19513	2.9
478.20102	1.6
479.21167	1.2
489.19388	2.2
493.22427	1.2
502.18869	0.8
505.18619	1.2
506.19870	2.0
507.24396	0.9
509.25699	1.2
517.18567	1.3
521.22839	0.8
525.25092	1.9
531.20251	1.2
533.22516	0.9
535.23486	1.6
536.24072	1.6
537.24695	2.9
543.26239	1.0
553.24438	1.4
563.22620	1.5
565.24933	3.5
566.24194	0.9
581.23364	1.3
591.22461	1.1
593.24109	3.2
595.25623	2.0
596.26868	0.9
597.26904	2.1
608.23322	1.0
609.24219	1.2
623.25641	1.7
625.26630	3.4
627.27472	0.9
641.25732	1.5
651.24603	3.0
655.27490	2.3
665.25909	2.1
683.27094	46.7
684.27692	3.8
687.30280	2.4
715.29773	100.0
716.29834	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	714.5515
Annotation	Soyacerebroside I
Peak:m/z	Relative Intensity
53.03939	0.6
55.05516	7.0
56.05062	3.9
56.05313	1.1
57.07072	2.4
58.06609	0.7
59.88267	0.6
60.04520	2.5
65.03918	0.7
65.32312	0.6
67.05185	0.9
67.05515	10.9
68.05052	0.8
69.03428	0.9
69.07076	6.5
69.57384	0.6
70.06587	1.7
70.75092	1.3
71.08623	1.7
73.92381	0.6
77.03880	0.6
78.65344	0.5
79.05501	10.9
80.05011	2.4
81.03411	0.8
81.05806	1.5
81.07066	11.2
82.06595	6.6
83.08631	3.7
84.08139	0.6
85.02898	2.4
91.05489	8.6
93.07056	10.1
94.06576	19.0
95.06822	0.8
95.07361	7.0
95.07904	0.8
95.08018	0.6
95.08609	7.5
96.08146	4.3
97.02886	0.8
97.10172	2.7
100.40274	0.6
105.07033	5.9
107.08614	3.8
107.14436	0.7
108.08135	3.1
109.10193	3.2
119.08604	4.8
121.10175	4.1
122.09676	2.6
123.11768	0.7
127.03951	0.8
133.10165	4.4
135.11707	3.1
147.11676	1.4
149.13261	0.9
161.13246	1.6
163.14827	0.7
203.18224	0.6
219.42842	0.7
227.82388	0.5
233.22568	3.9
234.22356	0.7
240.34891	0.6
245.22687	4.8
250.25325	7.5
254.24846	1.5
262.25323	100.0
263.25653	1.7
272.25851	5.7
280.26401	6.5
312.25293	0.8
314.27417	0.6
320.81992	0.7
504.47720	6.0
516.47803	27.4
517.47943	1.9
518.49286	5.8
534.48816	16.6
696.53790	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	714.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.2
55.01867	4.0
55.05511	20.0
56.05022	6.1
57.03440	14.9
57.07078	4.7
59.05009	1.2
61.02930	10.7
64.35799	1.3
65.03935	3.2
67.05506	49.2
68.05025	5.9
69.03427	6.5
69.07069	11.9
69.40028	10.2
70.02951	5.0
70.06587	9.0
71.01357	1.6
71.04986	4.7
71.08621	1.3
72.04523	8.2
72.08135	2.4
73.02918	5.0
79.05495	57.8
80.05029	7.8
80.49996	1.3
81.02941	1.5
81.03422	50.3
81.07056	52.9
82.06580	4.7
83.04972	5.5
83.08611	17.4
84.08124	2.3
85.02910	10.9
85.06548	1.7
91.03961	6.1
91.05483	34.5
93.07047	60.3
95.04969	19.5
95.08611	32.7
96.04493	4.1
96.08175	1.6
97.02908	11.3
97.06512	3.5
97.10168	3.4
98.06035	3.7
98.21511	2.1
99.04436	1.6
99.08099	3.7
103.03997	1.3
105.04466	1.7
105.07034	19.6
107.04967	4.5
107.08609	20.5
109.02895	1.4
109.06514	4.6
109.10155	13.7
111.08087	5.4
115.05415	1.6
117.07026	8.1
119.04968	1.4
119.08584	19.9
120.08102	2.5
121.06503	3.9
121.10146	37.8
123.08046	3.7
123.11713	5.3
124.70631	1.4
124.99994	1.3
125.09617	4.5
127.03918	2.5
129.07001	6.8
131.08582	18.6
133.06464	1.5
133.10147	14.1
135.08093	1.7
135.11711	15.1
137.09628	3.1
138.12790	6.2
142.07805	2.1
144.06551	2.1
145.10176	7.7
147.08095	2.1
147.11716	10.3
148.11223	4.8
149.09660	8.2
149.13239	6.3
151.11324	2.2
157.10146	7.2
159.11658	7.0
161.13235	3.3
162.07680	2.7
163.11284	3.0
166.12283	14.0
173.13272	4.8
175.11171	7.8
180.08719	2.2
182.15405	22.3
184.13356	11.5
187.14790	2.1
189.11206	1.6
192.13823	4.3
193.12265	17.5
200.88324	1.7
205.19579	3.5
210.12871	2.4
210.14886	47.9
211.13287	2.6
215.17972	18.5
227.10278	1.6
228.15910	1.9
230.24788	26.4
233.19023	22.8
240.16010	1.9
246.65170	1.6
249.14915	2.2
258.13550	1.4
258.16949	7.0
267.00250	1.6
267.15918	98.7
268.16266	2.0
273.22183	1.5
284.18640	6.8
285.16812	2.1
289.21545	2.2
302.19662	10.3
302.34598	1.7
307.22678	100.0
308.23096	1.8
309.16745	1.4
349.30722	1.7
407.29343	3.0
425.30518	4.3
490.35486	7.1
499.27200	2.3
499.34210	40.6
500.34564	2.1
500.49698	1.5
508.36276	10.0
516.36853	6.2
517.35419	16.5
534.37933	48.1
552.38464	3.8
678.42163	5.7
696.32178	2.1
696.43146	25.5
697.42218	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	714.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48062	0.6
53.03918	2.5
55.01872	2.8
55.05515	15.2
57.03437	11.0
57.07086	2.8
59.04979	2.4
61.02908	1.2
65.03914	1.8
67.05506	42.5
69.03391	1.9
69.07069	17.3
70.21519	2.2
71.04963	2.5
71.08611	1.4
73.02903	1.3
77.03929	0.8
79.05495	24.7
80.05804	0.6
81.03427	3.6
81.07058	47.5
82.07352	0.7
83.04987	4.5
83.08166	0.9
83.08619	13.5
85.02863	1.1
85.06534	1.3
85.10144	0.9
86.09676	2.3
91.05479	15.8
93.07048	31.7
95.04969	5.9
95.08608	41.9
97.02891	2.7
97.06546	4.4
97.10139	2.5
98.20753	0.7
99.04463	3.2
99.08086	3.5
103.05463	0.7
105.07033	12.1
107.04955	5.7
107.08600	21.8
109.06477	2.4
109.10154	8.7
111.04430	0.8
111.08074	1.8
117.07021	6.0
119.08587	11.4
121.06515	4.3
121.09329	0.9
121.10152	12.2
123.08009	0.8
123.11711	4.6
123.20008	0.6
124.99056	0.7
124.99981	1.9
125.05973	2.3
125.09615	1.5
129.06998	0.7
130.07736	1.6
131.08531	1.2
133.10118	6.8
135.08000	1.7
135.11693	32.4
136.06224	0.8
137.09628	1.2
137.13251	1.2
139.07515	1.0
139.11185	0.7
140.10498	0.5
143.08591	0.7
145.10130	18.2
147.11697	3.0
151.11162	0.6
153.12729	1.8
159.07582	0.7
161.13245	1.8
163.11188	38.4
163.37717	0.6
175.14746	0.9
181.12250	6.4
181.31494	0.6
184.07353	7.3
185.07916	0.6
186.94040	0.7
209.11740	0.9
217.19516	2.7
227.12785	46.1
228.13316	0.6
235.20587	3.0
257.13974	0.6
262.25406	1.1
267.15982	1.7
283.15411	52.7
284.16034	0.9
292.53836	0.7
307.22748	2.9
309.24246	100.0
310.24579	2.7
338.97009	0.6
415.48267	0.7
481.91953	0.6
517.35272	83.1
518.35541	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	714.4401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17459	0.2
53.34089	0.1
55.05510	0.8
56.05035	0.7
57.05825	0.2
66.49648	0.2
67.05507	0.2
69.03429	0.3
69.07079	0.2
69.76995	1.0
70.06594	2.8
72.08159	7.8
73.08492	0.2
79.05511	0.3
81.03410	0.2
84.04514	2.3
84.08148	12.2
85.02913	0.3
86.06071	1.0
86.09710	100.0
87.10046	0.8
93.07021	0.2
93.68707	0.2
97.06565	0.2
101.10795	0.4
102.05531	1.6
110.07146	0.3
111.09225	0.2
114.05521	1.4
116.07118	0.2
120.08118	0.5
129.10245	7.6
130.08647	4.6
130.09615	0.2
136.07603	0.3
137.05963	0.2
147.11296	3.8
157.09764	0.7
167.07005	0.2
177.94521	0.2
183.11246	0.2
185.12952	0.2
185.16515	1.6
195.11331	0.3
199.14429	1.3
199.18091	1.5
201.12343	0.9
213.16058	0.6
215.13838	0.2
222.12274	0.4
227.13916	15.2
227.17630	0.9
228.14291	0.3
229.11760	0.4
240.13510	1.6
258.14517	3.6
276.15567	4.1
312.22772	2.2
332.28372	0.2
340.22327	12.9
341.22647	0.3
342.20438	0.7
357.21347	0.3
375.22427	4.4
406.13852	0.2
411.29895	0.2
439.29166	5.6
455.28741	0.3
488.30692	1.5
504.83646	0.2
568.33405	0.4
601.39197	0.8
714.43988	36.9
715.44269	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	713.5354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.2
55.05509	22.5
57.03419	3.8
57.07064	6.8
59.04993	7.3
59.81339	1.6
64.54305	1.6
65.03925	5.0
67.05505	57.8
69.03434	12.0
69.07072	30.9
69.50461	8.2
69.50864	2.9
71.04984	2.0
71.08618	2.5
79.05493	32.1
81.03430	15.7
81.07057	100.0
83.04967	4.6
83.08619	16.1
85.02900	12.3
89.06029	1.7
91.05481	31.3
93.06489	3.5
93.07045	50.5
94.59958	1.7
95.04945	5.8
95.08607	82.3
96.08929	1.7
97.02882	10.2
97.06522	3.4
97.10151	8.7
99.04437	4.6
105.06320	2.6
105.07029	48.3
107.08591	51.0
109.02873	4.2
109.06511	1.8
109.10155	51.3
111.04447	4.1
111.11790	1.7
116.93872	1.5
117.07018	9.0
119.08579	48.6
121.06551	1.8
121.09332	2.8
121.10149	39.9
123.11692	24.1
127.03892	4.8
129.07013	3.8
131.08577	18.2
133.10133	24.9
135.08060	2.8
135.11688	26.8
137.09656	2.6
137.13235	8.0
142.07758	2.3
143.08600	8.5
144.09317	1.6
145.05009	2.7
145.10132	26.3
147.11678	24.5
147.17070	1.6
149.13268	26.7
151.14745	2.9
155.08577	2.8
156.09322	2.0
157.10118	9.9
159.08185	1.8
159.10446	2.9
159.11685	25.6
161.09499	1.7
161.13271	19.8
163.11191	1.9
163.14810	13.6
165.12761	1.9
165.16353	1.9
169.10126	6.7
171.11693	7.2
173.13214	12.9
175.14792	14.3
177.12749	1.7
177.16391	7.0
179.17935	1.7
183.11723	3.2
184.07349	4.5
185.13287	7.8
187.14853	11.2
189.16356	13.1
191.17896	4.5
195.11671	2.3
197.13260	2.8
199.14836	5.3
201.16367	12.1
203.17879	9.7
205.19667	2.0
211.14806	2.2
213.16342	7.2
215.17935	10.5
217.19513	9.6
225.16371	2.8
227.17970	4.0
229.19531	4.7
231.21156	9.1
239.18156	1.7
241.19501	2.5
243.21085	6.8
245.22589	3.5
255.21111	2.9
257.22635	5.5
259.24258	1.7
260.23730	2.5
261.22076	2.6
263.23679	3.5
269.22656	5.6
271.24210	25.1
273.25735	2.0
283.24170	1.9
287.23843	1.7
289.25217	6.8
325.25272	1.8
341.28500	2.3
353.24536	2.5
367.33429	2.0
379.26382	2.2
389.26730	1.8
397.27512	3.2
486.00284	1.9
533.47064	5.8
563.39246	2.4
621.56360	1.7
659.50195	2.4
677.51282	7.7
695.52606	15.8
713.53479	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.6
55.01868	12.8
55.05516	31.1
57.03437	18.7
59.04996	5.0
62.52866	3.3
65.03942	7.0
67.05508	100.0
68.04010	3.4
69.03428	5.6
69.07073	14.9
69.92413	14.4
70.06574	3.5
71.04991	8.0
79.05497	95.8
81.03423	13.3
81.07062	62.7
83.04993	26.3
83.05846	3.0
83.08620	11.7
85.02914	13.4
85.06548	6.5
87.04447	2.9
91.05486	48.9
93.07048	100.0
95.04954	19.9
95.08607	34.1
97.06526	16.0
97.10146	3.8
99.08102	5.3
105.07029	32.8
107.04951	25.6
107.08607	38.5
109.02829	3.7
109.06520	5.3
109.10155	38.0
111.04464	21.3
111.08098	11.9
117.07034	18.5
119.08581	25.1
121.06510	7.3
121.10151	52.8
122.61735	2.8
123.11686	4.9
125.09649	9.1
129.06993	6.9
131.08589	26.6
133.10141	14.8
135.11678	45.0
137.09676	3.9
140.62509	3.3
141.08778	3.1
143.08553	4.9
145.06508	6.6
145.10136	35.5
147.11705	10.4
149.09598	7.9
149.13306	7.0
153.12737	9.2
155.08585	8.9
157.10074	6.7
159.11774	6.6
163.11224	32.5
173.09654	16.3
173.13226	5.1
175.11192	3.8
181.12170	16.6
183.11693	5.3
184.07307	6.5
191.10631	15.5
209.11748	7.0
215.17963	24.9
227.12778	15.6
229.14392	8.9
233.19040	17.1
265.14380	31.1
267.16006	5.3
283.15375	60.6
301.16541	33.3
307.22662	79.6
308.23059	7.4
341.20950	4.4
390.42886	4.1
461.32559	9.9
487.34354	4.9
497.32196	5.9
515.33838	25.9
522.47400	3.3
533.34796	49.1
534.13580	3.3
538.66199	3.4
630.93134	4.3
669.75043	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	712.5361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.0
55.05516	7.8
56.05040	2.9
57.07068	4.4
59.05004	9.7
62.95729	1.3
65.03931	1.7
67.05509	14.4
67.21853	1.2
68.05824	1.4
69.07064	7.7
70.06594	2.3
71.08629	2.2
71.51002	1.9
72.94653	1.1
79.05502	13.3
80.05012	1.8
81.03452	1.3
81.07058	18.3
82.06557	6.1
82.07388	1.5
83.08617	5.2
85.02882	1.5
85.10184	1.3
87.04496	1.5
91.05480	21.5
91.18305	1.2
93.07055	12.9
94.06570	22.0
95.04948	2.0
95.07349	6.0
95.08621	11.0
96.08139	2.3
97.02896	1.3
97.10175	1.9
105.07046	14.7
106.06557	3.1
107.07354	1.5
107.08588	4.8
108.08127	8.4
109.10158	5.2
115.05518	2.1
117.07047	8.8
117.09077	1.4
119.08584	11.4
120.08113	1.8
121.10091	2.7
122.09679	5.2
123.11690	1.8
131.08578	8.3
132.08087	3.0
133.08826	2.1
133.10124	7.5
134.09674	7.6
135.11678	2.6
135.55666	1.3
136.11177	1.2
145.10126	5.0
146.09581	2.2
147.10526	2.6
147.11632	2.2
148.11209	4.7
149.13271	2.1
161.13213	1.5
173.13232	2.0
184.07373	1.5
231.21086	11.0
232.20689	1.5
243.21106	8.6
248.23705	10.6
260.23746	100.0
261.24222	2.2
272.25793	3.7
278.24753	7.2
458.90860	1.5
502.46121	5.4
514.46313	11.2
516.47668	2.7
532.47284	23.0
546.19666	1.6
592.70874	1.4
597.48907	2.3
600.50793	6.7
601.89490	1.3
614.48071	1.9
694.52185	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	712.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.7
53.03950	1.4
55.01864	3.0
55.05518	8.6
57.03445	7.0
57.07071	2.0
59.04982	1.3
60.07933	0.6
60.08167	6.8
61.02917	1.1
62.01643	0.7
65.03938	2.3
65.94822	0.7
67.05511	35.2
68.05846	1.1
69.03420	1.4
69.07069	7.3
69.50262	0.6
70.06594	1.2
71.04984	3.4
71.07381	3.3
71.08634	0.9
71.51171	0.9
77.48828	0.8
79.05502	36.8
80.05833	0.8
81.03442	3.5
81.07063	29.4
83.04973	2.3
83.08634	3.8
83.42867	0.6
84.04475	0.9
85.02900	2.6
85.06541	1.3
86.09715	33.1
91.05485	17.0
93.07051	28.5
95.04986	3.7
95.08615	20.9
97.02907	4.4
97.06548	1.8
97.10158	1.3
98.98465	2.8
99.00812	1.0
99.04453	9.0
99.08045	0.9
104.10750	1.7
105.06389	0.9
105.07040	9.4
105.44243	0.7
107.04961	9.4
107.08604	37.1
108.08958	0.9
109.02876	1.1
109.06522	1.3
109.10169	9.0
111.04449	2.1
111.08050	0.9
115.05450	2.8
117.07024	25.0
119.08585	7.9
121.06520	10.4
121.10157	8.9
123.11687	2.5
125.00014	20.0
125.09628	2.2
129.06979	0.7
130.05011	2.6
131.08589	4.2
133.10133	4.1
135.08063	46.6
135.11670	4.5
136.06195	0.7
137.09608	1.8
137.13272	1.1
145.06467	6.3
145.10097	2.6
147.07690	2.0
147.11685	3.0
149.13283	3.8
153.09099	6.1
159.11711	2.8
161.13284	2.2
163.07553	38.7
163.14784	2.0
173.13222	2.5
175.14891	0.8
181.08592	7.9
184.07353	100.0
185.13306	0.8
199.09674	62.1
243.21086	4.5
255.12300	76.6
256.12570	1.4
261.22165	11.2
317.24738	2.1
335.25818	53.5
336.26208	1.3
337.27338	0.9
356.79999	0.8
373.13867	0.8
505.38910	2.6
515.33777	42.5
712.45935	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	712.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.2
54.19059	0.5
55.01882	2.5
55.02076	0.6
55.05511	11.8
57.03444	8.5
57.07045	1.7
61.02904	1.2
65.03904	1.8
65.83405	0.4
67.05508	35.4
69.03393	1.6
69.07070	9.1
69.29844	2.0
69.30268	2.0
71.04987	2.4
73.02913	1.3
77.03936	0.9
79.05497	40.4
80.05811	0.6
81.03423	2.8
81.03805	0.5
81.07062	33.8
83.04994	3.0
83.08626	7.3
85.02873	0.8
85.06502	2.0
91.05488	14.8
93.07051	46.7
95.04977	6.6
95.08611	37.1
96.08906	0.6
97.02914	2.7
97.06520	3.2
97.10135	1.1
99.04433	3.2
99.08123	1.3
105.04472	1.5
105.07040	10.8
107.04959	5.7
107.08601	24.4
109.06500	1.9
109.10159	8.0
111.04426	0.9
111.08070	1.5
117.07023	8.8
119.08586	12.2
121.06541	4.0
121.10150	21.7
123.08116	0.7
123.11678	2.2
125.05971	1.6
127.03767	0.5
129.05481	0.6
129.06996	0.9
130.07779	1.3
131.08565	4.2
133.10149	5.9
135.08121	2.4
135.11697	35.0
136.12029	0.4
137.13190	0.9
139.07524	1.2
139.11176	0.6
143.08527	0.6
145.10132	23.7
147.11728	3.0
149.09584	1.2
149.13293	3.5
153.12798	0.6
159.11690	2.5
161.13200	0.8
163.11191	38.6
173.13240	2.2
178.29068	0.5
178.54390	0.5
181.12250	6.5
184.07443	0.7
187.14792	0.7
191.17981	0.6
194.20525	0.5
205.19524	0.8
209.11734	1.1
215.17958	7.6
227.12796	49.2
233.19035	7.9
273.17468	0.5
283.15411	48.6
284.15778	1.1
307.22690	100.0
308.23138	2.6
395.60587	0.5
505.38266	1.7
506.01318	0.6
515.33722	68.1
516.33893	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.5198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	7.1
55.01875	3.5
55.05515	24.4
57.03444	4.4
57.07076	6.6
59.05005	3.8
65.03948	5.1
65.11275	1.4
67.05508	53.9
68.99914	1.3
69.03436	13.7
69.07072	31.1
69.94881	5.4
71.04965	2.1
71.08633	3.3
73.02932	1.7
79.05498	33.2
81.03429	17.6
81.07062	100.0
83.04990	3.5
83.08621	14.1
85.02915	14.9
85.06541	2.0
91.05490	35.8
93.07052	63.8
95.04989	7.5
95.08615	81.0
97.02897	9.4
97.06546	4.0
97.10172	9.2
98.21492	2.7
99.04474	4.5
105.04549	2.7
105.07040	58.6
107.08598	66.5
108.08904	1.5
109.02960	3.6
109.06539	5.8
109.10162	48.8
111.04472	5.1
111.08118	1.7
111.11726	3.7
115.03999	1.6
115.05438	2.2
117.07022	8.9
119.08587	52.5
121.10142	36.1
123.08127	2.2
123.11707	19.8
125.09643	2.6
127.03928	6.6
128.06247	2.8
129.05579	1.6
129.07034	10.0
130.07835	2.0
131.08571	30.0
133.10135	32.6
135.11694	26.0
135.33594	1.7
137.13266	7.4
141.06973	2.1
142.07831	5.9
143.08582	20.8
144.09334	4.1
145.05064	1.8
145.10132	44.3
147.11690	26.7
149.09631	2.4
149.13272	19.1
151.07460	1.6
151.11223	2.3
151.14830	3.3
155.08537	7.5
156.09373	2.9
157.10153	23.7
157.11327	2.0
158.10901	3.2
159.11694	33.7
159.12865	2.3
161.13258	18.8
163.14857	10.2
169.10133	11.6
171.11710	17.2
173.09615	1.5
173.13289	23.6
175.11217	2.1
175.14803	14.3
177.16464	6.9
181.10222	4.8
183.11693	12.2
184.07426	5.7
185.13278	11.9
187.14845	11.6
189.16420	10.9
191.17996	4.4
195.11798	6.7
197.13211	7.2
199.14835	13.7
201.16489	9.3
203.18005	6.9
205.19521	2.3
207.11868	2.0
209.13275	5.2
211.14914	8.7
213.16383	12.0
215.17935	9.2
217.19666	4.7
223.14946	3.2
225.16417	4.6
227.18015	6.6
229.19611	5.3
231.17499	1.9
231.21150	3.0
235.14941	1.9
237.16544	2.6
239.18047	4.6
241.19592	4.8
243.21187	6.5
245.22736	1.8
251.18062	1.8
253.19612	4.0
255.21140	6.7
257.22751	4.3
265.19571	2.1
267.21118	4.1
269.20093	2.0
269.22623	11.1
271.24188	2.1
281.22620	1.9
283.24210	2.9
287.23721	1.7
295.24243	2.3
299.27600	1.8
309.25912	3.0
313.25238	1.8
315.26923	1.6
323.23883	2.0
323.27448	2.3
381.31735	1.8
391.29825	1.8
465.16431	1.6
477.32260	2.1
492.92065	1.6
531.45581	4.3
549.46857	4.8
553.37329	1.7
589.41260	2.8
631.61426	1.7
657.48712	4.7
675.49982	8.3
693.50891	27.1
711.52026	71.0
712.52185	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	711.5193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.3
55.01857	2.4
55.05318	2.1
55.05513	24.4
57.07083	2.7
65.03930	3.0
67.05511	57.3
69.03429	15.1
69.07074	31.3
70.76106	5.4
79.05501	39.2
81.03422	14.4
81.07063	100.0
83.04996	2.9
83.08622	11.8
85.02901	13.9
87.72997	2.2
91.05480	39.2
91.75004	2.1
92.05804	2.2
93.06487	4.6
93.07053	71.3
95.04962	6.8
95.08614	86.3
97.02902	9.4
97.10162	8.4
99.04459	2.8
105.07040	55.2
107.08607	57.8
109.02863	4.5
109.06542	3.5
109.09467	4.4
109.10164	53.0
111.11754	2.9
116.15273	2.8
117.06984	11.7
119.07807	4.3
119.08592	55.6
121.10158	45.1
123.08054	3.6
123.11734	24.8
127.03926	5.5
129.07028	5.9
131.08600	29.1
133.06502	3.9
133.10149	38.9
135.11716	29.8
137.13235	6.0
143.08601	12.0
145.10129	38.7
147.11722	27.8
149.13287	29.0
155.08516	5.2
157.10136	18.0
159.11711	38.4
161.09599	2.3
161.13260	25.8
163.11191	2.8
163.14836	14.9
169.10127	9.2
171.11678	9.8
173.13271	21.3
175.14909	17.1
177.16388	7.3
181.10081	2.9
183.11703	7.0
185.13260	8.8
187.11153	2.7
187.14832	16.9
189.16432	16.2
191.17934	5.9
195.11650	3.0
197.13234	8.7
199.14870	9.3
201.16357	15.3
203.17950	9.0
211.14732	3.3
213.16414	5.6
215.17966	10.6
217.19478	11.8
225.16452	3.8
227.18060	5.6
229.19556	4.8
231.21245	5.0
239.18005	3.1
241.19510	3.8
243.21141	5.2
255.21106	5.9
257.22849	2.2
261.22275	3.8
269.22742	3.4
271.24243	20.6
283.20517	3.1
289.25098	4.2
297.22180	2.4
299.23810	2.6
371.96786	2.4
379.26270	3.1
531.45886	3.6
549.46387	2.8
634.80518	2.3
675.49817	3.9
681.97791	2.6
693.51154	18.2
711.52057	32.3
712.52423	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	710.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70620	0.3
57.34561	0.3
59.05003	100.0
60.05340	0.6
67.33263	0.3
69.03418	0.7
70.06596	2.3
70.38354	1.1
71.04997	0.8
71.06936	0.4
72.08160	0.5
73.02910	2.7
73.06561	6.0
75.79260	0.3
84.08140	1.0
85.02914	0.4
86.09709	1.1
87.04474	15.0
89.06035	85.9
90.06400	0.6
91.07619	0.5
103.07586	80.2
104.07876	0.5
107.07081	1.5
113.06012	1.2
115.07618	0.4
117.09136	5.5
129.10216	0.5
131.07037	4.5
133.08607	53.1
134.08910	0.6
135.10138	0.5
147.10168	33.1
148.10493	0.4
157.08540	0.4
159.10204	0.5
161.11722	1.4
175.09656	2.5
177.11229	17.3
179.25700	0.3
188.98439	0.3
191.12787	2.0
219.12300	0.7
221.13826	2.8
235.15211	0.4
239.14906	0.5
241.56796	0.3
265.16388	0.9
283.17459	0.7
309.19043	0.6
353.21375	0.4
620.93005	0.3
693.42688	1.6
710.45422	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	710.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.9
55.05516	14.3
57.03438	12.1
57.07074	2.4
59.04993	2.6
60.12306	0.9
61.02917	1.0
65.03934	4.0
67.05510	63.8
68.05840	1.2
69.03428	2.3
69.07073	10.6
70.56955	1.9
71.05003	2.5
79.05497	31.4
81.07062	48.7
82.07376	0.9
82.67949	0.9
83.04973	3.6
83.08636	6.5
83.68710	0.8
85.02890	2.2
85.06512	1.4
91.05486	96.2
92.05830	1.0
93.07050	35.3
95.04982	5.2
95.08612	30.4
96.08917	1.5
97.02870	1.6
97.06529	2.6
97.10144	1.8
105.07037	45.7
106.07368	1.1
107.08606	17.4
109.06500	2.3
109.10181	14.1
115.05424	1.3
117.07018	6.2
119.08585	11.8
121.10150	14.9
123.08076	1.5
123.11699	6.4
128.06204	3.0
131.08580	9.6
133.10141	100.0
134.10457	1.0
135.11676	10.3
137.09570	1.1
137.13231	1.0
143.08585	5.0
145.10120	6.1
147.11703	4.4
149.13272	5.9
151.11227	5.5
155.06143	1.1
159.11687	4.4
159.26637	1.2
161.09628	13.1
161.13275	3.2
163.11206	1.4
163.14777	1.0
171.11658	1.3
173.13251	3.9
175.14767	2.1
179.10626	1.5
184.07310	1.0
185.13174	1.1
187.14804	1.6
189.16472	1.1
197.11723	2.3
199.14897	1.5
220.00192	1.1
243.21031	2.9
251.12790	2.0
253.14366	49.8
261.22089	6.9
269.22684	1.0
305.88242	1.1
317.24707	2.4
335.25824	99.7
336.26199	1.9
421.31113	1.4
513.35797	67.0
514.35919	3.3
556.41034	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.3
56.05037	0.7
58.06630	0.4
60.04517	0.1
60.08166	6.4
67.05497	0.3
69.07077	0.2
70.06593	1.5
70.67582	0.4
71.06986	0.2
71.07376	3.6
72.08150	0.5
72.31076	0.1
79.05473	0.3
79.71302	0.1
81.07054	0.2
84.04510	0.3
84.08140	0.5
86.09708	32.6
87.10031	0.2
91.05489	0.2
93.07037	0.3
94.01588	0.1
97.06516	0.1
98.98472	3.7
104.10748	2.8
105.07005	0.1
107.08596	0.2
115.08640	0.1
117.06975	0.1
120.08105	0.3
123.54805	0.2
125.00009	21.8
129.10265	0.2
143.01166	0.1
166.06270	0.2
184.07344	100.0
185.07689	0.6
223.66533	0.1
319.89996	0.1
427.87979	0.1
710.35101	6.7
711.35504	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
55.01876	0.8
56.05037	0.7
60.04525	0.5
62.87566	0.5
63.02394	0.4
63.67163	0.4
64.84502	0.4
67.05504	1.2
68.05025	1.0
69.03433	1.9
69.99965	0.9
70.00386	1.3
70.02969	0.5
70.06598	4.4
72.08161	2.2
79.05495	1.0
81.03423	4.4
83.04996	0.4
84.04504	2.5
84.08143	2.7
85.02900	2.3
86.09724	1.0
89.03918	10.3
91.05478	3.7
93.07079	0.5
94.06573	2.3
95.04978	3.3
96.04502	1.6
97.02907	0.8
98.06046	1.0
99.04481	0.4
103.05493	1.5
105.03385	0.7
105.07041	0.5
107.04961	1.2
109.02866	2.3
110.06072	1.0
112.03977	7.6
112.07614	1.1
114.05533	3.1
117.03387	30.4
119.04956	6.3
121.06538	0.8
122.06049	3.1
123.04427	5.4
124.05267	0.6
126.05504	0.4
127.03949	0.8
129.10204	2.0
131.04927	0.8
133.02876	4.7
133.06497	0.8
134.03627	2.0
135.04430	2.1
136.07620	0.7
137.05983	6.5
140.07077	12.7
141.05507	0.9
143.04895	0.6
145.02856	71.2
146.03603	0.6
147.04416	7.2
148.05133	0.4
149.05998	11.6
149.71027	0.4
150.06757	1.3
151.07584	2.2
157.07426	0.6
158.06044	0.6
158.08141	10.9
160.64206	0.4
161.02382	0.6
161.06007	2.5
162.06787	1.6
163.03947	1.3
165.05553	0.5
173.06076	0.7
175.03935	4.9
176.04704	0.7
176.09190	10.5
177.05482	100.0
178.05815	1.3
179.03435	0.6
179.07031	8.9
180.07803	0.8
186.05482	0.9
192.06587	0.8
193.04948	0.7
194.05765	11.7
194.07571	0.6
201.05482	8.6
213.05482	0.8
231.06541	1.2
233.05933	1.1
265.08575	0.6
277.08142	0.7
290.05536	0.5
292.07181	0.4
293.08167	0.6
305.08014	1.8
307.09164	0.7
320.08899	2.7
321.09631	1.3
325.10712	6.1
337.10733	5.2
338.10043	3.2
339.10693	1.2
341.10086	0.6
355.11752	8.0
356.11081	2.6
373.12823	8.7
462.38040	0.4
469.14938	0.4
499.15723	0.7
513.18353	2.6
514.19012	0.8
517.17072	1.0
535.18109	3.5
548.21326	0.5
662.24597	2.4
671.20190	0.4
674.24072	0.7
692.25549	1.3
710.26404	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01612	1.3
50.78344	1.1
51.02385	1.9
53.03946	9.2
55.01871	2.7
55.05272	2.0
55.05521	28.7
57.03432	4.0
57.07068	3.7
59.04998	3.0
61.02924	1.7
65.03968	6.1
67.05516	65.6
67.66931	1.2
69.03438	15.0
69.07078	31.1
70.06583	1.0
70.90183	3.4
71.01365	1.8
71.05031	2.6
71.08642	2.5
73.02923	2.8
74.36628	1.2
77.03938	2.5
79.05505	47.0
81.03436	19.0
81.07069	100.0
83.05003	7.2
83.08632	13.8
85.02910	15.9
85.06569	1.4
87.04484	2.5
91.05493	40.6
93.07058	74.4
95.04974	7.4
95.08621	82.9
96.08949	2.0
97.02904	8.2
97.06564	4.0
97.10175	8.2
99.04477	4.3
99.08108	1.9
103.03964	1.9
103.05471	2.9
105.04561	2.3
105.07047	64.0
107.08611	66.7
109.02927	6.8
109.06548	4.1
109.10172	55.0
111.04487	4.7
111.08074	1.8
111.11752	2.4
115.05483	2.9
116.06237	1.4
117.07026	15.3
119.08598	63.7
121.06552	2.4
121.10162	47.5
123.04461	1.5
123.08106	1.9
123.11720	20.3
125.09665	1.3
127.03937	6.5
128.06250	4.7
129.05516	2.1
129.07024	14.9
129.07913	1.7
130.07890	1.8
131.08586	37.1
132.08188	1.1
133.06531	1.5
133.10152	34.2
135.08141	1.6
135.11711	25.0
137.09709	2.3
137.13269	6.5
141.07030	6.9
142.07822	7.9
143.08575	29.9
144.09428	2.7
145.05006	1.4
145.10143	46.9
145.61565	1.2
147.08031	1.6
147.11705	27.3
149.09662	1.9
149.13269	22.6
151.14867	1.8
153.07109	1.3
154.07832	2.0
155.08589	14.4
156.09419	5.1
157.10168	29.6
158.10916	2.0
159.08153	1.7
159.11717	39.1
161.09651	2.0
161.13283	19.2
163.11292	1.4
163.14868	11.3
165.07059	3.0
165.12744	1.3
166.07803	1.3
167.08644	3.3
168.09442	2.2
169.10150	18.9
170.10919	2.5
171.11702	25.5
172.12497	2.0
173.13290	25.7
173.14685	1.8
175.14861	15.5
177.16505	5.2
179.08603	2.3
180.09399	1.9
181.10187	9.3
182.10963	2.6
183.11711	18.3
184.07445	1.9
184.12450	1.8
185.09746	1.8
185.13272	18.5
187.14845	17.4
189.16400	9.2
191.18005	4.3
193.10190	3.3
194.10954	1.3
195.11745	11.8
196.12503	2.2
197.13283	16.3
199.14865	17.8
201.12961	1.1
201.16429	10.5
203.18088	6.3
207.11783	5.1
208.12608	1.2
209.13229	7.9
211.14891	11.6
213.12959	1.4
213.16383	12.7
215.18008	8.1
217.19643	4.2
219.11685	2.3
221.13358	4.3
221.15395	1.6
222.14694	1.4
223.14873	7.2
225.16417	7.7
227.18028	8.7
229.19647	4.7
233.13266	2.0
235.14992	3.1
237.16415	6.5
239.18057	5.1
241.19519	6.4
243.21169	3.6
245.22540	2.0
249.16405	2.7
251.18050	4.6
253.19524	6.0
255.21243	4.1
257.22751	3.8
259.20816	1.6
259.24200	1.2
261.22400	1.7
263.18079	2.2
265.19669	3.5
267.21179	4.9
269.20068	1.5
269.22644	9.2
271.21045	1.2
271.24356	4.3
273.22357	1.7
279.21246	2.7
281.22797	2.5
283.24237	2.7
286.13800	1.2
293.22745	2.7
295.20422	1.4
295.24316	1.8
297.25699	2.6
299.23859	1.4
301.21942	1.9
307.24301	1.4
309.25977	2.0
311.23901	2.2
313.25076	1.3
319.24350	2.5
321.22388	1.4
321.25797	1.9
323.23828	2.1
323.27560	2.1
325.25378	1.7
327.27112	2.2
337.25232	1.9
339.26987	1.5
341.24969	1.5
349.25314	1.6
351.26935	2.3
363.30701	1.6
365.28732	1.5
393.31958	1.5
403.30197	1.8
405.31879	1.9
471.31711	1.4
488.57904	1.5
529.44318	7.4
537.38141	1.7
543.36615	1.5
547.45343	4.5
609.41077	1.5
627.42590	2.0
655.47455	4.7
673.48730	5.6
691.49536	25.9
709.50543	71.2
710.50934	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	709.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	2.5
53.03950	7.0
54.49901	1.4
55.01870	5.5
55.05268	2.2
55.05515	27.7
57.03434	5.1
57.07065	5.7
59.04998	6.3
65.03945	5.8
67.05512	66.1
69.03439	13.2
69.06725	2.2
69.07076	27.6
71.01377	1.7
71.04984	4.3
71.08625	2.5
73.02916	2.1
78.86887	1.3
79.05499	52.6
81.03427	24.4
81.07065	100.0
82.48914	1.3
83.04987	5.2
83.08627	12.3
85.02926	12.5
91.05490	47.2
93.07053	76.9
95.04967	11.6
95.08616	73.1
97.02905	11.1
97.06519	5.3
97.10172	7.5
98.02428	1.5
98.98486	4.2
99.04450	3.2
99.08076	1.7
103.03934	2.1
103.05406	3.0
105.04522	2.6
105.07042	71.5
106.07364	2.1
107.04951	2.9
107.08604	65.7
109.02891	7.3
109.06511	5.2
109.10168	43.7
111.04455	4.8
111.08091	2.9
111.11740	2.9
115.03895	1.8
115.05485	3.5
116.06245	2.2
117.07043	20.0
119.08595	58.7
121.06487	3.6
121.09331	2.7
121.10155	42.8
123.04456	3.0
123.08094	4.8
123.11719	17.0
125.02398	1.7
125.09632	2.6
127.03921	4.6
128.06227	4.3
129.05536	2.5
129.07025	15.4
130.07809	3.4
131.08585	41.8
133.10146	42.8
135.08070	4.4
135.11703	29.7
137.09596	1.9
137.13268	3.8
141.07004	4.9
142.07816	6.1
143.08571	20.0
144.09337	3.3
145.10129	43.4
147.04422	1.8
147.08055	2.5
147.11697	38.1
149.09633	4.5
149.13263	22.5
151.11183	3.5
155.08583	6.4
156.09340	5.1
156.46954	1.4
157.10153	25.4
158.11006	1.5
159.08064	2.3
159.11707	43.9
161.09610	1.6
161.13272	24.7
163.11269	3.5
163.14868	8.6
165.12750	2.5
167.08592	3.0
169.10144	13.5
170.10886	1.6
171.11716	24.7
173.09583	2.5
173.13274	23.1
175.11115	1.9
175.14824	16.1
176.01949	1.4
177.16415	3.9
181.10124	5.4
182.10834	2.3
183.11719	13.1
184.12584	1.8
185.13310	16.3
187.14838	18.6
189.16396	11.0
193.10226	2.2
194.10947	1.6
195.11664	7.5
197.13268	9.9
199.14828	15.5
201.16382	15.2
203.14394	1.7
203.17982	5.3
209.13290	4.9
210.14075	1.9
211.14934	8.2
213.13089	1.8
213.16391	18.9
215.17892	9.6
217.15901	1.5
217.19556	2.5
221.13196	2.4
223.14812	4.8
225.16396	5.9
227.17979	8.5
229.19543	8.9
231.21082	2.3
235.14923	3.0
237.16325	4.8
239.17921	3.8
241.19545	4.2
243.21162	2.0
251.17929	2.1
253.19569	4.7
255.21065	5.6
261.22189	5.9
267.21091	4.5
269.22647	36.8
271.20709	1.6
271.24127	4.1
281.22678	2.6
283.15384	2.0
285.22098	3.6
287.23700	5.1
288.24176	1.5
297.22256	3.0
299.23807	1.9
307.24036	1.6
311.26050	2.0
325.24969	1.7
357.38855	1.4
377.24905	1.9
395.25836	2.5
400.91394	1.5
465.35782	5.9
482.45166	2.0
519.37006	1.8
529.44116	2.5
537.37610	5.4
547.45233	3.0
651.45215	2.3
673.47961	4.3
691.49127	18.3
709.50629	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80506	1.4
51.02369	2.0
53.03946	7.1
53.15553	1.6
55.01865	5.8
55.05277	1.8
55.05515	26.7
57.03416	4.3
57.07059	5.4
59.04993	6.2
65.03938	4.3
67.05506	62.8
69.03434	13.1
69.07069	29.3
69.36829	3.9
69.37243	8.5
71.04984	4.2
71.08624	2.8
73.02921	2.1
79.05020	1.8
79.05492	45.4
81.03415	23.4
81.07057	100.0
83.04971	5.2
83.08623	18.2
85.02912	12.9
87.04447	2.1
89.06023	1.5
91.05480	44.5
93.07046	68.2
95.04975	10.0
95.08607	57.3
96.32250	1.4
97.02896	10.8
97.06506	4.2
97.10197	7.4
98.98448	4.5
99.04443	3.2
103.05437	2.0
105.04487	2.5
105.07034	63.5
107.04941	1.8
107.08597	62.6
109.02872	5.0
109.06524	4.9
109.10152	44.3
111.04436	4.5
111.08076	2.4
111.11723	2.8
115.02346	1.6
117.07003	13.5
119.08580	57.2
121.10146	43.6
123.08143	2.1
123.11711	15.0
125.04382	1.4
125.09612	2.2
127.03900	5.9
128.06198	3.4
129.07011	10.0
130.07758	3.9
131.08571	29.8
133.10136	37.6
134.84192	1.6
135.11694	24.9
137.09615	3.4
137.13252	4.3
141.07030	3.2
142.07764	5.6
143.08557	19.7
144.09338	3.8
145.10133	42.1
147.11699	34.6
149.13261	15.7
153.99921	1.7
154.07750	1.8
155.08551	5.4
156.09319	5.8
157.10124	24.0
159.10477	2.6
159.11710	42.3
161.09576	2.1
161.13246	23.4
163.11163	4.6
163.14865	9.0
165.12625	1.8
167.08612	1.9
169.10103	6.8
170.10976	1.9
171.11688	21.8
173.09595	1.9
173.11787	3.0
173.13254	24.2
175.11258	2.3
175.14839	17.4
177.16405	5.3
181.10078	2.5
183.11687	6.5
184.07346	2.9
184.12323	1.8
185.13242	19.0
187.14763	13.7
189.16409	6.8
191.10561	1.9
195.11633	4.1
197.13235	6.0
199.14816	14.8
201.16418	14.8
203.17934	2.4
209.13266	4.2
211.14830	6.2
213.16394	19.4
215.17912	6.5
215.86940	1.7
217.19569	1.8
223.14769	2.7
225.16379	5.2
227.12714	1.8
227.17955	12.5
229.19563	7.4
237.16324	2.1
237.22136	2.8
239.14293	1.5
239.17839	3.4
241.19511	6.0
243.21158	2.6
249.16342	1.8
251.17931	1.5
253.19647	4.0
255.21095	3.3
257.22693	2.2
261.22067	4.7
267.17319	1.8
267.21039	6.3
269.22650	35.1
271.24197	4.7
273.22086	2.8
281.22693	1.6
285.22131	3.3
287.23724	9.3
311.25851	3.3
351.23145	2.3
395.25427	2.6
413.26501	2.1
465.35843	17.4
529.43689	3.5
537.37915	10.1
673.47974	3.7
691.49548	11.8
694.11292	1.8
709.50488	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	1.1
51.02374	1.3
53.00337	1.0
53.03949	7.8
55.01867	2.2
55.05513	32.6
57.03440	4.8
57.07076	3.6
65.03926	5.8
67.05507	59.1
69.03434	12.2
69.07072	31.7
70.81117	2.9
71.04990	2.6
71.08656	1.4
73.02917	3.0
77.03917	2.1
79.05157	0.7
79.05496	45.6
81.03416	17.1
81.07061	100.0
83.04993	4.5
83.08612	12.6
85.02906	16.0
85.06531	1.5
87.04488	2.1
91.04900	2.1
91.05486	50.5
93.07050	74.8
93.86098	1.4
95.04960	7.2
95.08612	78.6
97.02893	8.6
97.06560	3.1
97.10168	6.6
99.04465	4.6
103.03961	1.3
103.05502	3.6
103.85146	1.6
105.04562	2.6
105.07036	62.6
107.04969	2.4
107.08601	72.7
109.02898	5.3
109.06513	3.9
109.10164	49.9
111.04478	3.5
111.08099	2.3
111.11725	2.7
115.03954	1.6
115.05470	2.3
117.07024	20.6
119.06177	1.3
119.08591	59.5
121.06552	1.7
121.10143	42.7
123.08058	2.8
123.11716	20.6
125.09638	1.4
127.03935	8.4
128.06258	5.7
129.05563	1.8
129.07025	12.2
130.07825	3.4
131.08574	37.8
133.10138	37.5
133.11099	2.2
135.11705	24.6
137.13257	7.1
141.07007	4.5
142.07820	6.5
143.08571	25.9
144.09386	2.9
145.10133	48.0
147.08102	1.3
147.11694	29.7
149.13268	18.1
151.14853	1.5
153.07088	1.4
154.07832	2.0
155.08540	11.8
156.09392	5.0
157.10139	30.1
157.11322	2.2
158.10909	2.7
159.08107	2.3
159.11697	41.3
161.09737	1.4
161.13281	19.2
163.11191	1.2
163.14838	9.9
165.07059	2.6
167.08551	6.0
168.09377	2.0
169.10143	20.3
170.10915	2.4
171.11697	22.9
172.12445	1.7
173.13255	21.8
175.11314	1.4
175.14832	13.8
175.16084	1.3
177.16460	5.4
179.08646	2.2
180.09436	2.4
181.10138	9.0
182.10970	3.1
183.11729	17.5
185.13266	20.4
187.14827	13.2
189.16386	7.6
191.10741	1.3
191.18015	2.6
192.09467	1.2
195.11714	10.2
196.12476	1.6
197.13257	14.9
199.11307	1.4
199.14861	17.6
201.12737	1.4
201.16393	12.6
203.18039	7.1
207.11775	3.1
209.13274	9.8
211.14842	12.9
212.15541	1.7
213.16393	13.2
215.14421	1.8
215.17982	8.1
217.19635	4.4
219.11769	1.5
221.13333	4.9
223.14861	8.9
225.16356	9.7
227.17964	8.8
229.19574	3.9
231.21227	2.4
233.13354	2.5
235.14713	2.9
236.15442	1.3
237.16447	5.4
239.18010	7.7
241.19637	4.3
243.21188	3.3
245.18938	1.3
249.16437	1.6
251.18044	5.5
253.19653	4.6
255.21153	4.5
257.22736	2.9
259.20471	1.3
261.22302	1.4
263.17938	3.0
265.19659	1.4
267.21182	3.3
269.20071	2.0
269.22552	8.3
271.20624	2.1
271.24283	3.3
273.21985	1.4
279.21085	1.9
281.22766	2.4
283.20862	1.2
283.24359	3.3
285.22253	2.0
285.25882	1.2
295.24332	3.1
309.22278	1.8
309.25690	1.9
311.23868	1.6
313.25015	1.8
321.25909	2.5
323.23691	1.4
325.28867	1.4
333.26025	2.0
337.25244	1.5
349.25302	2.6
351.26797	2.1
353.28531	1.3
445.29437	1.5
475.30646	2.3
489.32730	1.5
505.31354	1.9
527.42865	1.6
529.43970	3.1
547.45355	3.6
569.38550	1.7
599.39264	1.8
645.22839	1.4
655.47668	2.9
673.48248	6.0
691.49286	24.5
692.49701	2.4
709.50403	72.4
710.50818	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	709.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95224	1.8
53.03945	11.1
55.01873	2.4
55.05518	31.3
57.03444	4.5
57.07074	4.0
59.20048	1.7
62.30333	1.7
65.03957	4.6
67.05513	64.3
69.03445	15.7
69.07072	32.7
69.07430	3.3
69.91563	9.1
71.04998	4.7
71.08629	3.3
71.20235	1.8
79.05499	44.2
81.03428	14.8
81.07066	100.0
83.04998	4.4
83.08620	12.7
85.02463	2.5
85.02910	14.6
91.05487	43.6
91.06022	3.5
93.07054	69.3
95.04988	7.2
95.08614	87.3
97.02902	10.4
97.06561	4.0
97.10198	9.2
99.04453	4.9
102.68458	2.0
103.05492	2.8
105.04543	3.9
105.07042	63.8
107.08604	63.2
107.09308	3.8
108.12134	2.0
109.02896	6.4
109.06560	4.5
109.10164	51.1
110.10547	2.0
111.04481	5.9
111.08160	2.0
111.11725	2.6
115.05510	2.7
117.07038	12.2
119.08597	64.2
121.10152	44.6
123.08098	5.1
123.11699	20.5
127.03964	7.6
128.06262	5.2
129.05484	2.0
129.06995	12.4
131.08585	38.3
133.10149	34.9
135.11703	25.5
137.13297	6.1
141.07033	3.9
142.07822	7.2
143.08595	27.4
145.10127	41.2
145.11166	3.1
147.11699	30.6
149.09651	3.0
149.13275	17.4
154.07768	2.4
155.08583	13.5
156.09381	4.2
157.10141	32.9
158.10933	2.7
159.11720	38.4
161.13242	19.9
163.14850	9.9
166.07454	2.1
167.08698	3.9
168.09294	2.0
169.10144	16.0
171.11716	26.6
173.13249	21.3
175.14822	13.4
177.16460	6.5
180.75638	1.9
181.10205	7.8
182.11017	3.2
183.11691	16.9
183.77652	1.9
184.07451	2.8
184.12520	2.9
185.13280	19.5
187.11252	2.5
187.14839	14.9
189.16438	8.6
191.17879	2.3
195.11769	8.5
196.12630	2.1
197.13249	16.2
199.14854	16.2
201.16423	13.9
203.18025	8.7
207.11786	3.5
209.13335	8.6
211.14856	11.9
213.12627	2.6
213.16418	15.2
215.17996	6.9
217.19611	6.8
221.13345	4.8
223.14969	5.7
225.16348	12.2
227.18015	7.6
229.19591	4.9
237.16495	5.7
239.13910	2.0
239.17880	4.1
241.19655	6.0
243.21176	4.0
245.19228	1.9
249.16536	2.7
251.18106	2.6
253.19653	6.7
255.21152	6.5
257.22763	2.9
260.26346	2.0
265.19775	2.8
267.21274	6.1
269.22617	10.0
271.24228	3.0
281.22821	3.4
293.22778	2.8
295.24323	3.0
321.26108	2.1
323.27383	2.3
325.25217	2.2
377.28308	2.5
398.36136	2.0
519.33191	2.7
529.44495	5.2
547.45422	4.0
573.38318	3.6
581.38995	2.1
627.43103	2.9
641.44183	2.2
653.44080	2.5
655.46918	5.1
673.48303	6.6
691.49365	28.9
692.50018	2.4
709.50574	74.3
710.51007	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	706.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13010	0.6
51.13423	0.4
54.28569	0.4
57.07246	0.4
67.05367	1.0
69.17107	4.5
71.04865	0.5
79.05357	0.8
81.03290	0.6
81.06906	0.9
81.07317	0.5
83.08492	0.5
86.09568	0.9
87.04294	1.9
91.05339	0.8
93.06929	1.0
95.08468	0.9
97.06368	0.4
105.06841	1.3
107.08424	0.7
133.09863	0.5
140.92450	0.4
142.40833	0.5
166.07059	0.8
184.07352	5.4
249.10085	0.5
255.99246	0.5
263.11639	0.8
263.99365	0.4
315.64490	0.5
391.19275	0.6
417.15945	1.7
418.16632	1.8
419.17758	0.6
429.16699	0.5
431.17517	1.7
432.18100	5.2
433.19775	0.8
435.21240	0.5
446.20239	9.1
447.20251	2.0
459.20718	1.0
460.17279	3.4
460.21454	3.3
461.21533	1.5
462.22873	0.5
474.18430	6.3
475.19919	4.6
476.20816	0.6
488.20084	1.2
488.24301	2.3
489.21252	1.6
489.25650	0.7
490.22137	1.8
491.24866	0.6
500.24554	2.1
502.22168	4.8
503.25500	0.8
516.24316	3.2
517.24823	8.2
518.25488	1.2
530.22186	2.1
531.25879	0.7
532.27252	6.3
533.25818	0.6
544.23248	0.6
545.24261	10.5
546.24890	3.9
548.26007	1.6
549.24762	1.9
559.25842	0.7
560.26587	23.0
561.26324	1.5
562.24988	1.7
576.25818	2.6
590.28595	2.0
604.29193	4.8
618.30725	10.0
619.31732	6.7
632.28729	20.1
633.29340	0.6
646.30170	3.4
647.31018	64.8
648.31586	3.4
706.32385	100.0
707.32666	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	704.4499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.5
56.05041	1.1
57.03450	0.2
57.07074	0.4
58.06626	0.4
59.05006	0.7
60.08168	7.1
67.05509	1.2
67.97626	0.2
69.07076	0.5
69.66243	0.9
70.06594	0.3
71.04993	0.2
71.07378	3.9
71.08631	0.3
79.05502	0.4
80.04980	0.2
81.07069	1.1
83.08635	0.1
86.09712	34.6
87.04478	0.2
87.10020	0.1
89.06047	0.3
91.05480	0.4
93.07061	0.6
95.04980	0.1
95.08611	0.8
98.06065	0.4
98.21504	0.2
98.98474	3.7
100.04605	0.1
104.10751	3.2
105.07058	0.3
107.08629	0.3
109.10174	0.6
110.06046	0.2
111.30049	0.2
117.09138	0.2
117.60818	0.1
119.08628	0.4
120.43467	0.1
121.06506	0.1
121.10162	0.3
125.00014	21.6
128.07144	0.2
131.08517	0.2
133.08620	0.3
133.10172	0.3
135.11786	0.4
136.06157	0.2
143.01060	0.2
145.10124	0.2
173.13063	0.2
174.01671	0.2
184.07352	100.0
185.07742	0.6
234.14992	0.2
240.88750	0.1
252.16005	0.2
360.15979	0.2
409.20169	0.3
410.20364	0.5
425.22614	0.3
491.37152	0.4
496.33813	0.3
511.26840	0.2
512.27173	0.6
521.38562	0.2
542.24066	0.3
545.39380	0.2
556.26172	0.4
599.27545	0.5
600.29163	0.2
619.90448	0.2
626.25916	0.2
654.25739	0.4
686.29065	1.4
704.29767	2.3
704.44397	11.6
705.30286	0.2
705.44501	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.5296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.7
55.01878	2.1
55.05512	17.5
57.03437	4.7
57.07066	4.3
61.02917	2.9
62.46828	1.4
65.03945	3.2
65.37107	1.5
67.05508	46.4
69.03435	17.2
69.07069	27.9
69.20275	17.2
69.20613	2.9
71.04998	1.9
72.08141	5.4
73.02911	2.3
79.05496	29.4
81.03409	7.9
81.07060	95.3
83.05008	3.5
83.08617	13.5
85.02909	21.0
87.04473	1.7
91.05477	34.8
93.07050	62.7
93.07642	3.0
95.04981	7.3
95.08611	100.0
97.02903	7.1
97.06547	3.2
97.10168	5.0
99.04495	4.1
103.03883	1.8
103.05511	2.1
105.04531	3.1
105.07036	56.5
107.08601	80.0
109.02883	4.0
109.06528	3.7
109.10161	63.9
111.04482	2.1
111.11726	3.4
115.05464	3.0
117.07025	11.9
119.08585	65.2
121.10146	56.9
123.11710	29.0
127.03951	4.5
128.06255	4.0
129.05492	2.0
129.07034	6.0
131.08569	25.1
133.10132	48.0
135.08058	2.5
135.11699	40.1
136.12039	1.7
137.13249	8.5
141.07022	2.2
142.07825	5.5
143.08562	11.7
144.09387	2.0
145.04970	2.2
145.10133	36.9
147.11690	39.4
147.12796	2.4
149.09683	2.8
149.13274	31.4
149.14400	2.6
151.14850	2.8
155.08580	3.7
156.09375	5.0
157.10130	21.7
158.10913	3.7
159.11702	44.9
161.06180	1.8
161.09567	2.4
161.13266	32.5
162.13577	2.2
163.11229	1.8
163.14815	16.2
167.08577	2.3
168.09390	2.5
169.10121	9.6
170.10931	1.7
171.11674	19.2
173.13268	29.2
175.14824	28.3
177.16414	14.7
181.10106	1.9
183.11678	11.1
184.12221	1.7
185.13258	16.2
187.14836	15.4
189.16403	17.8
191.18010	5.9
193.10278	3.4
195.11751	4.5
196.12569	1.9
197.13318	12.1
198.13948	2.0
199.14861	13.3
201.16405	19.2
203.17931	18.0
209.13298	6.8
211.14844	8.2
213.16406	14.0
215.17955	15.3
217.19548	9.6
221.13441	2.2
223.14883	4.0
225.16496	4.4
227.17993	11.7
229.19501	10.6
231.21088	3.5
235.14996	2.9
237.16399	2.9
239.18036	6.2
241.19559	8.1
243.21136	10.5
245.22781	4.3
251.17944	2.7
253.19615	3.9
255.21138	10.1
257.22748	6.3
265.19608	2.8
267.21194	5.4
269.22726	6.6
271.24265	6.4
279.21057	2.8
281.22736	4.9
283.24289	5.9
285.25766	1.9
297.25934	2.8
299.27304	1.7
309.25845	4.0
323.27484	4.7
335.27640	1.9
337.28928	3.2
349.28683	2.4
350.98767	1.8
351.30630	3.8
365.32281	2.0
391.33676	3.3
406.80307	2.0
429.34973	2.4
431.36737	2.2
485.41214	1.9
498.02444	2.2
499.33923	1.9
539.45990	2.8
541.47699	17.8
553.47174	2.5
558.09412	1.8
593.41864	1.8
667.50677	5.8
685.52026	5.9
703.52930	81.6
704.53540	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	703.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.3
67.05516	2.5
69.03435	0.6
69.07071	0.7
69.72978	2.5
69.73390	0.9
69.82568	0.4
71.04990	0.4
79.05505	1.4
81.07056	1.8
86.09692	0.7
91.05492	1.3
93.07052	2.0
95.04991	0.8
95.08643	1.0
105.07071	1.3
109.41119	0.5
117.07040	0.5
120.08121	0.5
121.10224	0.5
122.09703	0.6
131.08604	1.0
133.10127	0.7
146.09682	0.5
147.04449	0.8
147.11713	0.7
165.06941	0.5
172.07585	0.6
182.08278	0.7
182.09694	0.6
183.09120	0.5
184.07359	2.8
194.08328	0.7
195.09222	1.4
196.09930	1.2
197.07114	0.8
197.10748	1.1
197.56033	0.5
207.09216	1.5
208.09836	0.9
209.10771	6.7
210.11563	1.9
211.08748	1.2
211.12325	1.3
221.10738	2.6
222.11423	3.3
223.08777	1.2
223.12317	6.2
224.09492	0.6
224.13077	5.4
225.06685	2.1
225.13866	4.5
226.14389	0.5
227.08148	0.7
232.09647	0.5
235.08771	1.2
235.12296	1.6
235.14470	0.6
236.09550	0.9
236.13089	1.6
237.10315	3.5
237.13881	14.9
238.14635	5.6
239.08159	4.7
239.15471	1.4
240.08998	0.5
249.13965	0.6
250.11002	1.9
251.08182	0.7
251.11850	1.8
252.12674	1.8
253.09846	0.7
253.13383	2.5
255.11360	1.0
257.09320	0.7
263.08200	2.2
264.12637	0.5
265.13440	8.3
266.14188	2.7
267.07666	4.8
267.15009	0.8
269.09286	1.4
271.10806	0.9
281.09262	3.0
283.06848	0.5
289.36459	0.5
297.12476	1.5
299.10233	3.1
309.08786	1.1
310.13135	0.7
313.11954	1.1
323.10361	0.6
323.14078	0.8
325.15475	4.3
326.16357	0.5
327.17081	0.6
341.11359	7.7
342.12463	0.7
343.13074	0.6
362.16486	0.7
382.11923	0.6
391.15659	0.7
392.16641	0.8
393.17072	0.6
406.18124	1.1
407.18469	0.6
417.16791	1.0
418.14587	0.8
419.14938	0.9
420.15921	0.9
421.16165	0.7
421.21002	0.7
431.19052	0.8
432.17242	0.8
433.16907	1.5
434.17398	0.9
435.18466	1.7
449.19629	1.7
450.20770	0.9
451.21790	0.8
461.15796	0.7
463.17575	1.0
464.22598	0.7
475.17493	0.8
476.18967	1.4
477.19424	1.9
478.20325	1.0
489.19333	1.0
490.20071	0.9
491.21326	2.4
492.21204	0.9
495.25220	0.6
505.22702	1.0
506.22095	0.7
507.23083	0.5
508.21277	1.2
522.22217	1.0
523.23669	4.0
524.24402	0.6
533.21765	1.8
534.21570	0.8
535.19922	0.6
536.20764	0.7
537.25568	1.3
547.23688	0.9
549.24707	0.7
550.22211	1.6
551.22961	4.9
565.24689	3.7
566.25476	4.2
575.23163	1.2
576.20972	0.9
593.23907	10.8
594.24481	0.8
603.22302	0.7
607.24884	1.3
611.25000	4.3
621.23468	3.0
625.26331	4.4
635.24786	3.1
653.26111	100.0
654.26447	4.7
667.27448	0.6
685.28705	10.8
686.30255	0.6
702.49164	0.5
703.39081	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	702.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	2.6
57.07080	32.6
59.04993	1.2
60.08170	0.7
63.79137	0.4
66.89537	0.5
67.05513	1.5
69.07066	3.7
70.00362	0.9
70.00755	1.0
71.08636	27.0
72.57568	0.4
73.02905	0.8
73.06559	9.7
79.05503	1.1
81.03418	0.8
81.07060	1.4
83.08625	3.2
85.10191	16.0
86.09716	4.5
87.04472	9.1
89.06039	100.0
91.05482	0.9
91.07617	0.4
93.07041	0.9
95.08616	1.1
97.10168	3.9
99.11736	3.8
104.10820	0.5
107.07067	2.2
111.11734	2.7
113.13281	2.2
117.09129	7.6
119.08573	0.6
125.00007	3.6
125.13293	1.5
127.14864	1.9
130.08691	1.1
131.07065	2.7
131.08559	0.6
133.08614	50.3
135.10184	1.6
136.06207	3.1
137.06511	1.0
141.16423	0.7
161.11729	2.0
175.09703	1.6
177.11237	19.1
179.12871	0.5
179.75603	0.4
183.21127	2.4
184.07365	14.9
184.09004	0.8
185.42877	0.4
219.12396	0.8
221.13823	4.5
221.15488	0.4
223.15234	0.5
227.23740	3.1
239.15123	0.5
251.38231	0.4
265.16473	1.2
271.26340	5.3
283.17432	0.8
309.19083	0.6
315.28983	2.8
317.89569	0.5
319.76407	0.4
459.27917	0.7
475.70905	0.5
488.98969	0.4
503.30481	2.1
601.86823	0.4
685.50934	2.2
702.55432	2.1
703.47089	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.1
55.05492	0.9
58.06606	4.8
63.13552	0.8
69.07146	0.8
69.33243	0.7
70.06609	1.6
70.24580	2.9
70.29066	0.8
72.08166	6.1
84.04534	1.2
84.08153	17.9
84.08630	1.4
86.09727	0.8
96.04508	3.4
98.06086	1.6
98.09724	1.1
99.06866	1.0
99.09165	0.7
100.07609	4.5
110.09715	4.7
111.09267	1.1
112.07629	3.3
112.11256	22.8
113.07144	1.7
120.08141	0.8
121.06548	0.9
122.02757	1.4
123.04441	4.5
129.13879	7.3
130.47722	0.7
149.06017	1.2
153.05501	1.5
155.11870	2.1
163.03906	5.7
165.05528	2.1
167.49907	0.7
175.07527	0.7
177.05569	3.1
178.08595	0.8
183.15053	1.0
195.11412	0.8
205.05019	2.1
206.08151	0.9
216.88980	0.7
234.11250	10.2
236.12819	1.0
239.07211	0.8
254.10437	1.1
260.09235	0.8
262.10757	19.6
265.05115	1.2
282.07602	1.0
283.03391	0.8
283.05942	4.1
284.09198	0.9
305.18842	2.1
309.80591	0.8
317.14978	1.4
324.08798	1.4
325.07220	1.2
333.18106	12.3
334.18564	0.8
335.16028	1.3
338.39651	0.9
340.11926	1.9
353.17349	1.2
357.14359	0.8
382.12793	5.1
399.15750	1.2
403.94650	0.9
406.23691	1.2
424.24393	3.3
439.18817	2.3
456.21494	1.3
460.06729	0.9
509.27194	1.3
510.26047	1.8
527.29022	4.5
684.36188	2.8
685.34155	1.2
702.37134	100.0
703.37775	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	702.367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	7.9
56.05036	1.2
57.05824	0.9
59.44244	0.5
67.37511	0.4
70.06597	6.0
71.29041	0.9
72.08163	100.0
73.08496	0.6
74.06097	0.5
84.04524	0.5
84.08161	1.9
86.09713	22.7
88.04015	1.6
98.09705	6.8
98.10290	0.7
112.11293	1.2
115.08705	25.7
120.08118	0.6
127.08707	1.5
127.28049	0.5
128.07204	0.4
129.10252	2.6
136.07578	2.3
137.08324	0.4
141.06584	1.1
141.10252	0.5
142.08656	2.1
143.07043	1.0
143.08171	21.3
143.11800	10.5
152.01967	0.4
152.07094	1.1
157.13411	1.1
159.07730	0.6
162.05614	0.5
169.09749	2.7
169.13380	6.4
169.14716	0.5
170.08159	0.5
171.11307	6.7
173.09254	1.2
173.12970	0.9
183.15007	1.3
185.12929	1.3
185.16472	3.4
187.07228	0.8
187.10800	18.2
197.12877	9.8
197.14545	0.8
211.14442	1.1
211.17996	0.6
212.10371	1.0
213.12497	0.6
213.15982	3.0
214.15529	1.1
215.10286	18.8
221.09474	0.7
224.13965	0.6
224.28210	0.4
226.15497	0.7
226.53247	0.5
241.11978	1.3
242.15005	6.9
247.12921	5.9
256.16586	1.1
258.10788	0.9
268.13000	0.5
268.16772	0.6
269.11401	0.8
270.14691	1.4
271.64105	0.5
284.19891	0.9
286.13998	12.8
286.17361	0.9
287.14633	0.5
296.19849	1.5
300.15967	0.9
310.21442	0.9
311.17264	0.9
314.13519	0.8
314.17108	5.0
327.24200	0.6
328.18759	3.2
329.18256	0.6
339.16843	1.6
340.18805	0.9
346.19885	1.3
355.23547	0.6
357.17703	33.1
358.18207	0.7
385.20889	3.5
399.22348	1.9
399.26801	0.6
410.23892	0.8
411.22424	2.3
413.20584	0.7
424.25507	1.2
425.24039	1.2
427.25693	1.4
428.25104	10.2
438.23596	1.8
452.25537	2.3
453.27209	0.6
454.30328	0.5
456.24585	21.5
457.24435	0.8
461.22562	1.1
470.26065	9.1
480.96033	0.5
498.29590	1.6
523.32507	0.4
524.31030	2.3
541.33380	2.5
551.31683	0.7
560.29510	0.6
569.32880	5.4
684.35846	0.7
702.36768	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57623	0.8
51.96688	0.9
52.44550	1.2
53.03940	3.1
55.01874	2.6
55.05271	1.4
55.05515	14.2
57.03447	5.5
57.07080	19.7
59.05016	5.8
64.92538	0.9
65.03911	2.3
65.22736	1.0
67.05508	37.1
67.19516	0.9
68.15204	1.0
68.70342	0.9
69.07069	16.5
71.04990	1.5
71.08633	9.7
74.26540	1.0
79.05497	17.5
81.03434	1.6
81.07062	43.2
83.04987	4.1
83.08627	10.5
85.06552	7.8
85.10188	2.7
91.05473	10.2
91.78777	1.1
93.07048	18.7
95.04980	3.3
95.08608	28.5
97.06528	3.5
97.10184	4.4
98.21542	2.2
99.08078	2.6
105.07028	9.9
107.08597	15.0
109.06525	11.5
109.10146	9.4
111.04455	3.6
111.08092	2.3
113.00027	4.5
117.07041	1.2
117.09124	1.2
119.08582	8.6
121.10149	10.5
123.08076	11.5
123.11734	4.9
125.06036	4.2
131.08630	3.0
133.10132	6.6
135.08061	12.0
135.11702	5.4
137.05974	23.0
137.09631	1.7
143.08638	1.2
145.10143	2.8
147.08083	1.2
147.11690	5.9
149.09637	3.5
149.13298	4.0
151.07596	5.6
151.11229	5.3
152.08362	3.8
153.12700	1.3
154.19656	1.0
157.10182	1.8
159.11717	2.8
161.09619	1.6
161.13275	4.5
163.11215	2.8
163.14885	2.0
165.09187	4.1
165.12784	8.5
169.02705	3.4
175.11234	2.8
175.14815	1.5
177.09219	1.7
177.11461	1.1
177.12735	6.1
179.10735	2.1
179.14355	4.8
189.12701	1.5
191.14252	1.9
193.12387	1.0
194.12968	1.3
207.13835	7.2
213.16441	1.4
231.17519	1.9
233.19092	2.2
245.19173	1.5
263.20123	3.2
277.18127	5.1
277.21747	7.8
295.22690	1.6
305.24786	2.3
313.27625	1.6
319.26279	8.7
329.24802	2.2
337.27368	31.0
338.27756	1.1
347.25809	100.0
348.26199	1.9
365.26932	23.4
365.31332	1.4
380.29205	1.1
393.29965	2.5
406.45834	1.2
417.69534	1.3
421.29489	29.9
429.87277	1.2
439.30569	6.1
572.47913	2.4
573.49121	1.6
588.58154	1.0
589.48743	25.4
590.48987	1.4
683.52484	23.5
684.51550	1.2
701.53607	39.3
702.54828	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	701.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.7
56.66560	1.4
57.07074	4.9
59.05010	10.3
67.05504	6.5
69.07063	2.8
69.85471	7.5
71.08631	4.6
79.05492	4.5
81.07063	5.6
83.08617	2.4
89.06047	2.9
91.05503	3.1
93.07039	5.8
95.08606	6.1
95.28605	1.5
101.06024	3.3
105.07082	3.4
107.08604	2.5
109.10194	2.1
119.08602	2.7
121.10126	2.7
130.08646	3.0
133.08505	1.4
133.10159	2.1
145.10147	2.6
162.09169	1.4
179.14267	2.0
198.11098	1.6
198.67674	1.6
246.44542	1.4
261.14020	2.3
263.15497	1.5
275.15311	2.3
277.21613	2.9
289.16971	1.8
290.16840	1.4
363.16547	1.9
375.16156	1.7
377.17728	3.8
378.18301	2.8
379.19382	3.6
389.17313	2.2
391.19299	3.2
392.19995	3.4
393.20975	2.3
395.18549	1.9
403.19608	2.2
405.21027	2.8
407.22397	11.0
409.20020	8.8
419.22440	1.8
423.21790	6.6
424.22586	1.5
432.19504	2.6
447.21887	4.3
449.19693	2.9
450.20361	2.1
451.21603	1.6
464.22006	3.0
465.22794	2.0
479.24600	12.5
481.22644	2.0
482.23563	2.0
494.26678	3.5
495.27499	5.1
511.27057	19.1
521.25360	2.6
523.23260	5.7
525.27960	2.1
549.24603	1.6
550.25928	2.2
551.26794	2.4
571.47498	1.9
589.48273	7.6
593.27533	3.8
595.25732	2.7
597.26855	2.3
609.27051	10.2
610.27167	2.4
625.30225	39.4
626.30823	2.1
627.27875	2.6
641.29755	47.4
642.30157	5.5
657.32904	100.0
658.33081	4.7
701.31396	5.0
701.47900	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	701.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35369	0.6
55.05523	0.7
57.07070	0.6
59.05002	1.7
64.58278	0.5
67.05521	0.8
67.26790	0.5
71.08630	0.7
71.42809	1.1
79.74051	0.6
81.07068	1.0
83.81084	0.5
89.06059	1.8
93.07079	0.9
95.08620	0.8
103.03960	1.7
105.07098	0.5
109.10128	0.7
157.50388	0.8
195.26848	0.6
223.12256	0.8
224.35785	0.6
225.13876	1.1
237.13863	0.7
239.15390	1.0
261.13959	0.8
289.17133	0.7
367.19394	0.9
379.19604	0.8
381.21118	0.7
392.20648	0.6
393.20950	1.4
409.20099	1.4
414.22507	0.6
418.17480	0.7
421.20493	0.9
422.21002	1.1
423.21960	6.5
434.21423	0.7
435.22064	1.3
436.22525	1.9
437.23892	3.4
438.24304	1.8
447.22113	1.0
448.19183	1.2
449.24200	0.9
452.21863	0.7
453.22763	0.7
463.21494	1.9
464.19254	0.7
465.23401	0.6
467.24240	0.7
468.25671	0.8
475.21512	1.7
477.18665	1.3
480.21646	1.5
489.19250	1.1
491.21045	1.9
492.21890	1.1
493.22537	0.8
497.25323	0.6
505.23065	0.8
507.23950	1.9
508.23370	0.7
509.25064	0.6
521.23840	1.0
523.27679	4.8
524.27496	2.1
525.25574	0.9
535.23676	0.9
537.24945	1.5
549.25018	0.9
550.24597	1.0
551.26508	2.9
555.28888	0.6
561.24945	1.1
563.22711	0.8
566.25568	0.7
567.25989	1.0
573.99976	0.7
577.24139	1.8
578.24933	1.2
579.26282	3.6
580.26843	0.8
581.26373	0.8
589.25012	0.8
589.48853	0.7
591.25671	0.8
593.28174	0.8
594.25555	0.9
595.25464	1.1
609.27161	1.4
610.27936	1.4
611.28699	6.5
619.25781	0.7
637.26923	2.9
651.28162	13.8
652.28900	0.9
654.27136	1.0
655.27502	2.4
669.29218	24.2
670.29938	4.1
701.31903	100.0
702.32819	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	701.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50292	0.5
59.04999	1.6
67.05513	1.2
69.32733	5.1
79.05497	0.9
81.07047	1.4
87.04479	0.7
93.07033	0.7
121.10130	0.7
136.06155	0.5
146.34767	0.6
152.53697	0.6
223.12360	0.9
224.13046	0.9
225.14006	0.9
237.13907	0.6
238.14679	0.8
239.15479	0.8
261.13956	0.9
263.15372	0.8
275.15442	0.9
277.21515	0.7
338.16599	0.6
365.17831	0.7
379.19366	1.1
381.20816	0.7
393.20862	0.9
408.19611	1.1
409.20267	1.6
419.18411	0.9
421.20358	1.5
422.21353	0.9
423.22040	7.5
424.22208	0.7
433.20682	0.9
435.22382	1.5
436.22858	0.8
437.23962	4.2
438.24469	1.7
447.22299	1.0
449.24030	0.9
451.21655	1.3
463.21506	2.7
465.23584	0.9
468.25067	0.7
469.26108	1.0
475.21408	1.6
476.22455	0.6
477.19110	1.3
491.21320	1.9
492.21832	1.6
493.22757	1.4
497.25745	1.0
502.34396	0.8
505.22134	0.8
507.24109	1.9
508.25034	0.7
509.24429	0.7
511.26987	0.7
521.25909	1.1
522.26257	0.7
523.27649	2.9
524.27557	1.2
525.25061	1.8
535.23438	1.5
538.26007	0.6
539.26855	1.6
540.27277	1.4
549.24927	1.1
550.25275	1.2
551.26764	3.1
553.26172	0.8
563.23376	0.9
566.25433	0.7
567.25958	1.7
571.29095	1.2
577.24329	1.0
578.25012	0.7
579.26221	4.7
580.26971	1.2
581.27692	0.8
582.27002	0.7
591.25848	0.6
595.26105	1.6
609.27112	0.8
610.27637	1.3
611.28711	6.7
627.28143	3.5
637.26526	2.4
641.30286	0.6
654.27820	0.6
655.27509	2.3
669.17841	1.1
669.29272	23.1
670.29779	3.8
692.84601	0.6
701.31860	100.0
702.32294	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	701.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32948	1.1
56.96571	2.8
59.27346	1.4
70.06602	2.9
71.50195	1.2
71.50655	1.4
72.08171	2.0
73.77032	1.1
79.05519	1.2
81.07076	1.7
84.08138	1.7
91.05533	1.3
93.07049	1.3
98.97602	2.5
133.10097	1.4
157.79778	1.5
217.01196	2.2
226.64432	1.4
281.24008	1.2
318.94330	1.5
343.11240	1.9
355.11618	3.0
423.17825	100.0
424.18018	2.7
437.19373	1.8
505.25674	30.8
521.24677	4.3
584.21942	1.5
669.29504	6.2
683.30298	6.2
701.31506	77.0
702.31805	4.0
709.82892	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	701.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85789	1.9
55.93535	2.0
56.96567	4.5
64.46199	1.6
66.03378	1.8
70.06594	7.9
71.22539	1.8
71.50402	2.5
72.08148	5.0
76.59607	1.7
81.03418	2.0
81.07053	3.3
84.04510	2.4
84.08150	3.8
85.02879	2.3
86.09705	4.4
91.05472	3.6
93.07044	2.0
95.08637	2.2
95.57394	1.9
98.97581	2.3
105.07033	2.4
107.08661	2.5
117.70014	1.8
119.08592	3.0
127.90791	2.1
129.10248	2.4
130.42526	1.7
145.10159	1.9
172.01300	2.0
177.76834	1.6
179.05063	1.8
216.60522	2.0
217.01125	3.8
252.76532	1.9
275.13416	1.7
329.18378	2.0
341.18155	3.7
343.12122	1.9
355.11560	94.0
359.16824	3.7
397.15933	3.0
423.18094	3.9
437.19678	4.7
491.23969	3.1
503.22995	6.8
505.25610	33.8
521.25165	18.6
523.27258	2.9
683.30316	13.2
701.31500	100.0
702.31799	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	701.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
54.28864	1.2
55.05510	3.6
57.03443	3.4
57.07080	2.3
59.05003	1.8
64.19444	1.0
67.05521	6.5
69.52823	7.3
73.96521	1.3
79.05480	5.5
79.61471	1.0
81.03426	2.8
81.07069	6.1
83.08652	1.2
86.09705	1.6
91.05510	4.8
93.07062	4.6
94.06625	1.1
95.04973	1.5
95.08613	6.8
105.07044	3.6
105.41949	1.3
107.08617	2.6
109.10186	3.3
111.08073	1.3
117.07080	1.1
119.08613	2.4
121.10156	2.5
123.11694	1.4
130.06500	1.5
131.08600	1.5
135.11726	2.1
136.06233	1.5
145.10175	1.3
148.07610	1.7
178.05037	1.4
184.07416	3.8
199.08701	1.2
209.10791	1.9
211.12527	1.7
215.17894	1.1
221.10757	2.0
223.12395	3.0
224.13322	2.1
225.10207	1.4
229.09818	2.2
232.09802	1.3
233.10764	1.8
235.12366	2.6
237.10306	1.5
237.14026	2.2
238.11005	1.7
239.11938	3.1
244.12663	1.2
249.10344	1.9
249.13864	1.5
250.11165	1.4
251.11862	3.0
253.13376	2.2
261.10318	1.4
263.11874	6.0
264.11429	1.2
265.13388	2.5
271.15591	4.0
272.15848	2.4
275.11850	1.5
276.11923	1.2
277.13235	1.5
278.13071	2.2
279.11328	1.4
281.12930	2.3
288.11154	1.3
289.13428	1.5
290.13025	1.6
299.14001	1.5
302.13110	1.6
304.14642	1.5
307.22748	4.9
308.23199	4.2
313.11911	1.9
315.17062	1.8
316.11020	1.4
316.17786	1.5
320.14081	2.3
322.15573	1.7
323.10464	1.4
330.12665	1.6
332.14227	2.5
334.15668	1.3
337.15283	2.1
338.15927	1.3
348.14218	1.2
351.16455	1.3
353.17889	2.9
362.15656	1.4
363.16153	2.6
367.15561	3.1
367.19379	2.8
372.13782	1.7
377.17929	2.1
378.15424	1.5
381.17294	3.5
390.15079	1.8
391.15543	4.5
393.17410	1.6
394.18402	1.7
395.18863	4.5
396.19553	2.3
397.20468	6.3
405.16965	2.5
406.18164	2.5
407.18900	2.2
408.19705	1.3
409.16202	1.6
409.20767	1.9
411.21933	1.4
417.17029	1.6
419.14581	1.9
419.19287	2.2
423.18237	4.0
424.19012	3.2
425.19736	9.3
433.16110	1.8
434.17645	5.3
435.18124	2.5
436.19513	1.3
437.19754	3.9
439.21561	1.6
451.16922	1.6
451.22324	2.1
455.24664	1.5
461.19955	4.7
462.16653	11.0
463.17188	2.1
465.23492	1.5
467.20908	2.8
477.19662	1.6
479.21112	4.5
482.23282	10.1
483.23904	7.1
484.24741	2.6
489.19659	3.8
490.16382	1.7
491.17059	2.3
493.22217	4.4
494.19156	12.4
498.26300	1.6
504.34308	1.8
507.16388	1.8
510.22824	3.9
511.23569	12.0
512.24316	18.3
513.24670	1.4
517.18420	2.1
520.21320	2.0
521.22906	5.8
522.19196	1.3
525.25165	5.0
526.25684	2.1
531.20740	2.2
535.23035	2.6
538.21521	2.4
539.23059	5.8
548.20624	2.5
549.21533	4.5
553.24323	4.7
554.25482	9.4
563.22736	2.5
567.22675	4.2
577.20551	7.6
580.23071	2.0
581.23993	11.1
591.22211	2.5
595.22150	5.4
598.24139	6.5
599.24902	12.4
608.22675	17.0
609.23285	5.7
611.22937	1.3
613.26605	9.2
614.27771	1.9
623.25189	9.7
626.23785	20.7
627.24567	15.9
633.23401	3.1
637.26703	1.7
641.26215	28.6
651.24542	17.3
669.25598	58.6
670.25812	4.1
701.28223	100.0
702.28711	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	700.5207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56622	0.4
55.05521	3.1
57.03435	0.4
57.07077	30.1
59.04712	0.6
59.05003	11.7
67.05508	1.2
69.03433	0.6
69.07068	5.2
71.08632	30.3
73.02919	2.8
73.06557	9.0
77.06032	0.8
77.42065	0.3
78.16225	0.3
79.05511	0.6
81.03419	0.4
81.07066	0.9
83.08624	4.7
85.10181	18.6
87.04469	17.3
88.04189	0.4
89.06033	46.9
91.07591	0.6
93.07059	0.7
94.19016	0.3
95.08603	0.8
97.10170	6.2
98.20787	0.9
99.11736	3.1
101.06068	0.4
103.03944	100.0
103.07582	7.8
104.04262	0.4
104.07098	0.8
107.07045	1.9
111.11710	3.5
113.06013	1.2
113.13270	1.3
117.09134	8.3
119.07066	2.1
121.08647	1.6
125.13267	1.9
125.38161	0.5
127.14846	1.5
130.08638	0.8
131.06149	0.6
131.07050	5.4
133.08606	16.2
135.10176	0.7
139.14890	0.5
141.16364	1.9
144.06554	0.4
147.06525	10.1
147.10150	3.6
155.17897	0.8
157.08655	0.4
161.11729	1.3
163.09648	3.0
175.09668	2.4
177.11247	7.9
187.83647	0.4
191.09148	5.3
205.10507	0.5
205.85526	0.3
207.12280	3.6
210.76965	0.4
211.24208	2.0
219.12445	0.7
221.13768	1.7
235.11760	5.3
239.15044	0.8
242.21651	0.4
248.90710	0.3
251.14876	1.0
255.27060	1.8
265.16602	0.8
279.14447	1.4
283.17654	0.4
295.17502	0.5
297.15378	0.5
299.29446	5.6
301.76340	0.4
323.17032	0.8
343.32047	4.0
353.51190	0.4
382.08463	0.4
385.97458	0.4
427.25397	0.6
473.25897	1.6
475.63376	0.4
537.43353	0.4
571.47449	0.9
657.33057	1.4
683.49487	0.8
700.52057	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	700.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87735	0.2
53.03937	0.5
55.01880	0.4
55.05313	0.2
55.05519	1.9
56.04102	0.2
57.03434	0.7
57.07078	0.5
59.04992	0.7
60.22372	0.2
67.05507	4.4
68.64604	0.2
69.03418	0.3
69.07074	1.6
71.04990	0.2
71.51218	0.3
72.00904	0.2
79.05499	2.5
81.03425	5.4
81.07061	4.7
82.07370	0.2
83.04970	0.6
83.08610	1.5
87.04430	0.3
89.06042	0.3
91.05488	2.4
92.02435	0.2
93.07038	2.2
95.04987	1.9
95.08614	3.0
97.02927	0.3
97.06527	0.2
97.10160	0.3
105.07025	1.3
107.04966	0.4
107.08606	1.2
109.10168	1.4
111.08084	0.3
117.07071	0.3
117.90492	0.2
119.03584	1.1
119.08604	1.1
121.10142	0.8
122.48343	0.2
123.11700	0.5
129.07001	0.6
131.08594	0.6
133.06429	0.2
133.08626	0.2
133.10149	0.8
135.11649	0.3
136.06195	100.0
137.04582	1.0
137.06506	0.4
137.13264	0.2
142.07797	0.2
145.10141	0.4
147.11690	0.9
149.09674	0.3
149.13293	0.3
157.10146	0.8
161.13293	0.2
162.13612	0.2
163.14848	0.3
175.11169	0.4
184.07385	0.2
193.12181	1.1
267.15927	3.6
337.27386	3.0
346.18912	0.2
420.22711	0.3
529.38818	0.8
547.39594	0.3
588.16559	0.2
636.25537	0.5
682.45026	1.2
700.46436	4.6
701.46594	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63832	0.8
51.02389	0.9
53.03955	5.4
55.01867	3.4
55.05267	0.6
55.05512	16.0
57.03426	2.7
57.07071	3.2
59.05000	1.8
60.08142	0.7
65.03943	3.3
67.05510	38.9
69.03432	9.1
69.07073	14.3
71.04997	2.0
73.02890	0.9
76.79110	0.8
79.05495	44.5
81.03423	13.9
81.07060	100.0
82.07410	1.2
82.96158	0.7
83.04997	3.9
83.08624	8.0
85.02901	5.4
85.06559	2.2
91.03956	0.8
91.05489	24.5
93.06595	0.7
93.07050	50.8
95.04971	5.8
95.08612	77.6
97.02906	5.7
97.06531	3.8
97.10163	5.1
99.04461	1.9
99.08076	1.3
105.04562	1.3
105.07038	33.3
107.04984	1.7
107.08601	35.8
109.02853	3.6
109.06525	10.7
109.10158	22.4
111.04438	1.4
111.08089	6.1
111.11726	0.9
113.09676	0.9
115.05466	1.4
117.07020	9.5
119.08585	22.8
121.06541	2.3
121.10151	32.6
123.08057	5.6
123.11707	8.8
125.09650	2.2
127.03920	2.8
128.06227	1.5
129.06992	4.7
130.07791	1.1
131.08566	15.6
133.06488	1.7
133.10141	19.9
133.11107	1.4
135.08090	3.1
135.11714	16.4
137.09636	4.0
137.13303	2.0
139.11244	1.5
141.07005	1.0
142.07806	1.4
143.08568	8.7
144.09354	1.4
145.10129	16.3
145.11293	0.8
147.08118	1.5
147.11693	13.9
149.09636	2.9
149.13275	19.6
151.07605	0.8
151.11191	5.9
155.08591	2.0
157.10129	7.8
159.08139	1.0
159.11705	15.6
161.09651	1.8
161.13263	9.3
163.11221	2.8
163.14803	7.9
165.12825	2.3
167.08556	1.0
169.10179	2.2
171.11688	6.5
173.09689	2.0
173.13260	8.6
175.11150	0.9
175.14812	5.8
177.12810	2.5
177.16388	5.5
179.14430	1.5
181.10191	1.3
182.35001	0.9
183.11765	1.7
184.07343	1.9
185.13242	4.8
187.14828	10.1
189.12782	1.9
189.16422	4.3
191.10654	0.8
191.14389	1.7
193.15974	1.0
195.11844	1.3
197.13295	1.2
199.14795	5.8
201.12740	1.0
201.16350	5.4
203.14348	1.3
203.17928	4.5
205.15877	11.5
207.11882	1.0
211.14917	1.6
213.16365	6.3
215.18019	4.6
217.15848	1.6
219.17609	1.4
219.29883	0.8
227.18028	1.7
229.19521	1.4
231.17549	2.3
233.19046	2.6
245.19087	1.0
249.18607	1.2
259.24191	1.9
269.22668	15.6
271.15527	1.5
275.20258	1.8
281.09219	0.7
287.23724	9.5
305.24796	2.0
307.22708	1.3
313.21967	0.9
341.21149	1.7
359.22375	1.3
367.91748	0.8
377.23291	2.0
465.35913	2.0
478.51633	0.8
503.33713	1.1
580.27618	1.0
635.25171	1.4
667.28210	1.4
681.46838	1.3
699.30249	1.3
699.45313	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	16.8
55.01864	10.6
55.05521	18.6
55.05746	3.6
57.03430	12.0
57.05528	3.7
57.07075	7.5
59.04996	5.9
61.02917	8.4
65.85896	3.4
67.05512	26.3
68.99777	4.6
69.03442	52.0
69.07077	18.9
70.90136	3.5
71.04983	7.4
71.50513	5.4
73.02922	8.9
79.05509	24.5
81.03430	31.0
81.06596	4.5
81.07066	69.1
83.08614	10.5
85.02442	6.5
85.02915	100.0
86.91364	3.6
87.00842	37.4
87.04503	3.9
89.06045	4.0
91.05479	24.7
93.07057	52.1
95.04958	15.3
95.08620	55.0
97.02907	31.4
97.10163	10.9
99.04438	11.6
105.01874	41.8
105.07050	44.4
107.08597	51.8
109.02895	33.4
109.06520	6.8
109.10175	51.9
111.04446	6.8
115.03957	3.5
117.07027	7.8
119.08586	53.6
121.06519	3.7
121.10159	47.8
123.08080	8.3
123.11702	17.7
127.03934	64.1
129.06998	4.5
131.08583	20.5
133.10159	31.6
135.08075	5.8
135.11705	25.7
137.13246	7.2
143.08568	10.5
144.09425	4.0
145.04961	23.3
145.10106	29.8
147.11693	29.5
149.13257	28.3
151.14729	4.2
155.08505	4.6
157.10118	10.0
159.02885	14.6
159.11739	29.2
161.09537	5.3
161.13310	30.7
163.14862	19.4
165.12776	3.6
169.10185	4.5
171.11729	11.0
173.13310	24.1
175.14810	17.8
177.16391	8.0
187.14828	17.0
189.16362	15.7
191.17976	6.5
197.13364	4.4
199.14842	10.4
201.16406	20.0
203.17986	9.5
213.16362	4.9
215.17979	17.2
227.17934	7.1
231.05051	17.2
231.21147	8.5
241.19560	5.0
269.22589	9.8
271.24216	66.6
274.74579	4.2
281.22647	7.4
283.24203	5.0
287.23477	4.1
289.25327	17.0
295.24164	7.5
379.26346	6.5
397.27170	10.1
398.03409	4.8
415.28415	10.7
433.29422	14.6
451.30606	8.1
519.29572	7.0
602.48615	4.0
665.11249	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	699.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86238	0.2
55.05518	0.2
59.05021	0.2
67.05520	0.6
71.50657	0.3
74.83993	0.2
79.05499	0.5
81.07065	0.5
91.05489	0.2
93.07050	0.5
95.08618	0.3
105.07035	0.3
107.08566	0.2
145.10185	0.3
185.04276	0.8
203.05286	1.6
234.38606	0.2
259.07861	1.4
301.20322	0.4
305.08539	0.3
347.09683	1.0
360.16367	0.2
365.10513	2.8
365.14099	0.2
375.25284	0.2
421.13373	0.7
537.30438	16.5
538.30811	0.5
699.35663	100.0
700.35919	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	699.357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27427	0.2
53.53530	0.2
58.59329	0.2
59.10524	0.2
61.38237	0.2
62.40645	0.2
71.51134	0.2
81.07052	0.3
85.02887	0.2
87.48051	0.2
95.08576	0.3
110.14955	0.2
119.94248	0.2
185.04282	0.5
259.07843	0.4
301.20236	0.5
347.09540	0.9
360.16626	0.3
537.30383	16.3
538.31116	0.6
617.20795	0.6
649.23132	0.3
667.24091	0.9
699.35638	100.0
700.35974	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	699.331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.7
56.05039	1.5
57.03434	2.2
58.99573	1.5
59.04989	1.9
61.02919	2.2
67.05501	14.8
68.05043	1.9
69.03429	6.8
69.07076	6.3
70.06567	3.7
71.03271	3.3
72.08156	2.2
73.02914	1.3
76.04007	2.2
79.05494	11.4
80.05016	13.1
81.03421	2.2
81.07061	16.2
83.04978	3.1
83.08627	2.9
84.04507	2.9
84.08141	2.7
85.02899	4.2
86.00671	1.7
89.06020	3.1
91.03963	1.6
91.05483	13.9
93.07041	13.2
93.32120	1.3
94.85921	1.3
95.04973	3.3
95.08064	1.6
95.08618	17.9
96.04501	3.4
97.02884	1.5
97.06540	11.6
105.07034	19.3
107.08601	22.1
108.04466	2.2
109.06533	7.8
109.10158	22.2
111.04374	1.4
111.08061	5.2
112.11264	2.1
114.03761	13.1
115.05453	2.6
117.06997	3.6
119.08575	14.3
120.64589	1.3
121.06514	4.9
121.10138	14.1
123.08043	4.5
123.11723	3.3
125.06007	15.9
125.08788	1.4
125.09634	5.5
128.06190	5.3
128.07816	1.4
129.06993	6.2
130.07855	1.8
131.08554	11.7
133.06473	1.5
133.08583	1.9
133.10149	12.1
135.08081	9.4
135.11676	7.8
136.03944	3.8
137.09625	10.2
139.11195	2.3
141.06979	2.3
142.03226	100.0
142.07785	4.7
142.66679	1.2
143.08591	20.5
144.09320	1.5
145.06483	3.4
145.10136	17.0
147.08066	3.2
147.11642	7.8
149.09605	4.0
149.13257	3.6
151.07535	2.8
151.11179	1.7
153.07076	1.6
153.09094	4.5
155.08606	6.5
155.10703	4.0
156.09256	2.5
157.10117	12.4
159.08049	4.8
159.11714	14.1
161.09630	19.7
161.13243	4.1
163.11227	7.3
163.14789	1.6
165.07027	2.6
166.07823	1.7
167.08566	4.1
168.09409	2.6
169.10182	8.0
170.02718	51.2
171.08054	30.6
171.11676	10.8
173.09628	6.0
173.13248	5.6
174.10278	1.8
175.11191	8.6
175.14854	2.0
176.52335	1.4
177.12753	3.6
179.08542	4.9
180.09294	2.9
181.10187	6.5
182.10909	2.7
183.08008	3.7
183.11719	10.3
185.09619	2.7
185.13261	9.8
187.11185	5.8
187.14787	4.8
189.09244	1.5
189.12735	4.6
191.08597	1.6
191.14369	2.1
193.06041	2.4
193.10156	4.5
194.10963	1.9
195.07909	2.1
195.11703	13.2
196.12456	2.5
197.09605	12.5
197.13271	8.2
199.05362	4.7
199.11279	3.1
199.14864	4.7
201.12730	3.9
203.14302	2.8
205.10068	2.2
207.11694	4.0
208.08800	2.9
209.09625	4.5
209.13205	8.1
211.07196	3.5
211.11214	11.2
211.14810	5.1
213.12785	6.3
213.16351	2.6
214.13467	1.9
215.14311	4.4
217.08357	1.5
217.15755	1.9
219.11763	4.4
220.12399	2.0
221.09651	4.7
221.13245	4.4
222.10445	1.7
222.14018	2.8
223.11189	9.4
223.14792	4.6
224.15393	1.8
225.12721	5.0
225.16295	2.8
227.04875	9.8
227.14383	3.4
227.17984	1.9
233.13370	2.7
235.11142	4.6
235.14833	6.3
237.12714	6.9
237.16357	8.3
239.14311	3.1
239.17963	2.9
241.12151	1.5
243.04443	5.1
245.05920	69.6
247.14796	3.2
249.12767	1.5
249.16386	2.3
251.14240	4.3
251.18051	1.8
253.15875	2.5
255.17445	3.3
257.18686	1.6
261.12759	6.2
262.13391	1.7
263.14404	7.9
263.17917	3.8
265.15878	9.6
265.19388	2.5
267.17447	3.8
275.14182	1.6
277.15967	3.1
279.13840	5.8
281.15427	3.6
281.19019	3.8
283.16959	3.4
289.15674	2.4
291.17392	16.5
295.20380	2.3
303.17371	1.8
305.19104	2.5
307.16791	1.8
309.18524	7.1
327.19431	4.9
373.25275	5.1
381.27823	1.3
383.23639	3.7
391.26270	8.5
393.23993	6.5
401.24802	16.5
409.27377	8.2
419.25809	33.1
420.25476	1.7
420.81677	1.8
437.26788	18.2
455.27890	6.1
469.24133	1.7
560.28296	2.4
578.29272	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52691	1.7
52.83404	1.5
57.07085	2.0
59.04989	3.6
67.05491	6.2
71.51582	2.6
74.63702	1.7
79.05494	4.2
81.03395	1.6
81.07076	4.1
91.05491	2.6
93.07037	6.4
95.08595	5.6
95.75047	1.9
105.07027	2.0
107.08615	2.8
109.10228	1.9
119.08571	4.3
121.10178	3.2
133.10170	3.3
139.11069	1.9
139.34877	1.9
143.08580	1.8
143.56601	1.8
147.74622	1.9
159.11771	1.7
194.08386	2.1
195.09192	7.3
196.09998	3.2
197.10811	3.8
208.09924	2.8
209.10799	9.4
210.11581	3.7
210.64304	1.8
211.12296	4.0
212.13057	4.4
223.08733	4.1
223.12314	13.2
224.09428	7.6
224.13084	7.2
225.10242	4.9
225.13918	14.1
226.14626	4.2
227.15469	3.4
237.10275	3.6
239.08109	2.4
250.10847	2.1
251.08171	2.0
251.11833	10.1
252.12650	2.9
253.13367	17.4
263.08203	2.3
264.26901	3.8
269.12836	2.0
277.21600	2.8
279.11285	3.2
283.07303	3.3
289.06015	3.6
291.07797	3.7
297.12311	2.1
307.07101	3.7
339.09683	2.7
443.14334	2.3
448.42947	1.7
471.18167	2.0
485.16043	2.5
487.21432	3.3
499.17648	4.2
501.19116	2.5
505.22217	2.7
513.15607	2.3
514.19824	2.5
515.20654	5.1
527.17188	7.1
529.21625	3.3
530.22845	2.2
532.21143	2.3
533.21912	2.4
542.19678	4.9
543.20239	5.3
547.23260	2.2
557.21558	6.6
558.22601	2.4
565.24005	2.3
573.25000	8.4
575.22705	2.2
585.21423	6.0
603.22162	3.0
617.24017	67.6
618.23804	3.2
635.24640	2.4
649.26642	74.5
650.26624	3.5
667.27686	100.0
668.27686	4.6
699.29657	5.7
699.43628	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	699.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
55.05514	1.7
57.03436	0.9
57.07088	0.9
58.89425	0.7
59.05002	1.0
59.58167	0.7
60.08162	2.3
64.90684	0.8
67.05505	3.7
69.07069	1.8
69.81460	2.2
69.81879	2.2
71.07365	1.4
71.08619	0.8
75.04486	5.5
79.05496	4.0
81.03437	1.2
81.07080	4.6
83.08620	1.3
86.09715	9.5
87.10023	1.7
91.05480	2.6
93.07047	3.3
95.04960	1.0
95.08621	3.1
98.98489	1.5
99.04498	1.2
101.25941	0.7
105.07016	2.6
106.06577	1.3
107.08575	1.4
108.04464	0.8
109.10152	1.4
111.08067	0.8
118.06562	1.1
119.08617	1.7
120.08133	2.1
121.10164	1.5
122.06074	0.7
125.00011	7.4
125.09641	1.1
131.08606	0.9
133.10161	1.6
134.06047	9.0
136.06195	11.7
145.10176	0.8
150.09151	1.0
159.11629	1.2
161.13275	1.0
184.07356	38.3
185.07663	5.0
197.10712	1.0
201.10313	1.2
209.10791	1.0
223.08783	1.1
223.12376	0.9
225.10345	1.7
235.12245	1.0
237.10191	1.0
237.13885	0.8
239.11763	1.4
240.12646	1.1
241.13277	0.9
245.26704	0.8
249.10312	1.8
249.13940	0.8
251.11714	0.9
253.09616	1.0
253.13469	2.5
255.14960	2.0
258.67822	0.7
264.12582	1.1
265.09793	1.0
265.13519	1.1
275.08249	1.9
279.11261	1.0
286.13504	0.8
291.14658	0.8
297.12680	1.0
300.11243	1.2
300.14764	0.9
309.08774	0.8
314.12836	1.7
315.13846	1.3
316.14508	1.6
326.12949	1.5
328.14441	1.0
330.12463	1.1
330.16251	1.2
338.12784	1.4
340.10788	1.6
340.14511	1.3
341.11633	0.9
342.12430	2.4
354.12451	1.9
354.16147	0.8
355.13052	1.0
356.13895	1.1
363.09744	1.6
364.14615	0.9
366.12543	1.1
368.13983	1.7
370.15689	0.9
380.14090	1.9
382.15665	1.1
384.13361	1.2
392.16489	0.9
398.15247	1.8
401.13400	1.1
403.15240	1.3
412.16534	1.3
415.15414	1.4
416.15994	2.3
417.16687	1.4
418.18167	1.3
419.14575	1.4
424.16580	1.1
426.14572	1.1
428.16415	0.9
429.17050	1.0
430.18222	1.3
431.19058	1.3
436.13251	1.0
440.16342	1.2
441.16846	1.0
443.14633	1.0
447.17731	1.5
449.20032	1.2
457.16486	1.0
458.16931	1.7
459.17700	1.1
460.19040	0.9
468.15604	1.2
471.21567	0.8
473.19720	3.4
477.18945	1.1
484.19073	1.1
487.21268	2.5
489.19263	1.7
490.19852	1.8
491.20886	1.3
497.19482	1.2
501.19092	3.1
502.19919	1.4
505.22348	1.3
515.20929	4.8
516.21381	1.8
518.19379	1.7
519.23840	0.9
528.17389	1.2
532.20856	1.1
533.21515	2.5
535.19562	1.2
537.25214	1.4
547.23480	4.8
548.23535	2.2
549.21411	1.0
560.20453	1.0
565.24536	1.0
575.22900	3.1
579.25653	0.9
581.23169	1.0
589.25226	1.4
592.23212	4.2
596.22552	1.8
607.25336	4.3
617.24225	9.9
625.26306	2.4
635.24982	13.4
639.28375	6.3
649.26581	17.6
650.26489	1.6
652.24939	1.8
667.27679	100.0
668.28070	11.7
669.27875	1.1
681.29181	2.1
699.30408	33.9
699.42749	2.4
700.29797	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.1
55.05505	2.4
59.05003	1.4
63.58126	1.0
66.58404	0.9
67.05499	6.1
69.03416	1.4
69.07079	2.0
70.06598	2.5
71.08649	1.4
71.50933	1.6
75.04507	6.4
75.04831	1.1
79.05498	5.7
81.03429	3.0
81.07070	5.8
83.08651	2.0
87.49503	1.1
91.05490	3.9
93.07062	4.3
94.06580	1.6
95.04967	1.4
95.08606	3.5
97.10197	1.6
105.07043	2.6
106.06583	1.6
109.10149	1.7
114.91138	1.1
119.08651	1.7
120.08086	1.7
121.10146	2.0
130.43535	1.2
131.08615	1.6
134.06042	9.6
134.91455	1.1
136.06207	23.1
137.06537	1.8
142.89603	1.1
147.08154	1.1
147.11746	1.8
150.09225	1.2
178.05075	1.9
185.07179	2.4
201.10301	1.5
223.12390	1.0
225.10237	2.3
237.10381	3.1
239.11827	1.9
240.12601	2.3
249.10254	1.5
253.13522	2.3
255.15059	2.4
265.09906	1.3
293.86475	1.1
300.11520	1.3
302.13101	1.6
309.08630	1.4
314.12927	2.4
316.14496	1.7
324.11316	1.5
324.15155	1.1
327.14130	1.2
328.10858	1.9
328.14697	1.9
330.16098	1.7
338.12976	2.2
340.14691	1.5
342.12573	2.0
342.16220	1.5
352.14685	1.3
353.11465	1.1
356.14020	3.2
358.11887	1.3
358.15839	1.8
365.12134	1.3
368.13956	1.4
382.11499	1.3
389.17957	1.5
391.15741	1.6
395.12439	1.5
416.16342	3.2
417.17303	2.3
423.22269	1.2
430.17892	2.4
431.18930	2.0
433.20721	1.2
444.15628	1.3
448.19635	1.3
449.19730	2.3
457.16629	1.6
458.17404	2.0
460.19150	1.5
461.19830	1.4
462.46371	1.1
473.20157	2.5
474.20734	1.7
477.19318	1.9
487.21396	1.5
490.19891	1.5
491.21011	2.4
497.20056	1.4
501.19235	2.0
515.21204	4.8
517.19366	1.1
518.19305	2.5
525.19183	1.3
532.20325	1.7
533.21796	2.4
537.25684	3.0
543.20807	1.8
547.23645	3.9
548.23700	2.9
557.22052	1.5
575.22949	2.5
578.21106	1.2
585.21454	1.5
592.23108	10.7
593.23438	2.4
607.25708	4.0
617.24109	14.2
625.26624	3.9
635.25269	8.6
639.27863	7.0
649.26740	16.6
657.28778	1.7
667.27722	100.0
668.28339	9.1
681.28418	1.4
699.30371	44.0
699.42712	2.4
700.30585	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.2
57.07054	1.6
59.04998	5.5
67.05497	4.4
69.07064	1.6
69.43685	10.5
79.05486	3.9
81.03426	2.8
81.07037	4.0
83.08633	1.6
85.06551	3.5
89.06007	1.7
91.05488	3.9
93.07056	2.6
95.08629	2.5
96.46049	1.2
98.83314	1.3
99.08092	1.8
105.07015	2.5
119.08576	1.5
121.10165	4.0
133.10135	1.6
135.11658	1.8
147.11761	1.5
157.10141	1.6
191.59076	1.2
223.12311	2.6
225.13896	3.6
237.13844	4.3
259.20490	1.9
264.26917	2.3
276.19901	1.5
277.13150	1.5
279.86771	1.3
343.74341	1.5
354.12320	1.4
376.68661	1.5
403.15427	3.0
404.16327	2.5
417.17325	2.8
432.19363	2.0
433.20123	4.1
443.18430	1.6
445.20709	1.8
449.23505	1.6
457.16046	2.0
461.19714	2.2
463.21194	2.5
471.21497	2.4
472.19089	1.6
473.19653	4.3
474.20200	1.9
478.19589	1.9
486.17007	1.7
487.21558	2.6
488.22119	2.7
489.19214	6.3
493.21826	2.0
501.19226	7.8
505.22025	2.3
515.21021	7.3
516.21411	6.0
517.22662	8.0
519.19745	7.4
521.22565	2.7
521.24896	2.8
533.21851	4.2
547.23303	3.3
549.25067	28.3
550.25128	1.7
561.21130	4.3
565.24091	2.6
575.22943	6.5
579.26538	1.8
580.26532	5.1
593.23413	3.9
607.24915	3.7
608.26251	22.2
609.26007	3.3
635.25098	100.0
636.25110	4.8
639.28192	3.1
667.27667	34.4
668.27704	3.7
699.30096	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	699.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18362	0.4
55.05511	0.6
56.26206	0.3
57.07078	0.4
59.04986	0.5
67.05511	1.4
69.07056	0.8
71.50865	0.6
79.05495	1.3
81.03442	0.4
81.07066	1.4
81.55193	0.3
91.05466	1.1
93.07047	0.7
94.06599	0.6
95.04969	0.5
95.08623	1.2
105.07047	0.6
107.08627	0.8
117.07075	0.5
118.06545	0.9
119.08575	0.4
120.08105	0.6
121.10188	0.6
132.08107	0.5
133.10184	0.4
134.06015	0.9
140.19148	0.4
144.08080	0.8
149.09691	0.4
157.10118	0.4
158.09720	0.5
165.12694	0.4
171.09341	0.4
195.09192	0.6
197.10825	0.5
207.09070	0.7
208.09952	0.6
209.10771	1.2
210.11536	1.0
211.08714	0.6
211.12294	0.7
212.13156	0.6
219.09111	0.5
220.09966	0.6
221.10820	1.2
222.11597	0.9
223.08717	0.5
223.12300	2.0
224.13203	0.5
225.10364	0.9
225.13818	1.9
235.08745	0.6
235.12340	1.0
236.13190	0.5
237.10251	0.8
237.13834	3.1
238.14641	0.7
239.08212	0.5
249.10355	0.5
249.14014	0.6
251.08296	0.6
251.11969	0.9
253.09891	0.5
253.13428	0.9
254.14323	0.4
263.08432	0.4
263.11807	0.6
265.09866	1.0
275.08081	0.6
277.09842	0.6
291.07742	0.6
293.09247	0.4
295.14569	2.3
299.10965	0.4
302.12985	0.5
307.11084	0.4
309.08643	0.6
314.13168	0.8
324.11368	0.9
325.12155	0.6
326.12936	0.7
327.10455	0.4
327.13940	0.4
328.10791	0.5
328.14536	0.4
330.12241	0.5
337.27518	0.5
338.12830	0.7
340.14600	0.7
341.11624	0.4
342.12546	0.7
346.12430	0.4
352.14825	0.5
354.12363	1.0
355.13205	0.5
356.14011	1.0
370.15759	0.4
375.12247	0.4
380.14398	0.5
382.15863	0.5
387.16437	0.5
388.12750	0.5
388.17310	0.5
389.17969	0.4
398.15192	0.7
402.14517	0.6
403.15552	1.2
403.19821	0.8
404.16354	0.5
410.15045	0.4
414.14502	0.5
415.15356	0.7
416.16537	1.2
417.17087	1.4
418.17941	0.7
426.14883	0.7
427.15353	0.8
428.16577	0.8
429.17166	1.4
430.18170	1.3
431.19324	2.0
433.20828	0.6
440.16238	1.1
441.17209	1.8
442.18445	0.6
443.15082	2.5
443.19833	0.7
444.15927	1.2
445.20343	1.5
446.21506	0.6
447.22284	0.6
449.19885	0.5
454.17737	0.4
455.18741	1.5
456.15710	0.6
457.15839	3.0
458.16553	2.2
459.18234	1.8
461.19684	0.5
468.16061	0.4
469.16583	0.6
469.20306	0.4
471.21753	2.0
472.19360	1.2
473.19873	4.4
474.20850	1.8
475.21173	1.4
477.19553	1.1
478.19888	0.9
483.18405	1.1
484.18527	0.5
485.16589	1.6
486.16812	1.1
487.22055	5.4
488.22644	2.3
489.19293	1.1
490.20071	0.8
491.20621	0.9
497.19638	0.9
498.20752	1.2
499.21899	4.1
500.18246	0.9
501.19254	8.6
502.19998	2.7
503.21014	0.5
504.21588	0.5
505.22089	1.6
515.20795	10.4
516.13953	0.5
516.21564	9.0
517.22516	2.8
518.20178	0.5
519.24194	1.1
520.24493	0.5
526.20367	1.2
527.21307	2.0
529.22046	0.6
531.23694	0.7
533.21906	3.7
537.21082	0.6
542.23260	0.8
543.20508	1.5
544.21356	0.7
545.20660	0.4
547.23511	4.8
548.24152	0.8
551.26563	0.4
551.37274	0.6
557.22113	1.0
561.21375	1.1
565.24756	0.5
575.22980	10.7
576.23639	0.6
579.25836	1.6
585.21313	0.7
586.21997	2.5
589.24847	0.7
607.25531	6.1
608.26422	0.7
617.24091	5.4
618.24243	1.4
635.25024	100.0
636.25256	5.1
639.28320	1.7
649.26563	17.4
650.26813	1.1
667.27643	12.5
668.27875	0.8
699.30811	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	698.5205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	11.1
55.01861	7.5
55.05514	48.7
57.03414	13.3
57.07060	9.3
57.28554	3.6
59.04992	5.0
67.05509	100.0
69.07069	38.1
71.00284	7.9
71.04982	4.6
71.08634	25.2
79.05495	62.6
81.03420	6.1
81.06596	5.8
81.07059	96.8
83.04965	21.7
83.08630	32.3
85.06572	6.3
89.06052	4.4
91.05484	59.4
92.63879	3.6
93.07056	83.3
95.04959	22.9
95.08605	47.2
97.06510	15.2
97.10144	12.1
99.08094	18.5
103.49763	4.0
105.07024	39.2
107.04949	5.3
107.08624	38.1
109.06496	7.9
109.10146	30.7
111.08051	10.4
112.26001	4.2
117.07029	21.8
119.08586	26.8
121.06525	6.7
121.10143	27.7
123.08061	4.2
123.11703	6.7
125.09643	7.4
129.06998	9.1
131.08546	21.3
133.10143	25.6
135.11682	14.5
136.06195	9.1
137.09639	6.3
139.11110	5.9
143.08498	7.8
145.10139	12.5
147.11694	17.8
149.13295	20.0
151.11203	23.6
157.10139	6.8
159.11652	17.5
161.13280	11.7
163.11183	13.0
163.14757	4.0
165.12758	4.9
171.11615	6.9
173.11687	8.7
173.13145	4.9
175.14841	4.0
177.12726	9.0
179.14381	8.2
184.07333	4.8
185.13304	4.8
195.13808	12.1
219.30568	4.1
227.12727	4.1
229.14310	8.9
259.20557	10.7
267.15820	5.3
269.17505	37.6
277.21622	34.1
287.96057	4.0
351.25354	31.4
393.00140	4.0
423.27301	8.6
463.30710	48.8
471.34558	5.7
527.37323	9.4
545.38556	36.4
555.98846	4.1
575.23383	6.3
635.24341	15.3
698.43951	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	696.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.8
55.05307	2.2
55.05519	22.4
57.03436	7.9
57.07088	10.2
59.05004	2.9
61.02935	28.2
65.03945	5.0
65.45472	2.1
67.05510	93.7
68.05836	2.7
69.03428	5.2
69.07074	26.9
69.19347	6.1
69.19769	14.9
71.04983	3.3
71.08634	3.7
73.02914	9.1
74.09772	2.1
75.04471	1.9
76.09820	1.9
79.05492	30.8
81.03411	9.0
81.07066	90.9
83.04985	3.9
83.08627	20.3
85.02918	32.8
85.10179	3.1
91.03958	22.0
91.05482	24.5
93.07055	36.1
95.04955	3.9
95.08617	84.0
97.02912	16.2
97.06544	7.8
97.10197	15.5
105.07033	20.3
107.08599	19.4
109.02851	2.9
109.06518	2.8
109.09473	4.2
109.10167	43.5
111.08094	3.9
111.11729	4.0
115.03936	2.3
117.07007	2.4
119.08597	15.9
121.10153	23.9
123.08114	2.5
123.11716	20.8
125.09624	6.2
127.03903	8.8
133.10149	20.6
135.11691	14.8
137.09621	2.5
137.13254	8.6
141.12788	5.1
145.04990	11.3
147.11713	13.6
149.13268	8.4
151.14818	6.2
153.12723	2.6
155.14209	4.5
161.13275	10.7
163.06044	17.9
163.14803	11.3
165.16428	9.8
175.14821	11.3
179.17961	6.2
189.16388	6.3
215.18129	2.3
221.34193	2.1
245.22664	60.1
246.96349	2.0
256.96643	2.0
258.27890	2.7
263.23724	100.0
281.24576	2.3
307.22656	5.3
337.27396	66.8
355.28464	10.7
461.32623	2.5
462.33093	10.1
499.32791	6.3
516.33948	3.2
525.85693	2.5
588.35138	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	696.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.0
55.01877	2.4
55.05513	18.8
57.03429	6.7
57.07080	11.3
59.04988	3.6
61.02651	2.2
61.02932	29.9
63.35025	1.4
65.03954	1.7
67.05511	69.1
68.81972	1.5
69.03432	4.1
69.06731	2.6
69.07076	27.6
69.34701	4.6
69.35128	9.0
71.04977	3.3
71.08633	5.4
73.02924	9.2
79.05493	22.1
81.03410	3.1
81.07063	84.5
83.04976	2.0
83.08623	17.8
85.02914	26.8
85.06532	2.8
85.10178	3.7
86.09704	1.6
87.04511	1.8
91.03957	25.4
91.04472	2.7
91.05485	15.2
93.07052	25.2
94.48795	1.6
95.08615	74.0
97.02902	15.2
97.06540	8.0
97.10185	12.6
99.04462	2.6
99.08099	4.1
102.29231	1.5
105.07044	12.0
107.08599	20.4
109.06585	2.2
109.10158	37.4
111.08070	3.6
111.11750	4.0
113.09657	2.7
113.83208	1.7
115.03976	2.0
119.08578	15.0
121.10155	24.4
123.11710	19.2
127.03931	8.6
133.10139	19.0
135.11705	14.6
137.09657	2.7
137.13252	8.9
139.11171	4.3
141.12738	2.4
145.04970	13.8
145.10182	2.0
147.11722	11.6
149.13263	11.2
151.14867	7.4
153.34152	1.6
155.14362	4.7
161.13272	16.0
163.06023	26.2
163.14853	10.7
165.16447	8.2
175.14832	11.8
177.16313	1.7
179.14250	2.4
179.17973	7.0
184.07359	4.7
189.16411	6.9
203.17964	1.7
207.17427	1.9
217.19449	2.9
227.12770	1.8
245.22667	70.5
262.25421	2.4
263.23721	100.0
265.25357	2.4
274.86459	1.7
281.24789	2.4
337.27408	52.8
339.46652	1.6
355.28348	9.0
389.81400	1.6
473.21014	1.8
553.48560	1.7
620.27911	2.1
696.46454	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	694.401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37130	1.6
52.92069	1.8
53.03946	3.5
55.05516	14.1
57.03423	5.2
57.07063	2.3
61.02932	28.8
67.05508	70.0
69.03429	5.8
69.07079	12.4
70.67419	3.7
71.04994	2.7
73.02941	9.6
78.34769	2.0
79.05499	42.4
81.03439	2.6
81.07061	73.7
83.08619	6.9
85.02907	33.5
91.03965	27.1
91.05483	21.9
93.06486	3.6
93.07047	53.1
95.04978	3.1
95.08615	51.5
97.02904	15.2
97.06566	3.5
97.10198	2.4
99.04447	3.6
99.08094	2.6
105.07059	17.7
107.08603	37.0
109.06544	1.7
109.10162	28.3
111.30822	1.7
113.09680	2.4
117.07019	8.3
119.08596	13.8
119.87935	1.8
121.09327	3.0
121.10146	33.7
123.11730	13.6
127.03927	8.1
131.08556	19.7
133.10136	13.6
135.11707	31.1
137.09636	2.1
137.13274	5.6
145.05000	13.4
145.10139	13.7
147.11717	9.6
149.09761	1.9
149.13275	22.0
159.11716	15.0
161.13229	10.3
163.06041	22.0
163.14841	14.1
165.12746	4.0
173.13307	17.6
175.14842	2.9
177.16391	7.5
187.14876	9.8
201.16405	2.6
205.15808	2.6
212.88702	2.0
233.22661	4.5
243.21097	38.9
261.22156	100.0
262.22510	2.7
263.23773	2.9
335.25827	18.5
353.26895	45.6
354.27261	2.3
432.95862	2.2
497.30923	2.1
633.82971	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	694.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	4.9
53.03938	14.5
54.07594	5.5
55.01853	6.0
55.05521	23.7
57.03440	28.6
61.02931	37.3
66.21678	5.7
67.05509	94.4
69.03430	38.6
69.07063	28.7
70.06585	5.5
70.18423	16.2
71.05000	7.2
73.02910	22.7
75.04485	16.6
79.05496	68.5
80.57957	4.3
81.03416	27.1
81.07056	92.6
82.10758	4.9
83.04992	19.0
83.08623	15.9
85.02905	76.9
85.06567	6.6
91.03953	46.6
91.05485	71.9
93.05526	56.7
93.07051	100.0
95.04951	20.0
95.08609	70.0
97.02895	35.3
97.06521	10.8
97.10164	6.6
99.04482	11.9
101.49062	4.9
103.03938	7.8
105.07039	69.2
107.04957	9.1
107.08601	56.4
109.02896	12.5
109.06513	12.6
109.10172	38.6
111.04458	11.8
117.07005	31.9
119.08585	41.6
121.06482	8.8
121.10133	47.2
123.08038	8.1
123.11703	15.6
127.03897	28.4
128.06197	4.9
129.07016	22.0
131.08577	42.7
133.06548	10.2
133.10132	39.5
135.11711	27.0
137.09644	6.5
143.08557	16.2
145.04980	27.6
145.06516	7.1
145.10141	40.1
147.08122	5.5
147.11728	25.5
149.13281	20.6
155.08540	11.0
157.10190	14.5
159.08116	6.5
159.11723	30.7
161.09644	9.9
161.13281	18.5
163.06047	57.5
167.08545	9.4
169.10149	13.6
171.08055	12.4
171.11665	13.3
173.09601	5.0
173.13283	19.7
175.11183	6.5
175.14796	7.1
177.12645	5.7
181.10245	7.7
183.08180	7.3
183.11749	10.9
185.13274	9.4
187.14822	10.9
195.11783	8.6
197.13284	6.6
211.11253	5.7
235.13339	6.5
255.10756	8.4
259.20590	8.7
261.22214	19.3
264.08789	5.4
273.22116	5.8
277.21695	13.5
289.21704	10.5
291.23370	6.9
301.21597	10.6
303.23215	13.6
313.21729	6.2
315.23184	13.5
319.22812	5.3
327.23187	7.9
341.24832	10.2
351.23184	15.2
359.26035	5.6
369.24237	47.8
387.25311	45.1
405.26328	58.9
423.27353	21.6
457.06314	5.2
460.24469	6.9
476.26971	7.0
477.25113	5.6
478.25345	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	694.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	2.5
53.03945	4.5
55.01877	8.1
55.05511	4.8
57.03437	7.8
61.02917	3.5
65.03938	1.9
66.17699	1.3
67.05509	31.1
69.03420	2.5
69.07071	7.6
69.36713	4.2
69.37122	4.4
70.06590	9.9
71.01370	1.3
71.04996	2.2
72.08150	4.7
72.99409	1.1
73.02907	4.7
77.03920	1.2
79.05500	73.9
81.03434	8.9
81.07065	26.1
82.28867	1.1
83.04986	11.8
83.08601	2.8
84.04491	2.1
84.08141	3.9
85.02905	4.4
85.06531	3.6
86.09724	6.0
91.03953	1.2
91.05486	29.8
93.07052	25.5
95.01331	2.5
95.04964	12.1
95.08618	12.8
96.13902	1.0
97.02877	1.9
97.06518	10.8
99.00823	13.2
99.04451	2.1
103.05464	4.0
105.04503	1.6
105.07037	96.1
107.04962	31.4
107.08608	23.9
109.06509	5.4
109.10146	3.2
110.07125	1.4
111.04437	17.5
111.08056	3.9
115.05457	3.8
117.07032	12.1
119.08588	9.2
120.08094	2.7
121.06483	3.7
121.10149	25.1
123.04451	4.1
123.08089	7.2
125.05984	2.3
129.06984	4.9
129.10275	2.9
130.07742	1.6
131.04912	3.2
131.08585	10.4
132.05817	1.4
133.06500	39.9
133.10109	2.2
135.04393	2.0
135.08102	7.5
135.11708	25.8
137.05974	2.0
139.66072	1.1
145.06505	6.9
145.10141	30.4
147.08038	2.4
149.09624	4.2
151.07558	43.6
153.12746	7.9
155.08549	9.9
163.11195	32.9
167.65533	1.2
173.09642	23.8
179.07062	4.5
181.12257	13.2
184.07336	3.1
191.10664	16.5
209.11696	7.9
215.09094	2.3
227.12759	9.4
253.10780	2.7
255.15703	1.2
265.14377	70.8
271.11777	60.0
271.14737	2.6
272.12042	1.8
273.13333	1.6
283.15421	55.5
301.16470	36.7
302.16788	1.5
311.08737	1.3
446.31885	1.3
448.66568	2.5
461.21655	4.7
468.67410	1.4
479.22800	100.0
480.23050	4.1
497.23871	99.5
498.23929	3.7
694.40668	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	693.509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29658	2.0
53.03949	6.8
55.01881	3.7
55.05515	22.1
55.88548	1.7
56.06178	2.3
57.03445	1.9
57.07074	7.2
59.05001	2.4
61.36556	1.8
65.03942	4.4
66.54974	2.1
67.05512	63.0
69.03442	18.1
69.07077	27.8
70.63239	5.7
71.04980	4.6
79.05497	41.3
81.03420	12.7
81.07063	100.0
83.05013	5.5
83.08622	12.9
85.02921	8.8
85.06544	2.7
91.05492	37.1
93.07053	73.5
95.04967	14.0
95.08614	91.0
97.02905	4.9
97.06564	4.1
97.10173	6.9
99.04462	2.5
103.05482	2.7
105.07040	62.5
107.08604	60.2
107.09311	3.5
108.45937	2.0
109.06524	6.4
109.10162	56.7
111.04480	7.6
111.08099	2.7
115.03942	2.9
116.70294	2.0
117.07030	14.2
119.08594	57.8
121.06504	3.6
121.10152	49.3
123.04436	2.5
123.08083	3.1
123.11726	19.9
127.03965	4.9
128.06219	4.1
129.05510	2.6
129.07010	10.1
130.07793	2.9
131.08569	30.1
133.06497	2.9
133.10135	38.3
135.08101	2.3
135.11705	33.4
137.13306	6.9
139.07526	2.4
141.07045	6.1
142.07829	6.8
143.08575	22.1
144.09367	3.7
145.06567	2.7
145.10135	45.3
147.08101	2.4
147.11700	29.3
147.12816	2.6
149.09706	3.9
149.13272	23.3
155.08626	6.8
156.09352	4.6
157.10135	22.7
159.11710	35.5
161.09743	2.4
161.13261	21.9
163.11241	2.4
163.14821	16.5
165.06979	2.2
167.08583	3.2
168.09242	2.1
169.10165	12.9
171.11673	18.3
173.13271	21.4
175.14838	13.2
177.16469	7.6
181.10150	4.3
183.11746	12.6
184.07491	2.3
185.13298	15.1
187.14838	17.0
189.16426	12.5
191.18126	3.8
193.10225	3.7
195.11783	4.8
196.12463	2.2
197.13341	7.1
199.14865	14.5
201.16353	9.8
203.14500	2.2
203.18047	8.5
206.10933	2.1
207.11664	2.1
209.13333	5.3
211.14885	9.4
212.96870	1.9
213.16467	8.5
215.17978	10.9
217.15906	1.9
217.19609	7.4
223.14871	4.5
225.16573	4.7
227.12685	2.2
227.18080	8.8
229.19598	4.7
235.14915	2.4
237.16533	5.0
239.17984	5.1
241.19592	7.3
243.21043	11.1
245.22778	6.5
251.17924	3.7
253.19603	3.0
255.21239	7.4
257.22827	9.6
259.20602	2.6
261.22211	3.7
265.19653	2.8
267.21112	3.7
269.22659	11.5
271.24448	2.4
281.22794	5.0
283.24292	4.8
293.22693	3.9
299.23828	2.7
311.23965	3.8
323.23560	2.2
361.25488	5.6
377.15817	2.3
379.26587	4.7
397.27438	4.2
451.53317	2.0
521.38641	4.0
639.47723	4.7
657.48486	9.3
675.49677	17.6
680.74133	2.5
693.51093	73.3
694.51801	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	692.345
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02949	1.1
55.05507	1.2
57.07087	1.4
59.05007	6.5
67.05498	3.8
69.07079	2.8
71.04980	1.2
79.05494	2.6
81.03434	1.5
81.07058	4.6
86.09736	1.2
87.21343	1.0
88.24051	1.3
91.05497	2.0
93.07068	2.5
95.04962	1.8
95.08623	2.3
97.10134	1.3
105.07049	1.6
107.08617	2.2
109.10219	1.0
117.09182	1.6
119.08575	1.5
121.10188	1.3
125.00066	1.6
128.74953	1.1
133.10127	1.5
134.91722	1.2
156.46782	1.0
184.07425	2.8
201.50623	1.1
215.12900	1.3
300.61938	1.2
419.22452	1.5
431.17740	2.2
432.18304	8.2
445.19070	1.9
446.19510	12.9
447.21222	2.0
460.21326	15.2
461.22202	11.0
474.22729	7.9
475.23581	2.6
476.24396	1.8
486.26602	2.3
488.24408	9.3
489.25549	3.0
502.22162	1.6
503.26794	17.6
516.24347	4.1
518.29315	4.9
530.25940	1.3
531.26459	17.9
532.27362	5.1
533.42078	4.8
534.25366	1.2
546.28656	31.3
576.29773	2.9
577.98578	1.3
590.31299	4.7
604.29041	11.2
605.33978	11.7
618.30811	19.1
632.32501	1.7
633.33160	100.0
634.33698	4.2
692.34509	88.1
693.34784	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	692.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87757	0.4
59.04954	0.4
71.24076	0.5
80.00764	0.4
80.30384	0.4
81.07001	0.6
86.09647	0.5
87.04406	0.6
88.00419	0.4
89.05981	0.6
93.06969	0.5
94.86803	0.4
95.08569	0.6
109.10135	0.4
118.96848	0.4
119.08515	0.5
130.12862	0.4
138.54625	0.5
147.84840	0.4
153.69852	0.4
160.95685	0.4
167.23582	0.4
182.82779	0.4
184.07259	1.3
191.04150	0.4
201.23814	0.4
245.67978	0.5
275.96637	0.4
315.48254	0.5
347.67548	0.5
381.82516	0.4
406.21423	0.7
419.22559	0.8
420.23358	0.5
431.17664	1.7
432.18027	6.3
433.19110	0.6
433.24368	0.7
445.19205	1.7
446.19391	11.8
447.20154	2.9
448.21408	0.5
460.21344	17.2
461.22113	10.2
462.22437	0.9
473.22467	0.6
474.22995	7.6
475.23602	3.4
476.24280	2.5
486.26807	2.5
488.24542	9.0
489.25082	2.2
502.22174	1.3
502.26019	1.3
503.26831	15.3
503.34277	0.8
504.27371	1.0
511.94708	0.5
516.23987	4.2
517.24591	1.0
518.22028	0.7
518.29205	5.4
530.25372	1.5
531.26343	15.7
532.27283	5.7
534.25403	1.0
545.27515	0.6
546.28705	27.3
547.29028	1.7
548.26917	1.6
562.28180	2.9
563.28796	0.8
576.30219	2.2
581.03204	0.5
588.33496	0.5
590.31512	4.0
603.28656	0.6
604.29187	11.2
605.33765	8.0
606.32446	0.6
618.30786	18.3
619.31042	0.6
623.28345	0.5
632.32184	1.4
633.33118	78.8
634.33368	4.3
692.34442	100.0
693.34808	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	691.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01873	1.6
55.05516	3.8
57.03451	2.6
57.07067	1.0
59.04995	1.9
61.02932	5.8
67.05177	0.9
67.05508	11.3
69.03425	3.7
69.07076	4.4
69.92487	2.1
71.01350	0.5
71.05035	0.8
73.02917	4.2
79.05495	6.4
79.25291	0.6
81.03415	2.7
81.07060	8.3
83.04997	0.9
83.08614	2.8
85.02911	6.1
85.06548	0.6
87.04488	0.9
89.06017	1.1
91.03973	3.3
91.05479	4.2
93.07052	5.7
95.04962	1.1
95.08613	6.0
97.02892	4.9
97.06539	0.9
97.10164	1.5
98.21401	0.7
98.98489	2.2
99.04469	1.6
101.02377	2.1
105.07039	2.9
107.04968	1.0
107.08583	3.1
109.02870	1.2
109.10159	7.2
110.10618	0.5
111.04462	0.6
115.03925	0.6
117.07015	1.0
117.09186	0.6
119.08572	3.2
121.10135	2.4
123.11743	0.9
127.03940	1.7
131.08582	2.8
133.08615	0.6
133.10132	2.4
135.11713	2.0
137.09633	0.7
143.08572	0.9
145.10130	2.6
147.11732	1.4
149.13269	0.9
155.01097	0.7
155.08727	0.7
157.10158	1.2
159.11714	1.4
161.13220	0.6
163.11227	1.9
171.11887	0.6
173.09595	0.6
173.11772	1.2
173.13196	1.0
184.07344	2.5
191.10663	0.9
195.10052	0.6
197.13329	0.6
209.11830	1.4
232.82166	0.5
236.50316	0.6
243.08498	1.1
265.14297	0.7
282.22610	0.5
283.15521	0.8
311.25842	1.8
335.25867	0.9
413.17792	4.7
421.20996	0.6
501.07370	0.5
501.35742	0.9
519.29388	7.7
519.37000	7.5
546.53870	0.6
659.26947	0.6
691.40259	100.0
692.40845	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	691.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
61.05458	0.3
66.76780	0.3
67.05503	0.8
69.03455	0.4
69.07035	0.3
70.62335	0.5
70.62675	0.4
81.07046	1.6
85.02911	0.8
91.05501	0.5
93.07073	0.7
95.08610	1.0
97.02905	0.8
101.12688	0.3
105.07043	0.8
107.08614	1.2
109.10173	1.1
119.08609	0.8
121.10183	0.6
127.02400	0.3
132.55753	0.4
145.10135	0.5
147.11710	0.4
149.13310	0.4
163.14832	0.7
205.07172	0.5
215.18100	0.5
231.33351	0.3
272.24704	0.5
284.14752	0.3
399.14536	0.4
400.15326	0.8
401.16254	0.5
413.16107	0.7
414.16931	0.5
427.18143	0.4
428.14362	0.5
429.15738	1.1
430.16461	1.2
442.16727	1.2
443.17264	1.2
444.18112	0.9
455.13242	0.4
456.13702	0.8
457.18976	4.4
458.19730	1.1
459.20319	0.4
467.17389	0.7
469.15176	0.5
470.12137	1.0
470.16501	0.4
473.18335	0.5
483.12280	3.8
484.13681	8.4
485.14648	1.4
485.19302	0.6
495.17001	0.5
496.17599	0.5
497.14828	2.2
498.15308	5.3
499.15961	2.8
500.16901	0.5
510.19037	0.8
511.15704	2.5
512.16888	5.8
513.17731	18.0
514.18372	6.0
515.19684	0.4
523.16132	5.7
524.16632	0.7
525.17560	2.4
526.18506	1.6
527.19476	5.9
528.20227	0.6
531.19019	0.8
541.21130	0.5
545.24139	0.8
555.18567	2.3
556.20605	0.5
557.23700	0.6
569.20575	0.4
572.19055	0.4
573.20654	1.0
589.35413	0.3
599.21747	1.3
600.22211	2.3
601.23224	5.1
602.22180	0.5
614.23907	1.0
617.22705	0.4
623.22083	0.4
632.24451	0.6
659.23572	1.0
660.24048	2.7
661.24542	0.6
673.25262	1.7
676.23718	0.5
691.26172	100.0
692.26312	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	691.262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.3
57.03432	0.3
59.04046	0.3
66.91557	0.2
67.05512	0.5
69.14712	1.7
69.15136	1.4
70.06594	0.6
72.08138	0.5
79.05500	0.5
81.03444	0.3
81.07076	0.9
84.08145	0.5
89.06035	0.7
92.81812	0.2
93.07035	0.6
95.08628	0.6
95.75918	0.3
99.63249	0.3
105.07037	0.4
107.08614	0.6
109.10210	0.3
112.08796	0.3
119.08603	0.6
121.10167	0.3
129.07005	0.3
133.08595	0.4
145.10170	0.3
147.11678	0.3
149.02367	0.4
228.60208	0.3
354.91379	0.3
386.14056	0.5
399.14844	0.5
400.15582	1.6
401.16360	0.5
403.17853	0.6
404.18472	0.3
413.16245	1.0
414.17532	0.6
415.13809	0.6
416.14618	0.4
427.13486	0.4
427.18289	0.5
428.14566	0.8
429.15097	1.9
430.16275	3.2
431.17361	1.4
441.19489	1.1
442.16888	0.9
443.17422	2.8
444.18222	2.0
445.18677	0.8
452.15054	0.4
453.15741	0.3
454.16763	0.6
455.17590	0.7
456.14243	1.1
457.19150	3.3
458.19717	2.2
459.21149	2.4
467.17215	1.2
468.18503	0.6
469.19562	0.6
470.12628	1.2
471.20865	0.8
473.18469	0.7
477.21600	0.6
483.12790	1.4
483.17490	1.1
484.13348	4.4
485.13699	0.8
485.19641	2.3
486.11230	0.5
486.19025	0.5
487.20169	0.6
495.16772	0.7
496.17258	0.7
497.14407	1.4
497.18643	1.6
498.14853	2.2
499.16190	2.9
502.18967	0.3
509.17871	0.3
510.19223	0.7
511.16028	2.7
512.16864	4.0
513.17566	6.6
514.18561	3.0
515.18591	0.7
516.20093	0.5
523.15863	2.4
525.17712	3.3
526.18896	1.0
527.19672	1.3
529.21527	1.4
539.16766	0.4
543.19141	0.4
544.19562	0.5
545.24756	1.8
555.19244	0.9
571.18542	0.7
573.23907	2.5
574.21692	0.4
585.19977	0.9
587.21179	0.3
589.22662	0.6
599.21552	1.1
600.22168	2.9
601.23041	10.3
602.21777	1.1
614.23694	0.4
615.24701	0.4
617.22540	1.8
631.23529	0.4
632.24561	1.6
633.21722	0.7
659.23895	0.8
660.24359	0.5
673.25134	0.9
676.24030	1.2
691.26178	100.0
692.26416	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	690.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03531	1.1
53.03951	11.2
55.01862	3.1
55.05517	17.3
57.03428	4.9
57.07074	2.8
58.06565	1.2
61.02931	6.3
65.03928	3.6
65.81775	1.0
66.37232	1.1
67.05510	37.3
69.03436	34.3
69.06736	1.5
69.07076	22.4
70.06594	7.0
71.04987	2.7
71.08616	1.6
72.08155	2.7
73.02906	5.0
77.03918	1.6
78.33807	1.2
79.05502	31.9
81.03426	40.2
81.07063	100.0
82.07396	1.0
83.04972	1.9
83.08627	9.6
84.04485	1.5
84.08156	1.9
85.02913	45.0
86.09700	3.3
86.99339	1.2
91.05486	33.6
93.07052	69.4
95.04971	5.3
95.06084	3.5
95.08614	80.8
97.02895	22.2
97.06559	2.2
97.10178	6.8
99.04469	8.5
101.05969	1.5
103.03949	3.1
103.05404	1.8
105.04480	1.3
105.07040	60.3
107.08604	80.1
109.02891	34.3
109.06558	2.6
109.10165	65.6
110.07168	1.9
111.11725	2.2
112.08736	1.5
113.08158	1.2
115.03930	1.5
115.05394	1.3
116.07062	1.5
117.07043	6.2
119.08591	62.0
121.10153	51.4
123.04489	1.3
123.08128	1.6
123.11727	21.8
125.09666	1.8
127.03925	37.2
129.07011	2.1
130.07790	1.6
131.08580	14.6
133.04994	2.2
133.10138	28.3
135.10713	1.8
135.11700	27.0
137.13249	4.4
138.10304	1.8
142.07748	1.2
143.08575	2.9
144.09349	2.2
145.04990	8.2
145.10138	22.8
147.11696	30.6
147.89500	1.3
149.13272	35.6
151.14835	1.9
157.10091	3.7
159.11697	30.2
161.13277	30.0
163.14847	25.5
169.05002	2.4
173.13301	11.3
175.14833	24.6
177.16402	11.9
183.41530	1.1
184.07307	1.6
185.13327	1.6
187.06039	28.3
187.14824	9.9
189.16400	13.3
191.17952	3.8
201.16397	17.6
203.17996	11.9
205.07089	21.4
213.16351	1.7
215.17981	30.4
216.18890	1.2
227.18027	1.4
229.19554	3.3
231.21056	2.5
243.21126	1.8
269.22455	1.6
271.24228	40.3
272.24713	1.4
282.76675	1.1
289.25171	5.5
484.13699	2.3
512.17059	1.4
513.17621	5.1
514.18488	1.3
592.09113	1.2
601.22791	2.9
649.21423	1.6
690.44354	2.6
691.26202	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	690.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.3
55.01873	3.8
55.05513	19.1
57.03414	3.3
57.07063	5.8
59.04997	2.3
61.02913	5.2
63.75831	1.9
65.03945	2.3
67.05183	2.8
67.05509	41.2
69.03430	17.6
69.07074	21.6
70.03626	4.1
70.04017	3.4
70.06573	2.6
71.04971	3.2
71.08614	1.8
73.02905	3.3
79.05501	32.8
80.04977	1.6
81.03423	16.4
81.07063	100.0
83.04966	2.1
83.08635	8.0
85.02911	49.6
87.04485	2.2
89.05976	2.1
91.05484	30.9
92.18723	1.5
93.07048	68.1
93.26019	1.7
95.04960	5.6
95.06113	3.5
95.08612	89.8
97.02900	12.8
97.10178	7.4
99.04464	5.4
103.03923	5.6
105.07040	58.8
106.66794	1.7
107.08599	75.6
109.02877	18.0
109.06497	2.1
109.10163	67.2
110.07178	2.8
110.49227	1.7
111.08076	2.3
111.11710	2.8
114.33064	1.6
117.07015	6.5
119.06062	1.8
119.08587	67.4
121.10153	60.3
123.08073	2.2
123.11713	25.4
127.03922	24.6
131.08586	10.7
133.10141	30.4
135.11700	25.7
137.13242	3.6
138.10202	2.6
143.08589	1.8
144.09290	2.9
145.04936	10.6
145.09088	2.1
145.10146	23.6
147.11699	28.3
149.13268	34.3
159.11694	35.2
161.13269	31.7
163.14842	28.3
166.05574	1.9
169.04947	4.2
172.56976	1.6
173.13310	14.2
175.14838	18.7
177.16385	11.6
187.06003	20.3
187.14896	10.2
187.30873	2.0
189.16402	12.3
191.18027	2.4
201.16412	17.2
203.17973	9.0
205.07085	38.6
215.17961	33.6
226.84827	2.0
229.19501	4.7
231.21075	5.0
271.24240	39.7
289.25253	5.0
470.29715	2.1
690.45386	7.9
691.26038	8.0
701.53796	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	690.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	18.5
55.05514	15.8
57.03429	4.4
57.07071	3.7
61.02920	4.8
66.73584	2.6
67.05502	40.0
69.03432	30.0
69.07065	18.1
70.06593	7.3
71.04035	8.4
73.02921	5.8
75.72169	2.8
79.05497	28.9
81.03416	37.6
81.07063	100.0
81.07538	5.5
82.83236	3.1
83.08609	9.8
85.02440	3.4
85.02909	36.4
91.05470	26.6
93.07047	62.1
95.04945	3.5
95.06100	5.3
95.08615	77.4
97.02905	17.8
97.10178	10.7
99.04460	10.4
105.07035	64.4
107.08593	74.9
109.02892	40.5
109.10157	59.3
117.06996	9.4
119.08594	57.2
121.10149	52.0
122.81889	3.0
123.11711	21.7
127.03912	37.0
129.30901	3.5
131.08556	15.1
133.10135	26.9
135.11682	29.8
137.13269	3.4
145.04964	11.4
145.10150	18.3
147.11694	30.2
149.13263	35.0
157.10106	4.4
159.11708	33.8
161.13261	34.0
163.14815	26.2
173.13280	12.1
175.14804	22.3
177.16386	13.0
185.41769	3.0
187.06055	34.4
187.14871	11.4
189.16388	11.7
191.17906	4.3
201.16418	19.1
203.17984	7.0
205.07059	18.3
215.17986	24.0
221.21213	3.3
229.19521	6.0
231.21016	3.4
243.21008	4.0
271.24219	46.8
289.25092	4.2
301.85352	2.9
381.58148	3.3
385.57513	3.0
438.68738	3.1
513.17688	3.3
521.41241	3.0
583.70825	3.1
691.26056	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92625	1.8
53.03939	10.5
55.01868	3.5
55.05512	22.8
57.03432	4.5
57.07079	48.1
59.04994	2.0
65.03934	3.9
67.05506	41.4
69.03437	29.8
69.06729	2.8
69.07074	31.8
71.05000	3.2
71.08636	35.0
71.50903	2.4
73.02920	4.2
74.67422	2.1
79.05057	2.8
79.05494	23.8
81.03001	2.4
81.03431	40.7
81.07063	100.0
83.04985	3.9
83.08630	20.8
85.02914	18.2
85.10189	18.5
87.04455	2.7
89.06038	2.2
91.05482	23.1
93.07055	46.1
95.04956	8.1
95.08616	79.7
97.02898	27.5
97.06513	3.1
97.10178	12.8
99.04466	6.8
99.08144	2.4
103.03934	2.4
105.07041	45.9
107.04974	3.0
107.08604	55.0
109.02888	17.5
109.06508	4.5
109.09478	3.7
109.10166	56.2
111.04439	5.1
111.11740	3.7
115.03945	2.5
115.05443	2.2
117.07018	6.9
119.07725	2.6
119.08587	53.0
121.06502	2.8
121.09328	3.7
121.10150	48.8
121.40379	2.2
122.53924	2.3
123.04453	2.2
123.08113	2.2
123.11715	32.0
125.05974	2.4
127.03934	24.7
127.11208	2.1
129.07013	4.3
130.07785	2.2
131.08575	14.6
133.10135	28.0
135.11693	27.6
137.05983	3.6
137.09601	2.3
137.13271	10.0
139.11186	2.3
143.08569	3.4
144.09303	1.9
145.04944	7.7
145.10121	27.3
147.11713	30.6
149.13263	36.3
151.14864	4.9
155.08588	2.8
157.10181	9.4
159.11720	34.8
161.09567	2.5
161.13258	30.5
163.14857	19.6
169.10124	4.5
171.11720	6.9
173.13275	23.1
175.14871	19.8
177.16400	4.2
185.13199	6.5
187.14876	16.0
189.16423	14.0
189.84001	2.4
191.17969	5.5
197.13341	3.6
199.11276	2.4
199.14874	5.6
201.16396	20.4
203.17953	8.0
209.13240	3.6
211.14973	2.6
213.14584	2.0
213.16451	8.0
215.17975	20.3
217.19437	3.9
227.17924	3.8
229.19565	6.2
231.21083	16.1
233.19157	2.6
239.23729	27.2
241.19530	3.2
243.21089	4.7
255.21191	2.7
257.22321	3.0
257.24820	2.8
269.22653	11.8
271.24228	77.2
273.25916	2.4
287.23718	5.4
289.25275	20.7
295.24127	3.3
301.25064	2.1
355.26352	2.4
361.25201	2.8
364.90894	2.4
379.26321	8.6
383.27914	26.9
397.27307	8.7
401.28915	7.3
415.28577	3.0
517.38684	4.0
653.51202	5.3
671.52417	5.7
689.52155	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	689.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29469	0.9
55.05511	1.2
57.07079	1.8
57.16526	0.7
59.04998	1.0
67.05502	2.6
71.08599	1.1
72.04360	0.9
76.86026	0.9
79.05515	0.9
81.03439	1.4
81.07059	2.1
86.09718	3.0
89.06040	2.3
91.05486	1.4
92.79668	0.9
93.07038	2.0
95.08598	2.1
98.20695	2.0
105.07047	1.0
107.08578	1.0
109.10133	1.3
119.08509	0.9
125.00014	2.5
131.08604	0.9
133.08607	2.3
133.10097	0.9
145.10075	1.0
149.14436	0.8
175.74991	0.9
177.11169	1.3
184.07362	8.8
185.07663	1.2
187.91132	0.9
215.73122	0.9
326.40570	1.0
384.12158	3.3
385.12991	5.1
386.13766	1.7
397.13043	2.0
398.13791	9.0
399.14569	15.3
400.15549	21.6
401.17105	1.8
411.14771	2.4
412.15457	9.7
413.16177	21.5
414.16986	13.9
416.14981	1.7
418.17609	1.9
423.14386	1.0
424.15488	1.1
425.16034	2.6
426.16821	3.7
427.18393	12.6
428.18652	19.6
429.19510	14.0
439.17606	1.1
440.14618	3.0
441.14908	5.8
442.16354	16.5
444.14130	1.9
445.14673	1.7
446.17010	1.2
449.16046	1.0
455.17154	35.9
456.17703	16.8
457.14658	1.2
457.18625	1.4
458.15765	3.7
459.16510	7.2
460.16934	1.3
468.17474	1.2
469.14957	3.4
473.18839	1.8
481.15173	2.8
482.15814	1.2
483.16687	25.5
484.16748	11.6
486.19211	2.2
487.15903	3.1
488.16483	3.1
495.16580	1.1
498.15796	1.2
499.16187	7.5
500.16620	3.2
501.18011	1.3
509.14462	1.4
511.19141	3.7
513.13464	1.6
515.19287	1.9
516.19983	1.4
523.16138	3.1
524.16486	1.5
527.15625	27.6
528.15833	20.2
537.17462	1.3
538.18445	2.3
539.19366	12.3
543.22375	18.7
571.21942	100.0
572.22021	6.4
573.19611	1.2
574.24304	9.9
586.21021	1.3
587.20996	2.6
599.28400	1.1
601.23041	7.5
602.23810	31.0
603.23761	1.5
615.20660	4.9
617.26154	1.7
627.27655	1.4
629.22498	36.3
630.22821	62.8
631.22107	3.1
633.26007	1.0
643.23688	1.3
657.21942	63.1
658.22394	4.2
661.25183	6.3
689.24677	19.2
690.24133	1.2
692.55505	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18760	0.6
51.74252	0.6
53.03957	1.0
55.01869	1.1
55.05505	2.3
57.03437	1.0
57.60437	0.5
59.05006	1.7
67.05508	4.5
69.03445	1.7
69.07069	2.0
69.15286	1.5
69.15694	5.3
74.86012	0.6
75.89708	0.7
79.05500	6.3
81.03425	3.2
81.07062	5.4
83.04974	0.9
83.08628	0.9
83.19341	0.6
85.02914	1.2
86.09733	0.6
89.93935	0.5
91.05476	3.8
93.07053	5.5
95.04964	4.8
95.08619	3.6
97.02854	0.6
97.06524	0.6
97.10175	1.1
98.21499	1.3
103.04008	0.6
105.07050	3.5
107.04977	1.5
107.08609	2.2
109.06542	0.5
109.10204	1.4
115.32199	0.6
117.07024	2.0
119.08559	2.8
121.02800	0.6
121.06512	1.4
121.10172	2.3
123.04422	1.8
125.00034	0.6
129.07018	1.1
131.08589	1.6
133.06459	0.5
133.10129	1.0
135.11731	1.9
143.08554	1.4
145.10132	1.5
147.08080	0.7
147.11710	1.1
157.10193	0.8
159.11697	0.7
161.13240	0.9
163.11261	1.5
173.09518	0.9
181.10065	0.6
184.07373	2.0
201.98140	0.6
235.13272	3.6
255.14108	0.9
261.22174	1.0
267.16034	0.8
273.14771	1.3
277.28378	0.5
301.14435	2.4
321.07559	0.6
335.25891	1.9
355.15057	0.7
371.12769	0.7
375.17950	1.0
384.12350	1.2
385.14008	1.2
397.13229	1.6
398.13855	7.0
399.14600	5.8
400.16455	7.9
401.17087	0.8
409.59369	0.6
410.14178	1.0
411.14850	1.4
412.15320	9.6
413.16177	11.8
414.16702	2.1
416.15021	2.0
418.17636	2.6
425.16827	1.1
426.17337	3.7
427.17886	10.5
428.18695	14.7
429.19510	3.2
430.16986	1.5
438.16922	1.1
439.13608	1.0
440.14996	2.4
441.15482	2.3
441.19928	1.8
443.13696	1.1
444.14468	1.9
445.19058	1.4
446.17160	1.7
453.15683	1.1
454.16330	0.8
455.17188	47.2
456.17880	6.2
457.14972	3.0
458.15857	7.9
459.16666	6.0
460.17395	1.4
469.14142	1.2
471.16824	3.4
472.17328	2.3
473.18497	2.1
480.14224	0.8
481.14651	0.8
483.16666	37.5
484.17230	2.7
485.18073	1.0
486.19507	3.7
487.20795	7.7
494.15964	0.8
495.16806	1.4
499.16000	0.8
501.17590	1.9
510.18933	1.1
514.18384	1.0
515.19012	5.0
516.20001	1.4
523.16309	3.2
527.15082	7.4
528.15607	1.1
537.17853	1.9
538.18011	2.3
541.20453	2.1
541.28217	0.7
555.18579	3.5
559.22034	1.0
569.20508	3.1
570.20898	8.6
573.23706	0.9
574.24182	14.3
575.24231	1.0
587.21423	2.0
597.19214	0.8
601.22986	10.9
602.23755	100.0
603.23962	6.4
612.22107	0.8
629.22479	24.1
630.22699	5.3
633.25592	3.0
635.40021	1.0
643.24359	3.9
657.21863	18.0
658.22107	1.3
661.24969	5.2
671.40979	0.8
689.24371	8.3
689.42407	1.1
690.24902	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.5207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.5
55.05518	2.9
57.03424	0.7
57.07078	32.7
59.05000	2.1
67.05515	3.4
69.07079	3.5
69.16176	4.6
69.16588	0.7
71.08636	24.8
73.06178	0.7
73.06563	9.6
73.06951	0.5
79.05495	1.3
81.03405	2.4
81.07049	3.0
83.08627	3.8
85.10190	16.9
86.09717	3.2
87.04475	9.9
89.06036	100.0
91.05490	1.1
91.07614	0.7
93.07040	1.6
95.04979	1.0
95.08586	1.2
97.06592	0.6
97.10171	4.5
99.11733	3.5
105.07058	0.9
107.07069	1.6
107.08617	0.6
109.10177	1.7
111.11700	2.3
113.13281	2.3
117.09138	7.8
119.08592	1.1
121.10175	1.0
125.00006	1.3
127.14890	0.8
130.08635	1.4
131.07066	2.6
131.08566	0.8
133.08607	48.0
135.10167	0.8
136.06233	0.5
161.11769	2.0
164.09465	0.5
165.55704	0.5
169.19562	3.3
175.09677	1.6
177.11238	18.9
184.07347	9.2
184.08820	0.8
208.89336	0.5
210.54977	0.5
213.22208	2.3
221.13882	4.0
223.15349	0.6
239.14862	1.0
254.24835	0.6
257.24768	6.1
265.16498	1.0
283.17471	0.9
301.27301	3.4
319.16867	0.6
403.99078	0.5
415.25317	0.6
499.75909	0.6
503.30603	0.9
529.38782	5.4
671.49426	2.4
688.51440	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	687.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23544	0.4
51.17105	0.5
51.52628	0.5
53.03949	1.5
55.01869	0.9
55.05501	2.2
57.03458	2.3
59.04999	1.5
61.02935	5.6
67.05192	0.5
67.05514	7.7
69.03432	3.6
69.07075	1.2
70.06572	0.5
71.05002	0.6
73.02919	4.7
75.13245	0.5
79.05503	7.4
81.03431	3.2
81.07066	6.4
83.04990	0.6
83.08617	1.1
85.02915	5.7
86.09706	0.8
87.04482	0.8
91.03982	3.1
91.05486	7.9
93.07046	7.0
95.04965	1.9
95.08611	3.1
95.69173	0.5
97.02900	5.3
97.06558	0.8
99.04504	0.5
101.02380	1.4
105.07036	4.7
107.08599	2.9
109.02877	1.4
109.10175	2.0
115.03947	0.6
117.07021	1.4
119.08586	3.0
121.10146	2.7
123.11694	0.7
127.03919	1.5
129.07033	0.6
130.25702	0.5
131.08594	2.2
131.10094	0.5
133.06506	0.7
133.10147	7.5
135.08087	0.7
135.11717	1.3
137.09665	0.8
142.28581	0.5
143.08543	0.9
145.10147	1.5
147.11723	0.9
149.13350	0.5
159.11725	0.7
161.09662	0.9
163.04015	0.6
173.13155	0.8
184.07394	2.1
185.04327	0.7
185.13184	0.7
193.67509	0.5
215.17941	0.6
219.09909	5.0
229.14394	0.5
243.08458	2.1
273.97620	0.5
303.06900	1.8
307.22559	0.8
317.01086	0.5
335.26123	0.6
437.17789	2.9
491.26184	12.3
593.17639	0.6
594.40625	0.5
605.23114	0.8
655.26709	0.9
669.40796	0.8
687.37195	100.0
688.37524	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	687.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12120	2.0
56.61878	2.1
57.03438	3.5
57.07105	3.3
59.05009	15.5
61.11143	2.4
67.05499	12.0
69.03428	2.8
69.07077	4.5
69.31096	11.8
69.31497	6.4
71.08633	3.3
79.05495	6.5
81.07053	12.2
87.04469	3.7
89.06045	4.0
91.05489	6.4
93.07059	7.4
95.05003	3.5
95.08617	7.2
98.20719	4.3
105.07034	6.2
107.08579	3.0
109.10200	5.3
111.42755	2.1
117.07052	3.4
119.08596	3.0
121.10123	3.0
131.08598	2.8
133.10176	3.3
135.11723	4.1
142.58269	2.8
143.08595	2.6
155.41653	2.3
163.11282	3.2
165.12814	2.9
179.14424	2.7
198.23073	2.8
205.15840	3.5
229.14296	3.0
230.14645	2.8
237.14088	3.2
261.19745	2.3
266.20273	2.8
335.25827	3.6
353.17938	2.4
364.17648	4.2
365.17862	4.2
366.18771	5.8
367.19473	7.5
377.17929	7.4
379.19476	3.4
381.21103	8.7
387.16003	3.8
391.19525	6.4
393.20816	7.3
394.18088	2.6
395.18286	2.7
405.16910	17.8
406.22021	2.8
409.20612	6.6
410.21042	3.6
411.21960	4.9
420.19550	16.2
421.20514	6.7
422.21103	9.0
423.22250	5.7
430.18182	2.8
433.16205	3.0
437.19934	8.5
447.22290	4.1
448.18890	61.0
449.19891	10.4
453.23077	4.1
465.19516	8.1
468.25345	21.5
469.26221	4.6
475.17624	9.5
475.22760	3.2
476.18246	6.4
477.19327	4.4
480.21606	72.1
481.21939	10.9
491.21036	3.3
493.18256	3.2
493.22656	3.7
496.24789	7.3
497.25665	7.3
498.26276	8.4
506.23172	3.2
507.20584	4.4
508.21198	11.9
512.27789	3.9
517.21954	3.5
521.21796	3.8
524.23517	3.2
525.25079	3.6
534.22931	7.1
535.23578	6.4
539.26904	6.3
552.23761	4.0
553.24426	6.4
562.22473	3.8
563.23090	8.1
566.25659	8.4
567.25861	2.5
584.26599	3.8
594.24768	98.2
595.25830	15.9
597.27509	2.7
599.28485	3.6
609.27222	30.7
612.25867	41.8
613.26569	16.1
627.28278	15.6
637.26563	75.0
638.27832	2.8
643.30957	2.8
655.27625	100.0
656.27747	7.1
687.30377	78.1
687.42596	5.5
688.30640	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	687.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.7
57.03430	1.0
59.04992	1.6
60.67426	1.0
65.03932	1.4
67.05506	2.9
71.26145	1.0
71.36646	1.1
71.50690	1.5
79.05463	2.7
80.05003	2.5
81.03379	1.5
81.07071	2.7
86.09709	1.1
91.05476	2.9
93.07033	1.5
94.06573	2.2
95.04996	1.0
95.08609	1.6
105.07039	2.5
110.90293	1.0
118.06606	1.2
120.04468	3.6
120.08112	1.7
122.06026	1.2
131.08588	0.9
133.08624	1.0
133.10188	1.3
134.06003	1.1
136.03938	15.1
150.05522	2.5
158.09685	1.1
162.05490	3.3
164.07130	1.6
167.59373	1.0
178.05016	16.8
183.09248	1.3
184.07397	2.8
188.03395	3.0
193.04973	1.6
195.09138	1.4
196.10007	1.3
197.10834	2.0
206.85457	1.4
207.09229	2.3
209.10777	5.5
210.07684	4.8
210.11543	3.5
211.08647	1.0
211.12392	1.0
212.13173	1.4
220.10139	1.3
221.10803	1.8
222.07750	1.0
223.08691	1.2
223.12354	6.3
224.13145	6.0
225.10211	1.8
225.13834	4.0
226.14572	1.9
235.12306	2.0
237.13826	3.2
238.14581	1.1
239.15366	1.1
241.09662	1.3
247.12343	1.3
251.08199	1.6
251.11841	1.8
253.09746	5.5
253.13304	2.8
256.12076	2.4
263.11646	1.5
265.09631	1.4
265.13452	2.4
269.12952	2.4
270.13702	6.5
277.06274	1.7
281.09351	1.9
284.12082	1.4
284.29391	1.2
286.13409	4.3
287.14374	2.2
298.13382	1.8
299.14435	1.5
300.11465	1.5
300.15021	3.5
301.15753	1.6
307.10706	3.3
311.14005	3.2
312.11261	2.2
312.14792	1.5
313.12109	1.3
313.15607	1.3
314.12842	3.8
314.16315	2.3
315.13879	1.4
316.14413	3.6
316.17923	2.0
317.16483	1.4
326.13058	2.9
326.16568	1.1
327.13898	2.0
328.14456	2.3
329.15289	1.8
330.16013	2.1
340.10880	1.4
340.14487	1.4
341.11563	1.3
341.15265	1.3
342.16034	2.7
344.14032	1.6
344.17557	9.7
354.12247	5.0
355.13290	2.7
356.13812	1.4
368.09958	1.7
368.14133	2.0
369.14645	4.4
370.15604	7.5
371.16006	2.4
372.17081	17.9
382.11697	3.8
383.12247	1.4
384.13614	2.3
384.17282	19.9
386.18655	1.7
397.14151	3.1
398.14832	3.1
412.13156	2.5
412.16949	16.6
414.18167	6.1
430.17645	3.0
435.21771	1.4
436.22253	1.8
440.16110	57.0
441.16525	1.8
443.14590	1.2
444.19315	3.1
446.20438	1.9
448.22162	2.0
458.17142	100.0
459.17462	2.4
472.18652	11.0
490.20013	9.5
577.24042	1.5
581.23413	4.6
587.22461	2.1
591.22284	2.2
595.25061	1.6
599.25067	1.7
605.23846	3.1
623.25061	49.4
624.25153	2.0
637.25500	4.1
655.27716	5.9
687.27020	3.2
687.40161	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	687.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05003	1.5
63.53329	0.9
67.05517	3.7
70.01077	4.4
79.05508	2.6
81.07062	2.8
91.05489	1.8
93.07068	2.1
95.08601	2.4
105.07046	2.2
107.08632	1.4
109.10175	2.0
119.08579	1.3
131.08511	1.0
132.08046	0.8
144.08176	1.0
173.13428	1.0
174.09189	1.8
202.79073	0.9
209.10725	2.7
210.11543	1.2
211.12331	1.2
221.10873	1.7
223.12335	2.1
224.13191	1.7
225.13878	2.3
229.14369	1.1
234.11890	1.2
235.12502	1.2
237.14003	3.3
238.14717	1.6
239.15500	1.2
249.13969	1.5
261.13873	1.3
262.13901	1.3
276.14859	2.5
288.15012	1.7
300.14926	1.5
302.16681	1.1
318.16153	2.7
326.16379	1.2
335.25742	1.3
350.16400	1.0
351.16165	1.5
352.17331	2.8
353.17865	2.0
363.16422	2.0
364.17999	1.1
365.17685	2.2
366.18845	2.2
367.19458	5.3
376.17255	1.2
377.17636	1.6
378.19174	1.2
379.19345	3.6
380.20193	1.5
381.17169	3.2
381.21432	5.9
382.17798	2.1
382.22064	1.5
391.19733	2.1
393.21234	1.8
394.17587	1.9
395.18335	5.3
396.19495	1.3
397.20511	1.8
405.17053	5.5
406.17981	1.1
407.18713	2.8
408.19650	2.7
409.20197	7.4
410.21048	6.2
411.21982	10.3
419.18243	1.3
419.23117	1.2
420.19598	4.8
421.20325	3.0
422.21439	5.8
423.22009	3.2
433.16187	1.5
433.20859	1.4
436.19250	1.8
437.19757	4.9
437.24124	3.6
438.20609	1.8
439.21286	2.7
447.22479	2.2
448.18845	17.2
449.19574	2.8
451.21561	1.7
453.23044	4.1
454.23972	1.7
462.21210	1.0
464.21884	1.2
465.18460	2.5
465.23093	4.3
466.24176	2.2
468.25607	11.7
469.26453	2.6
475.17993	4.2
476.18277	2.9
477.19229	3.4
479.24960	1.9
480.21298	17.8
481.21884	4.5
482.22986	1.7
483.23904	3.1
489.19275	1.2
493.18661	3.1
493.23007	1.5
494.19473	1.9
495.23508	1.6
496.24887	8.2
497.25778	11.7
498.26352	17.8
503.20850	1.7
505.18982	1.7
506.22754	1.2
507.20087	1.3
507.24622	2.1
508.21616	3.7
509.21863	1.8
511.27112	3.5
512.27899	3.2
521.21802	1.6
524.24420	5.4
525.25116	8.2
534.22412	4.9
535.23370	3.6
539.26605	7.9
540.27582	8.8
550.23474	1.6
552.23834	2.1
553.24524	4.0
563.22687	4.8
566.24719	2.2
567.26129	11.8
568.26471	1.5
580.23242	3.2
581.23907	2.0
584.26245	7.8
585.27039	8.3
594.24799	20.0
595.25977	4.4
599.28821	5.9
609.26868	3.5
612.25854	34.4
613.26648	10.1
623.24078	1.8
627.28180	39.5
628.28448	1.7
637.26563	7.6
655.27686	55.9
656.27753	3.8
687.30273	100.0
688.30371	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	687.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85301	1.0
53.03937	1.9
54.89251	1.0
55.01848	1.0
55.05518	5.7
57.03423	2.3
57.07092	1.7
57.72894	1.1
59.05002	2.5
61.02906	1.5
65.03941	1.6
66.15435	0.9
67.05508	12.8
67.69714	1.0
69.03426	1.2
69.07066	2.3
71.04973	1.5
71.51077	1.4
79.05500	9.0
80.05010	4.4
81.03409	3.2
81.07065	9.7
83.04955	1.4
83.08627	2.2
87.04457	1.2
89.06019	1.5
91.05472	5.5
93.07056	9.4
94.06574	2.0
94.07368	1.3
95.04974	1.9
95.08610	11.0
96.08949	1.4
97.02845	1.0
105.07034	3.7
107.04981	1.6
107.08602	5.5
108.08124	1.1
108.08910	1.1
109.10133	3.5
113.24836	0.9
117.07001	2.6
117.09100	1.0
118.06532	2.4
119.08639	2.4
120.04491	3.0
120.08058	2.1
121.06493	1.2
121.10130	4.4
125.09668	1.1
131.08574	2.2
133.10121	2.6
134.06017	3.3
135.11670	4.0
136.03951	18.6
136.12067	1.4
137.09543	1.1
142.66972	1.0
145.10120	3.7
146.10480	1.6
147.11665	1.6
150.05498	4.3
152.07155	1.6
158.09647	1.2
162.05470	2.7
163.11194	6.1
164.07043	1.3
164.11560	1.5
170.09676	1.4
178.04993	18.5
184.07321	2.0
184.09898	1.9
188.03470	3.2
194.08423	1.1
195.09171	1.9
197.10722	3.0
203.11899	1.1
207.09062	1.2
208.09894	1.6
209.10655	7.1
210.07664	3.7
210.11505	4.6
211.08757	1.8
211.12248	2.1
212.13086	2.3
220.10030	1.3
221.10727	2.0
222.11511	2.3
223.08676	2.1
223.12289	8.8
224.13109	7.0
225.10141	1.8
225.13829	5.4
226.14551	2.0
227.12965	7.8
228.13135	2.4
233.10706	1.3
235.12302	2.5
236.12979	2.0
237.13876	4.7
239.11893	1.8
247.12389	2.2
249.10336	1.5
249.13914	2.0
251.08170	1.8
251.11813	3.1
253.09726	4.3
253.13429	3.8
261.13800	2.0
263.11841	1.2
265.13425	3.4
269.12848	3.2
270.13641	5.1
272.11792	1.6
273.13788	1.2
277.06143	1.7
279.07764	2.0
281.09329	3.6
281.12964	1.7
283.14514	1.1
285.12378	1.6
286.13422	3.9
287.05405	1.6
292.04764	1.6
294.10040	2.9
296.11963	1.5
298.13406	1.8
299.14624	1.9
300.14978	3.2
301.15781	2.9
303.14508	1.0
305.09137	2.3
307.07111	4.4
307.10669	3.5
311.13892	10.3
312.11383	1.6
313.27438	1.4
314.12817	3.6
314.16425	2.4
315.13824	1.9
316.14429	4.3
316.17871	2.0
317.16177	1.3
326.12903	2.9
327.13608	2.0
328.14328	2.6
329.15244	1.5
330.16144	2.0
335.25140	1.4
337.12009	9.8
339.09668	6.7
339.13605	4.8
340.10812	1.6
341.11581	1.2
341.15417	1.3
342.16025	2.9
344.14029	1.6
344.17596	9.8
354.12616	5.2
355.13068	3.9
356.14023	2.1
367.13965	1.5
368.13852	2.5
369.14471	19.8
370.15479	7.2
371.16031	9.0
372.17068	17.2
382.11920	4.8
383.12628	2.3
384.12967	2.3
384.17139	18.5
386.18643	3.2
396.17581	1.3
397.13971	3.7
398.15036	3.5
412.11716	1.7
412.17020	15.9
413.17126	1.1
414.18393	6.0
430.17807	2.7
440.16071	59.4
441.16620	2.1
444.19180	2.9
446.20914	1.3
448.22604	2.3
458.17148	100.0
459.17496	4.1
462.20035	1.9
472.18829	9.6
490.19815	10.8
527.37524	1.5
528.37573	2.0
545.38678	7.4
546.38782	19.5
550.22247	1.6
561.24591	3.3
573.21094	1.3
579.25409	1.8
581.23981	3.3
587.22620	3.5
591.22479	3.2
595.25128	3.5
605.24036	13.3
609.27362	1.8
613.26587	1.8
619.25342	3.3
623.25012	51.0
624.25568	2.0
637.26703	8.8
641.25671	2.2
655.27515	10.5
669.28412	3.0
686.45569	1.1
687.27917	3.3
687.38232	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	687.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52483	0.9
59.05001	1.2
67.05540	0.9
70.95636	2.0
79.05494	2.1
81.07050	1.6
85.71623	1.2
91.05486	1.3
93.07088	1.4
107.59461	1.0
116.16554	1.0
162.07751	1.0
184.07401	1.1
195.09180	1.3
197.10768	1.8
199.08647	1.7
209.10719	7.4
210.11440	1.7
211.12254	3.2
213.10201	1.5
221.10674	1.6
222.11420	1.8
223.08673	2.5
223.12219	6.3
224.13120	5.1
225.13919	3.7
235.12297	1.1
236.13077	2.4
237.10233	2.9
237.13907	13.3
238.14687	6.8
239.15448	5.0
240.16197	1.2
241.09628	2.3
249.13890	1.5
251.11839	1.6
252.12436	1.3
253.13461	2.5
255.07738	2.3
265.13364	10.2
266.14102	2.8
267.14935	4.7
273.12515	3.2
275.15561	1.1
295.14474	1.3
297.12384	2.9
302.16611	1.3
309.15948	1.3
314.16562	1.6
315.13202	2.1
322.38278	1.1
325.15555	9.8
326.16220	1.9
327.17078	3.8
335.13852	1.5
343.12973	1.9
372.16998	1.3
378.15756	1.4
388.20316	2.2
400.16608	1.5
402.21765	2.1
404.23367	1.7
405.16843	1.4
407.19049	1.4
414.18137	1.4
419.18857	2.4
422.17316	2.0
423.17938	2.3
432.19278	1.2
433.20435	1.1
434.17081	1.3
437.19751	1.5
459.18152	1.1
474.20117	1.4
475.21066	1.3
476.20135	1.7
478.19974	1.2
481.22247	2.3
490.22256	1.4
491.21170	1.5
492.21329	1.2
497.25552	2.4
507.23627	4.1
517.22418	1.2
521.25653	2.5
524.23700	1.8
525.25513	5.0
535.23309	1.5
539.26160	3.1
549.24554	4.3
553.24597	1.7
561.24799	3.2
567.25671	3.1
568.26538	2.4
585.27069	1.7
587.22699	3.2
595.25171	4.6
605.23663	1.9
609.27173	15.0
611.27893	1.2
613.26288	1.9
619.23944	1.8
623.24792	5.0
625.26440	2.5
627.28137	34.8
628.27997	1.3
637.26459	8.4
643.26984	1.2
655.27649	100.0
656.27930	6.0
669.27698	1.7
687.29242	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	687.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52483	0.9
59.05001	1.2
67.05540	0.9
70.95636	2.0
79.05494	2.1
81.07050	1.6
85.71623	1.2
91.05486	1.3
93.07088	1.4
107.59461	1.0
116.16554	1.0
162.07751	1.0
184.07401	1.1
195.09180	1.3
197.10768	1.8
199.08647	1.7
209.10719	7.4
210.11440	1.7
211.12254	3.2
213.10201	1.5
221.10674	1.6
222.11420	1.8
223.08673	2.5
223.12219	6.3
224.13120	5.1
225.13919	3.7
235.12297	1.1
236.13077	2.4
237.10233	2.9
237.13907	13.3
238.14687	6.8
239.15448	5.0
240.16197	1.2
241.09628	2.3
249.13890	1.5
251.11839	1.6
252.12436	1.3
253.13461	2.5
255.07738	2.3
265.13364	10.2
266.14102	2.8
267.14935	4.7
273.12515	3.2
275.15561	1.1
295.14474	1.3
297.12384	2.9
302.16611	1.3
309.15948	1.3
314.16562	1.6
315.13202	2.1
322.38278	1.1
325.15555	9.8
326.16220	1.9
327.17078	3.8
335.13852	1.5
343.12973	1.9
372.16998	1.3
378.15756	1.4
388.20316	2.2
400.16608	1.5
402.21765	2.1
404.23367	1.7
405.16843	1.4
407.19049	1.4
414.18137	1.4
419.18857	2.4
422.17316	2.0
423.17938	2.3
432.19278	1.2
433.20435	1.1
434.17081	1.3
437.19751	1.5
459.18152	1.1
474.20117	1.4
475.21066	1.3
476.20135	1.7
478.19974	1.2
481.22247	2.3
490.22256	1.4
491.21170	1.5
492.21329	1.2
497.25552	2.4
507.23627	4.1
517.22418	1.2
521.25653	2.5
524.23700	1.8
525.25513	5.0
535.23309	1.5
539.26160	3.1
549.24554	4.3
553.24597	1.7
561.24799	3.2
567.25671	3.1
568.26538	2.4
585.27069	1.7
587.22699	3.2
595.25171	4.6
605.23663	1.9
609.27173	15.0
611.27893	1.2
613.26288	1.9
619.23944	1.8
623.24792	5.0
625.26440	2.5
627.28137	34.8
628.27997	1.3
637.26459	8.4
643.26984	1.2
655.27649	100.0
656.27930	6.0
669.27698	1.7
687.29242	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	686.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.8
57.07078	33.2
59.05011	1.9
60.09253	0.4
67.05510	1.4
67.06740	0.4
69.07070	4.6
69.19192	1.5
69.19610	2.5
71.04990	0.5
71.08635	28.1
73.02919	0.6
73.06561	8.6
81.07052	1.4
83.08615	5.4
85.10188	18.8
87.04473	7.6
87.04993	0.7
89.06034	100.0
90.06376	0.4
91.05481	0.4
91.07609	1.3
93.07073	0.4
95.08598	0.9
97.10168	6.7
98.20800	0.9
99.11732	2.6
107.07058	1.4
107.08579	0.5
111.11741	3.4
113.13300	2.0
117.09126	7.0
125.13271	1.8
127.14841	1.3
130.08623	2.0
131.07047	2.3
133.08609	53.3
134.08888	0.8
135.10207	1.2
139.14873	0.5
141.16444	1.2
155.17953	1.0
161.11726	1.2
169.19624	0.5
171.46812	0.4
175.09668	1.5
177.11226	18.7
179.12802	0.5
179.14273	0.4
184.42967	0.4
201.65187	0.5
211.24228	2.1
221.13853	3.5
222.71857	0.5
239.14999	0.8
255.26778	1.8
265.16525	1.0
283.17490	1.2
299.29535	5.7
309.19128	0.7
327.20010	0.8
343.32111	3.8
415.25433	0.6
459.28000	2.0
669.51672	2.8
686.31085	0.7
686.55487	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	686.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42448	0.6
55.05505	2.4
57.07079	33.2
59.05002	9.9
64.57090	0.6
67.05518	1.0
69.07061	4.2
69.56014	3.5
69.56425	1.3
71.08633	29.9
73.02914	2.9
73.06241	0.7
73.06564	8.4
74.31664	0.7
77.06049	0.9
81.07040	1.3
83.08627	4.5
85.10189	17.4
87.04472	17.7
89.06032	45.4
89.72872	0.6
97.10173	4.6
99.11749	2.2
103.03943	100.0
103.07588	7.3
107.07040	1.5
108.53753	0.8
109.06468	0.7
111.11716	2.8
113.05994	0.7
113.13303	1.8
117.09143	6.3
119.07050	1.4
121.08620	1.4
125.13303	1.6
127.14835	1.5
130.08627	1.5
131.07040	3.8
131.44669	0.7
133.07657	1.4
133.08604	16.7
141.16402	1.1
147.06516	10.9
147.10112	3.6
161.11757	2.3
163.09677	2.9
175.09718	2.3
177.11235	8.2
191.09166	5.5
197.22641	1.8
207.12320	3.0
221.13913	2.3
235.11780	5.1
241.25278	1.9
285.27893	6.6
323.17310	0.8
329.30411	3.4
337.52322	0.7
356.16586	0.7
473.25888	1.2
547.67627	0.7
554.39850	0.8
590.27783	0.7
669.48676	1.1
686.29901	0.8
686.49805	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	686.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	2.5
55.05520	10.2
57.03444	12.6
57.07080	1.9
59.05004	4.1
60.27299	0.9
60.41271	1.0
61.02921	3.1
65.03932	2.0
67.05511	94.2
69.03419	1.1
69.07063	7.0
71.04993	3.4
71.15781	1.8
73.02895	1.0
79.05073	1.5
79.05502	18.0
81.07063	30.7
82.07356	1.1
83.08620	6.6
85.02922	3.1
85.06556	2.7
85.90157	1.0
91.05485	12.1
93.07052	22.1
95.04995	2.0
95.08619	23.9
97.02871	1.6
97.10169	3.3
105.07043	5.7
105.67339	1.0
107.08617	15.2
109.10170	67.0
110.10507	1.4
111.08087	4.1
117.07021	3.0
119.08587	9.9
121.10152	9.3
123.11731	4.3
125.09638	1.6
125.17241	0.9
131.08591	4.2
133.10149	4.3
135.11722	7.7
137.09633	3.5
145.10124	4.6
147.11720	4.2
149.13269	4.6
155.10696	9.5
159.11705	3.5
161.13242	2.8
163.14836	2.6
173.11806	16.0
173.13300	2.5
175.14818	1.0
177.16325	1.1
187.14792	1.1
227.12778	4.5
229.14375	100.0
230.14769	1.7
243.21094	5.1
253.35034	1.1
261.22156	17.1
317.24875	2.2
335.25836	71.2
336.26172	3.0
397.30881	2.2
415.32349	2.1
471.34818	1.3
489.35782	38.1
507.36670	2.2
636.25177	3.3
658.59949	1.1
717.39777	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
55.05511	13.9
57.03443	12.6
57.07071	3.0
59.05002	4.7
61.02924	3.7
65.03939	3.2
67.05506	100.0
69.03428	1.5
69.07072	8.9
70.81387	1.9
71.04987	3.3
73.02921	1.5
79.05493	20.7
79.48941	0.9
81.07056	39.0
83.08602	6.9
85.02900	3.2
85.06532	3.0
91.03945	2.1
91.05487	15.4
93.07044	26.0
93.94594	0.9
95.04983	1.9
95.08611	26.4
97.02895	3.0
97.06573	1.5
97.10151	2.3
105.07041	7.5
107.08599	13.1
109.06548	1.0
109.10159	71.2
111.08108	2.5
117.07027	3.9
119.08578	10.3
121.10138	11.0
123.11714	3.3
125.09603	1.7
127.36787	0.9
131.08591	6.3
133.10136	4.8
135.11678	7.5
137.09612	2.5
137.13243	1.4
143.12617	1.0
145.10110	3.7
147.11671	2.7
149.13271	3.8
155.10654	8.5
159.11725	3.6
161.13231	1.4
163.14819	2.1
173.11800	12.9
173.13280	3.0
183.11812	0.9
187.14864	1.6
227.12767	2.2
229.14357	77.7
230.14653	1.7
243.21022	4.4
261.22153	15.6
317.24838	4.1
335.25803	72.5
336.25986	1.7
379.30206	1.3
397.31216	1.5
415.32190	1.2
489.35742	53.0
490.36163	2.1
507.36685	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	685.504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.5
55.01868	3.4
55.05511	23.0
55.54909	1.8
55.65410	2.3
57.03443	2.5
57.07085	9.0
59.05006	4.6
65.03944	5.7
67.05512	58.1
69.03429	14.1
69.07070	26.4
69.72332	11.6
71.04993	4.2
71.08610	2.8
79.05498	33.0
81.03415	18.6
81.07063	100.0
83.04993	3.7
83.08627	15.2
85.02905	12.0
85.06532	2.4
85.10158	2.4
91.05480	33.1
93.06489	3.1
93.07056	60.2
95.04966	6.6
95.08614	73.1
97.02898	10.6
97.06525	3.7
97.10191	11.3
98.20812	2.6
99.04441	3.9
99.08108	5.1
99.34576	1.8
105.07039	49.5
107.08601	56.6
109.02892	5.9
109.06509	4.3
109.10162	50.5
111.04418	3.8
111.08130	2.8
111.11711	4.3
117.07008	8.0
119.08595	49.4
121.10149	45.6
123.04418	2.3
123.08115	2.9
123.11707	22.1
125.09642	2.1
127.03920	5.8
129.06998	3.5
131.08563	19.4
133.10138	28.9
135.08073	3.7
135.11713	22.8
137.05925	2.5
137.09579	2.0
137.13263	8.5
139.11159	2.3
141.06926	2.0
143.08554	8.2
145.04956	2.7
145.10124	23.7
147.11702	28.7
149.13258	26.8
151.14818	6.7
153.12718	2.0
155.08539	4.0
156.09271	2.5
157.10136	10.9
159.11699	27.9
161.13298	22.4
163.11177	4.5
163.14825	17.1
169.10146	4.5
171.11696	8.1
173.13289	16.0
175.14833	17.5
177.12691	2.5
177.16411	7.9
179.14191	2.3
183.11687	4.6
185.13245	6.9
187.14836	13.3
189.16406	12.9
191.17928	6.7
193.10097	1.9
197.13329	4.2
199.14828	5.2
201.12732	2.9
201.16377	11.7
203.17987	13.0
205.19490	3.4
211.14687	3.4
213.16397	6.3
213.29446	2.1
215.18004	12.2
217.19498	14.5
223.14967	2.2
225.16391	3.1
227.17970	5.0
229.19543	5.7
231.21115	6.4
235.20538	2.3
241.19531	3.8
243.21062	4.8
245.22778	3.1
257.22510	5.6
261.22208	2.1
269.22635	8.4
271.10745	2.2
271.24222	30.2
287.23856	3.6
289.25330	4.5
291.17401	1.8
303.26596	2.8
331.26379	5.2
338.47253	2.1
379.25983	3.5
397.27295	2.1
429.69510	1.9
505.44473	3.5
555.95221	2.1
603.22162	4.1
613.29706	3.8
631.47156	4.4
641.29596	2.9
649.48206	6.6
653.25598	8.4
667.49249	19.8
685.28357	7.7
685.50537	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.3
55.05506	0.3
56.05037	0.9
60.04508	0.4
67.05503	0.8
69.07081	0.4
70.06596	6.6
70.71389	0.5
70.71737	0.6
72.08156	2.0
74.06054	0.6
81.07051	0.4
83.01093	1.0
84.04515	0.9
84.08142	3.0
85.02924	0.6
86.09712	4.0
88.59199	0.3
91.05454	0.8
93.07065	0.4
95.01084	0.8
95.88117	0.3
96.01885	0.5
98.06037	0.4
101.16831	0.4
102.05586	0.5
105.07050	0.8
107.08597	0.6
109.24934	0.3
110.07156	0.6
113.02130	1.8
120.08128	1.4
129.10254	1.4
133.06522	0.4
136.07597	1.0
137.05974	0.7
145.10187	0.3
147.04427	1.5
155.08102	0.4
157.04741	0.5
185.04260	1.7
198.22697	0.4
201.03757	1.4
202.04459	0.3
203.05284	2.1
249.06056	0.4
271.11542	1.4
345.24170	0.5
353.15671	2.9
355.17389	0.5
437.21652	0.4
462.93756	0.3
470.15082	0.4
505.27713	5.6
507.29309	13.6
508.29855	0.5
522.74939	0.4
523.28680	0.6
602.59711	0.4
685.34076	100.0
686.34747	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16775	0.8
69.73162	5.3
70.06586	1.4
77.49117	0.9
79.78221	1.0
81.07069	1.6
86.09697	1.2
93.07069	1.0
95.01105	1.5
95.92843	1.0
98.21461	1.8
107.08625	1.8
112.24528	0.9
113.02141	1.2
136.81422	0.9
161.09383	1.4
177.08902	1.7
185.04250	3.3
201.03732	12.3
203.05299	6.8
287.11118	2.7
313.12723	2.3
339.14185	100.0
340.14624	2.7
369.19037	2.3
395.20331	8.5
421.22049	30.5
423.65125	1.0
435.23114	1.3
437.21414	1.3
487.26526	6.2
489.28400	24.4
505.27881	15.4
507.29285	27.6
508.29749	1.2
653.31500	1.3
667.33051	34.4
668.33044	1.6
685.33148	97.3
686.33673	4.5
699.69446	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.32
Annotation	Bonaspectin G
Peak:m/z	Relative Intensity
56.58760	0.6
56.96579	0.6
70.06588	3.2
70.97333	0.5
71.49482	0.9
80.89606	0.6
84.04523	0.7
84.08139	1.2
86.09750	0.6
96.03710	0.6
98.97600	1.9
106.57496	0.5
109.10212	0.6
120.08086	0.8
121.77940	0.6
129.10283	0.6
132.63257	0.6
136.07700	0.6
146.91423	0.7
223.12613	0.6
245.65205	0.6
264.28018	0.6
385.20346	0.8
429.98965	0.7
505.24832	2.6
507.27396	2.3
597.55139	0.8
685.32019	100.0
686.32538	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	685.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
68.33289	0.9
70.80815	2.2
79.10846	0.9
87.31557	1.0
93.07077	2.1
95.01107	2.9
96.01888	1.2
112.01404	1.2
113.02139	3.0
116.21037	0.9
118.99793	0.9
129.20337	1.0
164.57018	1.0
169.04744	1.5
185.04265	3.0
192.93271	1.0
201.03722	18.3
203.05257	12.1
245.15244	3.9
287.11011	5.7
301.12735	2.4
309.22180	1.1
313.12717	3.6
327.14172	14.0
381.18884	2.4
395.20584	1.6
407.20416	100.0
408.20966	3.0
421.21896	7.9
473.24838	1.2
475.27023	2.1
487.26569	8.9
489.28275	30.6
505.27802	13.6
507.29379	25.0
653.31506	2.9
667.33051	17.0
685.33569	80.9
686.33832	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	685.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96578	0.9
69.03439	1.1
70.06594	4.0
71.49675	1.0
72.08160	2.3
75.44757	0.8
80.72994	0.9
81.07089	1.0
83.01099	0.8
84.08174	1.0
86.09707	1.8
93.07057	1.3
95.08585	0.8
109.10133	1.1
113.02088	1.1
116.07039	1.0
122.51594	0.8
129.20921	0.8
185.04193	2.0
201.03751	3.1
203.05324	2.7
232.78511	0.8
245.15294	1.3
287.11032	3.2
325.18384	0.8
327.14148	1.1
339.14178	8.0
407.20413	16.7
421.22098	3.2
487.26831	3.0
489.28333	11.3
505.05438	1.1
505.28067	5.8
507.29288	9.2
667.32330	4.2
685.32227	100.0
686.32495	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	685.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68087	1.3
53.48232	1.4
55.05520	2.6
59.04994	3.5
63.65656	1.7
67.05513	7.7
69.07069	5.2
69.14976	15.2
71.08638	2.1
79.05495	5.0
79.98199	1.5
81.07076	14.7
91.05490	4.3
93.07041	7.1
95.08612	9.5
96.08018	1.4
105.07052	5.6
107.08616	5.8
109.10172	8.2
117.07011	1.9
119.08580	5.0
121.10152	4.2
123.08096	2.6
123.11732	2.6
131.08609	2.4
133.10104	3.4
135.11700	3.0
143.08640	2.7
147.11707	2.9
155.08577	2.1
159.11742	2.1
161.13232	2.5
173.13365	1.8
197.10843	1.7
199.14769	1.8
222.11711	1.6
235.12303	2.0
247.12460	1.8
247.19926	1.4
292.14026	1.7
293.13004	2.5
331.26590	4.6
352.17032	2.5
353.17688	1.9
354.19623	2.3
365.17883	3.0
366.19098	1.5
367.19540	3.3
377.17749	2.4
378.19357	1.7
379.19473	3.6
380.20642	2.6
381.13055	1.6
381.21124	8.6
393.17529	2.0
405.17166	2.2
407.18900	1.8
408.19769	2.9
409.20389	4.3
410.21277	2.1
421.20575	2.1
423.22284	3.3
424.22421	2.2
425.19711	14.5
439.21701	5.4
462.20767	1.8
465.19138	4.4
466.20392	2.0
467.24734	1.7
469.26331	3.4
480.22211	2.1
481.22400	2.2
483.19888	3.3
495.23822	4.4
496.22189	2.1
497.21872	4.0
507.24097	2.4
509.25455	2.4
512.24512	2.6
513.24982	2.4
517.22925	1.7
523.23395	1.8
527.19427	2.5
527.26550	19.1
535.23132	1.6
552.23584	1.6
555.22583	12.8
577.25012	1.7
583.56317	1.9
599.28687	4.0
609.27136	18.0
627.24695	1.7
635.25208	3.3
641.29578	4.6
642.26813	15.8
643.27679	99.6
644.27649	4.2
653.26459	2.1
667.49762	2.9
685.28674	100.0
685.47607	7.2
686.29010	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	684.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	2.7
53.03950	5.9
55.01876	4.9
55.05516	28.8
57.03432	11.8
57.07067	9.9
59.04525	2.9
59.05011	19.0
65.03931	5.4
67.05509	100.0
69.07074	39.1
70.06572	2.7
71.04976	6.0
71.08627	10.3
73.04759	4.3
79.05505	35.5
81.03411	4.5
81.06587	6.2
81.07065	91.0
83.05016	5.3
83.08628	23.6
85.06559	3.9
87.04461	6.3
91.05423	21.4
93.07049	35.5
95.04996	5.6
95.08610	56.0
95.09183	5.0
97.06534	8.2
97.10178	10.9
99.08084	6.0
105.07043	16.7
107.08625	19.5
109.10165	49.0
110.10454	3.4
111.08114	8.2
117.07018	3.9
119.08601	18.8
121.10174	15.8
123.08088	3.0
123.11704	8.7
125.09662	6.6
131.08591	6.4
133.10141	13.1
135.11722	5.7
137.09642	6.0
143.08592	3.0
145.10040	3.2
147.11674	7.2
149.09555	2.6
149.13268	9.8
151.11189	4.6
155.10713	2.5
157.10217	3.3
159.11722	3.0
161.13290	6.4
173.11758	9.1
175.14792	4.1
179.14305	4.2
227.12842	11.4
229.14374	38.2
239.09621	3.6
263.23853	8.0
269.17535	20.2
277.21680	13.0
337.27411	82.0
338.27783	4.7
351.25320	10.5
369.26447	11.2
435.34589	4.1
491.37347	28.2
531.40594	45.4
597.26678	19.3
613.48029	9.7
624.25104	5.1
631.49066	10.7
652.25372	5.1
684.27887	9.5
684.45111	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	683.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25053	2.4
53.03942	8.7
55.01863	2.6
55.05513	29.4
57.03431	5.3
57.07062	5.8
57.68855	1.7
63.93962	1.8
65.03934	5.2
67.05508	55.9
69.03442	13.1
69.07076	26.1
70.80800	5.0
71.04987	5.1
71.08614	2.4
73.31752	1.9
77.03954	3.0
79.05067	3.6
79.05495	44.2
79.66616	2.0
80.25971	2.1
81.03422	12.5
81.07059	100.0
83.04977	4.5
83.08634	15.5
85.02905	13.4
85.06570	2.0
91.05483	46.9
93.07044	70.4
95.04968	8.7
95.08608	85.3
96.51074	1.8
97.02882	7.7
97.06525	5.0
97.10165	8.0
99.04441	2.7
99.08147	3.0
105.07034	63.6
107.08597	75.4
109.02879	5.7
109.06503	3.5
109.10160	63.9
111.04444	3.5
111.11683	4.2
115.05431	2.7
117.07024	14.9
119.08590	59.6
121.06528	2.0
121.10141	50.5
123.08060	2.1
123.11695	25.8
125.94915	1.9
127.03921	6.2
128.06221	3.1
129.05536	2.8
129.06995	8.6
131.08575	27.2
132.32993	1.9
133.10138	41.4
135.08119	2.1
135.11711	34.6
137.09641	2.6
137.13228	6.0
139.07578	2.0
142.07774	4.1
143.08569	17.7
144.09352	2.4
145.10129	37.5
147.08017	2.7
147.11681	31.6
149.09586	1.8
149.13246	30.3
151.11153	2.1
151.14902	2.1
155.08554	8.7
156.09380	2.3
157.10132	19.2
159.11702	38.2
161.13261	30.2
163.14821	17.1
165.16420	2.1
169.10100	11.2
171.11693	18.2
173.13277	24.8
175.14828	19.4
177.16330	12.0
181.10164	2.9
183.11702	10.0
185.13252	13.6
187.14807	16.9
189.16354	13.8
191.14423	2.9
191.17955	3.5
195.11670	4.9
197.13274	9.6
199.14810	11.1
201.16408	13.9
203.14404	2.3
203.17981	14.1
209.13272	4.0
211.14825	6.3
213.16451	10.7
215.18018	13.5
217.19492	11.0
225.16377	5.8
227.17963	8.6
229.19516	7.1
231.17474	3.3
231.20905	3.2
237.16359	3.0
239.18037	3.4
241.15997	3.2
241.19528	4.4
243.21043	7.2
245.22586	4.0
253.19431	3.5
255.20973	4.0
257.22629	5.4
267.21066	3.7
269.22656	2.9
271.24207	7.2
279.20911	2.6
297.25775	2.7
309.22153	2.5
325.25278	3.1
435.27478	2.1
461.28897	2.8
493.70917	2.0
503.42276	6.4
530.82721	2.1
533.34406	2.5
587.22400	3.7
596.79321	2.3
619.24469	2.4
629.45471	5.3
647.46606	9.3
665.25476	3.4
665.47821	37.3
674.03967	2.1
683.27197	3.5
683.48877	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.0
53.03947	5.7
55.01870	4.2
55.05515	26.1
55.50473	1.3
57.07067	4.9
59.04998	4.7
61.51769	1.5
64.92825	1.4
65.03944	3.8
67.05510	57.0
67.20457	1.5
69.03434	14.3
69.07077	28.0
69.59113	4.2
69.59521	7.3
71.04998	3.9
71.08617	2.6
71.43434	1.7
79.05495	46.3
81.03000	1.6
81.03432	20.3
81.07064	100.0
83.04991	6.4
83.08618	12.6
84.05638	1.6
85.02917	13.4
85.06544	2.1
85.68726	1.7
88.49477	1.6
91.05489	41.0
93.07052	73.4
93.07641	4.0
94.07375	2.0
95.04974	9.4
95.08611	95.1
97.02894	10.2
97.06521	2.1
97.10188	9.9
99.04441	2.8
103.05475	3.6
105.04418	1.5
105.06327	2.4
105.07036	62.9
107.08598	67.1
107.09310	3.7
109.02893	5.6
109.06544	4.0
109.10165	59.5
111.04465	5.0
111.08099	3.8
111.11776	1.6
115.05473	2.2
117.07012	14.6
119.08587	58.3
121.06514	2.6
121.10146	50.7
123.08086	3.7
123.11700	25.3
125.09624	2.4
127.03934	5.5
128.06206	2.8
129.05502	3.5
129.07016	8.0
130.07809	2.4
131.08585	29.7
133.10144	47.9
135.08026	2.3
135.11697	35.0
136.06186	2.1
137.09641	2.0
137.13264	5.1
141.07014	3.8
142.07774	3.8
143.08597	16.4
144.09372	3.4
145.10136	37.0
147.08047	2.4
147.11694	36.6
149.09612	2.7
149.13252	34.8
151.11232	2.7
151.14767	2.2
155.08580	5.5
156.09331	2.6
157.10121	18.2
158.10913	2.5
159.11705	38.0
161.13266	28.6
163.11191	1.8
163.14816	22.0
165.09218	2.0
169.10136	7.2
171.11732	13.1
173.13275	28.6
175.14815	16.3
177.16345	9.7
181.10141	3.4
183.11743	8.0
185.13287	13.2
187.14832	16.0
189.16396	13.4
191.17963	5.1
195.11720	3.9
197.13228	9.9
199.14825	10.1
201.16464	14.2
203.17992	12.7
205.19629	2.1
209.13286	3.7
211.14891	5.2
213.16435	8.2
215.14297	1.5
215.17952	17.2
217.17751	1.6
217.19469	9.6
223.14835	2.6
225.16428	4.7
227.17986	5.5
229.19550	7.0
231.21120	9.1
233.19020	4.3
237.16470	3.9
239.17969	3.9
241.19586	4.6
243.17477	2.7
243.21133	6.1
251.17924	1.7
253.19661	2.4
253.82777	1.7
255.21068	3.2
257.22720	4.9
263.17883	1.9
269.22705	4.6
271.24203	23.5
281.22574	2.6
283.24194	2.2
287.23898	3.3
289.25140	4.0
299.23624	3.1
329.24765	2.1
379.26212	3.2
397.27444	2.0
431.28131	1.8
449.28903	1.9
503.42270	4.9
593.18573	1.7
629.46130	3.4
647.46313	7.0
665.47565	18.5
683.48810	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.9
53.03942	7.6
55.01862	4.5
55.05517	30.3
57.03447	4.3
57.07077	7.2
59.04993	5.2
61.02909	3.0
65.03920	4.8
67.05508	59.9
69.03435	17.1
69.07067	32.2
71.05002	4.1
71.08651	3.8
71.51015	3.0
78.12894	2.3
79.05498	52.4
79.60322	2.4
81.03418	23.9
81.07061	100.0
83.04975	4.2
83.08604	11.0
85.02901	13.3
85.06522	3.6
91.05478	45.5
93.06484	5.6
93.07047	74.5
95.04962	11.4
95.08616	74.7
97.02885	10.0
97.06519	2.9
97.10168	7.2
99.04425	4.6
99.08122	3.2
104.06290	2.6
105.07040	54.0
107.08602	71.4
109.02898	7.5
109.06495	6.8
109.10167	53.3
111.04466	5.1
111.08054	3.3
115.05488	2.3
117.07052	13.3
119.07810	5.1
119.08590	58.2
121.06514	7.8
121.10143	54.0
123.11732	23.8
125.09629	3.2
127.03912	9.1
127.11175	4.5
129.05460	4.9
129.06999	8.4
131.08580	31.1
133.10132	38.4
135.08069	5.2
135.11696	36.4
136.06207	11.8
137.09596	3.4
137.13257	9.3
141.07024	2.9
142.07822	4.7
143.08554	15.3
144.09352	3.6
145.10143	37.5
147.04391	6.9
147.11697	31.7
149.13235	26.7
151.11195	2.7
151.14824	4.4
153.12700	3.7
155.08600	4.6
157.10162	16.0
159.11688	38.4
161.13277	23.4
163.14821	16.5
169.10226	6.3
171.11702	15.8
173.13278	22.0
175.14813	16.7
177.16382	8.5
179.14491	2.9
181.10118	4.2
183.11688	7.5
185.09645	3.1
185.13297	11.8
187.14832	18.0
189.12796	2.8
189.16397	11.7
191.17950	5.7
195.11678	4.6
197.13310	8.0
199.14824	9.8
201.16418	13.0
203.17934	13.3
209.13339	3.3
211.11200	3.1
211.14888	5.0
213.16393	10.5
215.17957	16.1
217.19569	9.8
223.14796	3.4
225.16406	5.7
227.17999	8.2
229.19595	6.7
231.21024	2.8
239.17900	4.5
241.19550	4.4
243.21170	6.0
245.22699	3.3
249.18391	3.2
257.22656	5.9
267.21021	4.0
269.22598	5.2
271.24136	18.9
284.12912	4.0
287.23917	3.3
289.25333	5.4
299.23630	3.4
304.97836	3.1
313.25174	4.2
329.18082	5.1
340.68811	3.1
365.32028	3.0
379.26245	3.6
397.27005	3.7
503.42319	2.9
559.23529	6.3
571.47162	5.2
619.25507	3.5
647.46814	5.2
651.25061	5.6
665.48053	18.3
683.28125	5.9
683.48694	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.2
55.01878	4.7
55.05512	25.1
57.03430	5.2
57.07064	7.5
59.04988	6.3
60.71021	2.4
65.03933	4.0
67.05509	63.2
69.03435	16.9
69.07072	29.5
69.81767	8.5
69.82174	5.0
73.02898	2.2
79.05070	4.3
79.05495	48.5
80.10746	2.1
80.82182	2.6
81.03425	28.6
81.07058	100.0
83.04987	5.2
83.08618	12.2
85.02908	12.5
85.06509	2.5
87.04474	3.1
89.06041	2.5
91.05483	42.8
93.07046	72.9
95.04965	8.6
95.08611	89.2
97.02885	9.9
97.06521	5.0
97.10145	7.8
98.20776	2.6
99.04452	5.2
103.05452	4.1
105.07038	57.5
107.08598	68.7
108.08845	3.6
109.02885	8.1
109.06490	3.0
109.09470	3.8
109.10165	54.3
111.04442	4.9
111.11739	3.2
117.06994	16.6
119.08589	64.0
119.27068	2.2
119.97529	2.7
121.10150	54.8
121.71473	2.3
123.04418	3.3
123.08054	2.6
123.11717	25.6
127.03927	8.8
129.05492	2.9
129.06966	6.8
131.08580	30.5
133.10139	41.0
135.08043	3.4
135.11703	33.6
136.06213	19.0
137.13254	8.8
139.11133	2.7
143.08604	14.8
144.09326	2.5
145.10121	39.7
147.11696	32.3
149.09544	4.4
149.13274	27.3
155.08572	6.8
157.10130	18.2
159.11691	40.7
161.13261	29.7
163.11191	4.7
163.14880	20.2
165.06934	3.1
169.10130	8.1
171.11708	15.4
173.13277	24.6
175.14857	15.6
177.12738	2.2
177.16376	7.5
181.10016	3.8
183.11682	9.1
185.13211	12.4
187.14886	17.3
189.16409	16.9
191.17882	6.3
195.11674	5.1
197.13284	9.5
199.14880	11.5
201.16341	19.3
203.14227	3.3
203.17953	10.6
209.13298	3.1
211.14865	7.4
213.16339	9.6
215.17996	17.7
217.16013	3.4
217.19504	10.5
223.14763	4.5
225.16437	5.3
227.17947	7.5
229.19530	4.9
231.21054	9.6
233.19069	3.6
237.16437	3.7
241.19603	6.9
243.20943	7.1
257.22620	3.7
259.24222	2.7
267.20700	3.1
269.22678	6.6
271.24161	26.9
275.20386	2.5
289.25137	3.7
297.22223	2.9
299.23834	4.4
328.17633	5.8
363.38367	2.5
397.27271	3.5
459.26926	2.8
469.73721	2.4
503.42294	3.0
571.46667	4.1
619.25128	7.5
623.24603	6.4
629.45618	3.2
647.46332	8.0
651.27246	6.4
665.47577	22.7
683.48053	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.1
57.03418	1.3
57.07085	1.3
59.04996	3.4
65.81933	0.7
67.05499	4.7
69.07059	1.4
71.51321	0.9
79.05494	2.4
81.07062	4.3
83.08610	1.0
91.05494	2.2
93.07025	2.2
95.08607	2.6
101.12958	0.7
105.07025	1.3
107.08575	2.3
109.10161	1.2
109.27205	0.8
113.84048	0.7
117.07050	0.9
117.09106	1.0
118.06548	0.8
119.08556	1.7
121.10111	1.4
131.08626	1.0
135.11601	0.9
157.10127	1.1
168.82712	0.8
169.58006	0.8
181.07530	0.9
194.08282	0.9
195.09207	1.2
196.09909	0.9
208.10007	1.2
209.10780	3.0
210.11511	1.7
211.12279	1.4
212.13161	1.5
219.97031	0.9
221.10838	1.0
222.11545	1.2
223.08780	1.6
223.12306	4.1
224.09438	2.4
224.13054	1.9
225.10349	1.1
225.13840	6.4
226.14621	1.6
235.08672	1.4
236.09467	1.2
249.10036	1.2
251.11821	3.6
252.12549	1.4
253.13390	4.7
263.08197	1.8
265.06174	1.4
269.12949	2.4
279.11234	1.3
283.07245	1.1
291.07574	1.2
297.12128	0.9
312.57806	1.0
323.06610	2.6
341.07614	2.1
351.09772	1.6
369.10846	1.2
382.68942	0.8
404.15848	0.9
409.13803	1.1
410.15164	0.8
447.17722	1.9
459.22159	1.2
461.19815	1.2
462.20026	1.2
473.19955	1.2
475.21094	1.3
477.22598	3.3
484.18668	2.9
491.19403	1.2
491.36835	0.9
503.20972	1.3
517.22040	1.9
547.20441	0.8
548.24292	1.9
549.20929	0.9
551.21082	1.4
559.23425	1.3
561.21179	1.6
571.47321	1.6
576.23291	2.4
585.44995	0.9
591.26080	14.7
619.25311	4.2
651.28143	100.0
652.28589	5.0
683.28845	6.0
683.38898	1.0
683.44763	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98251	0.8
53.03949	3.0
55.01876	0.9
55.05514	10.7
57.03441	11.1
57.07076	1.7
59.04999	1.5
61.02930	1.3
65.03939	2.7
67.05508	52.8
68.05823	1.1
69.03442	1.6
69.07064	6.2
69.35701	2.4
69.36129	2.9
71.04991	2.1
73.02920	1.0
79.05495	40.6
80.57877	0.6
81.03419	1.4
81.07058	33.9
83.04995	2.4
83.08633	4.3
85.02914	1.9
85.06538	2.4
86.57384	0.7
91.05485	92.2
91.21773	0.9
92.05803	0.9
93.07047	34.9
95.04964	4.9
95.08613	20.7
97.06507	1.6
97.10189	0.7
98.20770	1.3
99.08108	1.7
103.73858	0.7
105.07035	39.0
107.08596	14.0
109.06514	2.0
109.10157	9.8
111.04451	1.0
111.08092	0.9
117.07028	6.4
119.03462	1.0
119.08585	9.7
121.10141	16.1
123.08046	1.2
123.11720	3.1
125.09608	1.0
128.06215	2.5
129.07147	0.8
131.08569	10.6
133.10135	88.9
134.10474	1.9
134.52937	0.6
135.11693	12.2
137.09607	1.1
139.11150	0.9
143.08551	4.8
145.10139	4.6
147.11678	3.5
149.09630	2.0
149.13280	5.6
151.11183	5.0
157.10118	1.3
159.11703	3.0
161.09625	12.0
163.11317	1.2
172.12393	0.7
173.13271	2.1
179.10631	2.1
197.11671	2.6
205.19539	1.0
215.17957	10.1
221.13919	0.7
233.19025	9.8
236.60002	0.7
251.12648	1.3
253.14368	58.0
254.14655	1.4
289.21655	1.2
307.22681	100.0
308.22977	2.6
485.32629	64.4
486.32764	2.4
503.33743	1.0
682.49933	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	2.1
53.03950	10.4
53.98127	1.7
55.01855	3.0
55.05520	24.8
57.03424	5.0
57.07075	4.9
59.05005	14.2
59.98119	1.9
61.69314	1.6
65.03947	6.1
67.05505	58.9
69.03429	14.5
69.07072	30.0
69.26830	16.8
71.04991	4.9
71.08608	1.7
77.03922	3.9
79.05492	42.7
81.03426	19.0
81.07060	100.0
82.55399	1.6
83.04983	7.6
83.08614	13.4
85.02898	14.1
85.06559	3.1
89.06004	2.7
91.05481	51.0
93.07045	74.0
93.07643	3.8
95.04964	9.7
95.08611	83.9
97.02907	10.7
97.03938	1.7
97.06548	5.5
97.10191	7.2
99.04489	4.2
99.08156	2.3
101.02437	2.2
101.06067	2.1
103.03971	2.7
103.05493	2.0
105.07035	70.5
106.07380	2.1
107.04945	2.0
107.08595	72.1
107.09308	3.6
109.02900	5.6
109.06522	5.8
109.10157	54.4
111.04452	4.3
111.08149	2.2
111.11775	2.3
115.03957	1.9
115.05441	2.6
117.07022	18.6
117.85143	1.7
119.08586	60.7
121.10150	37.9
123.04498	1.8
123.08090	3.4
123.11710	23.4
127.03947	7.2
128.06229	6.0
129.07010	19.3
130.07852	1.9
131.08578	33.4
133.10129	38.7
134.10899	1.9
135.08109	2.9
135.11694	24.4
137.09615	2.9
137.13271	6.3
139.11253	2.3
141.07024	7.6
142.07829	6.2
143.08554	24.6
144.09422	4.0
145.10132	38.6
147.08008	2.7
147.11681	33.6
149.09686	3.1
149.13261	19.5
155.08556	13.2
156.09380	4.3
157.10153	29.8
159.11681	40.0
159.12871	2.8
161.09676	3.2
161.13258	22.0
163.11186	2.2
163.14807	9.8
167.08633	7.2
168.09419	3.0
169.10167	20.8
171.11690	27.0
173.13283	24.8
175.11208	3.2
175.14804	14.0
177.09122	2.1
177.16490	7.2
179.08600	2.6
181.10158	7.1
182.10985	3.3
183.11687	16.0
184.12512	2.0
185.09677	2.0
185.13275	17.9
187.11275	2.2
187.14825	13.4
189.16365	12.0
191.17902	4.5
192.09467	1.8
193.10146	4.0
195.11729	11.8
197.13261	13.9
199.14865	16.1
200.15605	1.8
201.12830	2.0
201.16399	12.7
203.18013	6.5
207.11624	4.0
208.12581	1.8
209.13353	12.5
211.14854	13.8
213.16364	13.9
215.17946	10.2
217.19582	4.8
221.13312	4.2
223.14978	8.3
225.16466	8.0
227.18004	8.8
229.19643	4.7
233.19037	2.1
235.14995	4.2
237.16353	9.2
239.17931	8.6
241.15881	2.5
241.19614	6.0
243.21101	3.0
247.14856	2.0
249.16534	4.6
251.18013	7.3
253.19556	5.0
255.21185	5.1
257.19296	1.8
258.34283	1.7
263.17795	2.3
265.19498	3.1
267.21204	5.9
269.19696	1.9
269.22546	8.6
271.24112	2.0
279.21246	4.1
281.19205	2.8
281.22791	5.3
293.19263	2.8
293.22623	2.6
295.20508	2.4
307.24277	3.6
309.25711	2.0
501.41205	7.1
531.33417	2.1
627.44446	3.1
645.45721	5.9
663.46252	29.2
681.47449	77.0
682.47754	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	681.473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24357	2.7
53.03952	9.8
53.40752	2.3
55.01882	3.5
55.05515	24.8
57.03438	4.2
57.07076	6.3
59.05003	4.2
65.03931	3.9
67.05511	63.7
69.03440	13.9
69.03773	2.0
69.07068	28.0
70.37114	7.4
71.01360	3.2
71.05008	5.4
73.02939	2.9
75.04461	2.6
79.05495	47.7
81.03416	17.8
81.07062	100.0
82.81000	2.3
83.04999	5.6
83.08614	11.6
85.02911	15.8
91.05481	50.6
91.06013	3.6
93.07050	77.5
94.07395	2.5
95.04988	8.9
95.08613	82.2
97.02907	7.2
97.06528	12.6
97.10190	7.9
98.21410	3.0
103.05463	2.7
105.07034	63.0
107.08603	67.7
109.02913	6.9
109.06503	4.5
109.10166	53.0
111.04425	2.9
111.08116	2.5
115.05495	2.8
117.07026	15.9
119.08593	63.3
121.06503	2.8
121.10154	44.9
123.08155	2.5
123.11739	17.9
125.09673	3.8
127.03952	7.5
128.06262	4.9
129.07042	9.8
131.08569	34.1
131.09390	2.9
133.10132	35.0
135.11694	25.8
137.13306	6.2
141.07016	4.5
141.46185	2.3
141.79842	2.4
142.07834	8.9
143.08565	30.8
144.09393	2.8
145.04985	3.2
145.10136	46.7
146.10782	2.3
147.08060	2.6
147.11699	30.7
149.09654	2.8
149.13289	20.4
151.14815	2.8
155.08574	12.3
156.09332	5.7
157.10143	35.0
159.11720	35.5
161.09756	3.0
161.13263	20.6
163.11259	4.8
163.14851	8.0
167.08636	7.0
168.09302	3.0
169.10153	15.9
170.10931	2.7
171.11694	26.0
171.12984	2.9
173.13257	28.8
175.14845	12.5
177.16428	7.2
179.08487	3.3
181.10202	8.7
183.11732	19.9
185.09651	2.3
185.13290	22.9
187.14842	13.8
189.12743	3.6
189.16466	9.9
191.14470	3.3
191.17847	2.8
193.10147	3.7
195.11775	10.3
196.12599	3.2
197.13275	16.8
199.14868	19.0
201.16409	12.1
203.17970	4.4
205.19417	2.6
207.11771	2.8
209.13271	11.7
210.14020	3.2
211.14835	15.1
213.16386	18.3
215.18102	8.6
221.13458	3.6
223.14932	8.0
225.16460	9.7
227.18013	10.0
229.19630	3.6
231.17429	2.9
233.19035	2.7
235.14987	2.3
237.16481	4.3
239.18022	5.2
241.19635	4.5
243.17596	2.5
251.18047	3.4
253.19536	6.6
255.21167	4.2
263.18033	3.8
265.19684	4.5
267.21176	6.2
269.22824	8.4
279.21201	3.3
295.20932	2.7
305.22610	2.6
321.26022	2.2
461.28394	3.1
470.09171	2.6
499.39767	3.0
501.41074	5.1
513.32458	3.0
519.42365	4.3
555.36871	2.6
609.43591	3.5
627.43719	3.0
645.45135	7.5
663.46405	30.0
681.37842	6.4
681.47437	84.3
682.47943	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	680.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.1
55.05515	9.6
57.03431	2.9
57.07071	2.1
60.05650	1.9
65.03975	1.3
67.05501	19.9
69.07068	10.9
70.08166	4.6
71.08638	1.4
72.44504	0.9
79.05503	11.0
81.07059	34.3
83.04988	2.8
83.08594	4.6
91.05470	6.1
93.07046	8.7
94.03599	0.9
95.08616	13.5
97.06515	1.0
97.10168	2.1
105.07034	4.2
107.08611	5.9
109.06523	10.3
109.10160	8.9
111.04455	9.9
111.08123	1.2
119.08552	5.2
121.10149	6.9
123.08053	2.3
123.11721	3.0
125.06024	4.0
126.32814	1.0
131.08559	2.1
131.18954	0.9
133.10126	6.6
135.08083	1.7
135.11717	5.7
137.05983	100.0
137.13283	2.2
145.10143	2.8
147.08035	1.9
147.11688	7.5
149.09636	4.1
149.13257	1.7
151.07582	1.6
157.10172	2.2
159.11659	1.5
161.09583	5.9
161.13269	3.7
163.11143	2.6
165.09149	1.7
167.10663	1.1
168.06209	0.9
172.01027	1.1
175.11171	6.3
175.14818	0.9
179.10692	1.8
184.07399	1.2
193.12244	2.2
203.17955	6.2
213.16499	1.2
221.19037	2.1
231.17508	5.8
249.18517	6.9
277.18008	51.8
278.18246	1.1
295.19037	8.9
312.68454	1.0
327.07822	2.3
337.27374	25.3
351.21738	17.1
383.14056	2.4
383.24243	4.0
429.70630	1.0
439.20251	1.8
491.37350	2.9
495.26257	2.2
508.40707	1.4
551.32642	1.0
607.38861	2.3
613.44666	60.6
614.44830	2.9
645.37354	1.2
645.47327	10.9
663.45917	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	680.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.5
55.01868	5.7
55.05303	2.4
55.05519	25.9
57.03433	13.2
57.07063	4.1
61.02923	9.7
67.05511	31.7
69.03436	77.0
69.07069	20.9
69.99569	10.4
71.04987	8.4
73.02914	3.6
75.04485	15.5
79.05503	34.6
81.03425	25.7
81.07061	98.9
82.07374	2.3
83.04987	100.0
83.08624	7.3
85.02911	83.0
87.04482	2.7
91.03941	3.4
91.05487	36.9
93.07052	69.1
95.04972	10.8
95.08065	3.9
95.08619	53.2
97.02899	46.4
97.06535	6.7
97.10178	4.5
98.20846	4.4
99.04462	43.9
99.08118	2.2
103.05460	3.5
105.04507	2.6
105.07037	85.6
107.08601	70.4
109.02887	12.4
109.06516	8.7
109.10162	38.8
111.08079	4.6
111.11690	2.6
113.06013	2.7
117.07027	13.3
117.79739	2.3
119.08592	72.9
121.06572	3.2
121.10149	48.3
123.08069	4.8
123.11720	14.3
125.09615	4.2
127.02987	2.9
127.03925	59.3
128.06209	2.7
129.07025	5.5
131.08565	27.3
133.10149	37.8
135.08009	2.7
135.11719	22.0
137.09633	3.1
139.11142	2.2
139.68468	2.1
141.05498	13.8
142.07799	7.4
143.08577	16.0
144.09357	2.8
145.04945	27.3
145.10144	39.1
147.11705	31.3
149.09656	4.4
149.13293	14.8
151.14732	2.7
153.05457	6.6
155.08521	2.9
156.09375	3.6
157.10161	25.4
158.10927	2.8
159.11714	47.2
161.09602	2.4
161.13269	29.4
163.06119	4.4
163.14804	16.3
169.10226	3.1
171.11688	15.2
173.13287	27.2
175.14870	14.7
177.16434	3.9
183.06511	3.4
183.11725	5.0
185.13261	11.4
187.14900	15.0
189.16351	23.1
199.14786	16.5
201.07614	9.7
201.16389	18.1
203.17938	6.3
213.16393	23.8
215.17938	6.6
227.17926	10.6
229.19576	16.8
231.17267	2.4
267.21027	4.1
269.22653	43.8
270.23080	2.6
287.23746	9.6
607.97137	2.5
642.03796	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	680.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.2
55.01861	3.6
55.05515	18.6
55.36110	1.8
57.03431	4.2
58.79594	2.1
59.04991	2.6
61.02931	4.5
61.44947	1.9
64.63938	2.4
65.03915	3.1
67.05181	3.1
67.05507	43.6
69.03429	16.0
69.07083	14.1
71.04971	4.0
71.26954	2.8
73.02914	2.6
79.05498	40.3
81.03390	5.0
81.07060	88.4
83.04979	5.2
83.08630	4.5
85.02913	29.5
85.06527	7.0
91.04911	2.3
91.05484	47.2
93.07047	100.0
95.04946	7.1
95.08613	74.4
97.02902	13.2
97.06524	7.4
97.10159	2.3
99.04414	3.4
99.08070	2.1
103.05463	4.8
105.04573	2.5
105.07034	97.8
107.07878	4.1
107.08598	75.7
109.02867	3.0
109.06521	9.4
109.10159	28.3
111.08066	5.8
115.05449	4.0
116.06261	2.3
117.07021	9.1
119.08588	68.9
121.06508	2.5
121.10147	40.3
123.08054	6.0
123.11715	12.5
125.09637	19.9
127.03906	7.7
128.06241	4.6
129.06970	5.8
131.08578	23.9
133.10143	40.2
135.07982	2.3
135.11705	17.2
137.09581	2.8
141.06944	2.2
142.07780	4.9
143.08614	11.6
144.09319	3.2
145.04964	7.0
145.10130	31.5
147.11702	29.1
149.09657	3.8
149.13248	14.1
151.11140	7.4
155.08611	3.8
156.09351	3.8
157.10147	17.2
159.11690	29.0
161.13263	32.5
163.11119	4.6
163.14838	4.2
169.10153	3.5
171.11678	10.6
173.13283	15.3
175.14810	8.2
183.11768	2.6
185.13217	6.3
187.11172	2.1
187.14867	7.5
189.16367	6.3
199.14786	7.8
201.16362	11.0
203.14272	2.7
213.16411	11.3
227.17886	3.6
229.19485	8.6
269.22717	25.2
287.23682	6.6
301.68549	2.5
473.01578	2.2
537.66736	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	680.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	2.5
53.03938	7.5
55.01881	5.1
55.05511	17.2
57.03436	5.5
57.20712	2.8
61.02929	5.3
65.03934	4.4
67.05511	42.6
69.03437	18.6
69.07066	20.6
70.36114	2.9
70.81741	6.0
70.82088	4.8
71.05000	32.2
77.95047	2.6
78.28796	3.4
79.05495	42.4
81.03422	11.4
81.07063	100.0
83.04967	5.0
83.08630	11.4
84.17365	2.9
85.02911	74.5
87.04487	3.4
91.05488	38.9
93.07051	84.0
93.07636	4.9
95.04989	9.5
95.08615	70.2
97.02914	24.9
97.06534	3.9
99.04451	4.4
105.04472	3.5
105.07038	80.5
106.07365	3.2
107.08604	95.4
109.02894	7.6
109.06477	4.3
109.10152	53.7
111.08096	8.2
111.11755	3.9
115.03990	2.7
117.07034	9.0
119.08591	86.9
121.10149	48.9
122.50024	2.7
123.11748	14.9
125.09631	4.2
127.03934	18.6
128.06184	3.4
129.07045	5.2
130.75476	2.4
130.96057	3.0
131.08565	19.8
133.10141	39.4
135.11699	30.6
142.07791	7.1
143.08591	14.2
144.09311	3.3
145.04939	18.2
145.10126	44.7
147.11702	40.3
149.13252	15.7
156.09383	6.5
157.10138	21.2
157.37892	2.8
159.11713	43.0
161.13266	36.1
163.06023	7.0
163.14847	7.4
169.10135	3.1
171.11667	13.9
173.13310	24.1
175.14836	32.6
177.16422	7.7
185.13297	11.0
187.14862	9.8
189.16434	11.0
199.14839	8.4
201.16431	27.2
203.17860	3.0
213.16397	25.3
215.17912	4.6
217.19514	38.4
219.17564	5.4
225.16086	3.1
227.17876	6.7
229.19647	6.9
269.22617	48.6
269.25250	4.2
271.24176	6.2
287.23712	14.3
336.79776	2.8
449.28842	2.8
493.47867	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	680.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.8
55.05730	0.4
56.05042	3.1
56.96552	0.9
58.06604	2.4
60.04520	2.1
63.89106	0.4
69.04597	0.4
69.99985	2.2
70.02956	5.4
70.06602	5.6
72.08162	36.9
74.06090	11.9
84.04510	5.2
84.08150	2.8
85.02896	0.7
86.06084	1.5
86.09715	61.7
87.05602	6.4
87.10001	0.5
88.03986	2.0
91.05475	2.7
93.07050	1.2
98.02410	1.0
98.06078	0.9
98.97581	1.6
99.05618	0.5
100.07623	1.6
101.07163	1.0
102.05565	0.9
103.05471	4.9
105.07060	0.8
106.05049	4.0
110.02392	0.6
110.06062	1.6
110.07164	0.7
111.05585	1.5
112.99172	0.7
116.03466	1.4
119.08574	0.6
120.08116	100.0
125.06046	0.6
125.07121	1.4
126.05527	2.2
127.03934	0.5
127.05085	0.5
127.08653	0.5
129.06631	2.4
129.10262	1.5
130.05011	2.0
130.06528	1.2
131.00217	0.9
132.06578	3.0
132.08104	0.6
136.03947	1.2
138.05496	2.5
142.12244	2.4
143.08159	3.3
144.06586	1.2
147.09200	1.3
149.01262	0.6
153.06668	1.3
154.05011	0.8
155.04524	0.8
155.11833	0.8
158.72784	0.5
158.99664	1.0
165.10260	0.9
168.26004	0.5
169.09698	0.5
170.09335	1.4
170.99615	0.9
171.07690	6.2
172.07562	2.8
174.12943	0.5
175.08699	2.5
185.16510	26.8
188.10330	3.6
189.08736	10.5
189.10214	0.6
198.08809	1.7
199.07146	1.9
207.09766	5.7
210.46249	0.5
213.15994	17.2
215.13765	0.6
216.09824	10.4
217.07797	3.6
217.09943	7.9
219.14948	2.9
228.06635	1.8
234.12360	3.4
245.09274	4.2
247.14455	0.9
251.06572	0.5
257.12897	0.8
258.10825	3.9
259.10941	0.6
262.11902	16.9
265.15576	0.8
270.10083	0.5
286.10397	1.2
287.21109	0.5
303.13007	8.7
304.11365	6.7
311.16827	0.6
315.20654	1.5
317.16125	0.8
321.14142	4.2
327.20291	0.7
329.18298	0.6
335.17194	1.2
345.15674	2.5
346.14310	1.1
360.22760	4.6
361.18732	1.8
363.16638	9.9
364.15161	0.5
389.18600	0.6
410.23645	0.6
414.17941	0.6
428.25104	1.2
429.25168	1.2
432.18784	1.2
433.17273	2.7
434.15820	0.5
444.22519	1.8
446.27490	0.8
450.19873	13.0
450.26044	0.7
451.18256	6.8
458.24023	0.5
459.22757	0.5
462.23639	0.8
468.21103	6.4
474.27295	5.1
530.29779	1.2
547.32538	1.1
550.25006	0.9
557.31000	2.5
558.29449	1.4
575.32147	4.9
644.34021	0.6
645.32800	0.8
662.35107	4.5
663.33887	4.1
680.22113	4.0
680.35748	2.6
681.23083	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	679.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.5
55.01869	18.5
55.05507	12.0
57.03437	12.3
65.03959	3.0
67.05508	42.6
69.07068	8.6
70.06577	16.6
71.04202	2.7
71.50696	5.0
72.08154	7.0
79.05495	64.5
81.03422	12.2
81.07063	28.4
83.04990	13.3
83.08627	4.8
84.08157	11.1
85.02890	5.8
85.06536	4.9
86.09711	12.4
89.06043	9.8
91.05486	55.5
93.07047	60.1
95.01320	6.2
95.04964	17.8
95.08656	14.3
97.06519	12.1
99.04462	5.7
100.11256	15.9
102.05500	4.6
105.07034	14.5
107.04961	81.6
107.08589	47.7
109.06540	5.5
109.10167	4.1
111.04478	16.1
115.05489	7.3
117.07024	47.0
119.08577	14.7
120.08109	3.7
121.06522	16.8
121.10144	24.2
123.04523	4.0
125.09603	19.1
129.06964	4.4
129.10280	4.9
131.04955	5.3
131.08571	10.0
133.08618	3.9
133.10043	3.7
135.08061	100.0
135.11690	26.8
145.06497	26.1
145.10150	23.9
149.09550	3.6
153.09074	19.1
153.12782	6.3
155.08540	9.7
163.07556	43.0
163.11183	49.6
173.09601	24.6
181.08623	15.5
181.12285	8.8
182.15524	4.3
191.10661	14.5
199.09663	4.4
202.24344	3.0
209.11754	13.6
209.16594	4.0
210.14912	5.6
210.95006	2.7
225.24643	3.4
227.12709	10.1
237.11244	62.2
255.12271	45.4
265.14398	75.2
273.13370	57.7
283.15457	39.6
301.16440	23.4
405.68207	4.5
445.22211	30.4
463.23285	61.9
481.24072	20.0
499.25293	56.6
609.90082	3.2
679.51398	17.2
704.34918	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	679.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.0
55.05501	3.2
57.03431	0.9
57.07082	1.2
59.05000	6.4
63.39703	1.0
67.05517	5.2
69.07063	3.4
69.25440	9.1
70.06597	24.1
71.06909	1.2
71.08636	1.2
73.71983	1.1
78.66413	0.9
79.05473	3.8
81.03400	0.9
81.07051	6.9
83.04939	1.4
83.08623	2.0
86.09699	2.5
90.39163	0.8
91.05470	2.7
93.07043	3.6
94.64326	0.9
95.08604	3.1
97.06559	1.4
99.08087	1.4
105.06997	2.5
107.08588	2.4
109.10162	1.2
116.07102	30.7
117.07439	3.4
117.15218	1.1
119.08579	2.7
121.10160	1.8
123.11736	1.1
125.00043	2.6
145.10124	1.7
148.07552	2.8
176.06953	1.4
179.14389	1.4
184.07356	9.7
185.07716	1.4
211.55566	0.9
277.21628	1.7
293.21213	2.9
337.27255	1.0
351.25693	1.3
431.18597	1.5
443.18796	1.5
445.20242	2.0
446.21078	1.6
457.19879	1.6
459.21552	3.1
460.22653	1.1
461.23239	3.0
463.21170	1.2
469.20267	1.4
473.18759	2.0
473.24454	1.3
474.20236	1.3
485.19635	1.7
487.20917	1.5
489.22485	2.1
493.25882	1.3
501.22638	1.9
515.24207	1.9
516.22076	1.3
517.21985	2.1
529.22076	1.2
532.24121	1.9
533.23181	1.6
534.23431	1.8
543.23779	5.8
544.23950	1.4
545.22040	1.4
547.26532	3.2
557.24689	1.6
560.23950	3.6
561.24957	2.9
567.36090	2.1
571.23071	6.2
573.23480	1.1
575.26385	32.6
576.25629	2.7
577.24097	1.5
603.25818	29.9
604.26343	2.8
605.24121	2.3
607.28741	2.9
619.25427	4.4
620.25977	7.3
635.28430	100.0
636.28625	4.2
643.45868	1.6
647.24701	7.3
679.28387	16.6
679.46600	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	677.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03318	2.6
53.03949	20.3
54.05954	2.6
55.01863	10.9
55.05516	32.8
57.03434	22.3
57.07084	3.3
59.05007	7.1
61.02915	6.3
65.03937	4.9
67.05510	100.0
69.03437	36.4
69.07079	27.8
71.01344	2.5
71.05000	21.0
73.02911	5.3
77.75317	2.4
79.05502	90.0
81.03420	59.4
81.07066	78.4
83.04969	11.9
83.08624	21.5
85.02919	21.9
85.06544	5.2
91.04005	3.0
91.05488	80.1
93.07053	87.6
95.04963	21.8
95.08070	4.7
95.08619	57.0
97.02901	22.2
97.06539	16.0
97.10158	6.8
98.21573	5.7
99.04478	15.9
99.08102	4.8
103.05473	3.7
105.04553	3.1
105.06396	5.0
105.07040	54.0
107.04953	14.2
107.08612	47.0
109.02877	20.7
109.06510	11.8
109.10174	44.9
111.04449	25.8
111.08075	8.0
113.09597	3.3
115.05461	4.9
117.07011	31.3
119.07819	3.8
119.08598	48.5
121.06512	7.8
121.10155	36.7
123.04456	6.0
123.08073	12.0
123.11700	9.3
125.05975	5.0
125.09643	12.6
127.03947	13.0
128.06186	3.5
129.05475	3.8
129.07019	22.6
130.07693	3.0
131.04932	5.0
131.08585	37.0
133.06519	4.8
133.10136	49.0
135.08054	11.0
135.11702	28.1
137.06001	4.2
137.09605	8.9
139.11131	4.2
141.07008	7.8
142.07753	3.5
143.08569	19.1
145.06580	7.4
145.10133	42.5
147.08076	11.7
147.11694	25.7
149.09621	18.6
149.13301	6.5
151.07529	5.2
151.11192	11.9
153.07011	3.1
153.12741	3.2
155.08539	13.0
157.10110	16.6
159.08057	5.3
159.11714	19.6
161.09648	8.9
161.13283	6.8
163.11212	16.8
165.09109	4.7
169.10124	9.3
171.11746	16.3
172.28859	3.1
173.04434	4.3
173.09601	10.3
173.11853	3.5
173.13272	8.5
175.11180	8.8
175.14873	4.2
177.09152	3.0
177.12750	4.7
179.10652	2.7
181.10085	7.3
181.12305	3.3
183.11684	8.1
185.09657	3.9
185.13254	7.4
187.05898	3.6
187.11218	8.4
187.14862	5.3
189.11154	4.1
189.12755	5.5
191.10703	7.4
193.12277	3.4
195.11729	6.9
197.13318	6.8
199.11226	3.4
199.14793	3.7
201.12801	5.8
201.16472	2.9
209.11720	48.8
209.73415	3.0
213.12772	5.9
213.16348	6.7
215.17960	9.8
223.11066	3.0
223.14920	3.0
225.16313	5.3
227.12778	9.1
227.16389	10.0
229.14276	8.2
229.41496	3.9
231.13855	3.6
231.17500	6.7
233.18980	5.3
239.18019	3.9
245.19072	6.7
249.14818	4.3
256.26248	4.2
261.18491	6.9
273.18527	5.9
283.15311	19.0
285.18646	5.9
287.20145	6.4
303.19330	2.9
307.22650	5.5
311.19977	3.1
335.22272	5.2
345.20447	3.1
381.27859	2.9
387.27240	3.2
399.28906	2.7
405.27817	5.5
409.61954	2.8
423.28918	7.8
423.60065	3.6
441.30103	8.7
459.31055	7.9
473.32507	7.0
487.34357	4.0
491.33740	19.3
497.32632	20.7
507.25311	3.7
513.32275	3.0
515.33746	89.1
516.34009	4.3
533.34705	18.7
622.03113	3.7
641.36707	3.5
659.37390	14.9
677.38403	67.1
678.38281	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	677.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.3
55.01872	2.7
55.05515	18.1
57.03430	6.2
57.07074	5.4
61.02926	17.4
65.03941	3.0
67.05512	93.2
69.03441	3.1
69.07071	16.7
70.06815	8.7
73.02909	9.6
75.04525	2.5
79.05502	57.9
79.28510	1.8
79.44699	1.8
81.03412	2.8
81.07063	93.8
81.11296	2.1
83.08611	12.2
85.02917	21.5
85.06538	2.9
91.03965	17.9
91.05486	32.6
93.07053	67.9
95.04978	4.2
95.08616	67.7
97.02914	11.6
97.06507	5.5
97.10149	4.5
99.08073	3.4
105.07033	23.8
107.08603	43.5
109.10168	40.1
117.07008	10.8
119.08617	21.6
121.10152	40.0
123.08106	2.4
123.11707	20.5
123.69576	2.0
125.09677	3.1
127.03915	6.1
129.07028	2.4
131.08574	22.8
133.10117	14.4
134.28662	2.1
135.11714	30.5
137.09642	2.5
137.13260	5.8
139.11186	3.3
145.04993	9.7
145.10121	17.0
147.11702	12.4
149.09543	2.0
149.13281	23.3
151.11208	3.1
151.14769	3.8
159.11713	18.0
161.13231	12.9
163.06047	8.0
163.14885	17.1
165.12785	2.9
171.11575	2.4
173.13264	17.4
175.14847	6.0
177.16425	5.6
179.14371	3.7
184.07417	3.6
187.14774	12.7
191.14392	5.1
193.06512	1.9
201.16402	3.4
205.15857	3.2
215.17987	2.2
233.22649	4.0
243.21111	34.1
261.22168	100.0
279.23151	5.6
306.40961	2.1
335.25797	29.0
353.26837	30.9
425.87918	2.2
482.17047	2.0
497.31189	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	677.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.5
56.95074	0.2
59.05001	0.6
67.05496	1.2
67.84901	0.2
69.95054	1.0
76.71996	0.2
77.60052	0.2
79.05506	0.9
81.03436	0.4
81.07070	0.8
91.05491	0.7
93.07062	0.9
93.52670	0.2
95.06110	0.2
95.08617	0.4
95.21344	0.2
101.24566	0.2
105.07053	0.6
107.08613	0.5
109.10172	0.3
121.10143	0.4
144.58255	0.2
180.58887	0.3
184.07368	0.5
184.52954	0.2
185.04262	0.5
204.40341	0.2
227.26137	0.3
259.08032	0.3
347.09473	1.3
371.55328	0.3
378.48874	0.3
515.31958	22.6
516.32770	0.8
523.11420	0.3
677.37189	100.0
678.37622	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	677.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.3
54.72411	2.0
55.05518	21.9
57.03421	8.0
57.07066	6.7
61.02931	26.8
65.03912	4.9
67.05508	100.0
69.03432	10.9
69.07059	18.7
69.26426	5.4
69.26823	18.2
69.79579	2.0
71.04984	5.7
71.08618	2.8
73.02914	12.3
75.04463	3.0
79.05496	67.9
81.03441	12.7
81.06596	4.8
81.07059	94.9
83.04971	6.3
83.08624	10.5
85.02906	29.1
85.06519	4.3
91.03957	25.7
91.05478	38.1
93.06493	4.0
93.07050	72.2
95.04965	8.0
95.08611	77.3
97.02921	12.2
97.03432	2.8
97.06548	5.2
97.10162	6.2
98.21600	2.8
99.08091	3.9
105.07037	31.5
107.07884	3.0
107.08598	47.0
109.02860	4.6
109.06504	4.9
109.10168	34.4
111.04475	3.0
111.08090	5.3
115.03920	2.4
117.07016	12.3
119.08585	28.1
121.10149	39.8
123.08113	2.7
123.11687	18.3
125.09508	2.6
127.03919	10.9
129.06976	2.5
131.08585	27.0
133.10123	21.7
135.11691	37.6
137.09550	2.2
137.13249	8.1
144.41910	2.7
145.04929	10.8
145.10100	19.7
147.11687	14.9
149.09581	2.8
149.13266	21.2
155.08563	3.0
159.11713	17.6
161.13214	14.4
163.06013	16.3
163.11185	5.3
163.14810	13.9
165.12749	4.8
169.10130	3.8
173.13292	18.5
175.02502	2.0
175.14862	4.9
177.16325	8.4
179.14401	3.2
187.14832	12.6
191.10652	2.5
191.14371	3.6
201.16338	3.1
205.15862	2.8
209.11687	4.9
211.09225	2.4
215.17792	3.9
227.12811	3.8
233.22693	2.2
243.21089	31.6
261.22162	91.9
335.25784	15.7
353.26855	28.4
444.18381	2.9
445.18616	9.3
469.18851	3.1
470.19284	3.0
471.16586	3.0
541.20514	6.3
571.18127	2.5
617.22430	35.9
618.22241	4.0
645.21973	21.3
670.01910	2.9
677.37640	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	677.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85700	0.4
53.03941	0.6
53.88461	0.4
54.02210	0.4
55.01872	1.0
55.05523	2.3
57.03456	0.6
59.05008	0.5
67.05508	3.8
68.32294	0.4
69.03440	2.0
69.07066	1.1
71.05021	0.5
71.50758	0.4
79.05492	4.4
81.03426	4.7
81.07059	3.6
83.04987	1.3
83.08627	1.1
85.02907	0.7
85.06570	0.4
91.05467	3.0
93.07051	5.2
94.58293	0.4
95.04988	0.8
95.08631	2.0
96.35491	0.3
97.02887	1.8
97.06534	0.5
97.10179	0.6
99.04440	0.7
105.07027	2.0
107.04982	0.7
107.08585	2.0
109.02880	1.1
109.06567	0.6
109.10188	1.2
111.04427	0.7
117.07030	1.5
119.08607	1.2
121.10172	1.8
123.08057	0.4
125.09644	0.4
127.03934	0.6
129.07008	0.6
131.08580	1.0
133.06464	0.4
133.10141	1.3
135.08037	0.6
135.11705	1.9
137.09627	0.4
145.10150	1.6
147.08000	0.5
147.11679	0.5
149.09660	0.5
153.12787	0.9
157.10178	0.4
159.11734	0.7
161.09695	0.4
163.11194	1.7
169.10213	0.4
171.11763	0.6
173.09592	0.5
173.13348	0.5
181.12384	0.6
183.11685	0.6
185.04279	0.9
185.13293	0.4
191.10779	1.0
199.11340	0.4
203.05322	1.7
209.11726	2.2
210.73573	0.4
215.17920	0.8
227.12863	1.6
259.08078	0.8
283.15384	0.5
347.09653	1.1
365.10611	2.6
386.12595	0.5
387.13293	0.8
388.14078	0.5
400.15045	0.9
401.14969	2.2
402.15503	3.8
413.15714	0.5
414.15564	0.7
415.16269	1.2
416.16736	1.3
421.13202	0.8
429.18433	1.3
430.18866	1.5
431.19199	2.7
445.13535	0.5
446.14606	0.6
457.17270	1.2
475.18146	1.4
484.16443	0.4
485.16934	1.0
515.31958	20.4
516.31738	0.6
518.23914	1.0
541.19275	0.9
542.19482	0.8
545.22498	0.9
546.23322	2.3
562.22516	0.9
572.21960	0.6
573.21948	4.3
574.22064	1.3
589.22339	0.9
590.22290	7.8
618.21368	0.4
631.22546	1.5
633.24207	0.5
659.22430	1.8
659.37744	0.6
677.37238	100.0
678.37805	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	676.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59904	0.1
50.87311	0.1
51.43602	0.2
53.03950	0.3
55.05515	0.9
57.03438	0.8
57.07077	2.6
59.04993	0.6
67.05508	1.6
68.48316	0.2
69.07068	0.8
71.04980	0.3
71.08632	1.6
71.51574	0.3
79.05506	1.0
81.03423	5.3
81.07056	2.1
83.04977	0.4
83.08627	1.7
85.10180	0.9
91.05475	1.4
93.07054	0.7
95.04961	1.8
95.08609	2.1
97.02943	0.2
97.10175	0.4
105.07030	1.1
105.10029	0.2
107.04951	0.5
107.08598	0.4
108.47143	0.2
109.06532	0.2
109.10162	0.7
111.04456	0.2
111.08065	0.5
111.11696	0.1
116.07066	0.2
119.03571	1.4
119.08553	1.0
120.08853	0.2
120.83618	0.2
121.10149	0.4
129.07002	0.5
131.08569	0.6
133.06493	0.3
133.10127	0.3
136.06194	100.0
137.04610	1.1
137.06514	0.5
145.10294	0.2
147.11710	0.5
149.09608	0.2
149.13278	0.2
157.10147	0.7
163.11057	0.2
167.27184	0.2
175.11201	0.5
193.12279	1.3
215.12700	0.2
267.15930	4.2
313.27377	3.8
402.21326	0.2
420.22345	0.4
454.90439	0.2
504.38113	0.3
505.38843	1.8
658.45587	1.9
676.46381	5.9
708.19244	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.3
55.01860	0.2
55.05517	1.3
57.03435	1.0
57.07077	3.8
59.04996	1.7
67.02992	0.2
67.05502	2.2
69.03451	0.3
69.07062	0.9
71.08633	2.4
71.51154	0.3
79.05508	1.3
81.03419	6.5
81.07057	2.4
83.04971	0.5
83.08617	2.5
84.75880	0.2
85.10185	1.2
86.09708	1.5
87.04462	0.2
89.06022	0.3
91.05486	1.8
93.07055	0.9
94.04052	0.2
95.04981	1.9
95.08612	1.7
97.06511	0.2
97.10167	0.8
98.98441	0.3
105.04524	0.2
105.07050	1.2
107.04961	0.3
107.08635	0.3
109.06562	0.3
109.10149	0.7
111.08056	0.3
117.06989	0.2
117.09129	0.3
119.03571	1.1
119.08554	1.1
121.06557	0.2
121.10157	0.6
123.11706	0.3
124.19552	0.2
124.99996	1.1
129.06985	0.9
130.77316	0.2
131.08568	0.7
133.06488	0.3
133.08603	0.2
133.10146	0.6
136.06189	100.0
137.04594	1.2
137.06538	0.6
142.07771	0.2
147.11678	0.7
149.09612	0.5
157.10123	1.1
174.07785	0.3
175.11130	0.8
183.61569	0.2
184.07338	5.2
185.07724	0.3
186.07870	0.3
193.12213	1.9
211.13226	0.2
218.52834	0.2
223.71306	0.2
239.23775	0.3
255.20940	0.2
267.15918	3.6
268.16476	0.3
313.27359	4.7
346.18857	1.1
367.14792	0.2
397.10611	0.2
402.21368	0.2
420.22449	1.3
504.37659	0.6
505.38766	1.5
562.72186	0.2
658.45398	4.3
664.53589	0.2
676.46405	11.4
677.47186	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	2.0
52.13543	1.9
53.03939	9.6
55.01868	7.0
55.05512	25.9
57.03442	2.8
57.07076	7.1
57.17268	1.6
65.03934	5.5
67.05509	56.2
69.03436	51.0
69.03742	1.0
69.03814	1.8
69.07072	28.8
71.04989	3.4
71.08638	2.1
71.51228	1.8
71.51598	2.0
75.65638	1.7
79.05157	1.4
79.05496	50.4
81.03416	17.9
81.07063	100.0
83.04993	12.3
83.08620	14.1
85.02925	5.2
85.06531	2.4
87.04440	1.9
91.05490	52.0
93.07050	71.8
93.07642	3.9
95.04976	11.8
95.08614	80.1
97.02901	3.9
97.06546	8.2
97.10179	9.6
98.98454	3.2
99.04440	3.9
99.08147	1.9
103.05457	3.2
105.04554	2.4
105.07039	82.0
107.04980	4.9
107.08602	66.3
109.02903	8.8
109.06528	9.9
109.10168	57.2
111.04455	7.8
111.08098	2.6
111.11736	2.3
115.05470	3.3
116.06226	2.3
117.07026	17.6
119.08593	79.3
121.06528	5.6
121.10149	57.7
123.04435	3.4
123.08057	8.4
123.11710	24.8
125.06005	2.9
125.09749	2.1
127.03938	6.6
128.06248	5.9
129.05515	2.7
129.07011	13.7
130.07829	2.1
131.08580	36.0
133.06511	3.8
133.10136	48.3
135.08052	3.3
135.11720	27.8
136.06160	3.3
137.05972	3.3
137.09619	3.8
137.13257	5.1
141.07027	5.5
142.07811	7.0
143.08559	27.4
144.09309	2.0
145.06480	3.8
145.10132	52.9
147.08076	4.4
147.11700	34.2
149.09659	4.6
149.13268	29.6
151.11121	2.5
154.07854	2.9
155.08568	12.5
156.09358	5.8
157.10147	34.4
158.10887	2.8
159.08115	3.7
159.11700	44.9
161.09644	4.8
161.13264	29.4
163.11188	3.6
163.14832	14.4
165.07027	2.2
165.09206	3.7
165.12817	1.7
166.07819	3.6
167.08626	4.8
168.09354	2.6
169.10130	18.8
170.10973	3.9
171.11688	26.9
173.09671	7.1
173.13266	32.7
175.11200	7.4
175.14812	16.6
177.09270	2.3
177.12761	1.7
177.16426	4.1
179.08580	3.2
179.14288	2.0
180.32932	1.6
181.08679	1.9
181.10170	8.1
182.10893	2.3
183.11690	19.3
184.07370	2.6
184.12129	1.7
185.09634	3.6
185.13255	18.1
187.11273	5.9
187.14824	22.0
189.12744	2.0
189.16370	11.8
191.17941	3.2
193.10188	5.9
193.12321	2.0
195.11705	12.3
196.12538	3.0
197.09692	1.8
197.13234	14.5
198.14079	2.5
199.11310	2.3
199.14838	21.2
201.12798	3.5
201.16385	14.2
203.14435	2.3
203.17929	8.1
207.11731	6.3
209.13300	10.8
211.11263	1.9
211.14812	14.6
213.12917	4.4
213.16386	21.5
215.14424	3.8
215.17984	14.9
217.12233	1.9
217.19493	4.8
219.11845	2.3
221.13310	3.9
223.14879	8.8
225.12721	2.3
225.16469	10.1
227.17981	10.7
229.15987	2.0
229.19563	6.3
234.13863	2.0
235.14830	3.3
237.16431	5.6
239.18024	6.8
241.15997	3.1
241.19548	10.6
243.17297	2.3
243.21220	5.2
249.16481	2.9
251.18097	4.1
253.19572	7.3
255.21022	8.2
257.19226	2.4
257.22757	4.5
259.20502	2.4
261.16479	2.4
261.22275	4.2
263.17972	2.7
265.19623	4.2
267.21143	5.4
269.22626	29.3
271.21017	2.9
271.24252	19.7
279.18039	2.7
279.21112	5.0
280.55350	1.9
281.19708	2.5
281.22620	12.3
283.21228	2.0
283.24353	7.1
291.21082	2.5
293.22729	7.5
295.24243	4.7
297.22174	2.7
299.23700	18.8
301.21747	1.7
309.22229	2.0
311.23340	9.7
315.23294	2.1
325.25299	2.4
329.24664	11.5
335.23615	2.2
337.21771	2.1
337.25296	3.8
355.26224	3.0
361.25388	9.0
367.26288	1.8
379.26315	23.8
397.27386	30.7
397.31995	3.0
415.28641	4.0
465.35754	1.9
503.37408	3.9
611.48602	2.3
639.47711	10.2
640.48138	2.7
657.48682	31.9
673.51068	2.1
675.49847	74.1
676.50037	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	675.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08963	0.3
57.30075	0.3
58.79319	0.3
69.85040	1.8
70.47379	0.3
74.02332	0.3
86.86303	0.3
97.08900	0.3
99.71265	0.4
187.37135	0.4
426.46329	0.4
427.18118	0.4
439.14203	0.5
445.18600	0.5
453.16168	0.5
454.16458	0.9
455.13217	0.5
467.13525	1.5
468.13739	2.2
469.14856	7.2
470.16074	1.4
471.16739	1.1
472.17368	0.5
479.17416	0.7
480.13644	0.6
481.14618	2.8
482.15848	9.4
483.16632	10.1
484.17047	1.8
485.18256	0.7
495.16721	2.6
496.17590	5.6
497.18280	37.1
498.18991	4.2
499.19901	0.9
510.19733	1.6
511.19739	5.8
512.20697	1.3
515.19635	0.9
523.16815	0.3
525.20190	0.3
528.16650	1.8
529.17511	0.5
538.20013	0.5
541.17438	0.5
542.17877	2.3
555.18329	2.7
556.19476	3.1
557.20337	2.6
558.20575	0.4
569.20483	0.8
573.22198	0.6
583.21747	0.6
587.21417	0.4
616.21533	0.8
617.22455	0.5
629.22742	0.7
630.22815	0.4
643.24078	6.0
644.24731	7.5
645.24176	1.5
657.25476	5.8
658.25659	0.6
660.24347	1.1
675.26654	100.0
676.26935	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	675.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59479	0.2
56.80019	0.2
69.85166	1.0
81.07059	0.2
87.34795	0.2
95.06085	0.3
115.53722	0.2
163.30940	0.2
197.64539	0.2
223.19969	0.2
400.15134	0.3
412.15485	0.4
413.16226	0.9
416.14691	0.6
426.17157	0.4
427.17743	0.5
428.18832	0.5
429.15286	1.1
430.16513	0.8
439.13708	0.4
440.19119	0.4
441.20218	1.1
442.16449	0.6
443.17371	1.0
444.18185	1.4
444.93082	0.2
445.18860	2.4
452.14700	0.4
453.15857	0.5
454.16754	0.4
455.13062	0.7
455.18448	0.4
456.13635	0.6
456.18515	0.8
457.14331	2.0
458.19781	0.7
459.20663	0.4
467.12930	0.7
467.17511	1.3
468.14685	0.9
468.18240	0.3
469.14243	2.7
470.15506	2.1
471.16498	3.3
472.17593	1.5
473.18359	0.8
480.13931	1.8
481.14709	3.1
482.15826	3.1
483.16614	4.1
484.17746	1.1
485.18542	4.7
486.18704	0.3
494.15875	0.4
495.16718	10.8
496.17499	5.2
497.18304	9.4
498.19321	1.7
499.15521	0.3
499.19998	0.9
500.17139	0.8
503.19638	0.4
509.18555	0.4
510.19440	0.2
511.20062	1.3
513.17383	1.5
514.18207	0.4
515.19373	0.7
523.15979	0.4
525.17450	0.4
527.19196	0.6
528.16046	0.6
529.20673	0.9
530.21301	0.5
531.18933	0.5
539.19366	0.6
541.17072	0.6
542.18549	0.6
544.16034	0.5
545.24646	0.4
555.18689	10.1
556.19531	0.8
557.20459	0.5
569.20642	0.7
573.23895	3.5
583.22101	0.8
585.22736	0.8
601.22980	0.4
616.22131	0.4
617.22614	2.7
627.20825	0.4
643.24036	4.1
644.24408	1.4
645.21936	2.1
657.25684	0.6
660.24292	4.6
661.24384	0.4
675.26666	100.0
676.26947	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	675.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.5
57.79328	0.7
59.05006	4.8
60.83918	0.7
62.00902	0.8
66.61963	0.7
67.05533	4.2
67.05853	0.7
69.07076	1.8
69.60328	1.5
69.60735	4.2
75.00585	0.7
79.05505	2.9
81.03468	0.8
81.07056	2.5
83.08634	1.1
87.04468	1.0
89.06052	1.4
91.05495	2.9
92.53904	0.7
93.07050	2.2
95.04948	1.0
95.08622	2.3
105.07055	1.4
107.08628	1.3
109.10156	1.5
117.09138	1.0
119.08566	1.3
121.10126	1.3
136.06233	3.9
142.03120	0.8
145.10208	1.0
145.49524	0.8
175.11206	1.0
184.07434	1.9
360.65799	1.0
397.13242	1.0
398.13831	1.9
399.14655	4.3
400.15466	0.9
412.15207	5.7
413.16040	16.3
414.17148	20.5
415.18073	3.5
425.16092	1.1
426.16772	5.8
427.17651	17.7
428.18460	25.3
428.27246	1.0
429.18741	1.7
430.16388	2.0
431.16956	1.1
432.19421	1.3
433.19177	1.1
440.18744	1.0
441.19620	14.0
442.19937	27.0
443.20813	10.0
454.20023	0.9
455.16150	1.5
455.20996	2.6
456.21625	1.7
457.14529	1.0
458.15536	1.4
469.18753	39.2
470.18997	24.5
471.16867	1.7
472.17505	6.0
473.18094	7.5
474.18863	5.0
483.21255	1.0
484.13770	1.4
486.19012	3.2
487.19882	1.0
496.17197	1.5
497.18454	1.4
500.19888	1.9
501.21222	2.9
509.18173	2.4
510.18710	2.3
513.17657	22.3
514.17926	20.5
515.18134	1.6
523.20190	0.9
524.20276	0.9
525.21594	7.4
529.24127	1.7
539.22369	1.0
541.20911	1.1
556.22748	1.1
557.24030	100.0
558.24182	5.8
573.23151	2.2
587.21387	0.9
588.25873	29.5
589.26270	1.3
596.25629	1.3
597.26276	2.9
600.21948	1.4
601.22266	3.8
615.15198	1.3
615.24597	16.8
616.24792	68.4
617.24646	3.4
631.28699	3.3
643.24072	49.0
644.23987	3.3
647.26660	1.8
675.26917	8.5
675.44922	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	675.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95332	0.9
55.05514	1.4
57.03442	1.6
57.07075	4.6
59.04996	1.7
61.02929	2.5
65.00338	0.8
67.05506	4.3
69.03436	1.2
69.07069	2.4
70.80702	2.5
71.08644	4.6
72.09006	0.9
72.79732	0.9
75.66429	0.8
79.05498	3.6
79.13927	0.8
81.03405	1.4
81.07070	3.8
83.08621	2.8
85.02906	2.6
85.10193	2.2
86.09693	1.4
91.03954	1.9
91.05498	1.4
93.07052	2.7
95.08611	5.0
97.02881	2.3
97.10149	1.9
98.97588	1.1
105.07067	1.4
107.08591	1.4
109.10168	1.7
117.07014	1.3
119.08593	1.3
119.39278	0.9
125.09646	2.1
131.00192	2.1
145.04953	1.1
149.01256	1.8
152.44839	0.9
152.85452	0.9
156.03636	3.9
158.99646	1.1
163.06010	1.1
184.07404	1.2
188.41728	0.8
189.11238	1.4
190.31418	0.9
212.03624	1.0
212.05583	0.8
227.12849	1.6
235.05495	0.9
239.23698	2.4
240.24060	1.5
293.05518	1.2
313.27435	6.1
314.27655	7.7
315.27875	5.1
316.28152	1.1
332.28909	1.0
332.45901	1.1
347.17297	7.5
347.67368	9.3
348.17590	1.3
370.10556	1.2
384.12128	4.8
385.13013	15.1
386.13715	5.9
397.12701	2.8
398.13770	7.4
399.14548	24.0
400.15366	67.3
401.15680	5.0
411.14633	2.9
412.15408	11.2
413.16153	19.1
414.16925	23.5
415.17639	4.5
416.14752	0.9
425.16391	1.6
426.16879	3.7
427.18192	11.0
428.18707	16.2
429.19287	51.3
430.12430	1.3
430.19717	3.1
441.14752	1.9
441.20117	1.6
442.16269	5.5
443.13623	4.4
444.14343	11.6
445.14642	1.4
447.20291	2.0
455.17233	19.9
456.18073	9.2
457.14362	2.8
457.18906	3.6
458.15747	4.8
459.16553	6.3
466.12253	1.2
467.13217	2.7
469.18817	1.7
470.19321	1.6
472.17621	6.1
473.18326	19.5
474.18777	1.2
481.15054	3.1
482.15509	3.0
483.16653	13.4
484.21521	1.7
486.15329	1.2
487.16141	4.5
488.17044	1.0
495.17062	2.4
496.17191	1.8
497.17926	2.4
499.16226	4.3
501.17368	10.0
502.18323	3.2
510.14612	1.9
511.19965	1.1
512.20575	1.3
514.19281	0.9
516.23749	11.2
523.16144	2.8
527.15442	8.2
531.17853	1.1
537.17554	1.1
539.19434	12.2
540.19647	13.8
541.19232	1.5
542.21411	1.1
543.22485	14.3
544.23248	33.5
545.23425	2.0
555.18823	2.8
560.22650	14.3
570.20551	3.3
571.21936	56.8
572.22247	23.1
573.20294	2.3
575.24908	3.5
585.23090	1.4
587.21588	6.2
588.22211	100.0
589.22272	5.5
593.83704	1.6
601.22650	3.7
603.24725	5.7
615.21033	8.7
616.21051	7.9
619.23785	3.7
629.22552	18.2
631.24017	7.2
647.23248	5.5
650.08136	1.2
657.21887	20.1
658.22101	1.3
675.22803	17.2
676.22833	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	674.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.5
55.05516	4.6
57.03453	1.2
57.07074	1.4
59.05012	1.3
67.05504	2.2
68.36114	0.3
69.03398	0.4
69.07074	3.8
69.16903	1.8
69.17329	0.7
70.71059	0.3
71.04997	0.4
71.08619	1.1
79.05492	2.1
81.03424	7.9
81.07051	2.2
83.04967	0.9
83.08628	4.6
85.02897	0.5
85.10179	0.4
86.09735	0.5
89.06020	0.4
91.05493	1.9
93.07064	1.6
94.04071	0.4
95.04961	2.4
95.08618	1.6
97.02881	0.5
97.06506	0.4
97.10177	2.8
105.07038	2.0
107.04966	0.5
107.08601	1.0
109.06509	0.3
109.10165	0.7
111.04507	0.3
111.08044	0.8
111.11741	0.6
117.09091	0.3
117.94957	0.2
119.03562	1.5
119.08626	1.7
119.12643	0.3
121.06519	0.4
121.10159	1.0
125.00008	0.2
129.06979	1.2
131.08556	1.1
133.06468	0.4
133.10136	0.8
135.11708	0.5
136.06192	100.0
137.04544	1.2
137.06618	0.4
139.11140	0.3
142.07829	0.4
145.10052	0.3
147.08075	0.5
147.11638	1.2
149.09634	0.7
157.10135	1.0
175.11241	0.9
184.07384	1.0
188.27785	0.3
192.08815	0.3
193.12230	2.4
211.13268	0.4
238.14612	0.3
267.15912	5.3
311.25781	5.2
315.16241	0.2
346.19089	1.2
420.22372	1.0
441.19232	0.5
447.22281	0.3
456.25461	0.3
469.18799	1.2
503.37585	1.5
505.38855	0.4
513.17798	1.0
554.79468	0.3
557.23712	0.3
570.28363	0.3
595.25476	0.7
596.25745	2.2
602.30084	0.4
610.27246	1.4
612.29376	0.8
614.27313	0.3
615.24792	2.4
616.24774	0.4
630.30261	2.1
638.27094	0.4
656.27820	0.5
656.32123	0.4
656.43799	5.3
674.28766	1.9
674.44867	17.6
675.45038	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01349	0.1
51.68233	0.1
53.03935	0.4
55.01868	0.2
55.02995	0.2
55.05515	2.9
57.03440	0.9
57.07084	1.0
59.05006	0.8
67.02998	0.1
67.05515	1.4
69.03432	0.2
69.07076	3.0
71.08654	0.6
71.08959	0.1
71.50639	0.1
72.65238	0.1
74.38512	0.1
79.05508	1.1
79.45451	0.1
81.03423	6.4
81.07062	1.4
83.04961	0.3
83.08621	3.1
83.73299	0.1
85.10182	0.2
86.09696	0.2
89.06026	0.1
91.05491	1.4
92.02478	0.1
93.07048	0.8
94.04079	0.1
95.04978	1.7
95.08624	0.7
97.02890	0.2
97.06533	0.2
97.10184	1.4
98.40412	0.1
105.07027	1.2
107.04956	0.4
107.08617	0.6
107.77859	0.1
109.05101	0.2
109.06528	0.3
109.10146	0.2
109.97696	0.1
111.08076	0.5
111.11721	0.4
115.05450	0.1
117.06989	0.1
117.09109	0.2
119.03554	1.3
119.08590	1.0
121.06477	0.2
121.10139	0.5
122.50935	0.1
124.99977	0.1
129.07025	0.7
131.08548	0.5
133.06465	0.2
133.10136	0.4
135.11731	0.2
136.06194	100.0
137.04610	1.0
137.06532	0.4
142.07782	0.2
147.08046	0.1
147.11687	0.4
149.09630	0.3
157.10115	0.6
159.11557	0.1
174.07828	0.2
175.11186	0.5
180.86063	0.1
184.07384	0.6
193.12248	1.6
267.15918	5.0
311.22220	0.2
311.25806	2.9
344.17245	0.1
402.21243	0.2
503.16306	0.1
503.37366	1.5
640.88165	0.1
656.43726	1.7
674.44916	5.6
675.45026	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.4394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.2
56.05037	0.6
58.06628	0.4
59.04993	0.3
60.08170	5.9
60.62198	0.2
67.05515	1.3
69.07065	0.3
70.95072	0.2
70.95417	0.3
71.07384	3.8
77.34050	0.1
79.05496	0.5
81.07043	0.7
83.08643	0.2
86.09714	29.4
87.04462	0.1
87.10040	0.2
91.05486	0.2
93.07063	0.5
95.08626	0.6
97.06503	0.1
98.98476	3.3
104.10757	2.0
105.07059	0.3
107.08591	0.4
109.10152	0.6
119.08589	0.2
125.00016	20.4
131.08525	0.2
135.11705	0.1
136.06110	0.2
184.07356	100.0
185.07697	0.6
288.15991	0.2
325.02328	0.1
412.20755	0.4
432.12079	0.2
464.68301	0.2
502.33145	0.2
586.76648	0.2
674.43878	3.5
675.43976	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85703	0.6
53.03935	1.2
55.05516	16.9
57.03427	0.6
57.06611	0.6
57.07080	9.0
59.05009	11.3
59.36461	0.6
61.02922	1.1
67.05508	4.1
67.35851	0.6
69.03441	3.8
69.07075	33.9
70.06596	0.7
70.56003	1.9
71.04980	0.8
71.08633	3.7
72.08138	1.0
73.02918	0.7
73.06553	1.7
77.06033	0.9
79.05499	1.5
81.03417	2.2
81.07050	5.1
83.08627	19.3
85.02909	11.8
85.03380	1.0
85.10185	1.7
87.04476	26.5
89.06039	36.5
91.05516	0.8
93.07053	0.7
95.08614	6.0
97.02903	2.9
97.10178	22.7
99.40968	0.7
103.03952	100.0
103.07584	7.0
107.07069	3.1
109.02895	1.9
109.10162	4.9
111.11735	12.2
119.07056	1.6
121.05009	0.8
121.08627	1.5
121.10142	0.7
123.11707	2.0
125.13282	6.1
127.03932	2.2
131.07050	8.9
131.95079	0.6
133.08621	15.3
145.04956	1.4
147.06519	7.2
147.10172	2.2
151.09676	2.6
160.99008	0.7
163.09669	2.7
165.07489	1.0
165.11316	0.6
175.09676	4.9
177.11256	6.1
179.17990	1.2
191.09167	7.4
195.12299	1.0
197.19043	7.4
199.20601	5.7
207.12282	3.1
209.10185	1.2
209.13866	1.7
219.12277	1.1
221.13918	0.9
223.20587	1.3
235.11800	7.7
239.14943	0.6
241.21642	1.9
243.23309	2.9
251.14883	4.1
253.12910	1.6
253.16492	3.3
261.61472	0.6
269.15997	2.9
269.24875	1.0
279.14401	3.6
287.25821	6.6
297.15482	18.0
331.28586	4.3
345.26279	0.7
375.31189	1.6
393.32123	2.6
419.33575	0.9
431.33969	0.7
437.34958	1.4
449.34729	3.7
477.34296	5.0
495.35336	33.1
496.35553	0.9
667.78046	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29528	1.7
50.78872	1.8
55.01870	4.2
55.05515	48.1
57.03446	14.1
57.07053	3.8
59.04991	3.8
61.02916	3.8
61.48014	1.7
65.03918	1.9
67.05508	46.1
69.03420	6.1
69.07077	14.7
70.06586	5.2
72.08177	9.7
74.73547	1.7
79.05494	50.4
81.03413	2.8
81.06592	3.0
81.07061	44.0
83.04964	2.2
83.08620	27.1
83.27914	1.7
84.08142	3.6
85.02892	4.8
85.06542	3.7
86.09711	17.9
86.14158	2.0
91.03936	3.3
91.05463	14.3
93.07045	43.9
95.04957	5.7
95.08609	24.7
97.06505	2.5
97.09555	3.5
97.10175	62.8
98.06020	2.5
98.21638	4.2
99.08119	3.6
101.43741	1.7
105.07037	11.6
107.08600	32.0
109.06470	2.6
109.10160	15.7
111.08083	4.0
117.07042	6.6
119.08603	10.0
121.10158	18.4
123.11707	4.3
125.05997	5.9
125.09631	56.6
128.64778	2.0
131.08577	11.3
133.10147	9.2
135.08078	5.9
135.11699	18.7
142.08635	10.1
143.10631	2.7
143.43893	1.7
145.10092	6.8
147.11685	5.8
149.13239	8.4
153.09070	4.3
159.11674	6.6
160.09717	19.5
169.89969	2.0
171.10127	5.7
173.13229	5.7
184.07352	2.5
189.11212	41.4
205.19553	2.9
215.17975	24.0
227.12793	59.6
233.19041	26.0
241.15086	1.9
245.13861	100.0
307.22678	90.0
307.25345	2.1
308.22772	2.1
314.27551	4.1
315.27969	2.4
409.87891	2.2
459.30862	3.6
477.25195	3.7
477.32111	62.0
633.49188	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.4
55.05505	6.0
55.75996	2.4
57.07082	4.2
59.04994	10.4
67.05501	11.7
69.03417	5.4
69.07066	4.7
71.08618	4.9
73.16532	2.1
79.05499	8.9
81.03441	4.9
81.07064	12.2
89.06036	6.5
91.05486	8.0
93.07059	13.8
95.04954	3.4
95.08616	14.3
105.07043	7.5
107.08591	6.6
109.06525	2.4
109.10190	4.4
109.65959	2.1
117.07072	3.8
119.08590	7.4
121.10154	2.5
128.90970	2.4
131.08559	7.8
132.08134	2.6
133.08624	4.1
133.10109	2.9
135.11737	4.0
136.06230	2.3
143.08595	3.6
145.10132	3.8
146.09615	2.5
147.11700	3.9
158.06139	2.5
159.09209	6.9
159.11713	4.8
164.10805	3.0
175.14819	2.3
177.11270	3.3
181.10251	3.5
208.11333	3.2
209.10719	3.7
210.11563	4.4
211.12399	4.6
221.10619	3.4
223.12320	8.3
224.13054	4.1
225.13902	7.6
229.83162	2.6
233.10632	2.5
235.12297	2.8
236.14522	2.4
237.13933	10.3
238.14702	10.9
239.15431	5.2
250.13408	5.0
251.15489	5.4
253.17046	8.1
259.07431	2.5
261.13351	2.6
276.15106	4.0
286.13702	2.3
288.15323	2.2
300.14844	3.1
301.15909	2.9
304.14651	2.9
305.20810	2.1
314.16772	2.6
316.18253	3.3
318.15988	3.8
341.18634	3.1
342.16000	3.0
352.18173	4.2
354.19644	4.5
363.16214	4.0
366.19406	4.4
367.19449	4.3
369.20779	2.8
377.18280	3.3
378.18896	4.0
379.19244	6.1
381.21240	3.2
393.17056	3.6
395.18991	2.5
397.20404	4.1
402.22385	2.9
403.22717	3.6
405.17065	3.7
406.17715	6.8
407.18375	5.1
408.19815	4.4
409.20340	7.0
411.22110	4.4
414.21616	2.9
420.19479	6.4
421.19971	6.0
422.20956	2.8
423.22226	10.8
435.22122	4.2
437.23447	4.9
438.20206	2.9
439.21350	5.0
441.23346	3.7
443.22308	4.2
448.18491	13.0
449.19370	3.7
453.22894	2.8
461.24161	2.8
462.20670	5.2
466.19534	5.4
468.25372	5.2
480.21667	11.6
492.21753	2.6
493.22314	2.5
496.24869	2.8
507.23981	3.6
508.21616	2.5
509.25861	5.1
512.26086	2.8
519.23883	4.0
523.27106	4.3
527.26233	3.1
541.28296	3.6
543.25830	3.3
544.26239	3.1
551.26367	10.1
552.25214	3.5
554.25391	5.9
555.26276	2.9
569.27405	16.4
571.25781	2.9
577.24207	5.5
579.25830	2.9
583.29205	2.7
587.28748	10.8
594.24878	21.1
595.25549	100.0
595.35205	4.8
596.25586	6.0
597.25964	3.6
601.30389	13.4
605.23761	8.5
609.27063	53.1
611.28662	22.7
612.26080	13.0
613.26526	8.3
614.27039	9.5
623.25293	7.8
629.29736	93.3
630.30481	4.6
631.27332	14.8
637.26599	13.2
655.27478	25.3
655.47583	2.5
673.28650	77.1
673.47699	4.4
674.28583	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	673.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.05502	2.5
57.03422	0.8
59.05004	1.4
60.08158	4.8
60.73411	0.8
66.83474	0.7
67.05500	5.1
69.03427	1.9
69.07057	2.5
70.90086	1.6
71.07359	2.5
79.05488	3.1
81.03445	1.6
81.07059	6.4
86.09708	25.6
87.10026	3.0
91.05480	3.2
92.64027	0.7
93.07059	5.6
95.04969	1.9
95.08601	4.9
97.02910	0.8
98.98474	2.7
104.10748	1.3
105.07045	4.2
107.08575	3.6
108.04458	0.8
109.02870	1.2
109.10165	4.8
117.07007	1.0
119.08585	4.4
119.17480	0.8
121.10181	2.0
123.08062	0.8
123.11708	1.7
125.00022	15.9
129.06944	1.0
131.08598	2.0
133.10141	2.4
134.06039	1.0
135.11693	1.2
142.07788	1.1
143.08601	1.3
145.10117	2.9
147.11693	1.4
149.13264	1.9
155.08553	1.3
157.10117	2.6
159.11684	2.4
161.13324	0.9
169.10106	1.3
171.11674	1.7
173.13245	1.8
183.11722	2.0
184.07353	79.5
185.07693	11.4
185.13295	1.8
187.08701	1.1
195.11754	1.3
196.09930	1.3
197.10667	1.1
199.08736	0.8
199.14832	0.9
201.16490	1.6
209.10709	1.8
210.11501	2.2
211.08595	1.8
211.12321	2.4
212.09438	1.4
213.10240	0.8
223.08653	2.2
224.09456	2.6
225.10321	5.5
225.13837	4.9
226.10970	2.0
227.08153	3.1
227.11768	1.8
235.08603	1.3
237.06566	1.0
237.10167	3.4
238.11035	3.6
239.08122	2.5
239.11801	6.2
240.12582	2.3
241.09674	3.0
241.13368	2.7
249.16408	0.9
251.08066	1.0
251.11819	3.4
252.12627	1.8
253.09792	3.0
253.13373	30.3
255.11465	1.1
265.13339	1.6
267.07602	1.3
281.09320	2.2
300.11273	0.9
301.12021	0.9
304.10837	0.9
309.08630	1.0
311.14221	0.8
313.11661	4.3
314.12839	2.5
315.13492	1.6
316.10776	1.3
316.14331	1.8
327.09967	0.9
328.10760	1.2
328.14352	1.2
330.12354	1.9
330.16104	0.9
341.11682	1.7
342.12427	1.6
344.13861	1.2
346.15311	1.2
355.14267	1.2
356.14063	1.7
360.13239	1.2
360.55539	0.8
368.09805	1.0
372.13190	1.3
372.16980	2.5
373.14218	1.1
374.15057	6.5
388.16623	4.5
389.17444	7.5
393.13583	1.7
394.14355	0.9
395.15317	1.3
400.16766	6.2
401.14227	1.0
404.14737	1.4
404.19775	19.7
407.15454	1.3
409.16800	2.0
416.16025	1.5
419.15012	1.3
420.11990	0.9
421.12930	3.0
422.13553	1.9
423.18356	1.1
432.19299	9.1
435.14270	2.3
436.15051	1.9
437.15875	3.1
445.16882	1.3
449.15295	1.9
451.17606	5.8
452.18585	1.3
460.18915	5.2
465.23636	1.5
466.20145	1.7
467.21152	4.3
475.21146	2.5
477.15033	1.4
481.22205	2.9
488.18643	1.4
489.19080	1.8
490.19916	1.3
491.20306	1.6
492.21417	35.9
493.19080	2.8
493.21896	3.2
495.20334	1.4
503.20807	4.6
504.19733	1.3
505.22357	1.0
506.20538	1.1
507.20428	6.6
509.18347	1.4
511.19760	3.0
519.16180	2.0
521.21936	6.4
522.22784	1.3
525.21594	2.1
531.20209	3.4
539.23035	6.5
549.21277	9.1
550.20746	1.2
553.24548	5.2
554.25134	1.9
559.19080	0.9
563.22418	2.9
581.23969	15.1
591.22443	3.5
595.25879	1.0
609.23370	2.3
613.26617	43.1
614.26648	2.6
619.25049	2.9
623.25195	7.5
624.24414	1.2
637.46277	1.3
641.26111	100.0
642.26416	4.3
655.27173	3.3
655.47394	4.0
673.29071	15.1
673.47516	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	672.526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.2
57.07080	34.2
59.04997	0.9
59.17992	0.6
62.58173	0.5
65.92964	0.8
66.05897	0.6
69.07066	3.0
71.08638	30.3
73.06564	9.5
83.08633	4.7
85.10193	18.6
87.04485	8.4
89.06038	100.0
91.07585	1.2
97.10177	5.7
98.21554	1.2
99.11742	2.5
107.07104	1.3
111.11735	2.8
113.13310	1.9
117.09124	7.7
125.13294	1.9
127.14884	1.3
130.08669	1.1
131.07030	2.4
133.08617	51.6
141.16400	1.5
161.11803	2.5
175.09686	1.6
177.11247	21.4
191.06967	0.7
197.22704	2.7
201.43010	0.6
221.13776	4.6
241.25294	2.6
265.16443	1.9
285.27899	6.0
309.19022	0.7
329.30508	3.8
459.28159	2.0
476.07779	0.9
655.49518	3.3
672.52734	1.7
673.26410	2.8
681.54352	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00220	0.7
55.05512	1.8
57.07080	28.2
59.05004	10.4
67.05511	1.6
69.07071	3.9
70.06584	1.6
71.08638	27.8
73.06559	8.3
81.07053	1.4
83.08620	2.5
85.10193	16.4
87.04470	14.7
89.06038	47.6
92.56541	0.7
92.81001	0.6
95.08634	1.3
97.10170	3.7
98.20705	1.6
98.58729	0.7
99.11720	2.3
99.84935	0.7
103.03950	100.0
103.07584	6.5
107.07012	0.7
111.11742	2.5
113.05997	1.1
113.13304	2.9
117.09138	7.5
119.07051	1.4
121.08659	2.1
124.83306	0.7
125.13318	0.9
127.14788	1.2
131.07060	3.7
133.08617	16.2
147.06525	11.3
147.10184	2.4
161.11726	1.6
163.09680	2.2
174.91251	0.6
175.09686	1.9
177.11229	7.9
183.21109	2.0
191.09192	4.5
194.02074	0.7
207.12329	2.6
221.13800	1.5
227.23692	3.3
235.11818	6.0
235.15016	0.8
251.15030	1.0
271.26321	6.8
279.14426	1.4
303.52219	0.7
315.29089	3.7
323.16980	0.8
498.25488	0.9
526.24731	1.1
531.39844	1.0
541.27899	0.9
612.28345	0.8
615.43524	0.8
629.30548	0.7
640.28534	0.9
655.46179	1.8
672.31195	16.6
672.49237	1.9
673.31232	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	4.9
57.03443	4.0
57.07083	37.0
58.38734	0.7
61.02934	12.5
67.05187	0.8
67.05509	9.3
69.03427	1.8
69.07072	7.1
71.08246	1.6
71.08640	31.2
73.02927	4.0
75.04471	2.2
79.05486	1.1
81.03412	0.8
81.07065	12.1
83.08630	10.4
85.02917	11.6
85.10196	18.1
89.06056	1.4
91.03419	0.9
91.03966	10.9
95.08617	22.7
95.22939	0.6
97.02912	6.1
97.10188	5.1
99.11729	1.0
109.10164	9.7
111.11717	2.0
115.03975	0.8
123.11727	5.6
125.13231	0.9
125.82618	0.8
127.03912	5.6
135.03674	0.6
137.13229	2.3
140.28636	0.7
145.04980	6.0
148.07544	2.0
151.14828	0.8
163.06038	8.3
176.07141	1.1
221.22801	1.2
239.23718	23.1
257.24841	5.3
313.27396	100.0
314.27707	2.0
331.28427	23.5
357.09427	0.8
475.32623	2.6
482.08963	0.7
644.91992	0.7
667.53845	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.417
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80242	0.4
53.03915	0.4
55.05513	4.3
57.03440	4.5
57.07079	39.3
59.05008	0.5
61.01695	0.4
61.02932	14.8
64.48763	0.4
67.05506	10.1
67.70799	0.4
69.03425	2.3
69.07075	6.4
70.11315	0.9
70.11705	0.9
71.08635	30.3
73.02919	5.7
75.04478	1.6
79.05511	0.9
81.03417	1.1
81.06590	0.8
81.07061	14.4
83.01331	0.5
83.08159	0.7
83.08627	10.5
85.02907	16.8
85.06539	0.5
85.10188	18.3
89.06035	1.1
91.03961	13.3
93.07032	1.0
95.08611	22.2
97.02895	8.4
97.10176	5.5
99.04447	0.9
99.11720	1.4
103.07582	1.0
107.08640	0.8
109.10161	10.7
111.11736	1.0
113.13222	0.4
115.03949	0.7
117.09149	0.6
117.19573	0.5
119.08545	0.6
123.11700	4.6
125.13251	0.8
127.03922	5.0
137.13237	2.0
139.14771	0.5
145.04971	7.3
145.10197	0.7
151.14842	0.9
163.06027	10.0
163.07376	0.5
165.16396	0.8
221.22617	1.1
225.17033	0.5
239.23700	24.8
239.40965	0.4
254.13567	0.5
257.24750	4.7
313.27374	100.0
314.27759	1.2
331.28427	32.8
401.28958	0.8
439.31448	0.5
475.32608	0.7
620.65076	0.5
641.25079	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74508	0.2
67.05500	0.5
70.06603	0.3
71.50824	0.4
72.08160	0.4
75.94663	0.2
81.07082	0.4
84.08157	0.3
91.05479	0.4
107.08627	0.3
119.08569	0.4
133.03391	0.3
136.06169	0.3
175.11044	0.3
185.04237	0.6
203.05229	0.4
215.44740	0.3
216.12352	0.7
259.07990	0.6
273.17102	0.4
347.09598	1.8
365.10364	0.3
421.13049	0.4
509.27246	15.1
621.24066	0.4
635.01727	0.3
671.32507	100.0
672.32819	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	671.4863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.6
59.04997	3.7
64.13092	0.7
67.05519	3.7
69.07076	2.2
69.20719	4.4
69.21143	3.3
71.08620	1.2
79.05491	2.0
81.07059	3.2
83.08633	1.4
91.05477	1.9
93.07043	2.9
95.08624	3.9
99.08119	0.9
105.07062	1.5
107.08604	1.3
109.06554	1.2
109.10151	2.0
119.08555	1.0
121.10149	1.0
131.08588	1.0
133.10173	1.2
137.17491	0.8
152.64496	0.7
165.12802	2.2
165.95012	0.7
261.22092	0.8
289.21753	2.4
291.23239	2.2
296.74033	0.9
315.94894	0.8
335.21899	10.2
337.27426	1.4
391.24771	2.5
391.72672	0.8
573.48083	0.9
671.48608	100.0
672.48877	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	671.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03669	2.3
55.05493	3.2
59.04990	7.0
67.05508	4.9
67.69772	2.0
70.90459	4.5
73.60295	2.4
79.05491	2.5
81.07049	3.4
93.07010	2.3
93.81832	2.1
105.40966	2.4
132.08089	3.0
154.83069	2.0
174.09131	2.3
181.80492	2.3
221.10577	2.2
223.12221	3.0
234.11420	3.3
236.13051	2.8
273.41040	2.3
276.14932	4.4
304.14539	3.0
318.15982	3.6
328.17761	3.0
340.17899	3.0
353.17822	4.5
357.78220	2.8
366.18588	4.2
367.19128	3.1
379.15457	3.2
381.16837	4.9
381.21277	3.2
382.17941	7.5
383.18024	2.4
383.22403	4.5
394.17548	4.2
395.18503	7.0
396.19427	4.0
397.20435	3.8
403.39212	2.2
407.23007	2.7
409.20175	9.0
410.20975	17.6
411.21820	28.7
412.22241	2.4
421.20197	3.5
423.21771	7.2
433.20148	3.3
435.18042	2.6
437.18954	4.0
437.24045	4.1
439.21603	2.6
447.21930	7.5
448.22101	2.7
449.19516	2.8
451.21503	3.7
453.22626	4.7
461.48456	2.4
465.23160	5.4
466.23648	3.5
467.20337	3.6
468.21561	3.4
469.21915	4.4
479.24622	3.7
480.25092	6.7
481.22110	5.2
482.23129	3.5
483.23724	5.4
496.24524	11.5
497.25562	20.0
498.26306	71.2
499.26761	2.8
507.23883	4.3
509.21582	4.4
511.26956	5.7
512.27576	2.9
524.24506	10.7
525.24774	16.6
526.24805	2.5
539.26501	12.0
540.27429	47.5
553.24225	3.8
567.25836	34.9
568.26550	3.9
583.28339	3.2
584.26324	21.4
585.27100	44.2
591.25787	4.0
599.28802	36.4
609.27020	6.9
627.28204	100.0
628.28082	3.6
671.28217	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	671.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44839	1.1
67.05508	2.4
69.33260	7.2
69.33665	3.0
83.13883	1.1
93.07054	1.6
95.08629	1.6
98.20791	2.5
102.29604	1.1
109.97166	1.1
118.06556	1.6
120.08141	1.6
130.06570	1.5
132.08104	1.6
145.07700	1.4
168.82962	1.3
187.50471	1.3
199.08585	1.4
209.10768	1.7
211.12466	1.5
213.06512	1.5
215.11841	2.0
221.10744	1.9
223.12436	1.6
228.09058	1.5
233.10744	2.0
235.08803	1.7
235.12415	3.7
237.10320	3.8
237.14014	1.6
243.11327	8.8
244.05971	1.6
248.09520	1.4
249.10350	3.3
251.11859	1.7
261.10284	1.7
263.11896	5.2
275.11792	3.6
277.13626	1.4
278.12939	1.6
288.11768	1.9
289.13535	2.3
290.14014	2.0
291.11407	1.9
300.15213	1.3
302.13242	1.9
303.14761	1.5
304.14404	2.2
305.12799	2.1
306.13797	2.5
307.14590	2.2
312.11560	1.9
314.13239	2.1
316.14639	2.3
318.12524	2.5
320.14096	1.8
321.16107	3.0
330.16226	1.3
332.14063	2.9
333.14792	5.1
336.17188	1.5
337.15515	2.3
346.15982	1.2
349.15439	1.4
352.17444	1.5
363.15942	1.5
365.18042	1.7
367.19431	1.8
379.15747	3.3
379.19965	2.1
381.16718	1.4
381.21103	1.8
389.18121	1.7
392.16473	1.9
393.17297	3.7
395.18954	2.8
397.17334	2.7
401.17773	1.4
403.19904	1.7
404.16873	1.8
405.17087	3.4
407.18970	2.7
408.19351	1.4
409.20505	3.3
410.21384	1.5
416.16318	2.1
417.17050	3.5
418.17947	1.9
419.18826	4.3
421.20316	4.6
422.21246	2.3
423.18170	3.5
431.19098	2.8
435.18283	5.1
436.19437	3.9
437.19571	14.6
438.20682	5.0
445.20444	1.7
447.17642	1.8
448.18912	2.7
449.19672	8.5
450.20642	5.5
451.21515	5.5
453.23001	6.3
454.23221	1.3
462.20557	1.6
463.21347	5.4
464.22272	5.2
465.22955	3.6
468.17993	6.2
469.26324	1.9
475.21359	12.3
476.22211	1.3
477.19482	3.9
478.20175	3.8
479.21021	3.8
481.22531	3.9
490.19983	2.5
491.20834	10.0
492.21341	4.2
493.22519	3.9
495.24133	2.7
496.24405	1.4
497.25400	3.5
498.26431	2.6
502.24326	1.3
503.20303	2.3
505.22836	1.7
507.20587	6.0
508.25394	2.9
509.21313	9.2
510.22739	3.7
512.28015	2.2
519.20355	2.9
521.21893	3.5
522.22644	25.7
523.23383	14.4
524.24225	22.6
525.24982	9.9
533.22058	2.7
534.22345	1.6
535.23578	5.7
536.24481	2.1
539.26599	3.5
540.27228	10.2
545.25732	2.9
549.25201	1.5
551.22876	39.5
552.24164	7.3
567.25732	8.1
579.22473	5.3
584.26294	3.6
589.24683	3.9
594.24359	1.6
595.25397	7.0
597.23596	5.4
599.28571	2.1
607.24609	1.9
609.27655	5.9
611.25018	100.0
612.25421	4.4
621.24860	2.2
627.28174	32.5
639.24463	81.8
640.25549	3.2
671.30774	86.2
672.31116	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	671.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28440	0.7
55.05512	1.0
57.03439	0.8
57.07084	3.7
57.74625	0.8
59.05004	8.6
60.93328	0.7
61.82114	0.7
62.08118	0.8
67.05508	2.6
67.82166	0.6
69.07065	1.6
71.08640	3.9
71.51115	1.0
73.06567	1.0
79.05486	1.7
81.07064	3.0
83.04984	0.7
85.10187	2.2
87.04477	1.7
89.06040	11.0
91.05496	1.4
93.07050	2.1
95.04976	1.2
95.08599	1.4
97.10146	1.1
98.15829	0.7
105.07052	1.1
107.08583	1.0
116.34595	0.7
117.09142	2.8
121.06544	0.7
121.10168	0.8
131.07085	0.9
133.08607	7.2
133.10156	1.3
177.11272	1.7
221.10835	1.2
223.12436	2.2
225.13948	1.2
235.12506	1.3
237.13879	2.4
238.14694	1.6
248.13190	0.8
249.10309	0.9
249.13988	1.4
250.14766	1.2
251.11882	0.7
251.15553	1.6
253.17155	0.9
261.13968	1.0
263.11768	0.9
308.37149	0.8
331.13260	0.8
352.17661	1.1
364.17709	0.8
365.17975	1.7
366.19525	1.2
377.18454	0.8
378.19376	1.1
379.19461	2.2
380.20163	1.0
381.20987	2.8
391.15598	1.1
393.21201	1.4
395.22455	1.6
405.17105	0.9
407.18710	1.6
408.19934	1.0
409.20389	1.5
417.16833	1.2
420.20822	1.0
421.20654	3.7
422.21231	0.9
423.22495	1.9
425.20099	0.9
435.22162	1.5
436.22754	1.2
437.23434	3.0
439.21429	2.4
439.43549	0.8
447.22354	3.5
453.23636	3.8
454.23822	3.0
463.21414	1.4
464.22430	0.8
465.23016	2.6
467.21606	0.9
475.22018	1.2
480.21692	2.3
481.22156	3.0
482.23395	7.3
491.20929	1.8
492.21664	0.9
503.20413	1.1
509.22058	3.9
509.50494	0.8
510.22824	1.7
519.20020	1.3
523.23846	1.1
524.24426	1.0
533.22040	1.0
537.21490	1.4
541.24554	1.4
551.23126	3.4
565.23969	1.4
569.24048	19.4
579.22821	1.9
593.24023	1.3
597.23474	11.7
611.24872	1.0
612.25732	2.4
621.23468	4.2
627.27917	1.2
639.26221	3.7
653.28113	4.7
671.27185	100.0
672.27643	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	671.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.0
57.07078	1.1
57.14598	0.7
59.05007	9.1
67.05523	0.8
69.07080	0.8
70.03357	0.6
71.04985	0.9
71.55250	0.7
75.04651	0.7
81.07054	1.6
87.04475	1.9
89.06067	1.6
91.55093	0.7
95.08636	1.3
105.07047	0.8
117.09136	1.8
132.11790	0.7
133.10199	1.1
136.60878	0.6
169.52673	0.8
171.76939	0.9
254.13840	0.7
295.12064	0.8
385.15311	1.2
386.16202	1.3
397.14801	0.9
398.15259	1.2
399.16144	2.1
400.17181	1.2
411.16306	2.4
412.16989	2.0
413.17606	4.7
414.18472	2.3
415.19693	1.4
426.18573	1.0
427.19717	4.0
428.20441	1.8
433.12366	1.3
434.13055	2.4
435.13824	1.3
439.15616	1.2
440.16879	1.3
441.16241	1.1
441.21494	1.7
443.18503	1.1
447.13757	1.3
448.14828	2.6
449.15372	3.1
455.18588	2.6
456.19366	1.0
462.16574	1.3
463.12592	1.9
463.18036	1.3
469.20441	1.2
470.21323	1.4
471.22067	1.1
476.14142	1.1
477.14844	2.4
478.15356	3.8
479.16461	1.6
483.17514	1.3
485.19739	1.2
491.16339	2.7
492.17392	1.8
497.20059	2.6
498.20752	1.6
505.18451	3.6
506.18756	2.3
507.15738	3.4
518.14661	1.2
519.15802	3.5
520.16479	3.7
524.15881	1.3
525.18500	1.1
529.22577	1.7
530.22980	1.1
533.17419	4.3
534.17126	1.5
548.16260	0.9
551.18420	1.7
557.21948	2.0
561.17047	1.7
565.19904	5.9
575.22980	1.0
577.20349	1.1
578.17456	1.2
585.21594	1.0
586.22632	1.5
593.19525	60.9
594.19733	1.9
621.19153	13.7
653.21661	100.0
654.22333	4.1
671.22369	1.6
671.48877	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	671.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.3
57.07061	3.6
59.04987	5.8
67.05494	8.7
67.84853	2.0
68.05698	2.0
69.07076	3.5
70.06586	3.3
71.08630	2.2
71.50882	3.8
74.09683	3.2
79.05473	2.2
81.07055	6.6
83.04980	2.5
83.08599	3.3
89.06039	3.3
90.20940	1.9
91.05449	3.6
92.05782	2.6
93.07071	4.6
95.08604	3.9
105.07012	2.5
107.08590	5.5
109.10152	2.4
119.08572	2.3
121.10128	3.1
132.77682	2.2
133.43086	2.3
172.06087	2.7
175.01608	3.9
200.03053	2.1
225.46210	1.9
279.57397	2.1
296.06323	2.1
375.16351	2.3
377.17828	2.9
385.15582	2.4
389.17538	6.9
390.18405	3.2
391.19336	12.5
398.15375	3.6
399.16037	6.4
401.17725	4.2
403.19528	3.7
404.19916	3.2
405.20898	14.1
406.21402	5.6
411.16064	4.3
412.16733	7.1
413.17502	9.4
415.19263	3.8
417.16446	2.7
417.21234	2.4
419.18250	2.4
420.23157	3.9
421.23593	5.1
425.17694	3.8
426.18442	7.8
427.19699	18.6
428.20303	9.8
429.16678	2.8
431.18622	4.5
432.18945	2.7
433.19708	2.5
441.21524	13.2
442.21323	7.6
444.19153	3.5
445.20331	4.6
447.22079	3.2
454.17709	3.3
455.18832	5.6
456.19403	7.8
457.16174	2.7
460.18094	2.4
461.19138	2.8
462.20294	4.1
463.21002	4.3
464.22470	2.5
465.22836	7.6
469.20190	9.4
470.20892	8.8
471.18265	6.3
472.18439	3.0
473.19611	9.3
474.20465	3.7
475.21442	4.8
479.24310	19.3
482.17487	3.8
483.17780	3.7
484.19135	6.0
485.19681	4.0
487.21341	6.3
497.19894	19.9
498.21268	12.0
507.27563	7.7
515.20819	4.1
517.22339	3.4
525.19135	6.2
529.22791	9.7
529.29059	2.2
535.26947	7.9
537.24854	3.8
541.22046	3.5
549.24951	10.8
551.26508	11.6
557.21899	100.0
558.22272	5.5
563.26514	9.6
565.19696	7.1
565.28064	11.4
566.28979	15.3
567.29999	27.6
585.21442	27.7
593.19507	31.8
595.29230	52.9
617.23926	53.0
621.18774	9.7
625.22131	3.7
635.24695	7.5
637.30011	6.2
638.30304	3.5
653.21594	83.0
671.20892	10.6
671.30792	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	669.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03953	0.4
67.05507	0.5
69.74859	1.9
70.06603	1.9
72.08157	0.7
79.05493	0.6
79.28506	0.3
81.03399	0.4
81.07042	0.9
83.04983	0.4
84.04555	0.5
84.08143	0.8
85.02934	0.4
86.09698	0.9
93.07056	0.7
95.08593	0.4
105.07018	1.0
107.08655	0.5
109.10175	0.8
113.02123	0.5
114.05537	0.4
119.08591	0.5
121.10152	0.5
123.11743	0.4
129.10275	0.5
152.68233	0.4
185.04240	0.6
201.03685	0.6
203.05251	0.8
209.68607	0.4
252.97435	0.4
280.53543	0.5
328.26379	0.4
367.18219	0.8
459.61182	0.4
489.28207	11.4
491.29819	28.8
492.30289	1.3
507.29532	0.4
517.88672	0.4
655.55835	0.4
669.34589	100.0
670.34448	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	669.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06590	1.4
71.29902	0.6
72.08147	0.7
81.07061	0.9
84.04519	0.4
84.08144	0.9
84.77345	0.3
86.09700	0.9
91.05444	0.3
95.01074	0.4
99.69807	0.3
99.92007	0.3
100.84316	0.3
105.07050	0.4
107.08574	0.4
109.71745	0.3
113.02187	0.3
120.08140	0.3
123.08203	0.3
157.04765	0.3
180.66446	0.3
185.04286	1.3
201.03722	1.0
203.05351	1.4
286.04929	0.4
301.07336	0.7
339.17892	0.4
353.15735	25.0
354.16034	0.6
489.28250	5.9
491.22580	0.6
491.29849	16.4
669.34607	100.0
670.34912	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	669.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07725	0.4
69.55303	2.8
70.06620	2.4
72.08167	0.7
73.33015	0.4
74.93648	0.3
81.07055	0.5
83.01086	0.5
84.08152	1.4
85.02898	0.5
86.09715	0.6
91.05466	0.5
93.07059	0.5
93.50035	0.4
95.01105	0.5
96.01871	0.5
98.20776	0.6
105.07064	0.5
112.08755	0.4
113.02130	1.1
126.02865	0.5
129.10193	0.7
132.66992	0.4
141.01559	0.4
185.04276	1.8
201.03801	1.2
203.05304	1.6
270.10645	0.5
314.75797	0.5
357.94778	0.5
378.42697	0.5
391.58813	0.4
489.28220	4.5
491.29803	14.8
507.28690	0.6
669.34595	100.0
670.34760	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	669.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	2.7
58.32951	0.7
60.01843	0.8
63.80146	0.8
65.43554	0.8
67.05497	0.8
69.07073	1.0
71.50852	1.2
73.26570	0.7
79.05513	0.7
81.07063	2.5
84.96046	0.7
85.64559	0.7
91.05499	1.3
93.07056	1.1
94.82153	0.6
95.08617	2.9
98.97594	2.9
105.07061	1.4
107.08599	1.8
109.10170	2.0
110.10493	0.8
110.97588	1.1
116.98656	0.8
119.08595	1.7
121.10142	1.2
131.08586	0.8
133.10271	0.9
135.11703	0.8
145.10153	1.2
159.11728	1.1
173.13350	1.2
219.01866	2.2
237.02930	1.4
327.20074	2.6
398.79807	0.7
489.25278	8.3
491.27463	1.7
669.32526	100.0
670.32770	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	669.2924
Annotation	Swietephragmin D
Peak:m/z	Relative Intensity
53.34849	2.2
57.07077	2.7
57.93063	1.9
59.04993	10.1
60.65303	2.2
61.34125	2.0
67.05498	5.4
71.08631	4.5
71.50850	2.6
71.51318	3.0
72.08139	3.7
75.02560	2.3
79.05489	2.8
81.07034	7.6
83.10324	2.2
89.06047	3.6
91.05455	3.6
93.07053	5.0
95.04959	3.6
95.08607	4.3
103.04020	2.2
105.07044	2.5
109.10226	2.3
117.09148	3.2
119.08532	2.6
120.08125	2.7
131.08545	2.9
134.93292	2.0
135.08188	2.3
135.59627	2.2
146.06032	2.5
147.11603	3.2
161.13306	2.3
171.09152	2.0
182.09715	2.9
195.09193	3.6
197.10712	5.3
207.09195	7.2
208.09921	5.1
209.10730	5.8
210.04333	2.1
210.11449	5.4
211.12317	6.6
221.10764	9.0
222.11444	4.7
223.12364	5.3
224.13074	8.5
225.10222	5.3
225.13857	16.9
226.14598	18.2
227.11697	2.7
230.99031	2.2
232.09946	24.0
235.08693	8.6
235.12306	4.3
236.09375	3.3
237.10300	4.8
237.13852	9.7
238.12170	4.5
239.11925	3.2
241.09630	2.8
241.13332	3.0
247.12308	28.0
248.13177	2.6
249.10158	3.3
249.13885	5.9
250.11044	3.2
251.11958	2.7
253.13405	4.5
255.11346	10.9
257.09253	3.4
265.13406	4.4
265.16962	3.6
267.11926	3.1
267.14923	14.7
269.12827	8.9
270.13605	4.9
271.10754	21.0
275.11777	6.0
276.16037	2.6
283.14462	20.3
285.12430	6.7
285.15970	2.8
293.12869	52.1
301.15488	8.3
311.13889	4.4
435.21976	4.3
447.17938	3.0
458.16916	2.6
463.20953	6.1
477.54074	2.7
491.20865	3.9
523.27435	3.1
531.20148	4.1
549.24890	4.5
577.24469	10.3
582.25800	7.4
587.23138	4.7
605.23834	31.9
609.26990	18.1
610.27002	2.7
637.26587	100.0
639.24030	3.5
641.29089	2.7
651.27814	4.7
654.26416	6.9
664.94006	2.4
669.29248	67.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2922
Annotation	Agrimol G
Peak:m/z	Relative Intensity
56.30667	0.7
57.03439	0.7
59.05010	1.9
60.56766	0.8
67.05506	1.4
69.51192	4.9
72.08173	1.1
81.07066	0.7
89.06051	0.9
91.05489	0.9
94.06647	0.7
95.08605	1.1
98.21558	1.0
104.16077	0.7
105.07040	0.9
109.10194	1.0
113.06788	0.8
117.27116	0.8
121.52639	0.7
158.09700	1.0
195.09297	0.9
197.10725	1.2
209.10803	2.7
210.11621	2.7
211.12427	2.1
221.10788	1.3
223.12393	3.2
223.95450	0.7
224.13124	3.2
225.10374	1.1
225.13928	8.3
226.14674	3.5
233.10724	0.9
235.12422	1.7
237.13942	3.0
238.14792	2.0
239.11826	0.7
239.15546	2.5
247.12395	2.5
249.14014	3.1
251.08351	0.9
251.11887	0.9
253.13361	1.9
260.13132	0.9
261.13971	1.8
262.14725	1.0
263.15344	0.9
265.13489	2.2
267.14999	5.0
269.12936	1.1
270.13931	0.8
275.15518	3.3
276.16342	2.3
277.17102	1.1
293.12952	1.7
303.14914	2.7
365.18948	0.9
377.17749	1.5
391.19455	1.5
393.21021	1.7
407.22525	1.9
419.14706	1.2
419.19482	1.1
421.20206	2.4
431.18988	0.9
433.15771	1.3
433.20718	2.1
435.22034	4.0
436.22696	1.9
442.18271	1.0
445.20795	1.2
447.18103	2.4
448.18930	2.8
449.23584	2.7
450.23788	0.9
461.19916	3.2
462.20526	1.5
463.20984	8.9
473.23941	1.1
475.21741	1.5
476.22125	2.3
491.21133	3.2
493.22360	1.4
495.24210	3.3
504.22327	0.9
507.25021	1.8
508.24142	0.8
521.25226	1.4
522.26752	1.6
523.27258	14.2
531.24396	1.0
534.23285	0.9
535.23792	2.5
549.25177	8.0
550.26434	3.8
551.26416	1.5
563.22327	1.3
564.27258	1.3
565.28271	1.4
567.25775	2.5
577.24469	5.3
578.25006	0.9
581.27496	2.3
582.28473	16.0
591.26019	2.1
605.24042	5.6
609.27069	21.1
610.27710	1.5
627.28094	1.0
637.26532	43.1
638.26752	2.3
651.28259	2.7
652.26752	0.9
669.29242	100.0
670.29462	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	669.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
66.05349	0.5
70.56711	1.3
70.57076	1.5
79.05513	1.4
86.39357	0.5
91.05450	0.6
93.07001	0.6
94.23250	0.5
118.06509	0.6
120.08147	0.7
144.08131	0.7
187.07309	0.6
195.09087	0.6
207.09242	0.9
209.10732	1.2
210.11514	1.4
221.10742	1.2
222.11757	0.9
223.08673	0.9
223.12367	1.7
225.13899	1.8
235.08687	0.7
235.12349	1.4
237.13914	1.8
249.10280	1.5
249.13937	0.7
263.08069	0.9
275.08179	0.9
275.20181	0.7
277.09824	1.3
325.12228	0.8
326.13007	1.5
338.13000	0.8
340.14462	0.9
366.12405	0.9
368.14233	0.8
399.16159	1.3
401.17542	1.0
405.16843	0.9
407.22440	0.9
413.17978	1.1
414.18701	1.4
415.19482	1.2
427.15662	2.8
428.16028	0.9
429.20813	2.2
441.16937	4.1
442.18094	1.7
443.18527	1.1
455.14459	1.2
456.20065	0.9
457.20694	2.9
459.18222	0.9
467.18823	0.8
469.16809	2.7
470.17191	2.8
471.22433	1.3
472.22534	1.7
474.20703	0.9
475.21396	1.5
483.13882	0.9
484.19089	1.1
485.20081	3.1
489.22678	2.7
491.20782	1.7
497.15341	1.2
498.16589	1.2
499.21384	11.3
500.22223	5.2
501.19220	1.8
502.19998	0.7
503.20834	2.3
504.21991	0.9
511.21240	1.8
512.18506	2.1
513.19507	2.2
515.20618	1.0
517.22534	7.6
518.23218	1.4
527.20868	18.9
528.21411	4.0
529.19238	0.8
531.23560	0.8
533.22400	0.9
543.23932	15.2
544.23279	0.7
545.21838	2.8
549.25574	0.8
555.20465	1.9
559.23541	4.3
563.23004	1.4
569.22119	0.8
587.22955	100.0
588.23438	5.1
605.23737	2.1
619.25580	53.7
620.25604	3.4
637.26636	15.5
669.30078	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10784	0.6
55.05496	0.9
59.05000	2.8
67.05497	1.2
69.31310	5.6
79.05495	1.1
81.07063	1.3
95.04990	0.9
95.08604	0.9
96.42641	0.6
105.07059	0.8
117.09095	0.7
119.08602	0.8
221.10808	0.9
223.12309	0.7
224.13107	0.8
232.09833	0.8
237.13954	1.0
241.09712	0.6
243.97334	0.6
248.13139	0.7
249.14001	1.1
259.12308	0.8
269.67685	0.6
271.10904	2.9
283.14258	0.8
303.14377	0.7
342.56653	0.7
375.16422	1.4
376.17395	0.7
377.18060	1.1
387.16177	1.6
388.17136	1.9
389.17999	1.0
391.19348	1.9
400.17709	0.6
401.17874	2.5
402.18866	1.5
403.19156	2.3
404.15936	1.3
404.20712	1.1
405.16364	0.8
405.20911	2.4
413.17694	1.6
415.19455	2.1
416.20367	1.3
417.21396	1.3
418.17874	1.3
419.17776	3.2
419.23160	1.5
421.20621	0.9
428.20416	1.0
429.17236	2.5
429.21655	1.3
430.17798	3.7
431.18091	3.4
433.20419	2.9
434.21356	2.0
436.22830	1.0
443.18738	2.4
444.19693	4.2
445.20236	14.3
446.21051	2.7
447.17337	5.8
448.22479	1.9
449.23883	0.9
451.21585	0.9
457.16330	1.7
457.24438	1.1
458.21262	1.9
459.22162	12.6
460.22775	20.5
461.19238	1.9
461.24164	1.7
462.20541	3.8
465.23434	0.8
469.16919	1.2
471.17307	1.0
471.22559	1.3
472.22577	3.7
473.24118	8.5
474.25259	11.0
475.21777	4.7
476.22156	5.2
477.23355	1.0
478.19797	0.8
483.18259	0.9
485.19815	2.4
486.20633	2.9
487.21490	3.4
488.22189	5.7
489.23087	4.6
490.19641	3.1
491.21039	1.1
493.22043	0.8
499.21719	6.0
500.22580	4.9
501.23325	11.6
502.19016	2.0
502.24518	1.6
503.21320	3.8
504.21716	2.5
505.26697	0.7
506.23651	0.9
507.23993	3.7
509.25467	1.9
513.19293	1.4
514.20081	1.3
515.20746	1.0
516.21893	0.9
517.22498	1.4
518.19232	19.4
519.20404	2.5
521.25726	1.0
527.21161	4.3
528.21771	1.8
529.22534	4.3
531.24109	13.2
532.24438	2.4
533.25684	9.4
534.22314	1.2
535.23584	2.4
543.23566	1.0
545.22247	1.5
549.25244	5.7
550.25452	0.9
559.23480	2.8
561.25012	64.6
562.25403	3.1
563.23096	2.7
577.24469	4.7
578.25311	0.8
581.27777	1.0
587.22815	13.6
590.22040	1.0
593.27716	9.2
593.97638	0.8
594.26764	0.8
605.23987	100.0
606.24133	4.6
609.27130	13.8
610.27631	1.0
619.25586	7.7
620.25354	1.1
637.26630	52.2
638.27069	2.6
649.71680	0.7
669.29242	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	669.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44924	0.6
59.05000	2.5
61.13076	0.7
66.56321	0.7
67.05492	0.7
79.05508	0.7
81.07081	0.8
85.88478	0.6
89.06089	0.8
118.06573	1.2
120.08133	1.2
134.06056	0.7
137.16135	0.6
138.60394	0.8
156.08055	0.8
157.07552	0.7
170.09708	0.8
196.10075	0.9
197.10817	0.8
207.09227	1.6
208.09918	1.0
209.10739	1.4
210.11552	1.7
211.12343	1.0
220.10057	0.9
221.10835	2.2
222.11546	1.5
223.08678	1.3
223.12326	2.7
225.10277	0.6
225.13936	2.4
234.11569	1.0
235.08685	1.2
235.12384	2.0
237.13786	3.1
238.14790	1.5
247.12361	1.1
249.10379	2.2
249.13896	1.2
251.11807	1.0
263.11868	0.8
265.09692	1.2
275.08224	1.1
276.16165	0.7
277.09607	2.0
291.11288	0.8
297.12772	0.9
310.13272	0.8
311.10553	0.9
312.14853	0.8
316.14261	0.8
325.12320	1.2
338.12982	1.0
340.14505	2.0
351.13699	0.8
353.11774	0.9
354.16241	0.8
366.12180	1.1
370.11517	0.8
373.15256	0.8
377.17596	0.8
398.15796	0.9
399.16183	1.1
400.17288	1.0
401.17554	1.1
403.15256	1.1
405.16809	1.1
413.18085	1.1
414.18372	1.0
415.19922	0.9
416.16376	0.9
417.17035	1.5
419.18362	0.7
426.14899	2.0
427.15634	2.8
428.16147	2.0
429.16177	1.0
429.21259	0.9
432.19760	0.9
433.20508	1.6
441.17426	3.4
442.17941	3.5
443.18771	2.5
445.15997	1.3
452.16571	0.8
455.14484	1.4
456.19855	1.2
457.20908	5.5
458.20770	0.7
459.18243	0.8
469.16464	4.5
470.17480	2.6
471.17270	1.1
471.22058	2.3
472.22568	2.3
474.20764	1.6
475.21509	3.7
484.19055	1.2
485.20081	5.3
486.20575	1.0
489.23120	3.9
491.20728	2.1
497.16318	1.8
498.17084	0.9
499.21469	13.9
500.22708	3.6
501.19473	3.0
502.19962	0.9
503.20651	3.7
504.21799	1.7
505.45419	0.8
507.23782	0.9
509.18924	0.7
510.20151	1.4
511.20959	2.3
512.18652	2.6
513.19226	2.1
515.21283	1.2
517.22424	12.6
518.23187	2.0
522.26306	0.8
527.20935	20.2
528.21387	2.4
535.22992	1.1
543.24048	15.7
545.21954	4.4
555.20325	3.6
559.23248	5.9
560.24445	1.0
563.23187	1.0
569.21948	0.8
577.23932	1.7
587.22937	100.0
588.23285	2.9
591.26550	1.1
605.24030	2.4
619.25549	79.1
620.25781	3.7
637.26648	11.2
651.28876	1.3
669.29425	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	669.2924
Annotation	Swietephragmin D
Peak:m/z	Relative Intensity
51.22809	1.1
57.07101	1.8
59.04995	3.3
59.22427	1.4
67.05492	2.8
69.07066	1.5
69.17246	6.4
69.17683	7.1
70.06599	1.9
79.05482	3.3
81.07060	2.8
91.05463	1.5
91.18257	1.3
93.07047	2.9
95.08615	2.0
102.44910	1.4
105.07038	2.0
109.10102	1.8
118.06483	1.7
120.08089	3.4
120.96063	1.4
134.06032	1.4
136.06151	2.2
162.72545	1.4
174.05574	3.9
192.06570	2.8
195.09148	1.9
197.10571	1.4
198.09145	1.3
202.05014	10.9
209.10750	2.0
234.07658	12.8
235.12334	1.6
251.15422	1.3
272.12311	1.3
274.13428	2.8
286.13373	4.7
288.14813	1.8
300.11490	1.5
300.14960	3.0
302.16678	7.4
302.19440	1.7
314.12933	2.8
316.14423	2.0
316.17920	2.4
328.14417	4.4
342.16275	1.9
353.11679	1.6
399.16086	1.8
402.18149	6.0
403.19000	2.8
414.18329	2.5
415.18930	3.8
416.19849	3.8
417.20432	4.3
418.21408	3.0
430.21329	6.1
431.22955	1.6
433.16495	2.0
443.18570	3.3
445.20068	2.3
449.19452	2.3
461.19669	1.8
463.21176	3.6
475.21216	2.1
477.18866	2.6
487.21313	2.3
488.22067	1.8
489.18942	6.8
491.20532	6.4
499.21210	2.5
501.22577	4.5
503.20667	3.7
507.20300	8.7
517.22424	1.6
521.21930	9.5
530.19208	1.7
533.25793	2.6
535.23016	5.3
549.21338	1.8
559.23438	7.2
561.25183	11.2
562.21802	5.6
563.22968	10.6
564.23920	6.4
576.23010	1.7
577.24304	6.1
587.22565	5.2
591.25812	2.8
593.27832	3.8
605.24200	9.0
609.26587	5.8
619.25562	46.6
620.25989	4.8
622.24091	3.3
637.26538	71.9
638.27301	3.0
651.28174	100.0
652.28424	3.0
669.28790	13.7
669.44867	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	668.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
55.05517	13.6
57.03444	8.4
57.07084	12.6
58.59027	1.8
59.05346	1.2
61.02932	25.7
61.25499	1.3
62.88975	1.4
65.03956	2.1
67.05510	59.0
69.03435	4.0
69.07072	19.6
69.47382	1.2
70.06572	1.4
70.40343	4.7
71.04974	1.6
71.08631	4.3
73.02909	9.1
79.05493	17.2
81.03426	3.2
81.07062	75.7
82.19606	1.4
83.04953	2.0
83.08627	13.1
85.02912	31.1
85.06554	4.9
85.10171	2.9
88.49294	1.5
89.06015	1.6
91.03956	24.2
91.05480	16.4
93.07052	19.3
95.06091	5.3
95.08614	59.3
97.02907	16.5
97.06525	5.5
97.10185	5.8
99.04476	1.6
99.08105	6.1
103.03905	1.4
105.07033	11.3
107.08600	12.8
108.02636	1.1
109.06554	1.9
109.10172	21.8
111.08094	2.7
111.11722	2.2
113.09612	7.1
117.07003	1.7
119.08603	14.8
121.07671	8.6
121.10149	15.4
123.08052	3.5
123.11713	12.8
125.09635	1.9
127.03926	10.1
127.11200	5.7
131.08585	2.5
133.10143	24.5
135.11697	18.2
137.09625	3.0
137.13283	13.4
138.10265	8.6
139.11249	1.7
145.04964	9.7
145.10126	2.0
147.11688	11.8
149.13277	4.6
151.07571	2.0
151.11212	2.5
151.14847	15.6
157.10220	1.4
161.13269	14.8
163.06041	17.4
165.12825	2.3
168.87903	1.4
173.13303	1.5
174.79665	1.4
175.14851	8.3
189.16391	3.6
217.19536	80.7
218.19844	2.6
235.20580	100.0
236.20947	2.4
237.22133	1.6
253.21693	2.0
309.24246	46.7
327.25290	11.7
471.29770	6.2
668.47900	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	668.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.9
54.43204	1.3
55.05510	10.8
57.03435	6.8
57.07087	10.8
59.05001	3.0
61.02653	1.9
61.02928	24.8
65.03927	3.0
66.84977	1.3
67.05508	57.7
69.03423	5.0
69.07078	11.9
70.06597	2.1
70.55934	2.6
70.56301	2.4
71.04991	2.7
71.08637	2.5
72.34267	1.2
73.02914	10.1
75.19792	1.2
79.05497	14.7
80.75050	1.3
81.03413	2.2
81.07061	65.9
83.04970	1.9
83.08621	11.0
85.02910	31.0
85.06552	3.2
85.10184	2.3
89.06036	2.1
91.03966	24.7
91.05489	17.9
93.07052	17.1
95.04978	2.8
95.06078	2.3
95.08613	58.1
97.02904	17.3
97.06532	5.7
97.10168	5.9
99.04459	2.2
99.08102	7.3
103.04001	1.9
105.07023	11.3
107.08588	13.5
109.06531	2.3
109.07594	1.4
109.10168	24.2
111.08075	2.6
111.11767	1.9
113.09641	6.7
117.05477	1.3
119.08586	14.0
121.07641	9.2
121.10149	19.3
123.08065	1.4
123.11717	13.7
125.09637	1.7
127.03923	10.3
127.11195	3.9
133.10141	19.1
135.11693	15.3
137.09625	1.5
137.13264	17.4
138.10272	7.2
139.11197	1.9
145.04968	12.9
147.11699	15.9
149.13272	5.1
151.14818	14.4
153.12747	2.9
157.10069	1.6
161.10980	1.4
161.13275	14.0
163.06027	19.5
165.12817	1.6
175.14835	5.1
184.07297	1.8
187.11229	1.3
189.16420	1.9
217.19533	78.3
218.19843	1.5
235.20587	100.0
236.20895	1.6
237.21872	1.5
243.96762	1.3
253.21614	3.9
280.33005	1.3
309.24255	19.1
327.25259	9.4
357.38138	1.3
435.92816	1.5
668.47815	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	667.3301
Annotation	strychnogucine B
Peak:m/z	Relative Intensity
64.55830	0.5
67.05505	0.7
70.06600	3.2
71.49382	0.8
71.49736	0.6
72.08163	1.0
78.16037	0.6
79.05505	0.8
80.41066	0.6
81.07069	1.9
84.08168	1.4
85.02950	0.6
86.09723	0.8
91.05499	0.7
92.05826	0.5
93.07072	1.0
95.01135	1.1
95.08599	1.0
98.97641	0.9
105.07069	1.5
107.08619	1.9
119.08595	0.7
121.10125	0.8
125.09663	0.6
169.57622	0.5
185.04294	1.4
313.29672	0.6
345.78040	0.6
353.14624	0.5
416.12314	0.5
471.26208	0.7
487.26761	13.1
488.26633	1.1
489.28290	26.9
490.28751	0.9
505.28476	0.8
667.33057	100.0
668.33783	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	667.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67676	1.1
56.45548	1.0
59.04997	1.9
64.85295	1.1
67.05512	2.8
70.07809	5.3
70.59976	1.2
72.02007	1.1
75.19553	1.2
79.05503	1.3
81.07058	2.0
82.95676	1.1
91.05509	1.4
93.07063	1.9
95.08620	1.4
97.77398	1.1
98.21573	1.3
107.08575	1.7
121.59745	1.2
122.80018	1.1
130.96346	1.2
192.18329	1.1
195.09283	1.2
223.12416	1.8
233.10950	1.3
249.10220	3.0
261.10376	1.5
312.27087	1.3
340.14618	1.7
354.12329	1.8
375.16278	2.2
376.16971	3.7
377.17682	1.9
381.10895	1.4
385.14227	2.3
388.17215	2.2
389.17886	5.1
390.18478	4.2
391.19302	10.8
392.19589	1.3
401.17850	2.6
403.19409	4.6
405.20801	11.0
406.21652	3.2
407.15897	1.3
410.18677	1.6
412.16489	1.6
417.16513	2.1
417.21194	2.3
419.22870	6.5
420.23068	2.1
428.16058	2.9
429.16534	1.3
431.18558	1.4
433.20038	5.7
434.21002	2.1
435.17731	5.7
436.18936	2.4
440.16422	1.8
441.17371	1.6
443.19318	1.8
445.20819	3.2
447.22183	5.7
449.19699	7.1
450.20413	2.2
458.17679	1.7
459.18033	1.7
461.19171	6.6
463.21768	5.7
464.22092	2.5
465.23148	9.9
472.19241	2.1
473.19830	3.4
477.23450	2.3
479.20227	5.5
487.21347	5.3
489.18875	2.1
491.20419	1.7
493.22256	38.4
494.22714	2.6
501.19281	9.8
505.19620	2.4
506.23367	1.8
507.24316	1.6
515.20911	6.5
516.21558	4.1
517.21692	1.4
519.23633	4.2
521.25482	15.7
529.21912	1.6
533.21954	6.3
537.25128	5.2
547.23419	9.1
548.24573	2.4
551.26971	15.0
552.27429	2.7
561.21490	2.6
565.24487	30.1
575.22968	13.1
576.23505	2.6
579.26141	19.7
580.26819	100.0
581.27142	3.8
589.24567	2.9
607.25494	58.0
608.25842	2.9
617.24384	1.8
635.25018	42.2
636.25818	2.3
639.28052	7.8
649.26642	16.3
659.61877	1.6
667.27716	79.4
668.27673	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	666.5308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.6
55.01867	3.0
55.05275	1.5
55.05518	21.3
57.03440	7.9
57.07088	6.6
63.03630	1.1
64.77133	1.2
65.03942	2.8
67.05510	78.4
69.03431	2.4
69.07075	25.1
69.85281	3.2
69.85679	2.1
71.04984	4.0
71.08650	8.7
79.05501	35.4
81.03402	2.5
81.07067	81.5
83.04995	7.8
83.08626	15.1
85.06530	2.2
91.05486	23.6
93.07050	42.7
95.04974	9.0
95.08614	47.0
97.06532	7.8
97.10178	4.9
99.08080	6.7
105.04523	1.5
105.07040	16.3
107.08602	23.2
109.06545	2.5
109.10160	17.7
111.08081	4.3
117.07048	7.5
119.08566	11.8
121.10156	14.4
123.08018	1.5
123.11713	7.2
125.09631	2.4
130.19922	1.2
131.08571	7.1
133.10144	10.5
135.08072	1.4
135.11710	8.2
137.13208	1.4
139.11195	2.0
143.08604	1.6
145.10133	2.3
147.11737	6.2
149.12263	1.7
149.13260	10.1
151.11179	4.4
153.12814	1.5
157.10129	3.2
159.11685	4.8
161.13319	6.2
163.11162	3.3
163.14789	2.8
165.12837	1.6
172.99913	1.3
175.14856	2.8
177.12764	3.6
189.16359	2.0
191.18449	1.3
195.13852	6.0
207.13834	1.3
227.12813	1.8
229.14320	2.5
251.16483	1.9
259.20529	2.5
263.23706	3.8
269.17493	14.6
277.21649	7.6
335.25583	1.7
337.27396	39.5
351.25232	8.3
369.26596	1.3
491.37286	6.1
497.26492	1.8
498.27972	1.6
531.40503	100.0
532.40771	1.8
553.33734	2.6
554.33960	3.1
610.39612	2.5
613.48206	7.6
631.48877	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	666.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	52.9
57.03431	7.1
57.07077	13.3
67.05180	7.2
67.05511	91.1
69.03413	4.7
69.07076	27.5
71.08638	27.1
71.21822	10.0
79.05512	41.6
81.03393	4.1
81.07063	91.4
82.07394	4.9
83.05005	8.3
83.08643	42.8
85.06544	5.7
91.05483	28.5
93.07043	35.6
95.04962	7.4
95.08625	49.6
97.10177	52.5
99.08096	15.0
105.07028	27.9
107.08624	31.4
109.10162	31.8
111.08225	4.8
117.07005	9.6
119.08570	18.1
119.79809	5.1
121.10170	13.3
123.11697	5.1
125.09653	39.0
131.08597	9.7
133.10152	14.7
135.08069	8.4
135.11687	11.2
143.08635	5.2
147.11678	4.7
149.13255	5.8
151.11159	4.7
151.50609	4.5
161.13269	12.9
171.11716	6.3
179.14383	5.3
189.11214	24.6
227.12814	100.0
263.23773	5.3
277.21613	24.7
291.19562	6.1
337.27344	45.1
341.26956	13.9
349.43164	4.6
351.25406	32.5
435.34534	5.9
496.39560	4.8
507.36844	49.6
515.40997	9.4
613.48212	38.1
667.31134	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	666.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50352	2.2
52.85024	2.1
55.01859	2.4
55.05514	27.8
56.40128	2.1
57.07080	20.5
59.04978	2.9
65.03918	3.1
67.05511	32.6
69.03426	5.6
69.07075	60.9
69.74850	13.6
70.06596	6.7
71.08614	8.6
72.08142	5.1
79.05484	14.9
81.03420	4.6
81.06596	4.9
81.07062	82.1
83.04980	5.8
83.08626	46.6
85.02917	13.4
86.09705	6.9
91.05482	9.5
92.09399	2.2
93.07043	33.0
93.99284	2.2
95.04961	5.5
95.08615	100.0
97.02912	3.3
97.06519	6.6
97.10175	23.6
105.07066	13.3
107.08610	35.5
109.06522	2.9
109.10170	74.2
109.53150	2.3
110.10481	3.6
111.08116	2.3
111.11746	15.9
119.08605	15.8
121.06503	4.8
121.10159	26.9
123.08070	4.9
123.11714	57.1
125.05981	6.4
125.09637	3.7
125.13264	5.5
131.08575	6.1
133.10136	12.7
135.08066	4.9
135.11691	25.7
137.09648	4.5
137.13258	18.6
139.07541	3.5
145.04993	4.5
145.10147	7.4
146.10396	3.1
147.08080	2.8
147.11690	8.9
149.13274	23.6
151.07521	3.1
151.11145	5.6
151.14819	9.0
151.61526	2.3
153.09097	5.5
155.10724	6.5
159.11676	7.2
161.13248	7.8
163.11186	8.2
163.14819	9.3
165.12727	3.6
165.16409	7.5
167.10678	4.1
169.12213	4.0
171.11765	3.0
173.13220	4.6
174.23003	2.6
175.14816	5.2
177.12704	4.1
177.16391	7.1
179.14323	3.9
179.17908	12.8
181.12314	4.9
184.07358	3.9
187.14761	3.4
189.16348	3.5
191.17990	5.4
195.11713	2.4
195.13884	5.5
195.17494	2.7
197.15381	2.7
205.19504	7.4
207.17459	12.6
215.17990	3.9
221.15292	2.8
225.18581	3.4
233.19095	5.6
251.20091	2.6
261.25772	36.1
271.24207	14.5
281.56790	2.8
289.25299	76.1
307.26434	12.4
331.26395	2.7
359.42654	2.4
378.51535	2.7
397.27332	9.4
415.28500	4.5
666.42139	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	666.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.7
55.05513	9.9
57.03439	6.3
57.07076	6.2
59.05006	1.2
61.02930	38.4
65.03938	2.6
67.05507	48.9
69.03418	5.9
69.07085	7.7
71.04980	5.1
71.15133	2.0
73.02914	12.9
79.05497	48.4
79.62069	1.2
81.03390	1.5
81.07062	57.3
83.04991	1.7
83.08620	7.1
85.02910	41.4
85.06528	5.7
91.03421	2.3
91.03963	32.3
91.04915	1.5
91.05484	27.6
93.07047	64.0
95.04954	2.9
95.08614	34.4
97.02903	21.5
97.06522	5.0
97.10159	2.5
99.04450	2.2
99.08106	7.6
105.07032	19.8
107.08594	34.7
109.06437	2.0
109.10155	23.1
111.08044	4.4
113.09626	3.6
114.42937	1.2
115.03938	1.7
117.07026	11.6
119.08582	15.3
121.10149	40.7
123.08039	3.1
123.11709	18.2
124.65318	1.3
125.09615	3.2
125.83944	1.4
127.03926	11.1
131.08566	23.5
133.10126	21.7
135.11696	50.9
135.12729	2.7
137.09604	4.2
137.13228	4.8
143.08583	1.7
145.04962	18.0
145.10126	21.2
147.11705	16.5
149.09599	3.9
149.13261	28.3
151.11171	4.6
159.11699	21.8
161.13211	4.5
163.06027	30.4
163.11179	3.7
163.14899	1.5
165.12720	1.5
173.13277	18.7
175.14851	1.8
177.12718	2.9
187.14789	7.0
189.16351	3.2
205.15863	2.7
205.19553	10.0
215.17964	87.3
216.18326	1.5
233.19019	100.0
235.20621	1.9
251.20151	2.4
294.20114	1.5
307.22687	12.2
314.85989	1.3
325.23740	35.7
469.28247	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	665.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	2.2
52.87263	1.9
53.03939	8.8
55.01870	2.3
55.05515	27.9
57.03420	4.2
57.07062	5.6
57.79209	1.9
59.05006	6.8
65.03932	4.7
67.05508	50.8
69.03429	14.5
69.07073	26.5
70.57664	3.6
70.57998	3.9
71.04996	6.2
71.08649	4.6
71.63062	2.1
75.54114	2.2
79.04770	2.5
79.05498	57.2
80.05817	2.2
80.56136	2.0
81.03424	17.8
81.07061	94.5
83.04978	5.4
83.08639	12.3
85.02913	13.9
85.06555	3.1
85.52960	2.1
91.05486	45.4
93.07051	76.8
95.04980	12.3
95.08616	100.0
97.02901	6.9
97.06544	5.9
97.10175	8.1
99.04447	3.5
99.08050	3.2
103.03919	2.4
103.05464	2.4
105.07045	74.8
107.04961	3.9
107.08607	66.7
109.06521	5.9
109.10168	60.5
111.04471	5.3
111.08092	5.5
111.11730	5.3
115.89490	2.1
116.06296	3.0
117.07049	15.1
119.08589	68.2
121.06551	3.5
121.10159	55.3
121.11031	2.7
123.04485	3.2
123.08096	5.1
123.11709	28.0
125.09659	2.2
125.44754	2.3
127.03922	2.8
128.06200	5.3
129.05502	4.7
129.07018	14.5
130.07817	2.4
131.08577	36.2
133.06534	2.8
133.10144	47.3
133.11104	3.7
135.08090	4.1
135.11705	37.3
137.05986	2.4
137.09647	4.1
137.13257	7.3
141.07018	4.4
142.07811	5.1
143.08572	25.1
144.09363	5.5
145.10132	50.5
147.08023	3.5
147.11699	33.3
149.09636	6.6
149.13263	24.1
151.14932	3.1
155.08583	11.1
156.09415	4.3
157.10133	31.0
158.10963	3.1
159.08087	3.3
159.11700	46.8
161.09637	3.6
161.13242	26.3
163.11186	3.8
163.14874	11.0
167.08568	4.0
168.09337	2.2
169.10158	14.4
171.11713	20.3
173.09647	5.2
173.13269	28.3
173.14691	2.5
175.11293	3.3
175.14839	16.8
177.12778	3.5
177.16434	8.7
181.10190	5.8
182.10956	3.1
183.11690	14.9
184.07466	2.3
185.09641	2.5
185.13263	18.8
186.13937	2.3
187.11314	2.9
187.14847	20.4
189.12741	3.7
189.16393	13.3
191.18007	4.6
195.11740	8.9
197.13324	11.5
199.14809	15.3
201.12743	2.7
201.16476	10.6
203.18019	12.1
207.11830	4.8
209.13335	5.8
211.14853	10.8
213.12775	2.7
213.16367	16.7
215.17914	15.2
215.48193	2.2
215.60762	2.3
217.19508	6.7
221.13370	4.6
223.14819	7.8
225.16409	9.1
227.14484	3.6
227.18034	9.8
229.19595	6.5
231.17502	4.8
231.20943	2.7
233.19086	3.0
237.16396	5.4
239.18092	5.1
241.16017	2.6
241.19579	6.9
243.21104	9.9
245.22737	3.1
249.16443	4.2
251.17955	4.3
253.19551	5.2
255.21140	6.4
257.22745	7.5
265.19357	2.8
267.21136	6.8
269.20035	2.4
269.22574	11.1
270.95413	2.2
271.24216	7.9
281.19058	2.7
281.22552	3.0
283.20786	2.3
283.24332	6.0
293.22620	3.4
299.23691	3.1
313.25473	2.4
325.25470	3.6
361.25330	3.0
379.26147	4.0
503.42645	2.9
568.82458	2.6
611.44305	5.0
613.00171	2.5
622.28571	2.3
629.45380	12.6
647.46686	21.0
665.47742	82.4
666.48309	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	665.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.1
53.96124	1.8
55.01877	4.1
55.05517	24.7
57.03445	4.5
57.07074	5.1
59.05010	5.1
65.03944	3.4
65.31994	2.0
67.05514	59.6
69.03442	19.5
69.07075	22.1
69.71922	9.6
69.72340	3.8
71.05000	4.6
71.08642	2.5
77.03902	2.4
79.05500	52.2
81.03428	17.2
81.07064	100.0
83.04996	7.5
83.08627	12.5
85.02913	10.5
85.06567	2.9
87.04488	2.8
91.05489	48.1
91.06026	3.5
93.07052	82.0
95.04972	10.8
95.08615	91.7
97.02892	4.8
97.06547	5.7
97.10188	7.2
98.10378	1.7
98.21598	2.2
99.04501	3.9
99.08125	3.2
105.07045	69.2
105.39700	2.3
107.05035	3.5
107.08600	72.9
109.02903	5.3
109.06543	7.8
109.10165	65.0
111.04466	8.2
111.08070	3.4
111.11741	3.6
115.03945	2.5
115.05464	2.8
117.07027	14.2
119.08593	79.0
121.06514	5.4
121.10157	56.1
123.08080	5.5
123.11711	22.2
125.06021	3.1
127.03957	5.1
128.06258	6.3
129.05518	3.4
129.06972	11.5
130.07774	3.1
131.08583	34.5
133.10133	45.1
135.08110	4.4
135.11710	33.8
137.09610	2.5
137.13284	4.6
141.07004	4.3
142.07796	4.9
143.08580	23.9
144.09390	2.5
145.06551	2.6
145.10117	46.6
145.11142	3.0
147.08044	5.2
147.11697	42.6
147.12793	2.9
149.09645	4.3
149.13277	26.9
151.07614	2.0
155.08543	9.8
156.09384	6.3
157.10139	28.1
158.10925	2.3
159.08112	3.8
159.11702	46.2
161.09694	2.5
161.13268	30.1
163.11238	3.0
163.14861	17.5
165.33516	2.4
169.10110	12.9
171.11690	23.9
173.09703	2.0
173.13264	29.2
175.11238	3.5
175.14862	17.3
177.12810	3.2
177.16405	10.7
179.08467	3.1
181.10205	3.5
182.10982	2.5
183.11729	17.2
185.13297	21.2
187.11249	3.2
187.14877	16.6
189.12837	3.5
189.16396	15.8
191.14394	2.1
191.18074	3.6
193.10233	3.2
193.12100	2.0
195.11752	8.1
197.13278	11.2
199.14830	18.2
201.12859	3.4
201.16422	19.1
203.14392	2.5
203.17981	10.2
209.13394	5.9
211.14932	10.2
213.16426	17.3
215.17978	21.0
217.16060	3.2
217.19609	7.8
221.13377	3.9
222.31084	2.1
223.14890	4.6
225.16434	7.6
227.18033	8.4
229.15916	3.1
229.19577	7.6
231.21077	3.1
233.13409	3.5
233.19087	3.4
235.14948	4.3
237.16460	5.3
239.18030	6.4
241.19600	5.6
243.21207	9.0
245.22762	2.3
253.19656	6.3
255.21184	8.8
257.22729	9.4
263.17880	3.5
265.19489	2.5
267.21088	8.1
269.22668	17.8
271.24289	16.5
279.21262	2.4
281.22583	10.0
283.21194	2.5
283.24280	6.8
293.22614	3.3
295.24191	3.1
297.22238	2.3
299.23795	9.5
305.12564	2.0
311.23755	3.5
329.24716	3.4
351.26883	3.5
361.25372	4.2
379.26230	10.3
397.27423	10.8
415.28445	4.3
456.95984	2.0
611.44464	3.2
629.45410	12.5
647.46857	25.7
665.47766	67.7
666.48248	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	665.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	9.6
55.05511	19.4
56.05024	14.2
67.05495	40.6
69.03429	19.3
69.07066	28.7
70.06598	92.0
71.50282	10.1
72.08162	26.6
74.00681	11.9
79.05495	32.7
81.07055	100.0
83.08556	10.5
84.04509	31.6
84.08148	36.9
85.02898	34.7
85.04035	10.6
86.09702	49.6
91.05481	28.3
92.01698	23.0
93.07053	74.2
95.05011	11.8
95.08626	79.1
97.02895	11.7
97.06522	20.7
99.05578	46.0
105.07039	58.3
107.08592	76.9
109.06525	27.1
109.10158	45.5
112.03928	15.1
117.06973	14.4
118.06089	10.2
119.08614	60.6
120.08102	21.2
121.10157	38.0
122.45480	10.5
123.08097	23.1
123.11694	20.8
125.05975	12.8
125.09665	17.2
127.05055	16.0
129.07028	11.6
129.10199	18.7
130.05011	61.4
131.08575	33.2
133.10219	20.9
135.11702	22.7
136.07675	9.1
143.08528	13.0
145.06049	90.4
145.10136	42.2
147.11673	29.3
149.13274	45.7
151.11191	28.3
155.08354	10.4
157.10135	22.2
159.11711	27.9
161.13249	13.0
167.08466	11.2
169.08659	16.0
171.08076	33.3
171.11655	23.3
173.13210	18.2
175.14847	12.3
177.03342	20.9
178.01703	20.8
185.13214	13.4
187.14806	10.9
190.93614	10.2
195.04393	58.5
199.14763	14.9
201.16380	10.7
211.11130	12.6
213.16403	20.4
221.09685	16.0
227.17848	12.2
237.12877	10.2
263.14365	31.3
267.17386	20.5
269.22626	42.6
287.23688	32.9
313.12531	16.9
317.69919	11.2
381.22162	11.5
446.63446	9.8
485.23428	13.8
496.96149	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	664.515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.2
55.01862	3.8
55.05515	31.2
57.03441	16.7
57.07070	9.2
59.05006	9.9
65.03941	2.8
67.05508	87.9
69.07071	31.5
69.16589	14.9
70.50562	1.3
71.04984	3.5
71.08639	10.3
71.27659	1.7
73.06559	9.8
79.05495	52.8
81.03419	2.1
81.07059	100.0
83.04985	7.3
83.08617	19.2
84.64716	1.4
85.06542	4.7
85.10175	1.7
91.05486	41.9
93.07047	58.9
95.04990	7.7
95.08611	55.9
97.06529	10.5
97.10163	13.8
98.20715	3.3
99.08092	10.7
105.04465	1.7
105.07036	37.7
107.04955	3.5
107.08599	30.8
109.06517	5.1
109.10159	28.5
111.08077	4.3
117.07011	12.1
117.09162	2.3
119.08579	24.8
121.06535	2.0
121.10154	21.6
123.08076	2.7
123.11700	6.7
125.09681	7.8
129.07008	5.9
131.08575	21.3
131.10712	2.3
133.10127	17.4
135.08052	4.7
135.11716	16.9
137.09538	2.4
137.13274	4.1
138.12700	1.6
143.08582	4.3
143.85901	1.5
145.10130	18.9
147.11707	17.4
149.09608	4.9
149.13268	10.2
151.11168	3.7
157.10121	6.4
159.11708	10.9
160.07289	1.8
161.13229	8.2
163.11163	5.1
163.14854	4.0
165.12741	2.0
169.10146	3.1
171.11697	3.7
173.11847	2.3
173.13304	8.0
175.14857	2.5
177.12856	2.6
183.11696	2.8
185.13210	3.1
187.14775	4.8
189.11295	2.5
201.16402	1.9
203.17918	2.3
215.17921	1.7
227.12769	15.4
229.14369	4.4
229.19635	1.7
241.19450	1.9
243.21101	2.3
245.22542	1.7
257.18979	6.6
259.20599	3.2
261.22211	4.3
263.23694	3.9
267.15988	2.7
269.17496	8.7
275.20114	16.3
277.21689	7.8
279.23239	5.1
293.21082	2.7
327.07678	4.9
328.08267	2.0
330.19440	1.6
333.24213	4.0
335.25873	15.7
337.27356	33.2
349.23715	16.0
351.25180	7.3
353.26709	6.3
375.40540	1.5
384.14359	2.8
433.32788	1.8
439.20053	2.4
440.20520	2.7
489.35782	3.8
491.36951	8.0
496.26855	3.8
507.36917	2.1
515.41217	1.5
529.39014	15.7
531.40460	1.9
552.33197	5.1
554.88477	1.6
571.43500	4.3
608.39380	2.4
611.46661	15.2
629.47089	3.7
664.50037	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	664.515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.7
55.01869	3.3
55.05516	28.3
57.03434	16.6
57.07076	16.7
59.04994	20.7
62.47734	2.5
62.70580	2.3
65.03940	3.0
67.05507	98.8
69.07073	35.2
71.04977	2.8
71.08610	5.6
73.06576	3.6
79.05501	50.3
79.28308	2.5
81.03415	4.4
81.07061	100.0
83.04974	6.2
83.08617	19.7
85.06536	4.9
87.04459	3.3
89.06048	3.2
91.05479	48.9
93.07050	56.7
95.04971	9.4
95.08611	60.5
97.06528	11.2
97.10184	8.5
98.21535	4.9
99.08080	4.4
103.05506	3.3
105.07036	31.6
107.08600	29.6
109.06521	7.4
109.10156	28.3
111.79324	2.7
117.07026	14.2
119.08585	23.2
121.10162	20.7
121.38916	2.9
123.08060	6.4
123.11720	8.4
125.09593	2.9
129.07036	4.8
131.08617	14.1
133.10141	17.0
135.08092	5.5
135.11703	10.0
137.09602	3.3
137.13295	4.6
143.08594	5.6
145.10165	15.9
147.11685	10.6
149.09616	3.6
149.13286	9.0
157.10170	5.5
159.11743	8.5
161.13264	6.6
163.11244	4.5
169.10205	2.6
171.11769	3.1
173.13216	5.5
175.14838	3.8
177.12733	3.9
183.11841	4.3
185.13368	3.6
227.12764	4.6
229.14383	5.4
255.15891	3.8
257.19028	6.0
269.17551	6.2
275.20099	15.6
293.20993	2.9
327.07910	4.4
328.08038	4.3
335.25885	4.0
337.27417	45.9
349.23694	8.8
384.14526	4.8
440.20587	2.8
443.39444	2.5
491.37122	4.5
496.26691	2.7
516.01428	2.8
517.38812	8.7
531.40460	37.0
549.06879	2.9
552.33081	8.6
571.43695	8.6
608.39484	4.5
611.46906	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17191	1.4
55.01878	3.6
55.05513	7.5
57.03432	3.3
57.07074	3.9
59.05003	23.5
65.32240	1.2
67.05512	18.1
69.07073	7.7
79.05501	12.6
81.06594	2.3
81.07057	35.0
82.50923	1.3
83.04985	3.2
83.08607	3.3
87.04470	2.4
91.05472	5.4
93.07042	11.1
93.52454	1.2
95.08612	15.7
97.06522	2.0
98.95495	1.3
99.08105	1.6
101.06013	3.0
101.09697	1.4
105.07024	5.6
107.08588	8.9
109.06522	10.1
109.10158	6.3
111.04457	12.4
115.07559	3.3
117.09136	4.5
119.08556	6.5
121.10178	6.4
123.08020	2.4
123.11703	1.4
125.06013	4.0
131.08577	1.9
133.08580	1.6
133.10135	6.3
135.08051	2.8
135.11678	6.6
137.05986	100.0
137.09554	2.5
145.10106	4.3
147.08040	1.7
147.11650	6.6
149.09633	3.0
151.07532	3.6
157.10046	2.3
161.09605	5.2
161.13264	2.5
163.11153	3.3
165.09184	1.9
175.11171	3.8
175.14804	1.4
179.10704	1.7
184.07356	1.8
189.12825	2.0
198.96393	1.3
203.17966	3.9
213.16362	2.9
231.17497	8.2
249.18553	8.4
277.18008	54.4
295.19067	8.1
316.12088	1.4
328.07693	1.5
335.25784	26.2
351.21692	16.2
368.19232	1.3
611.43085	51.7
612.43182	1.9
629.43335	2.1
632.32806	1.5
633.26416	3.5
664.45740	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	664.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.9
55.01870	2.5
55.05520	15.5
65.03941	3.5
67.05505	30.5
69.03419	7.1
69.07073	19.8
71.23539	4.1
75.07121	2.3
77.03915	2.4
79.05495	31.0
81.07067	100.0
83.04974	7.5
83.08596	7.3
85.02925	14.9
85.06544	3.6
91.05486	23.5
93.07054	60.7
95.04943	5.2
95.08617	55.0
97.02891	3.9
97.06520	8.4
105.06396	4.1
105.07041	53.3
107.08600	65.3
109.06483	2.7
109.10169	52.0
109.52470	2.2
111.08097	5.5
111.84881	2.6
117.07038	7.9
119.08598	67.9
121.06505	4.2
121.10156	34.9
123.07991	2.7
123.11736	16.7
125.09610	7.1
127.03915	3.4
129.07025	5.6
130.07841	2.4
131.08574	23.0
133.10143	33.8
134.17957	2.4
135.08057	3.1
135.11697	38.1
137.09644	8.3
137.13309	4.9
142.07764	5.3
143.08568	14.0
144.09346	2.7
145.04938	5.6
145.10133	42.7
147.11713	32.8
149.13309	21.0
151.11172	4.2
156.09335	2.6
157.10106	22.2
159.11693	35.8
161.13255	32.7
163.11203	3.1
163.14815	10.6
165.12712	3.2
171.11705	18.7
173.13300	18.1
175.14815	15.4
177.12756	2.2
177.16365	5.6
179.14368	3.2
185.13303	12.2
187.14758	11.7
189.16406	9.6
193.15932	2.6
199.14853	17.8
201.16438	13.0
203.14249	2.6
203.18040	4.1
205.15770	3.2
213.16420	30.6
215.18001	2.6
217.19487	2.3
219.17448	8.0
227.17952	7.3
229.19586	15.3
231.17310	3.6
269.22684	47.8
287.23651	22.0
287.59717	2.8
305.24789	5.1
480.88806	2.6
599.21844	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	664.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.5
55.05508	20.9
57.03419	6.5
67.05508	30.8
69.03423	14.7
69.07080	37.1
69.39404	39.8
71.04996	37.6
79.05481	17.6
81.03422	7.3
81.07063	93.7
83.04966	11.2
83.08588	6.9
85.02914	85.7
91.05492	32.3
93.07049	66.1
95.08613	76.3
97.02885	13.4
105.07046	71.9
107.02519	5.9
107.08607	78.3
109.02881	7.0
109.10164	48.9
117.07020	11.5
119.08591	84.8
119.80840	6.2
121.10145	56.9
123.11691	19.8
127.03899	15.2
131.08540	23.1
133.10118	44.6
135.11734	31.4
137.13257	8.2
143.08540	17.9
144.09259	6.1
145.04951	16.3
145.10129	57.8
147.11694	58.8
149.13245	19.9
157.10129	25.1
159.11702	61.3
161.13260	51.3
163.14844	9.1
171.11650	13.1
173.13264	41.7
174.67087	7.0
175.14810	22.0
177.16420	9.7
185.13257	12.8
187.14883	10.6
189.16350	10.9
199.14807	16.9
201.16386	37.2
213.16406	42.8
215.17929	6.8
217.19513	24.2
219.17467	9.3
227.17921	8.2
229.19470	14.4
269.22650	100.0
287.23700	21.0
326.77353	5.7
619.84918	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	664.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.2
55.01880	4.4
55.05510	16.1
57.03435	3.8
57.07059	5.0
58.38565	1.9
59.05007	11.3
61.02930	4.7
67.05234	2.4
67.05510	26.0
68.76941	2.0
69.03425	12.8
69.07069	16.5
69.42035	5.7
69.42456	10.7
71.04984	6.3
72.08099	2.0
73.02938	2.4
79.05504	24.8
81.03406	6.7
81.07063	100.0
83.04975	6.6
83.08612	7.0
85.02913	33.2
85.06549	12.4
87.04468	8.7
91.05487	24.1
93.07047	60.2
95.04969	3.9
95.08614	68.0
97.02891	9.9
97.06526	8.5
97.10160	5.9
99.08114	4.0
105.07040	46.7
107.08602	60.0
109.02901	3.6
109.10165	39.4
111.08071	4.1
111.11790	3.0
113.09645	5.2
115.07533	3.5
117.07027	6.7
119.08590	62.5
121.09338	3.5
121.10152	49.1
123.08070	6.9
123.11721	22.5
125.09621	10.5
127.03916	7.7
127.15840	2.2
129.07042	4.2
131.08580	14.5
133.10127	31.4
135.11703	23.5
137.09677	2.5
137.13278	6.1
139.11180	3.6
141.09103	8.2
142.07806	3.1
143.08595	6.8
143.10687	13.5
144.09308	4.7
145.04953	10.5
145.10124	30.7
147.11719	30.3
149.13268	39.0
151.11166	3.8
157.10115	12.8
159.11685	32.6
161.13258	24.2
163.14847	14.4
169.12221	4.3
171.11691	7.1
173.13286	21.2
174.70709	1.9
175.14819	15.0
177.16403	5.9
185.13260	5.1
187.14825	12.6
189.16414	11.7
191.14308	4.0
191.17975	5.4
193.16043	2.5
199.14851	9.7
201.16406	5.6
203.17889	14.3
205.15982	3.1
213.16432	19.0
215.18127	2.3
217.15825	2.3
227.18004	6.9
229.19508	20.3
231.17421	2.6
238.72684	2.3
257.22675	2.9
269.22662	28.7
271.95450	2.1
272.76315	2.3
287.23685	13.2
305.24863	7.2
585.75079	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	663.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04570	0.3
53.03946	1.0
55.01877	0.5
55.05522	1.8
56.59845	0.3
56.72362	0.3
57.03440	1.8
59.05007	1.3
61.02932	5.9
65.03940	0.5
67.01830	0.3
67.05509	8.4
69.03438	3.7
69.07078	1.0
69.63721	1.8
71.04984	0.8
73.02916	3.8
75.04485	0.8
79.05499	4.9
81.03416	1.9
81.07064	5.7
83.04987	0.6
83.08627	0.9
84.04509	0.5
85.02905	5.5
85.06538	0.3
87.04482	0.5
89.06033	0.4
91.03960	3.3
91.05482	3.3
93.07047	4.6
95.04987	0.7
95.08604	3.7
97.02892	5.1
97.06548	0.4
98.20821	0.4
98.98431	0.3
99.04453	1.1
101.02391	1.5
103.02229	0.3
103.03941	0.5
105.07035	2.3
107.08570	1.8
109.02876	0.8
109.10157	4.4
111.08144	0.3
115.03950	0.5
117.07034	0.4
119.08591	2.5
121.10146	2.8
123.08099	0.6
123.11666	0.4
125.05991	0.4
127.03915	1.3
129.07045	0.5
131.08595	1.0
133.10156	1.3
135.08061	0.4
135.11707	0.9
137.09622	0.5
143.08595	0.7
145.10146	0.9
147.11664	0.6
149.09624	0.7
149.13304	0.4
155.10635	0.4
157.10150	0.5
159.08070	0.4
159.11699	0.9
161.09587	0.4
163.11243	0.4
171.11685	0.5
173.11830	0.8
173.13298	0.4
181.10159	0.4
184.07330	0.7
186.69714	0.3
195.10007	0.7
195.11703	0.3
197.13289	0.3
203.05130	0.4
221.15385	0.5
229.14243	0.5
243.08493	1.3
307.22791	0.9
337.27469	0.7
340.34082	0.3
413.17920	4.0
442.50995	0.3
469.28546	0.4
491.26199	8.8
530.39325	0.4
663.37177	100.0
664.37567	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	662.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04581	4.3
57.07071	13.8
59.05021	5.4
60.99067	5.1
67.05492	14.3
71.50990	7.1
72.88773	4.9
73.83353	4.2
76.56815	4.2
78.06347	3.8
79.05482	7.5
81.07055	10.7
87.04477	71.3
93.07035	11.7
95.08598	11.4
109.10214	5.0
135.11702	6.2
166.84558	4.6
202.42479	4.6
267.63022	4.8
277.21912	5.5
351.25150	7.8
433.24036	6.8
434.29547	5.4
445.19821	7.8
446.16882	5.7
459.21796	50.0
460.22388	10.7
461.23605	8.1
475.21313	12.6
494.09705	5.2
547.27295	31.1
548.26544	5.8
590.25018	4.5
593.23901	7.6
603.29810	5.7
605.26941	5.4
606.28375	100.0
607.29041	30.4
622.27960	50.4
623.27942	10.3
627.45032	6.0
662.29523	11.1
663.31891	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	662.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58946	4.2
53.03958	5.4
55.05509	30.5
57.03429	7.5
57.07067	19.6
59.04993	16.4
60.61274	5.5
65.03929	6.1
67.05508	100.0
69.07072	35.9
69.23496	44.3
69.23909	6.4
71.05009	6.4
71.08624	31.4
79.05068	7.3
79.05495	81.7
81.07063	89.1
81.50589	4.6
83.04956	11.0
83.08620	14.8
87.04475	79.0
89.06028	8.1
91.05486	57.5
93.07043	82.4
95.04961	9.7
95.08626	71.7
95.38297	5.1
97.06526	19.4
97.10149	13.8
98.98447	7.0
99.08076	15.6
105.07040	44.3
107.04956	7.8
107.08596	55.0
109.06494	10.7
109.10139	38.5
117.07030	11.1
119.08582	36.3
121.06498	10.7
121.10144	36.0
123.08128	9.6
125.09624	11.0
129.06828	5.2
131.08578	15.6
133.10141	26.7
135.11702	30.7
137.09583	8.8
145.10091	17.6
147.11687	16.9
149.13191	9.8
151.11153	10.9
157.10095	6.5
159.11711	12.6
161.13243	16.0
163.11096	6.4
171.11604	5.9
171.38239	5.3
173.13293	7.5
177.12718	6.0
179.14319	63.3
227.12724	16.0
229.14264	10.0
257.19107	7.9
261.22040	6.6
267.16272	6.7
275.20035	21.8
277.21616	58.9
335.25732	35.3
349.23615	16.4
351.25272	36.0
459.21692	13.0
489.35709	15.9
547.26648	9.9
606.27856	22.3
607.29498	7.0
609.45007	12.4
622.27869	12.1
627.46259	50.9
644.48975	8.8
662.46063	17.2
663.31891	27.3
663.48041	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	662.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.05518	18.5
57.03436	15.0
57.07073	9.5
59.04997	7.3
61.02925	4.6
61.96299	1.5
65.03911	1.5
65.82291	1.3
67.05509	85.0
69.03431	2.3
69.07074	22.3
69.07700	1.2
71.04994	4.1
71.08620	2.5
75.04481	1.7
78.98338	1.4
79.05498	13.0
81.03406	2.5
81.07060	38.1
83.04955	2.0
83.08627	26.5
85.02905	4.0
85.06535	3.8
85.10194	2.1
87.04477	15.4
89.06048	4.4
91.03957	3.7
91.05475	8.6
93.07043	14.9
94.07310	1.3
95.04982	2.3
95.08065	1.9
95.08612	20.8
97.02914	3.3
97.06521	4.3
97.10188	8.1
98.20770	2.2
105.07018	3.7
107.08578	8.5
109.06535	1.4
109.10163	63.8
111.08102	6.0
111.11706	2.0
119.08578	8.0
121.10159	13.2
123.11705	3.3
125.09636	3.2
131.08549	1.9
133.10159	1.7
135.11688	8.7
137.09631	2.0
139.11188	2.5
145.10153	1.9
149.13280	3.2
155.10663	6.1
163.06523	1.5
172.62167	1.4
173.11760	14.6
173.71481	1.3
184.07353	3.4
215.51988	1.5
219.21078	2.0
229.14360	100.0
237.22154	2.2
311.25818	84.0
312.26089	1.9
465.35825	88.6
466.36200	2.5
521.40808	6.3
609.80804	1.7
662.44946	2.6
663.46826	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.5
55.05515	0.7
57.03440	6.5
59.05004	100.0
60.05336	0.7
61.02925	0.3
67.05499	1.8
69.03432	2.2
69.07079	0.9
69.37940	0.6
69.38342	2.0
70.06586	1.4
71.04987	0.4
72.08160	0.9
79.05499	2.5
81.03423	1.0
81.07062	7.1
83.04975	0.5
83.08615	0.5
84.04504	0.5
84.08151	0.8
85.02910	4.0
86.09721	1.2
91.05488	1.7
92.78344	0.3
93.07047	3.1
95.08620	2.5
97.02866	1.4
97.06548	0.9
99.04469	0.5
99.08092	1.4
100.07634	0.8
101.09653	1.5
103.58002	0.3
105.07049	3.1
107.08606	2.5
109.02897	0.6
109.06534	0.8
109.10152	1.3
111.08153	0.3
115.07572	3.5
117.09136	41.6
118.09441	0.3
119.08612	2.2
120.08091	0.3
121.10156	1.1
127.03924	1.2
128.07065	1.5
129.07007	0.4
131.08586	1.7
133.10159	1.8
135.10158	0.5
135.11699	1.7
137.09634	0.6
142.07726	0.3
143.08574	0.6
145.05000	0.6
145.10162	1.6
147.11690	1.5
149.13289	0.7
151.11203	0.7
155.08548	0.5
157.10107	0.8
159.11693	1.2
159.13779	0.4
161.13252	0.9
169.10220	0.4
171.11705	0.8
173.11806	0.6
173.13272	0.8
173.21280	0.3
175.13316	20.9
175.14790	1.2
177.12694	0.3
183.11665	0.5
185.13216	0.8
187.14780	0.4
189.12761	0.6
193.14316	0.7
193.15886	0.5
197.13263	0.5
199.14876	0.6
201.16537	0.4
203.14400	0.4
204.15062	0.4
205.15727	0.3
211.14835	0.6
213.20856	0.3
217.15897	0.5
227.17978	0.6
233.15280	0.6
233.17494	8.0
245.18999	1.1
251.18576	1.7
267.21121	1.4
285.22116	1.7
291.21628	1.9
303.23224	2.4
309.22763	2.1
367.26819	0.7
483.35385	4.9
515.47906	0.3
654.95630	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	1.2
53.03944	5.7
54.86768	1.1
55.01859	4.1
55.05511	12.1
57.03438	2.8
57.07061	2.0
59.04995	2.6
59.58113	1.1
61.02920	1.9
65.03933	2.4
67.05510	33.2
69.03144	1.0
69.03438	10.4
69.07070	17.0
70.06583	1.4
70.71646	1.4
70.71990	3.0
71.04973	1.6
79.05496	44.3
81.03413	3.7
81.07057	100.0
83.04990	6.9
83.08627	6.0
85.02436	2.0
85.02910	26.9
85.06547	8.1
85.36956	1.1
91.04904	2.1
91.05479	35.1
93.07047	56.0
95.04990	7.9
95.08609	47.7
97.02882	5.4
97.06551	7.3
97.10152	4.1
103.05480	2.2
105.04531	1.6
105.07034	71.6
107.04953	2.3
107.08598	72.4
108.51115	1.3
109.02854	2.7
109.06519	7.8
109.09483	2.2
109.10165	33.5
111.08076	4.7
115.05417	1.6
117.07019	13.0
119.06038	1.3
119.08584	53.0
121.06500	4.4
121.10139	20.8
123.07206	2.0
123.08068	31.5
123.11688	14.8
125.08774	1.9
125.09636	26.6
127.03912	5.2
128.06224	3.3
129.06987	7.4
130.07759	1.9
131.08562	23.7
133.06575	1.6
133.10133	32.6
135.08138	7.6
135.11699	50.0
135.12726	2.7
137.09612	4.7
137.13286	3.5
141.06993	3.3
142.07826	6.2
143.08556	15.5
144.09311	2.1
145.04976	3.5
145.10123	35.5
147.08043	4.2
147.11694	18.6
149.09615	9.3
149.13252	13.6
151.11203	3.0
152.27525	1.2
153.07924	2.0
153.09114	23.3
155.08569	9.7
156.09309	3.3
157.10124	20.8
159.11711	41.7
159.13026	2.1
161.09607	4.1
161.13252	22.8
163.11186	7.3
163.14835	14.2
168.09349	2.3
169.10107	12.0
170.10889	1.4
171.11681	16.1
173.09639	1.7
173.13268	16.1
175.11218	7.8
175.14822	9.4
177.12802	8.4
177.16341	1.3
179.10712	1.7
179.14268	2.7
181.10136	2.2
181.12259	2.1
182.10957	1.8
183.11714	9.6
185.13271	14.1
187.11119	1.4
187.14825	10.0
189.12729	5.7
189.16385	2.5
191.14319	4.4
193.15900	5.5
195.13649	1.3
197.13248	10.2
199.14838	8.8
201.12750	1.9
201.16374	7.1
203.14322	4.5
205.15800	3.4
207.13840	7.0
209.15408	1.7
211.14803	10.6
213.16403	3.3
215.14320	3.6
215.17996	1.9
217.15820	3.5
219.17378	1.6
221.15523	1.4
225.16406	4.8
227.17938	12.9
229.15926	8.6
239.17894	3.9
241.19534	4.2
243.21141	2.2
257.18988	1.9
257.22574	6.1
267.21066	25.8
285.22125	43.2
286.22552	1.7
303.23224	24.0
501.35229	1.3
652.29913	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	9.9
54.87609	6.5
55.01876	6.5
55.05515	33.8
57.03437	6.4
57.07098	5.6
59.05009	5.2
63.27095	4.9
65.03922	5.3
67.05513	57.7
69.03429	16.0
69.07079	42.2
70.06592	11.9
70.25864	5.5
71.05000	6.7
72.08173	8.2
75.04499	7.5
79.05510	53.0
81.03429	44.9
81.07065	100.0
83.04973	14.9
83.08619	15.3
84.08107	5.7
85.02926	12.8
87.04497	6.2
89.06005	11.7
91.05483	47.9
93.07055	78.9
95.04973	32.4
95.06095	12.9
95.08632	63.3
97.02882	12.3
97.06554	11.2
97.10147	9.3
105.04532	5.5
105.07047	69.0
107.04977	13.1
107.08612	65.7
109.02910	16.1
109.06520	16.2
109.10178	61.5
117.07006	10.1
119.08601	68.4
121.06550	7.9
121.07662	13.6
121.10155	57.2
123.04468	10.8
123.08115	9.5
123.11729	18.9
125.09617	9.4
127.03922	21.4
128.06239	6.9
129.06993	15.5
131.08572	41.8
133.10129	43.0
135.08060	8.8
135.11694	24.8
138.10272	20.3
143.08572	32.1
145.10130	41.5
147.08083	15.5
147.11728	29.7
149.05968	6.5
149.09634	12.7
149.13278	23.2
151.11227	6.0
155.08566	13.6
156.09309	6.3
157.10175	35.3
159.11682	32.6
161.09660	9.5
161.13289	20.8
163.11224	6.9
163.14845	12.1
167.10667	11.0
169.10164	8.2
170.34302	5.0
171.11699	19.0
173.13298	29.3
175.14874	14.8
181.10109	13.4
183.11708	14.6
185.11783	5.8
185.13263	14.0
187.14864	16.3
189.11272	7.2
189.16359	7.9
193.12138	6.6
195.11780	10.7
197.13304	8.4
199.14888	10.7
201.16463	17.0
207.11798	6.1
207.13748	6.3
209.13358	6.4
211.14870	11.7
213.12686	6.8
213.16458	13.9
215.17928	9.0
221.15337	6.0
223.14957	6.6
225.16402	9.0
235.13347	17.4
239.17880	7.1
253.19566	6.7
257.22675	13.2
269.22775	8.8
271.24261	6.8
281.22757	9.9
283.24255	7.9
284.68396	5.7
289.14392	5.4
290.73105	5.2
295.24225	7.5
297.25763	6.7
299.23535	5.7
301.14362	9.3
307.01126	7.1
429.15738	11.5
444.18161	9.7
456.17731	6.0
457.14886	17.9
463.35590	14.7
471.16895	5.9
472.17358	22.3
481.36673	8.6
519.56293	6.7
531.22565	9.5
559.22070	50.6
587.21484	6.5
607.40002	9.5
619.24042	84.7
625.40656	21.5
629.22614	14.7
643.41510	11.1
661.24475	65.7
661.43018	14.2
662.24634	7.1
662.43787	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	661.343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.3
55.01854	2.3
55.05513	8.1
56.05031	1.6
57.03426	4.5
61.02915	4.8
65.03929	2.3
67.05186	1.9
67.05507	24.7
69.03435	21.0
69.07055	5.2
70.06596	11.5
71.04989	4.1
71.50320	2.3
72.08138	5.4
75.04481	1.5
77.03919	1.9
79.05499	23.2
81.03423	6.5
81.06593	2.0
81.07062	35.7
83.04959	4.8
83.08604	1.7
84.04498	2.4
84.08126	6.4
85.02913	17.7
86.06078	1.7
86.09721	8.7
87.04436	3.0
91.03944	1.6
91.05492	33.6
93.07050	100.0
95.04973	11.5
95.08615	23.9
97.02895	7.7
97.06522	5.5
97.10189	1.4
97.58250	1.2
99.04448	4.2
103.05438	2.6
105.04494	2.2
105.07043	25.9
107.04960	1.7
107.08602	25.8
109.02883	2.6
109.06506	5.9
109.10164	53.4
110.07140	1.7
111.04373	1.9
111.08117	7.0
111.08746	1.6
116.06275	1.4
117.06995	3.5
119.08591	25.5
120.05629	1.3
120.08098	3.9
121.06538	7.6
121.10151	66.7
123.08086	3.8
123.11715	11.9
125.06005	1.5
125.09663	2.5
126.55537	1.5
127.03889	4.5
128.06258	1.9
129.06985	3.3
129.10240	3.0
131.08574	25.3
133.10147	15.6
135.08078	6.5
135.11685	6.3
137.09618	15.4
139.11206	6.7
143.08585	4.2
145.04982	2.6
145.10146	10.0
147.08105	1.8
147.11684	10.5
149.09622	31.9
151.11172	9.1
153.09102	1.6
157.10123	5.9
159.08038	2.2
159.11697	10.5
161.09641	5.0
161.13251	3.5
162.02182	1.5
162.37962	1.5
163.11191	6.8
165.12746	2.8
167.10698	6.6
169.10074	2.2
171.11678	3.7
173.09573	1.3
173.13252	4.8
175.11189	5.0
175.14792	2.0
177.12761	2.7
179.10645	6.1
180.85818	1.4
182.10872	1.5
183.11635	1.8
185.13200	2.7
187.11133	2.8
187.14832	3.1
191.14354	4.4
195.13771	1.4
197.13286	1.8
199.14815	4.1
203.14265	1.9
211.14809	2.7
213.16338	2.8
214.18027	4.8
215.14317	6.8
221.15424	2.1
227.14377	1.8
231.17407	3.3
233.15413	6.7
243.17520	2.6
247.07626	1.8
255.21175	3.5
265.19373	1.4
267.21152	1.9
283.20532	8.6
285.22324	1.5
301.21634	24.2
303.22928	1.7
319.22632	7.2
391.64832	1.6
395.20410	4.2
445.25610	1.7
463.26630	7.8
481.28189	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	661.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
79.31641	0.5
81.06970	0.5
81.34087	0.6
89.05943	1.0
91.05363	0.5
93.06987	0.7
105.06902	0.7
162.78293	0.5
180.49915	0.5
194.45880	0.5
283.17236	0.5
315.19318	0.6
324.40643	0.5
344.98904	0.5
387.14392	0.7
388.15866	0.6
393.81808	0.6
400.16110	0.6
401.16199	1.9
414.12817	0.6
415.13593	1.1
416.14236	0.8
416.18842	1.4
417.16052	1.4
427.13953	0.7
428.14905	0.9
429.15448	7.7
430.16431	3.7
431.17142	5.1
435.18179	0.9
440.14722	0.5
441.15540	1.6
442.11670	0.7
442.16776	1.3
443.17166	2.7
444.18103	9.3
445.19409	2.8
447.16589	0.7
453.15665	1.2
454.16473	3.4
455.17212	3.7
456.18661	2.9
457.14392	17.5
458.15405	1.8
459.16623	1.5
467.17178	1.5
468.18277	1.1
469.19348	3.8
471.16061	8.2
472.17429	28.3
473.18277	3.7
474.18817	0.8
482.15726	1.3
483.16785	1.5
485.18359	1.0
486.14810	0.6
496.17487	1.4
497.18173	3.8
499.19586	1.1
500.16928	2.9
501.17676	2.4
513.18268	0.7
515.19391	4.2
516.20209	1.9
517.19885	0.7
524.16919	0.9
527.19360	0.9
530.21735	1.7
531.22522	11.1
532.22772	0.6
544.19275	0.7
556.19641	1.8
557.21100	0.6
559.21918	63.1
560.21930	3.1
587.21234	5.0
597.20337	0.8
618.22961	1.0
619.24042	100.0
620.24231	5.4
629.22473	5.7
643.24207	1.7
661.25098	78.5
662.25354	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	661.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90448	0.5
55.05505	2.0
57.01301	0.6
57.03419	0.8
59.05012	0.6
67.05507	1.2
69.07061	2.2
70.06592	0.8
70.57707	1.0
70.58042	1.1
72.08127	0.8
74.94505	0.5
79.05492	0.9
81.07053	2.3
83.08634	1.8
85.02921	0.9
87.04487	0.9
89.06037	8.0
91.05485	1.1
93.07027	1.8
97.02918	0.6
97.10162	1.3
105.07037	1.1
107.08582	1.0
109.10151	0.7
119.08601	1.0
121.10135	1.2
133.08601	4.8
133.10155	1.1
135.71005	0.7
145.38554	0.6
161.18875	0.7
171.33430	0.6
177.11327	0.7
239.14920	0.7
283.17563	3.0
411.14386	1.7
413.16351	1.5
425.16595	3.6
426.16827	1.6
427.17715	2.0
428.14487	1.0
429.15305	1.2
430.16547	0.9
431.17194	1.7
439.14139	2.6
440.13736	0.9
440.19522	3.6
441.15228	1.9
442.16422	0.8
443.17407	1.2
452.14893	1.9
453.15665	6.4
454.16324	4.5
454.91400	0.7
455.17307	3.2
456.18167	3.7
457.14917	2.2
458.15756	1.3
464.36362	0.8
467.17224	3.5
468.18494	12.9
469.19711	7.9
470.19928	1.5
471.15854	2.1
471.20911	2.0
472.17502	1.9
480.13727	1.0
481.15204	3.8
481.37488	1.8
482.15955	6.0
482.20929	1.4
482.37717	1.2
483.15585	3.5
483.21378	0.9
495.16608	2.5
496.17484	10.8
497.18182	22.3
498.18796	3.9
499.15512	3.5
500.16418	0.8
509.14297	1.4
510.18887	1.4
511.19687	2.7
513.17688	3.7
514.18457	7.1
515.19269	2.8
520.17358	0.7
522.16089	0.9
523.18958	0.8
524.16901	13.7
525.17633	1.1
526.18524	0.9
528.20270	9.2
529.20990	3.5
530.21429	2.4
541.18054	1.1
551.18994	0.8
553.20984	3.5
554.18085	1.1
555.18781	2.0
556.19525	7.9
557.20465	2.2
569.20490	9.2
570.21295	1.5
585.23572	1.4
585.88068	0.6
587.21259	3.4
597.19885	20.3
598.19574	1.4
601.22449	4.1
611.21082	0.8
618.22992	1.7
619.23694	1.7
629.22498	100.0
630.22601	4.7
647.22931	1.6
661.25012	50.7
662.25024	2.5
687.48596	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.01880	1.6
55.05513	15.6
55.05761	1.3
57.03440	13.8
57.07079	4.2
59.04998	4.1
61.02934	5.1
61.31213	0.7
65.03944	2.4
67.05508	100.0
68.05840	0.9
69.03442	1.8
69.07072	15.7
69.25115	1.5
69.25525	4.6
71.05002	3.1
71.08642	2.3
73.02921	1.3
79.05492	12.5
81.07059	51.6
82.07400	0.7
82.90736	0.8
83.04986	2.1
83.08627	13.5
85.02916	4.7
85.06544	3.4
85.10205	1.4
87.04514	0.7
89.06041	2.5
91.03957	2.2
91.05487	13.6
93.07043	12.7
93.33199	0.6
95.04992	1.7
95.08607	26.7
97.02907	2.6
97.06536	2.1
97.10191	2.6
99.08081	3.2
105.07034	7.0
107.08597	7.4
109.06532	1.5
109.10161	79.0
111.08087	5.0
111.11653	0.9
113.09647	1.9
117.07064	1.1
119.08582	9.8
121.10141	5.4
123.11700	5.4
125.09631	2.4
127.03925	1.0
127.11169	1.3
131.08546	1.3
133.08626	1.4
133.10121	6.4
135.11674	4.9
137.09624	3.2
137.13272	1.9
147.11676	3.6
149.13277	1.1
155.10687	6.1
161.13239	1.6
173.11751	18.9
175.14841	1.8
217.19495	5.5
227.12909	1.0
229.14362	97.8
230.14841	1.0
235.20592	9.9
253.96016	0.7
309.24246	82.2
310.24673	1.6
463.34198	82.1
464.34445	2.4
501.39752	0.9
519.40179	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
55.05514	20.5
56.31895	0.6
57.03442	1.1
57.07074	4.5
59.05001	12.3
61.02906	0.9
63.46749	0.7
67.05515	3.7
69.03423	4.0
69.07072	32.4
69.76104	3.9
70.06593	1.7
71.08633	4.5
73.02928	1.4
73.06557	1.4
77.06059	1.6
79.05505	1.0
81.03416	1.5
81.07053	5.1
83.08619	18.2
85.02906	14.4
85.10187	4.6
86.09677	0.8
87.04475	26.1
89.06036	40.9
93.07056	1.2
93.24690	0.8
95.08601	6.4
97.02901	5.0
97.10178	23.7
98.20830	0.8
99.04439	0.9
100.54209	0.6
103.03947	100.0
103.07581	8.2
107.07043	3.7
109.02885	1.7
109.10147	6.8
111.11731	16.3
117.09180	0.7
117.84560	0.7
119.07050	1.6
121.04994	1.4
121.08645	1.4
121.10123	0.9
123.11740	1.1
125.13264	2.2
127.03907	2.0
130.08566	0.7
131.07056	8.6
133.08609	14.7
145.05046	1.0
147.06523	9.7
147.10187	1.8
151.09691	2.0
163.09671	2.4
165.11247	1.0
165.16370	1.4
168.50688	0.8
175.09639	4.9
177.11259	5.6
183.17480	6.7
185.19009	5.7
191.09129	7.9
191.17940	1.0
195.12340	1.6
207.12328	1.9
209.13895	1.3
209.19014	0.9
219.12321	1.6
221.13812	1.1
227.20103	2.4
229.21707	3.1
235.11795	7.7
251.14815	4.2
253.12947	1.1
253.16461	3.7
255.23331	1.0
269.15939	1.7
273.24237	9.0
279.14404	3.4
297.15475	19.2
317.26733	3.8
361.29727	1.3
379.30582	2.0
405.32034	0.9
423.33154	0.9
435.33282	3.7
439.39349	0.9
463.32434	5.3
479.22302	0.7
481.33740	40.5
633.86353	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	7.5
55.01867	5.1
55.05512	14.2
57.03443	28.0
57.07075	2.5
57.32495	1.3
59.05013	2.0
61.02934	88.1
65.03943	4.5
67.05511	50.2
69.03436	35.2
69.07076	12.1
69.29648	10.4
70.06583	2.8
71.01359	4.8
71.04993	5.8
73.02926	30.3
75.04482	1.7
79.05072	2.9
79.05502	36.1
81.02988	2.4
81.03429	30.6
81.07067	44.7
83.04975	4.9
83.08626	5.5
85.02916	100.0
85.06541	2.2
87.04479	3.9
88.07626	2.9
88.56803	1.4
91.03963	54.3
91.05482	20.8
91.09187	1.4
93.07052	40.0
95.04980	4.3
95.08614	36.0
95.09184	2.8
97.02903	83.5
97.06554	2.7
97.10176	3.2
98.20759	2.3
99.04468	11.7
99.08070	2.1
101.02371	8.9
103.03945	10.0
105.07045	15.2
107.08593	17.7
109.02887	13.5
109.06564	2.3
109.10162	20.2
111.04462	2.2
115.03954	5.7
117.05545	1.9
117.07018	6.7
119.08588	12.7
119.58452	1.3
121.10156	21.4
123.11742	7.3
125.09583	1.7
127.03934	35.5
129.05508	5.3
129.07054	2.4
131.08589	9.9
133.10162	12.3
135.11697	14.8
137.06035	1.5
137.13280	2.8
143.08553	2.5
144.73618	1.4
145.04980	23.8
145.10118	9.5
147.11707	6.3
149.02406	3.7
149.09679	2.4
149.13293	7.8
155.07083	2.3
157.10197	1.9
159.06558	3.9
159.11707	9.8
161.13249	8.0
163.06046	5.9
163.14832	5.1
169.10168	1.8
171.06604	3.0
171.11681	2.5
173.13300	6.3
175.14856	1.9
177.16495	2.1
183.06558	9.1
187.14862	2.7
193.04997	3.0
194.05365	2.2
199.14949	2.2
201.07591	5.7
201.16438	1.6
209.15401	1.4
233.22395	1.4
243.21149	5.8
250.65062	1.5
256.26328	3.3
257.26630	2.8
259.20633	1.9
261.22162	22.7
277.21707	1.5
300.39566	1.4
303.23276	2.7
317.24448	1.9
335.25824	87.6
363.25217	3.4
369.24039	1.9
386.09323	2.3
387.25314	2.0
430.12292	2.5
443.27982	2.7
461.29089	3.1
479.30270	8.8
659.36096	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2351
Annotation	Xyloccensin T
Peak:m/z	Relative Intensity
54.38320	0.8
55.05516	1.5
57.51151	0.8
59.05002	0.7
67.05495	3.5
70.06595	0.8
79.05482	1.5
79.87259	0.8
81.07056	3.1
81.22850	0.8
82.77231	0.8
84.76959	0.8
87.79552	0.7
91.05493	1.6
93.07047	2.7
95.08651	1.6
105.07014	1.8
107.08625	1.9
109.06552	1.5
109.10146	2.0
113.11568	0.8
117.07061	0.6
119.08608	0.8
119.60332	0.7
120.69965	0.7
133.10100	0.9
145.10098	1.1
184.07378	1.3
201.16733	0.9
213.92155	0.8
222.65964	0.8
229.14369	1.8
290.13840	0.9
307.22678	0.9
339.88266	0.9
385.12726	1.5
386.13901	1.2
395.27866	0.8
396.13254	0.9
398.13602	0.9
399.14468	3.4
400.15347	8.1
408.12390	1.6
409.13416	1.7
410.14624	0.9
411.15588	1.1
413.16080	3.5
414.17136	3.7
421.13181	3.2
422.13934	6.0
423.14636	7.0
424.15775	1.9
425.16003	1.3
427.18051	1.7
428.18231	1.3
429.18588	2.7
430.19598	1.1
435.14377	3.7
436.15540	5.2
437.16290	13.0
438.16797	2.4
442.15598	0.9
443.16559	1.2
449.16132	2.6
450.16861	3.5
451.18372	5.8
452.19238	4.0
453.15192	1.1
455.17471	1.3
456.17511	1.7
461.32690	0.8
463.14163	2.1
464.14630	4.2
465.15271	3.6
465.19769	2.5
466.20148	1.2
467.17694	3.7
469.14459	1.9
477.15707	2.1
478.16354	3.1
479.17612	4.9
480.18094	5.1
481.14713	1.2
482.15741	1.3
483.16769	3.8
484.16885	4.1
485.17392	1.2
492.17981	1.1
493.18896	12.1
494.15387	3.0
494.20602	1.5
495.16492	6.9
496.17200	4.1
497.18066	1.2
498.15146	3.2
506.15634	1.8
507.16464	3.2
508.17496	10.3
509.18420	5.5
511.19446	3.0
512.16614	13.3
513.17365	1.7
516.23712	2.0
521.18201	14.3
522.15991	5.3
523.19220	1.4
524.16943	1.9
525.21747	1.0
526.14960	2.7
538.18616	1.0
539.18970	2.7
540.19763	5.0
543.22235	3.2
549.17926	1.4
553.20880	20.7
554.20923	1.3
571.21753	2.2
572.22375	6.5
581.20343	65.0
581.73248	0.9
582.20428	4.2
599.21112	19.9
600.21643	5.0
613.23035	23.2
622.22485	1.9
627.20837	1.1
631.23828	5.2
641.22455	100.0
642.22540	5.0
659.23486	25.1
660.24023	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.51
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.5
57.07079	32.6
59.04997	1.1
67.05510	0.8
69.07066	4.3
71.08634	28.3
72.47433	0.4
73.02908	0.7
73.06563	8.6
76.01011	0.4
78.66410	0.4
80.28584	0.4
81.07081	0.7
83.08624	3.9
85.09663	0.7
85.10188	16.7
87.04475	7.6
89.06036	100.0
91.05482	0.5
91.07613	1.7
91.98853	0.4
97.10160	4.2
99.11736	2.5
107.07086	1.3
111.11737	3.1
111.31366	0.4
113.13296	1.8
117.09137	7.6
119.99638	0.4
125.13296	1.8
127.14854	1.4
130.08636	1.0
131.07047	2.6
133.08611	49.2
135.10156	0.8
136.06256	0.7
141.16441	0.4
161.11771	1.8
175.09671	1.3
177.11238	20.3
183.21059	2.6
221.13852	3.9
227.23799	2.0
265.16531	1.3
271.26358	6.0
283.17627	1.5
309.19089	0.8
315.28918	2.9
403.63550	0.6
410.20938	0.8
444.22159	0.9
459.28116	1.6
504.24802	0.6
512.27240	0.8
554.28882	0.8
570.27930	1.3
598.27704	1.9
641.48718	3.2
658.29388	5.4
658.51917	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
54.71378	0.5
55.05515	5.7
57.03443	7.9
57.07069	2.1
59.04999	1.0
61.02932	2.6
61.50434	0.4
65.03935	1.3
67.05510	18.1
69.03446	0.6
69.07078	5.5
69.25155	4.1
70.16232	0.5
71.04993	0.8
71.08616	1.3
73.02917	0.6
77.03917	0.6
79.05499	18.7
79.17462	0.5
81.03437	0.9
81.07063	100.0
82.07384	0.7
83.04996	1.3
83.08631	2.1
84.31921	0.5
85.02893	2.6
85.06554	1.0
89.06043	1.7
91.03979	1.0
91.05489	5.9
93.07055	13.3
95.04995	1.0
95.08611	11.3
97.02912	1.3
97.10209	0.7
99.08104	5.4
103.03992	0.6
105.07023	4.5
107.08594	7.1
109.06521	1.7
109.10164	6.1
112.28928	0.5
117.07059	1.3
119.08572	4.7
121.10149	6.6
121.93750	0.4
123.11756	2.5
125.06052	0.5
127.07565	11.2
129.14522	0.5
131.08577	4.0
133.08617	1.1
133.10138	3.2
135.11697	4.4
137.09673	0.5
137.13275	1.0
145.08597	4.4
145.10155	2.4
147.11690	2.5
149.13255	2.9
159.11736	1.9
161.13336	1.5
163.14857	1.8
165.12605	0.6
173.13286	2.5
175.14902	0.6
176.09280	0.5
177.11258	1.0
177.16371	0.6
187.14796	0.7
199.09726	2.8
201.11235	51.7
202.11545	0.6
229.14403	1.0
233.22739	0.5
243.21051	3.9
261.22156	11.4
317.24863	1.7
335.25827	40.2
336.26215	1.3
369.27991	1.0
443.31427	0.5
461.32651	16.1
461.39099	1.0
479.33841	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	658.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31798	1.0
53.03946	1.5
55.01869	1.7
55.05513	13.6
55.21499	1.1
57.03438	14.2
57.07074	2.5
59.04997	4.4
61.02932	6.4
62.19282	1.3
62.74904	1.4
65.03950	3.7
65.55988	1.0
67.05510	100.0
69.03428	2.0
69.07058	7.7
71.05008	2.9
73.02920	2.1
79.05502	32.7
81.03405	1.7
81.07065	40.6
83.05000	1.6
83.08625	8.0
83.80128	1.1
85.02925	6.1
85.06550	5.0
90.23395	1.0
91.03957	2.5
91.05490	16.9
93.07047	34.8
95.04967	4.4
95.08610	24.8
95.09181	1.8
95.39590	1.1
97.02886	3.0
97.06535	2.5
99.08053	2.6
105.07037	8.8
107.08593	16.5
109.06528	1.3
109.10164	85.6
110.10524	1.4
111.08098	4.5
113.09722	1.3
117.07041	4.3
119.08580	12.4
121.10158	20.8
123.08125	1.1
123.11726	3.9
125.09645	1.7
131.08592	8.4
133.10159	8.6
135.11705	16.3
137.09615	4.7
145.10112	5.5
146.93381	1.1
147.11697	5.1
149.09621	1.4
149.13283	8.0
155.10718	8.4
159.11688	6.2
163.11198	1.1
173.11752	16.9
173.13287	5.6
205.19582	3.1
208.85472	1.1
215.17979	20.9
227.12814	2.5
229.14375	99.6
233.19012	24.4
239.29361	1.1
282.52277	1.1
289.21619	1.3
307.22699	82.8
308.23007	2.3
369.28091	1.2
443.31711	1.4
461.32669	57.5
462.32977	2.6
479.33444	3.1
545.88080	1.4
658.21545	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	1.3
55.01862	1.9
55.05515	5.1
57.03425	1.9
58.18134	0.6
59.05003	1.4
61.02926	4.8
61.77285	0.6
67.05516	3.7
69.03426	1.6
69.07073	0.8
69.31193	3.2
69.31604	1.4
69.55109	0.7
70.06598	6.0
71.01370	0.8
71.04980	0.7
71.93491	0.6
72.08164	3.3
73.02908	2.5
73.48198	0.6
79.05483	2.7
81.03416	2.0
81.07059	6.2
83.04984	1.0
83.08626	5.7
84.04524	1.0
84.08138	2.8
85.02917	7.1
85.06544	0.9
86.09720	3.6
91.03967	5.4
91.05500	8.9
93.07045	6.4
95.04963	1.7
95.08603	2.1
97.02895	5.3
97.06509	1.4
99.00816	10.8
102.05548	0.8
103.05519	0.7
105.07065	4.9
107.04977	3.1
107.08625	3.1
109.02908	5.8
109.06555	0.6
109.10156	1.9
111.04446	1.7
111.08090	2.7
115.03926	1.5
116.07081	1.4
117.06973	1.0
119.08612	4.2
120.08073	0.8
121.06497	2.7
123.04442	1.2
123.11697	1.0
125.05953	0.7
127.03962	3.2
129.10269	1.7
133.06490	0.6
133.10139	18.0
135.08061	0.9
135.11647	0.8
136.07605	0.9
137.06012	2.0
139.07520	2.8
143.08554	2.1
145.04950	2.4
145.06499	1.2
147.04410	0.7
151.11197	5.7
161.09634	12.4
163.06003	3.3
167.49568	0.6
171.08044	2.1
179.10667	6.8
189.09125	7.0
197.11729	1.8
203.06615	0.6
207.10274	3.3
225.11258	10.6
243.12363	3.5
275.74445	0.6
281.13861	4.4
299.14911	100.0
300.15454	2.4
317.15918	3.1
461.20261	1.9
470.94827	0.8
617.11115	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29744	1.1
59.94859	1.3
70.75555	4.4
103.38693	1.3
184.07410	1.3
211.12282	1.6
221.10706	1.7
233.10788	2.2
234.11662	2.1
235.12421	1.8
249.13705	3.0
257.10760	1.2
259.12405	1.6
261.13837	2.7
272.12100	1.3
275.15579	1.7
286.13608	1.6
307.17627	1.5
314.16626	3.0
316.18427	1.6
318.15887	1.6
324.14822	1.4
326.16360	2.3
336.14725	1.6
338.16498	1.5
348.13318	1.7
349.15173	1.7
351.16272	1.7
352.18069	2.8
364.17249	1.6
365.17944	2.9
376.17630	1.5
377.17740	5.1
378.18689	3.2
379.19370	4.2
389.17883	1.7
391.19565	6.3
392.20557	2.2
393.17010	4.5
394.21805	1.9
395.22498	2.3
405.20786	4.4
406.21561	2.3
407.18393	4.6
407.22470	3.7
408.19119	5.5
409.20212	7.5
418.17621	1.4
419.18542	2.1
420.19495	1.5
421.19592	6.5
422.21198	3.7
423.21848	21.9
424.20587	1.7
433.20071	4.7
435.22321	7.4
436.22357	3.5
437.23264	4.9
446.20837	2.3
448.19543	2.4
449.23242	5.0
450.24039	4.3
451.21246	4.8
452.21957	1.4
454.20059	3.7
461.23758	7.4
463.21210	2.8
464.21698	2.7
465.22867	3.1
466.21671	2.5
467.24167	4.4
468.25397	2.6
469.25629	1.7
477.23245	6.7
478.23865	3.1
479.24057	6.2
480.22879	2.6
481.21951	4.0
491.20728	2.3
493.21313	6.6
494.27017	7.3
495.23593	16.1
496.24399	4.5
504.24722	2.0
508.24844	14.4
509.25729	8.6
510.26465	11.9
511.27393	11.5
516.24670	1.7
519.23846	2.9
521.25122	5.4
522.25922	4.6
523.23383	5.0
525.28198	1.7
526.29059	3.6
537.25079	21.9
538.25623	9.8
539.25903	1.7
549.24469	1.9
553.28546	12.6
555.25977	3.0
565.24219	4.9
566.25397	1.8
570.28284	6.2
581.27612	30.2
582.27026	1.3
583.25281	7.0
597.27130	60.3
598.27710	11.1
607.25549	2.3
613.30237	76.0
614.30554	2.1
625.26581	100.0
626.26801	4.2
657.28748	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	657.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90560	0.9
54.81366	1.1
55.05507	2.0
59.04979	2.9
66.34214	1.0
67.05498	4.0
71.50888	1.5
79.05486	2.2
81.07045	4.0
89.06070	1.3
91.05451	1.4
93.07043	2.6
95.08612	2.4
105.07069	1.6
107.08592	2.5
109.10143	1.8
119.08579	1.3
121.10129	1.3
123.08003	1.2
135.11655	1.6
163.43483	1.1
179.14363	2.2
180.14656	1.1
208.71631	1.0
242.70216	1.2
303.23105	2.1
304.23599	2.7
343.03738	1.1
405.20862	1.4
412.16611	1.9
413.17307	2.0
419.22565	1.1
420.22803	1.1
427.19073	3.1
428.19931	1.4
441.19153	3.8
442.21866	1.2
448.14578	1.6
449.15134	3.0
454.18204	1.2
455.19522	1.9
463.16766	2.1
477.18423	4.6
479.16196	1.5
483.21719	1.6
484.22482	2.4
487.21335	2.1
491.20517	1.7
492.20883	1.6
493.17993	5.9
505.17920	1.5
506.18311	3.4
510.17999	2.2
519.19482	7.3
520.19910	1.6
523.19202	1.7
534.17780	2.1
537.20184	2.5
545.41876	1.7
547.18958	2.3
548.18604	1.3
551.22113	4.8
563.22137	1.8
579.21692	38.4
607.21155	16.7
625.21887	1.3
639.23730	100.0
640.23474	4.8
656.49316	3.3
657.24603	28.7
657.49689	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	655.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04665	1.0
55.05510	3.5
57.03429	4.5
57.07081	36.7
61.02935	7.0
67.05508	12.5
69.03416	1.2
69.07071	7.7
71.05007	1.0
71.08636	29.9
73.02911	2.4
75.04485	1.8
79.05499	1.9
81.07067	15.2
83.08630	12.3
85.02911	8.9
85.10194	18.1
87.85782	1.1
88.12720	1.2
89.06049	1.0
91.03953	9.5
93.07050	1.3
95.08611	22.9
97.02891	5.8
97.10193	5.7
99.11739	1.8
103.07564	1.1
107.08582	1.4
109.10156	11.6
109.37633	1.1
112.27755	1.2
123.11691	6.4
125.13285	1.5
127.03925	4.5
145.04971	3.9
148.07602	1.7
149.13168	1.1
163.06038	4.5
172.77184	1.2
212.64009	1.1
221.22655	1.5
235.08688	1.4
239.23715	28.6
253.13409	1.7
257.24747	4.5
293.12793	2.4
311.14081	1.6
313.27386	100.0
314.27664	3.3
320.33163	1.2
325.35696	1.3
331.28494	12.3
353.10782	1.4
362.17181	1.2
447.21960	1.6
475.21359	1.8
475.32590	2.7
489.23233	2.0
534.22174	1.3
548.24225	2.0
549.25201	2.0
562.21674	2.0
568.26740	1.5
577.24518	24.2
578.24750	2.3
595.25446	2.4
605.23364	2.1
613.25897	1.6
623.25140	4.1
637.26746	9.1
655.27429	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	655.313
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73119	0.3
59.04987	0.6
70.56940	0.9
78.03095	0.4
79.05483	0.4
81.07057	0.5
91.05503	0.4
106.35486	0.3
107.08630	0.4
109.12830	0.3
169.14915	0.4
188.74356	0.3
243.60719	0.4
261.13989	0.5
286.39810	0.3
311.13992	0.4
379.19266	0.3
390.18616	0.4
391.19229	1.5
392.20139	1.0
393.20651	0.5
405.17114	1.5
405.20935	1.2
405.25491	0.4
406.22018	0.5
407.18317	0.4
407.22543	3.8
408.23309	0.6
418.18042	0.9
419.18253	3.1
419.23477	0.4
420.19443	1.3
421.19946	1.4
432.19482	0.7
433.20697	4.8
434.21124	5.0
435.21793	8.4
436.22174	0.6
447.17831	1.6
447.22229	2.1
448.18228	0.5
448.23599	0.7
449.19247	1.7
461.19678	1.2
461.24332	0.8
462.20316	3.9
463.21292	3.9
465.22885	0.4
475.21680	1.8
476.22107	1.3
477.23294	2.0
479.20718	0.6
489.22864	1.2
493.21680	0.6
493.26953	0.6
494.22720	0.5
495.24088	1.2
505.22266	0.6
506.23367	0.5
507.24057	1.3
508.24817	2.4
509.25198	1.6
518.23376	0.5
520.22302	0.4
521.25720	10.6
535.26691	0.6
549.25037	17.3
550.25580	0.8
553.24005	1.8
563.26886	3.3
564.27283	1.0
565.24377	0.4
567.26453	0.5
577.24683	1.1
580.24823	0.5
581.27771	3.0
595.29370	8.3
596.29242	0.5
607.29169	0.8
609.27075	10.1
610.27509	0.5
613.27155	0.4
623.28369	1.9
655.31293	100.0
656.31543	3.4
661.26337	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94323	1.9
56.36713	2.1
56.78205	2.2
57.03440	3.0
57.07061	8.8
59.05003	29.7
67.05490	6.1
70.10138	5.9
79.05484	4.5
81.07059	4.0
83.04972	6.2
89.06031	5.2
93.07041	4.2
95.08607	4.4
105.07014	2.5
109.10160	2.4
117.06989	2.8
117.09111	8.7
118.08960	2.0
119.08540	2.2
120.39735	2.0
121.10050	2.1
133.08638	2.2
138.79042	2.1
147.11696	3.9
148.12003	2.8
152.81912	2.0
159.08090	2.4
163.11195	2.1
176.09964	2.4
202.04979	7.0
233.15402	7.0
234.07620	10.7
237.13930	3.8
290.12872	2.8
304.14606	3.6
307.90576	2.1
316.14194	2.0
318.16031	7.7
319.16779	6.8
333.18381	3.2
334.18976	5.6
337.02347	4.6
338.02560	4.8
346.19098	2.4
392.19653	6.0
393.20401	8.8
394.08957	2.7
403.19208	3.3
404.19992	2.7
405.20801	2.6
406.21146	9.4
407.22061	2.6
415.19473	3.5
417.20477	4.1
419.22195	3.7
420.22931	7.8
421.18597	3.0
421.23904	17.9
425.19635	2.5
431.22726	3.0
432.23431	2.2
433.23807	7.2
434.24487	11.1
445.24390	2.8
447.17685	3.5
449.19580	2.5
459.21576	3.5
460.22116	3.2
461.23636	3.1
462.20200	4.4
463.21115	7.0
473.23239	5.8
474.24054	2.3
475.21683	4.1
477.22922	19.6
487.25034	5.8
491.24194	4.4
506.26337	2.8
509.25369	6.5
514.38586	2.4
535.23193	8.9
543.36523	4.1
545.25116	8.1
547.26880	20.1
549.25031	11.5
550.25751	17.2
564.27362	3.2
579.29559	6.5
582.24658	11.2
591.25977	10.5
595.29181	28.0
605.27679	16.7
606.27942	4.7
623.28705	100.0
624.28424	4.8
638.30548	16.3
655.30621	46.7
655.41547	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	655.2768
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
57.07068	0.9
59.05006	1.0
67.05496	2.1
69.07070	0.7
71.04974	0.8
71.08643	0.7
71.50602	0.8
79.05503	1.5
81.03444	0.6
81.07049	2.2
83.99783	0.7
84.73724	0.6
91.05507	1.3
93.07025	1.1
93.93057	0.6
95.04982	0.8
95.08609	0.9
97.83524	0.6
105.07053	1.5
107.08611	0.7
116.71110	0.6
118.93503	0.6
119.08658	0.8
145.10141	0.7
148.23817	0.6
158.93933	0.7
198.11362	0.8
206.16072	0.6
211.08717	0.6
211.12318	0.8
213.25951	0.7
216.12462	2.0
218.83029	0.8
221.10747	1.0
223.01282	0.7
225.10349	0.8
225.13773	0.7
227.11874	0.8
237.68393	0.7
252.36916	0.7
265.13199	0.7
274.13449	0.8
290.16531	0.9
298.13300	0.7
302.13403	0.7
302.16739	0.9
311.14145	0.7
314.12784	0.9
316.18021	0.9
328.14304	0.9
329.15271	0.7
340.14679	0.9
364.17783	0.9
366.16235	0.7
377.17740	2.1
379.19177	0.7
390.18283	0.9
391.19293	3.4
392.19934	1.7
393.05270	0.7
393.20761	1.4
398.14938	0.6
403.19595	1.5
404.15875	1.1
404.20523	1.1
405.16614	3.8
405.21622	1.2
406.17484	1.1
406.22208	1.4
407.22638	4.8
417.16751	1.0
417.21481	1.0
418.17999	2.3
418.22491	1.0
419.18365	7.5
420.19537	2.2
421.20251	2.4
432.19623	1.7
433.20663	12.6
434.21262	6.8
435.21948	7.3
440.16046	0.8
445.20337	1.3
447.18201	4.4
448.18478	1.0
449.19785	2.6
458.17194	1.2
461.19818	2.6
462.20410	4.1
463.21399	5.1
465.19266	2.2
475.21979	1.5
477.19257	1.0
479.20779	1.2
489.18970	1.0
490.19986	1.1
491.20886	2.3
493.21881	0.8
503.20938	1.1
504.21530	0.9
505.22583	1.3
507.20786	1.1
517.22339	1.2
520.24426	1.1
521.25800	9.8
523.27307	0.9
535.23267	1.8
537.24780	1.4
548.23309	0.8
549.25085	13.1
551.22205	0.8
552.23468	1.1
559.23224	5.1
561.25549	1.4
563.23022	3.0
564.23480	1.3
565.24518	2.0
577.24591	14.0
578.24329	0.9
581.27271	1.2
595.25305	5.4
605.23938	14.3
609.27014	3.0
619.25720	2.2
623.24915	2.4
637.26550	43.0
638.26764	1.7
654.48016	1.0
655.27637	100.0
656.27856	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	655.2766
Annotation	Swietephragmin F
Peak:m/z	Relative Intensity
55.05499	4.0
57.07081	4.6
59.04990	1.4
61.87127	0.8
67.05508	1.9
69.07079	1.1
69.92415	1.7
69.92805	2.8
70.06596	0.9
79.05460	1.0
83.04994	18.7
85.21933	0.8
89.06007	1.1
91.05475	2.5
93.07071	1.9
95.08594	1.2
96.39053	0.8
98.98473	1.3
105.07033	2.2
105.12591	0.8
106.99323	0.9
119.08553	1.1
128.06252	1.2
129.06979	1.9
133.10129	1.6
141.06973	1.6
143.07330	0.9
147.08049	1.8
147.11647	3.3
157.07607	1.1
175.01572	7.8
181.02614	15.6
209.10898	1.2
221.10728	1.5
223.12306	1.3
225.13898	1.6
227.04672	4.9
235.12347	1.8
237.13785	2.1
238.14716	1.3
239.15497	1.3
245.11111	1.0
247.12158	1.1
249.14055	1.4
251.15456	1.9
257.05798	2.4
261.14053	1.1
303.15073	1.3
304.15768	1.2
313.12018	9.0
314.16516	1.0
339.33786	1.0
340.18079	0.9
365.17758	1.0
369.18402	4.4
373.14673	1.3
381.21075	1.0
389.17719	1.4
391.19397	1.2
393.20660	1.7
403.19046	3.0
404.20135	1.8
405.21313	1.5
406.17758	1.2
407.18649	1.4
417.20602	2.9
418.21399	2.8
419.22583	2.2
420.15341	1.0
421.20334	1.5
431.18781	1.4
432.23401	2.3
433.16568	2.9
433.24310	5.9
434.17358	1.9
435.22491	1.1
435.77591	1.0
437.23651	1.6
445.20203	2.1
447.17603	1.8
448.19336	2.7
449.19681	3.1
453.22549	1.1
458.16568	1.6
459.22003	1.1
461.19830	3.5
462.20459	2.9
463.21487	14.6
464.22040	1.8
471.17880	1.2
472.18469	1.1
473.19080	1.0
475.21411	1.6
476.21896	1.8
477.18484	10.7
479.24234	3.1
480.21408	1.3
481.21692	1.8
487.21121	3.0
489.19061	1.6
490.23602	1.2
491.20007	2.7
491.24200	3.8
492.26379	4.1
501.22900	11.7
502.23596	1.7
503.20618	1.9
505.25949	1.1
506.19891	1.2
506.27057	1.8
507.20117	1.6
508.22391	1.3
509.25336	2.1
519.23590	1.7
521.21924	2.5
529.21887	1.5
533.25531	11.2
535.23175	7.4
536.23834	3.4
539.25427	0.9
543.19055	8.4
547.23151	3.8
549.21735	1.7
550.25946	5.7
551.26654	6.5
553.24280	2.3
561.25104	3.1
563.21716	1.0
564.23657	1.2
565.28149	54.9
566.28027	2.5
568.24811	1.7
577.24390	2.3
578.24957	2.6
579.25958	11.1
580.23969	1.3
581.24298	1.3
583.29059	6.4
585.27118	2.9
593.27936	6.5
594.24768	1.7
595.25714	5.7
599.16516	1.4
599.25439	18.3
605.24268	2.1
609.27069	20.2
611.29352	6.5
612.25781	1.6
613.26465	7.2
623.25043	14.4
627.27875	1.9
637.26801	8.1
640.37378	1.2
655.27545	100.0
656.27716	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	655.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53636	1.6
50.53877	1.4
55.05502	6.2
57.03403	1.6
57.07064	5.5
59.05000	5.2
62.33948	1.7
67.05484	5.5
69.07066	2.6
69.56573	11.2
74.63644	1.9
79.05505	11.9
81.03422	4.2
81.07050	7.7
83.04985	18.7
83.08601	1.9
86.40488	1.8
91.05486	5.2
93.07038	5.7
94.06544	3.2
95.04977	2.0
95.08618	4.0
105.07037	5.3
107.08582	4.1
109.10154	2.8
118.06551	1.8
119.08570	2.7
120.08119	3.7
121.10152	3.4
125.09672	1.5
128.06190	2.4
129.07011	5.3
131.08585	2.3
133.10158	2.8
134.06020	13.5
137.05969	3.0
143.08549	1.9
145.10089	2.6
146.05925	1.8
147.08072	1.8
147.11697	4.9
148.07574	2.2
155.08577	2.0
167.79361	1.5
169.07620	2.1
175.01616	8.7
181.02618	11.9
195.11867	1.7
199.08626	2.7
202.76723	1.7
206.90419	1.6
207.09117	8.2
208.09953	4.3
209.10742	7.0
210.11443	3.1
211.12372	2.1
219.09081	2.1
221.10725	8.5
222.11545	7.7
223.08508	3.1
223.12271	5.0
224.13103	6.6
225.10335	3.6
225.13942	8.8
227.04709	6.1
231.09262	2.2
232.09993	35.1
233.10661	3.7
234.11438	2.2
235.08653	5.1
235.12273	5.9
236.09280	2.0
237.10251	3.3
237.13876	8.3
238.14738	2.5
239.11600	1.9
239.15439	4.5
246.11635	1.7
247.08623	3.0
247.12337	37.3
248.12978	3.5
249.10237	5.5
249.13884	6.2
250.10989	2.9
253.13377	3.7
254.17578	3.0
262.14627	2.4
263.11783	3.0
264.08701	1.8
265.09833	1.9
265.13364	8.8
267.14914	19.1
268.12030	3.1
269.09427	1.8
270.13562	3.8
275.08063	3.9
275.11761	6.3
277.09622	5.9
281.12936	2.8
283.06873	1.9
283.14474	4.2
291.11252	2.0
293.12848	96.5
294.13080	1.9
300.14935	2.4
303.07700	18.4
311.10294	2.6
311.13901	53.1
312.14728	2.3
313.08441	2.6
313.12000	8.3
324.11340	1.8
325.11987	3.0
326.12952	3.4
327.13501	2.0
329.11392	3.5
331.07144	7.2
339.13535	1.8
340.14395	6.0
350.12732	2.0
351.09552	2.0
354.12335	2.8
355.09116	2.5
357.10910	3.5
363.09744	16.7
366.12305	3.3
367.13171	2.7
368.13864	6.6
369.18137	3.2
382.15509	2.3
384.17294	2.4
386.27615	2.1
394.12073	1.9
396.12976	2.0
405.16660	2.0
410.15167	3.1
411.15582	2.1
427.15067	3.4
428.16074	5.2
441.17020	2.6
442.17371	2.6
444.19290	2.7
455.14758	3.1
457.20288	3.5
458.20538	1.7
460.18909	2.1
461.19223	2.9
469.16556	5.2
470.17087	7.5
471.21646	2.1
472.18677	5.3
475.21338	2.2
485.19531	5.2
486.16943	2.7
489.23065	4.6
491.20737	2.5
498.16638	4.5
499.21335	11.2
500.21976	4.0
501.19000	2.3
502.19257	1.8
503.20706	5.7
504.21176	2.0
516.17694	34.1
517.22766	10.6
522.22272	2.3
525.24646	2.1
527.20911	22.2
528.21564	4.7
530.19141	4.8
531.23389	2.7
543.17609	3.4
543.23950	7.3
545.21765	5.0
548.20380	4.5
553.24103	2.6
555.20007	2.8
559.23322	6.8
577.24658	2.7
581.24115	5.5
585.27039	10.1
587.22900	100.0
588.23248	2.9
595.25897	6.5
599.25372	15.2
605.24115	15.1
611.28149	4.6
613.26422	13.9
619.25531	78.8
620.25134	4.6
623.25006	23.4
627.28345	8.6
637.26660	19.3
655.27826	37.6
655.40698	3.2
666.47308	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	655.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28977	2.3
55.05506	8.6
57.07077	3.5
59.05009	21.9
67.05500	9.9
69.07076	6.7
71.50825	2.6
79.05491	9.5
81.03415	2.8
81.07077	10.4
83.05013	2.6
83.08632	3.8
89.06046	4.3
91.05471	7.1
93.07056	11.7
95.04972	2.7
95.08621	7.3
96.14839	2.2
96.25428	2.3
97.10192	3.7
105.07037	5.5
107.08601	4.7
109.06535	3.0
109.08558	2.2
109.10158	4.8
117.09166	6.0
119.08605	8.7
121.10161	7.0
123.08116	3.7
125.09647	3.4
131.08546	3.9
133.10156	4.9
135.11674	3.8
142.22826	2.2
145.10170	3.4
146.07162	2.3
157.10124	2.2
160.41728	2.4
173.13283	2.3
179.14345	3.0
227.12715	3.1
251.14905	2.4
273.14105	2.4
287.14944	2.1
293.50192	2.3
310.31113	8.0
311.25839	6.7
390.18365	3.3
400.12537	2.3
400.20795	2.5
403.19427	3.8
404.85562	2.1
405.21030	3.6
407.18484	3.3
414.20090	2.6
415.15784	4.7
417.17297	2.4
419.22812	3.9
420.19601	4.3
421.20251	6.3
422.20724	3.1
433.20441	5.3
434.21008	3.4
435.21954	27.7
436.22647	19.6
437.23502	7.2
448.22800	5.3
449.23465	31.0
459.21729	3.3
460.22571	2.9
462.20126	3.8
463.21234	8.7
464.22125	3.3
476.22110	8.6
477.22769	10.0
479.20663	4.9
484.00333	2.4
491.24423	4.3
493.21857	6.5
495.23785	4.5
507.23767	3.3
508.24902	11.2
509.25580	64.6
511.23590	2.6
519.23877	6.3
523.27167	13.6
524.27899	6.7
535.23553	3.5
536.23907	3.9
551.26581	18.8
567.26147	4.5
568.26886	60.8
579.26288	6.5
595.25549	100.0
596.26123	3.2
611.28723	23.9
623.25073	32.8
627.27332	2.4
655.27594	45.1
655.49139	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	655.2764
Annotation	Cryptophycin 1
Peak:m/z	Relative Intensity
55.05516	1.2
57.07081	1.3
59.05010	1.6
67.05511	1.1
69.07058	0.8
79.05510	0.9
81.07050	1.0
83.04978	7.1
91.05467	1.3
95.08578	1.3
107.08579	1.0
109.10147	1.2
129.89128	0.5
132.08109	0.8
147.11639	1.2
162.39674	0.8
174.09132	0.6
175.01573	4.0
181.02661	5.4
221.10789	0.9
222.11522	0.7
224.13091	1.1
225.13930	1.4
227.04704	1.8
229.00024	0.9
233.10863	1.1
237.13905	2.6
239.15457	1.5
240.16212	0.7
247.12387	0.9
249.13818	0.8
261.14041	1.1
276.12396	0.8
283.10773	0.9
287.15302	0.7
313.12003	3.6
338.16455	0.8
352.17850	0.7
369.18506	1.3
377.17743	0.9
379.19165	0.8
389.18140	1.2
390.18692	0.8
391.19727	1.1
393.20999	1.4
403.19217	1.5
404.20169	0.9
406.17783	0.8
407.18567	1.1
416.19827	0.9
417.20880	2.4
418.21606	1.9
420.15509	1.6
421.19995	1.7
430.17749	0.8
431.17892	0.8
432.23566	1.5
433.16116	1.4
433.24576	3.4
434.17493	2.2
435.21893	2.1
436.22766	0.9
445.20242	1.5
447.17691	1.3
448.19189	1.9
449.19214	3.6
460.15677	0.9
460.21930	0.8
461.18918	1.3
462.20593	1.3
463.21664	9.8
464.22421	0.7
468.26138	0.9
473.23526	1.5
475.21851	1.6
476.22046	3.2
477.18518	9.4
478.23923	1.0
479.24176	2.2
480.21600	1.5
481.22623	1.5
484.22461	0.8
486.20184	0.8
487.21442	1.6
489.19159	1.3
491.25241	4.1
492.25119	2.4
493.22998	1.0
501.22897	8.5
502.23657	1.0
505.22470	1.0
507.20682	1.4
509.25388	0.9
519.23950	1.5
521.17755	1.3
524.27509	1.3
533.25598	6.2
535.23230	7.0
536.23822	1.4
543.18732	4.1
547.23358	3.0
549.21094	1.0
550.26013	3.1
551.26764	6.9
561.24811	2.3
565.28137	41.1
566.28601	1.8
567.26093	1.1
568.23364	1.1
577.24567	1.0
579.26129	9.0
581.24078	1.1
583.29230	6.9
593.27472	2.6
594.24713	2.0
599.25409	6.5
609.26740	3.9
611.28546	5.7
623.25085	12.1
627.28149	1.6
637.26105	1.9
655.27582	100.0
656.27759	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	653.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
61.36242	0.4
63.41352	0.4
74.64495	0.4
81.07067	0.5
93.07048	0.9
95.08621	0.9
98.20810	1.0
105.07048	0.5
107.08604	0.9
109.10162	0.7
119.08596	0.6
123.11726	0.4
138.43152	0.4
145.10042	0.6
173.13100	0.4
180.98695	0.4
201.03751	1.7
203.05246	1.9
330.47458	0.4
376.54724	0.5
439.08963	0.4
473.28745	5.6
473.40631	0.5
475.30325	24.2
476.30518	0.6
653.35083	100.0
654.35559	3.5
683.56519	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.8
57.07078	0.6
59.05012	0.4
61.81041	0.3
70.06600	0.4
75.04490	2.1
79.05455	0.4
83.04978	1.8
91.23625	0.4
98.20785	0.7
105.07064	0.6
116.07121	0.5
137.45406	0.4
154.59134	0.4
175.01590	1.3
181.02690	1.7
195.14143	0.4
209.10828	0.4
224.06627	0.4
279.61176	0.4
313.12076	1.0
329.13998	0.4
378.18402	0.5
389.17804	0.9
390.18005	1.1
392.20267	0.6
402.18265	0.5
403.19244	1.5
404.19733	2.2
405.20737	2.7
406.21274	0.6
407.22092	2.0
416.19211	0.9
417.20752	1.3
418.16345	1.9
418.21481	1.5
419.22208	2.1
420.23276	1.9
421.24118	0.5
430.20618	0.8
431.22842	0.5
432.18036	3.6
432.22949	0.4
433.19073	4.1
433.24109	2.1
434.23709	5.3
435.18109	0.5
435.23883	0.4
446.19199	3.3
447.20538	6.0
448.21454	7.1
449.19965	1.1
450.20422	0.7
451.21738	0.5
460.21719	0.5
461.22287	2.5
462.22946	32.6
463.21637	3.7
464.22375	0.9
465.23007	1.4
474.19263	0.5
475.24915	1.0
476.21515	0.4
477.22916	1.7
478.17972	0.5
478.23773	1.1
479.24619	4.4
486.20874	0.6
487.21033	0.5
490.22253	2.0
491.24045	1.9
492.19232	0.7
492.25925	2.5
493.26257	0.6
500.24988	0.7
501.22903	2.9
502.25876	1.2
506.21832	3.3
516.24445	1.1
517.24786	3.9
518.25586	2.7
519.24042	4.1
520.23511	2.8
532.27350	0.7
533.25922	0.5
534.25348	2.2
535.25873	10.7
536.26038	0.9
537.25073	1.2
543.19049	0.9
546.25897	0.5
551.26569	14.0
552.27325	3.0
553.27484	0.9
562.24683	6.7
563.25256	1.8
578.27173	0.9
594.27179	10.5
595.27661	0.6
599.25684	1.9
622.26642	14.0
624.28845	0.4
654.29309	100.0
655.30029	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	653.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.4
71.50984	0.4
71.72119	0.3
81.07043	0.7
85.02943	0.4
89.69892	0.3
90.48059	0.3
93.07085	0.3
95.08580	0.8
105.06992	0.6
107.08598	0.5
109.10178	0.5
119.08587	0.4
121.10223	0.3
159.11742	0.4
161.96263	0.3
201.03770	1.4
203.05267	2.0
229.03427	0.4
277.21786	0.3
305.95187	0.3
473.28815	7.1
475.30368	25.3
476.30655	0.8
577.74792	0.4
653.35107	100.0
654.35449	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	653.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80151	0.8
53.71675	0.7
55.05526	1.6
56.38202	0.6
57.03432	0.8
59.04993	1.8
67.05511	2.5
69.07066	2.0
70.50632	0.8
71.08620	1.1
71.51357	1.2
79.05502	2.6
81.03427	1.3
81.07068	2.0
83.08654	1.1
83.32774	0.8
90.60081	0.8
91.05482	1.7
93.07032	2.2
94.07401	0.7
95.08630	1.8
105.07053	1.7
107.08612	1.2
109.10163	1.8
118.06571	0.9
119.08591	1.3
120.08127	2.8
121.10175	1.4
122.59943	0.7
129.07071	1.1
133.10165	1.1
134.06052	1.1
182.08464	0.8
204.06656	1.4
209.10794	1.3
225.10393	2.1
234.82274	0.8
235.08823	1.1
237.10271	2.0
249.10423	1.1
251.11977	1.4
253.13583	2.0
279.11423	0.8
285.16180	0.9
309.12103	0.9
311.14035	1.5
314.13245	1.2
326.12790	1.9
327.13873	1.0
328.14685	0.8
328.81833	0.8
337.11801	1.2
338.12909	1.8
340.14709	1.8
345.28445	0.9
352.14893	1.5
353.10843	0.8
353.15393	1.1
356.14157	0.9
366.12405	1.3
368.14108	1.3
369.14478	1.3
380.13873	1.7
384.13379	1.0
387.16345	1.1
389.17917	1.4
391.19403	1.6
398.15359	1.4
400.16919	0.9
401.13727	1.0
401.18433	1.3
402.18762	1.8
403.19467	2.3
404.16125	0.8
405.21103	3.1
414.18552	1.3
415.19559	1.5
416.16574	1.8
417.21365	2.1
418.17682	1.9
419.18176	1.3
419.22916	1.3
420.23251	5.7
429.17093	1.3
430.17847	1.7
430.93896	0.9
431.18405	6.4
432.19443	3.0
432.66833	0.9
433.20209	6.1
442.17456	1.3
445.20593	2.2
446.21344	7.8
447.21954	6.6
448.22903	5.4
458.17444	1.1
459.17975	2.5
459.22754	1.2
460.22717	1.1
471.18347	2.4
473.19473	1.3
474.20554	1.9
475.21594	3.2
484.15323	1.5
486.20511	1.9
487.21747	1.2
501.23352	1.1
505.22562	1.2
517.22626	1.5
518.23297	1.2
519.23956	3.0
529.22540	1.3
533.25659	6.6
534.26929	2.2
535.23389	1.7
546.22528	5.3
547.23120	1.5
561.24957	28.1
562.25653	1.5
563.26715	3.4
579.25934	1.8
589.24213	5.9
593.27612	29.7
594.27625	1.4
611.29132	1.2
621.27124	100.0
622.27600	8.4
623.28949	2.1
635.25238	2.2
653.29675	37.8
654.29956	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	653.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04974	1.5
63.94783	0.5
64.61093	0.5
81.07025	0.9
82.13107	0.6
93.07040	0.7
98.21619	1.1
104.25281	0.6
119.08538	0.6
139.04297	0.6
141.14114	0.6
145.10077	0.7
146.05952	0.6
197.10698	0.7
208.09923	0.7
209.10794	1.0
221.10667	1.1
222.11479	0.7
225.13658	0.8
229.43039	0.7
235.12299	0.7
237.13873	0.7
249.13861	0.6
300.14987	0.8
311.14111	0.8
312.15198	0.7
314.16595	0.7
326.16483	0.9
328.18216	0.8
356.13736	0.7
371.16125	0.8
375.16168	1.0
376.17273	0.6
388.17657	1.0
389.17798	1.8
390.18420	2.5
391.19211	2.3
400.20480	0.8
402.22092	1.1
403.19760	3.5
404.20151	5.6
405.15765	1.2
405.20789	14.2
406.21368	1.1
414.21857	1.3
415.19495	1.0
416.20966	0.7
417.21429	3.0
418.21564	2.4
419.22421	9.4
420.23160	5.0
429.21448	1.0
430.17560	0.9
431.22360	2.2
432.22906	1.7
433.24045	8.1
434.18701	0.8
434.24603	3.9
435.18134	1.8
444.19498	1.0
445.19907	1.1
447.21127	3.8
448.18927	0.8
448.26263	0.8
449.19437	7.7
450.20355	3.3
452.22110	0.9
459.21729	2.4
462.20352	1.4
463.21307	7.9
464.22015	4.9
465.22968	2.6
473.18878	1.2
475.20972	4.2
476.22610	1.4
477.23016	6.0
478.23642	4.5
479.24460	42.4
480.24976	1.5
486.20261	1.2
487.21490	5.9
489.23227	0.9
491.20523	2.8
491.24673	2.6
492.25699	2.8
493.26135	2.7
501.23364	5.9
502.23892	2.3
505.26678	1.4
506.26883	1.2
507.27661	22.5
508.28131	1.0
518.22955	0.8
519.24335	4.2
521.22003	1.1
531.20532	0.7
533.25543	6.0
535.23083	0.7
536.24152	0.9
537.25037	12.7
539.26807	1.2
545.21820	0.7
551.26556	38.2
552.26868	1.8
560.24255	1.3
561.25061	8.7
562.26312	1.2
563.22925	1.9
565.28143	21.2
566.28912	85.7
567.29053	3.4
575.26691	2.3
593.27753	11.6
603.25397	0.8
621.27039	18.5
622.27136	1.1
625.30206	1.0
635.28668	5.3
638.27026	0.8
653.29742	100.0
654.29681	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	653.2974
Annotation	Haplophytine
Peak:m/z	Relative Intensity
53.40563	0.5
55.05502	0.8
59.04998	1.1
67.05503	1.1
69.50295	0.5
71.11176	0.9
74.30694	0.5
79.05492	0.9
81.07056	1.2
83.08620	0.6
93.07095	0.6
95.08594	1.1
97.10165	0.8
105.07047	0.8
106.06564	0.5
107.08632	0.7
143.08481	0.6
376.17050	1.0
377.17740	0.9
389.18277	0.7
390.18607	0.7
391.19284	5.6
392.20221	2.8
404.20502	1.4
405.20792	8.7
406.21573	7.6
407.22507	0.8
417.21432	0.6
419.22455	3.1
420.23074	5.4
421.23877	11.0
433.19724	4.4
434.24875	1.6
435.18420	1.8
436.18854	2.5
445.20407	2.0
447.21384	0.8
448.22433	0.7
449.19760	1.5
449.27200	0.6
450.08237	0.6
450.20682	2.2
451.21475	1.8
452.22314	1.9
460.22562	3.0
461.23331	0.8
463.21780	1.0
465.22894	37.3
472.19409	0.8
473.19476	2.9
475.24670	1.7
478.23627	0.7
479.24454	8.6
480.25360	3.3
487.21497	1.9
488.21838	4.3
491.21051	1.8
492.21860	1.7
501.22971	1.2
503.24481	41.6
504.25354	1.6
505.22174	0.9
507.27493	3.9
533.25391	1.0
535.27087	34.9
536.27667	1.6
551.26813	5.4
561.25079	2.2
566.29108	1.7
579.26062	32.0
580.26660	1.2
593.27600	1.9
594.28339	14.8
595.28076	0.7
608.80713	0.6
621.27179	13.9
622.27771	0.8
653.29730	100.0
654.29932	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	653.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07011	0.8
57.07270	0.4
59.04938	0.9
67.05447	0.5
69.06995	0.7
69.42372	2.9
71.08537	1.0
73.02853	0.9
79.05410	0.7
81.06988	0.3
83.08567	0.5
87.04401	0.9
89.05926	3.7
94.06480	0.6
98.15363	0.4
118.06434	0.7
120.08033	0.7
133.07640	0.4
133.08575	2.3
134.05878	0.5
138.05371	0.5
158.09570	0.4
159.09116	0.4
172.03740	0.6
173.10612	0.5
177.11188	0.4
184.07162	0.4
194.08125	0.7
195.09113	0.9
196.09824	1.1
197.10609	1.4
204.06442	0.8
207.09082	1.0
208.09877	0.7
209.10710	1.7
210.11388	1.6
211.12186	1.4
212.12920	0.7
220.09877	0.5
221.10588	1.3
221.13867	0.4
222.11325	1.1
223.08499	1.1
223.12294	2.6
224.13040	1.4
225.10249	0.6
225.13858	4.4
226.14546	1.0
233.10611	0.8
234.11490	0.5
235.08531	1.1
235.12186	1.7
236.09363	0.7
237.10150	1.4
237.13918	2.8
238.14548	1.1
239.15262	1.1
247.08553	0.9
247.12158	0.7
248.09331	0.4
249.10263	2.7
249.13791	1.6
250.10809	0.6
251.08029	1.1
251.11729	1.4
253.13242	0.5
261.10284	0.4
262.14456	0.4
263.07983	0.9
263.11639	0.6
265.09732	0.5
265.13226	0.9
273.13745	0.5
275.08194	0.6
275.15338	0.9
276.16013	0.6
277.09650	1.7
277.12692	0.4
293.09143	0.8
293.12592	0.5
298.13422	0.5
300.14868	0.6
307.14783	0.4
309.12573	0.5
312.14871	0.5
314.12921	0.5
314.16531	0.6
323.13965	0.5
324.15021	0.5
325.11975	0.6
326.12878	0.6
328.14233	0.8
335.10162	0.5
336.11267	0.9
337.11920	1.9
338.12738	1.4
338.16458	0.6
339.13477	0.5
340.14316	0.8
341.11673	0.5
342.15967	0.5
349.12085	0.8
350.12720	0.6
351.13580	0.9
352.10623	0.5
352.14407	1.3
354.12302	0.7
354.16025	0.9
364.14505	0.7
366.12286	1.0
366.15982	1.1
368.13693	0.7
368.17676	0.6
374.16296	0.5
379.13269	0.5
382.11578	0.5
382.15842	0.5
385.43509	0.4
387.15958	1.1
388.16937	0.5
389.17896	0.8
394.15488	1.6
396.13245	1.2
399.16559	0.8
401.17749	1.3
402.18228	1.3
403.19254	1.5
404.16763	0.4
411.15707	0.5
412.16452	1.0
414.14676	0.6
415.15347	1.7
416.16104	1.5
416.20657	0.9
417.16916	1.5
417.21014	1.3
418.17899	1.2
426.18573	0.6
428.16336	1.0
429.17053	3.0
430.18060	2.3
431.17648	3.3
431.23029	1.5
432.19321	0.5
440.15738	0.5
442.13840	0.8
443.18570	2.4
444.20026	2.2
445.20398	4.1
446.20953	4.1
447.22049	3.9
454.17798	2.5
457.16293	1.3
458.21472	0.8
459.22369	6.3
460.22354	1.5
461.23676	0.6
471.18231	1.1
472.18710	1.4
473.18616	0.6
473.23499	1.6
474.19528	1.7
475.21094	2.6
481.35513	1.0
487.21466	9.2
488.22406	2.0
489.22974	0.8
499.17688	0.5
501.23041	5.5
502.23624	0.7
503.20532	0.8
504.21884	0.6
515.20630	2.6
517.22266	0.7
518.23212	1.7
519.24298	3.3
529.22534	3.6
531.20404	1.4
532.20898	0.7
533.25885	4.5
534.22638	2.0
535.23352	0.7
545.24780	0.5
546.22968	0.9
547.23529	2.6
561.25006	100.0
562.25360	5.2
589.24402	8.4
593.27856	1.2
621.27124	79.3
622.27563	4.6
653.29163	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10179	0.4
51.71170	0.4
69.07000	0.5
91.05440	1.0
94.06524	0.6
98.20618	0.7
109.06424	0.4
120.08011	0.6
127.55854	0.5
137.45822	0.5
146.05858	0.5
158.09523	0.6
169.08772	0.5
173.64745	0.5
183.09023	0.4
195.09091	0.5
196.09892	0.7
197.10706	0.9
207.09172	0.7
208.09843	0.7
209.10599	1.7
210.11459	1.5
211.12254	1.3
212.12987	0.6
220.09950	0.5
221.10645	1.3
222.11414	0.8
223.08594	0.5
223.12184	1.9
224.12947	1.3
225.10211	0.5
225.13884	4.9
226.14557	1.4
233.10677	0.7
235.12199	1.0
236.09404	0.6
236.13153	0.5
237.10153	1.4
237.13795	2.9
239.11398	0.5
239.15363	1.1
247.08485	0.8
249.10210	2.5
249.13870	1.9
251.08018	0.8
251.11699	0.8
263.08157	0.9
265.09500	0.6
265.13339	0.5
275.15475	0.8
277.09683	1.1
281.09293	0.4
309.12463	1.0
324.10922	0.4
324.14874	0.5
325.12585	0.5
326.12726	1.0
335.10245	0.5
337.11905	2.1
338.12805	1.1
339.13403	0.6
340.14359	0.7
350.12573	0.7
351.13681	0.6
352.14676	0.7
354.12238	0.6
354.16028	0.5
366.15991	1.2
370.15265	0.8
382.15826	0.6
386.15714	0.6
387.16116	0.7
388.16714	0.6
389.17413	0.9
394.15591	0.6
395.12268	0.5
396.13147	0.6
398.14856	0.5
401.17654	1.4
402.14194	0.6
402.18851	1.1
403.15079	0.7
403.19510	0.9
412.16611	0.8
414.15399	0.6
415.15244	1.8
415.19855	0.6
416.15833	1.0
416.20670	0.9
417.16434	1.2
417.20905	1.4
418.18079	0.5
426.18079	0.8
429.16953	2.8
430.17603	2.2
431.17902	3.5
432.19046	0.8
433.24094	0.4
443.19186	2.5
444.19580	1.4
445.20135	3.4
446.21011	4.6
447.21823	4.7
454.17862	1.3
457.15988	0.9
458.21396	0.8
459.22534	5.3
460.23010	1.2
471.18134	1.2
472.19095	1.3
473.19153	1.4
473.24393	0.5
474.20349	1.8
475.21289	3.8
486.19949	0.8
487.21387	10.7
488.21814	1.4
489.22827	0.7
501.22885	4.7
502.20111	0.8
503.20554	0.6
504.21292	0.8
515.20801	3.5
517.22406	0.9
518.22925	0.5
519.24274	3.9
529.22424	3.3
531.20477	1.3
533.25677	5.4
534.22278	2.2
535.22821	0.6
546.22504	0.9
547.23547	3.6
560.23529	0.5
561.24963	78.2
562.25256	3.9
589.24341	7.2
593.27722	0.8
606.24615	0.6
621.27069	100.0
622.27289	4.7
653.29181	2.1
682.73022	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56364	0.4
59.04949	0.9
67.02830	0.4
72.41874	0.4
79.05440	0.9
86.06627	0.4
118.06454	0.8
120.08052	0.9
129.43231	0.4
132.08026	0.7
138.05449	0.8
158.09517	0.5
173.10683	0.5
194.08276	0.6
195.09079	1.0
196.09789	0.6
204.06543	0.5
207.09100	1.1
208.09908	1.0
209.10771	2.2
210.11444	1.9
211.12225	1.5
220.09918	0.5
221.10725	2.1
222.11412	1.2
223.08640	1.1
223.12268	2.7
224.12981	1.4
225.10201	0.7
225.13879	4.4
226.14577	1.4
229.79799	0.7
233.10695	0.9
234.11525	0.6
235.08594	1.1
235.12227	1.4
236.09227	0.7
236.13016	0.6
237.10120	1.2
237.13878	3.3
238.14670	0.7
239.15338	0.8
247.08667	1.1
247.12325	0.7
249.10248	2.7
249.13882	2.6
250.11014	1.0
251.08115	1.4
251.11787	1.1
259.12421	0.5
263.08240	0.9
265.09448	0.8
265.13269	0.5
269.12729	0.6
275.08221	0.7
275.15250	0.8
277.09634	1.9
298.13254	0.5
307.10675	0.8
309.12167	0.6
312.11371	0.6
314.12827	0.7
324.11490	0.6
326.12854	1.1
328.14374	1.0
335.10486	0.8
336.11331	0.6
337.11807	1.8
338.12735	1.6
338.16458	0.7
340.14398	0.8
351.13611	0.9
352.14526	1.3
354.12384	0.6
354.16345	0.7
355.13675	0.5
366.15991	1.5
368.13898	0.8
370.15454	0.6
380.13669	0.7
387.16165	1.0
388.17154	0.9
394.15677	1.1
396.13498	1.7
400.17841	0.6
401.17673	1.4
402.18350	1.7
403.19229	2.0
412.16257	0.6
414.14774	0.9
415.15341	1.7
415.19366	1.7
416.16449	1.9
416.20782	0.9
417.16779	1.9
417.20825	1.9
426.18030	1.1
428.17242	0.8
429.16858	3.9
430.17807	1.4
431.17667	4.0
431.23068	2.0
432.19131	1.0
441.18097	0.6
442.19226	0.7
443.18579	2.0
444.19833	2.9
445.20407	4.1
446.21112	3.0
447.21970	5.3
454.17514	2.3
455.17798	0.5
457.15720	0.9
457.20969	0.7
458.21683	0.7
459.22388	7.4
460.22684	1.7
461.23456	0.8
471.17780	1.1
472.19058	1.8
473.18594	0.8
473.24146	1.3
474.20502	1.6
475.21118	2.9
486.20560	0.6
487.21500	10.8
488.22363	1.2
501.23288	4.3
502.21649	1.0
503.21057	1.6
504.21652	1.0
505.25842	0.6
515.20734	2.6
518.22760	0.6
519.23950	3.8
529.22150	2.7
530.22833	0.5
531.19775	0.6
533.25696	5.3
534.22687	2.0
546.22449	1.3
547.23535	3.0
561.25012	100.0
562.25372	4.7
589.24524	10.3
593.27289	0.6
621.27130	97.7
622.27393	4.9
635.27954	0.6
653.31226	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	653.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07055	0.8
59.05003	4.5
67.05515	1.8
69.07059	0.7
69.73878	0.8
70.99843	1.1
76.10754	0.7
79.05506	0.9
81.07074	1.5
91.05490	1.0
95.08633	1.4
105.07085	0.8
109.10138	0.8
149.34833	0.6
166.75084	0.7
180.64571	0.7
186.43152	0.6
195.33885	0.7
195.88876	0.6
197.64261	0.6
212.27809	0.6
218.12643	0.6
223.59470	0.7
259.53702	0.6
263.25571	0.6
322.84433	0.7
343.24673	0.6
398.88431	0.7
403.19342	1.0
415.19455	1.2
416.19962	0.9
417.20856	1.6
429.16714	1.3
429.21729	0.9
431.22461	1.9
433.24551	1.2
434.15714	0.7
435.16425	1.3
443.18076	1.0
443.23297	1.0
444.19052	1.4
445.20370	2.7
448.17172	0.8
449.17941	1.7
458.21188	2.2
459.15726	0.6
459.21756	17.6
460.22723	3.9
461.14008	1.4
463.19730	1.9
471.21786	1.4
472.22650	0.8
473.23358	1.6
475.15726	1.8
476.16687	3.0
477.17072	3.8
479.22531	1.1
490.17828	0.8
491.19040	11.5
492.19571	3.4
493.20789	0.8
503.19370	0.9
505.20499	2.8
507.22260	4.8
518.23059	1.2
519.23914	2.0
531.24072	1.6
535.21698	0.7
545.25208	3.2
547.26978	6.2
551.21027	9.5
563.20593	1.5
577.22760	1.3
578.23712	2.0
593.25879	32.4
594.26379	1.7
606.28503	12.8
621.24841	1.0
623.23230	2.3
625.28204	1.1
638.25824	1.0
653.27966	100.0
653.46869	3.2
654.27637	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	653.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22544	0.3
55.05498	0.3
59.04996	0.5
65.64195	0.4
66.93681	0.3
67.05511	0.9
69.07068	0.5
70.89947	0.7
70.90289	0.4
81.07068	0.5
89.23342	0.3
94.74184	0.3
95.08625	0.3
105.07064	0.3
109.10222	0.4
120.08092	0.3
169.41493	0.3
200.79393	0.3
201.79073	0.3
217.52669	0.3
225.13927	0.5
226.55762	0.3
237.13815	0.4
267.06094	0.4
282.19867	0.3
314.12973	0.3
317.65533	0.3
375.16360	0.3
401.17596	0.4
403.19397	0.4
415.19427	1.2
416.20313	0.3
417.21082	1.0
419.13550	0.4
428.20453	0.5
429.17017	1.0
429.21719	0.5
430.17358	0.5
430.22595	0.5
431.13739	0.4
431.18423	0.9
431.22684	1.3
433.14865	0.7
433.24048	0.8
435.16403	0.9
443.18942	1.7
444.18930	1.6
445.19547	2.4
446.21100	0.5
447.12427	0.5
447.21875	0.6
448.17667	0.6
449.18018	1.3
450.18701	0.4
457.20010	1.4
458.20563	2.3
459.21829	15.4
460.22754	3.3
461.13477	1.6
461.23654	0.6
462.15216	0.8
463.20740	1.7
471.22562	0.6
472.22757	0.7
473.23267	0.9
475.15475	1.9
476.16147	2.4
477.17068	3.3
479.22784	0.5
487.25363	0.5
489.17694	0.7
490.18655	1.1
491.18988	10.4
492.19855	2.4
493.20361	1.2
505.20093	1.5
506.21490	1.0
507.22156	2.7
517.24896	0.4
518.22913	1.2
519.23694	2.2
521.15576	0.4
531.24237	1.2
533.24518	0.6
537.23315	1.2
545.25427	2.9
546.26312	1.0
547.27148	5.1
548.27252	0.4
549.19879	1.3
551.21155	12.8
552.21393	0.5
563.20221	1.8
565.23541	0.6
574.26263	0.4
577.22900	1.0
578.23486	1.4
579.24316	0.7
591.26086	0.9
593.25873	14.8
594.25842	0.8
606.28632	5.6
621.25061	0.4
623.23181	1.6
638.25842	0.8
653.27991	100.0
654.28326	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	653.2608
Annotation	Acetylpringleine
Peak:m/z	Relative Intensity
59.04998	2.4
67.05508	1.9
70.06644	0.9
70.81161	1.7
79.05494	1.7
80.33560	1.0
81.03374	1.2
81.07060	3.3
86.09721	1.9
93.07061	1.6
95.08562	1.2
100.11223	1.2
107.08633	1.3
109.10190	1.4
119.08542	1.6
121.10132	1.1
124.99961	1.2
134.05983	1.2
145.10175	1.1
158.50735	1.3
170.08371	1.3
180.08049	1.0
184.07358	4.1
210.11467	1.2
220.97839	1.1
249.10287	1.4
267.86765	1.0
305.37927	1.0
312.15390	1.0
336.15170	1.7
340.14621	2.4
348.15204	1.3
363.16098	4.6
364.16672	1.6
376.17331	2.2
377.17780	7.2
378.18494	4.6
389.17850	1.9
390.18661	3.4
391.19119	12.0
392.20010	7.5
393.20676	4.6
403.19113	3.2
404.20361	2.1
405.20883	9.8
406.21478	1.4
407.22409	13.9
417.16537	1.4
417.21295	2.3
419.18121	2.1
419.23032	2.1
420.23422	1.9
421.20667	8.1
427.19025	1.0
431.18469	2.5
433.19980	1.7
434.21024	4.4
435.21918	15.5
435.27005	1.1
436.22546	3.1
437.19806	3.5
445.20584	2.5
446.20923	1.4
447.21832	4.6
449.20114	1.4
451.21695	5.4
459.18048	3.4
460.22681	1.4
461.23621	3.5
463.21219	1.4
464.21722	1.2
465.19260	10.5
466.20047	4.1
473.19757	4.8
474.20877	2.7
475.21414	3.0
477.18805	2.2
479.20654	19.1
480.21591	2.3
487.21210	2.4
489.18790	1.6
489.23508	2.4
490.30524	1.2
491.24701	1.4
492.21295	1.8
493.25809	3.2
501.19302	5.8
502.19772	3.0
503.20700	1.5
505.18140	6.5
507.23898	2.6
515.20819	6.3
516.21460	3.4
517.22449	31.1
519.19733	2.3
521.25629	8.6
522.26068	3.2
523.23157	1.4
533.22003	1.9
537.25293	2.8
547.23187	4.3
549.25018	43.7
550.25500	2.2
551.22919	9.5
565.24109	6.7
566.25244	27.4
567.25507	1.2
575.22925	11.1
576.22998	2.3
579.22070	1.3
593.23901	21.5
594.24506	2.9
603.22430	1.8
607.25824	7.9
609.27045	11.1
621.25372	1.6
625.26575	4.5
635.25018	100.0
636.25104	3.8
653.26025	77.4
654.26233	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	652.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11461	2.7
54.13460	2.6
54.27207	2.7
55.05524	15.2
57.03441	3.3
57.07073	8.4
61.02921	2.7
62.30831	3.2
67.05513	35.1
69.03432	7.6
69.07079	48.8
70.06593	8.0
71.08621	2.7
71.50670	3.6
72.08181	5.6
72.82132	3.0
79.05499	17.4
81.03419	8.3
81.07066	94.1
83.08625	27.0
84.08142	7.1
85.02918	37.6
86.09706	7.5
87.04498	3.1
89.06039	4.1
91.05471	6.3
93.07048	20.4
93.98689	2.8
95.04906	2.9
95.08617	100.0
95.71081	3.1
97.02908	14.2
97.06556	3.7
97.10162	15.1
103.03986	3.1
105.07049	7.9
107.08615	17.1
109.02901	3.8
109.06570	3.7
109.10169	68.3
111.11736	20.6
119.08597	6.7
121.10168	15.7
123.11720	38.1
125.13236	5.3
127.03934	10.4
129.10219	3.4
131.08548	3.8
133.10114	5.0
135.11697	9.9
136.08492	3.0
137.13309	16.9
143.05013	3.2
145.04964	15.7
147.11649	3.4
149.13263	14.7
151.07559	4.2
151.14818	11.2
159.51694	3.5
163.06017	10.7
163.14781	7.2
165.16425	12.1
184.07368	9.2
196.33693	3.8
205.19539	5.2
242.92868	2.8
255.80128	3.1
275.27332	37.4
293.28394	6.5
506.30429	3.3
509.45062	3.1
653.34491	4.7
681.84485	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	651.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05934	2.5
50.53385	3.0
53.03955	9.1
53.80083	2.8
55.01881	7.1
55.05519	26.4
57.03439	12.6
57.07085	5.1
59.05005	14.0
61.15818	3.0
67.05515	100.0
69.03437	25.4
69.07087	18.5
70.99957	3.3
71.01402	2.9
71.04994	8.2
71.51149	3.4
71.62057	3.3
79.05506	35.5
81.03426	34.9
81.07066	61.9
83.05003	19.5
83.08636	12.8
85.02939	3.4
85.06555	5.0
86.09724	5.1
89.06066	3.5
91.05490	33.7
91.75823	2.6
93.07056	39.9
95.04980	10.9
95.08624	40.4
97.02908	10.4
97.06555	5.3
97.10183	9.0
99.63065	2.9
105.07035	26.1
107.04996	4.1
107.08612	21.7
109.02902	7.4
109.06544	7.0
109.10185	55.8
111.04411	4.2
115.05470	3.2
117.07001	13.7
119.08612	27.1
121.10172	12.5
123.08083	3.4
123.11730	9.0
125.09644	5.7
127.03922	6.8
129.05484	7.5
129.06996	7.0
131.08580	18.9
133.06506	2.9
133.10130	15.7
135.08107	3.2
135.11725	10.2
137.09604	4.0
143.08597	9.9
145.10143	12.2
147.08224	4.3
147.11720	10.2
149.09630	3.7
149.13272	5.6
155.08585	4.7
155.10725	3.7
157.06638	2.7
157.10138	6.3
159.11732	13.6
161.09685	2.8
161.13297	7.0
169.10133	4.2
171.11681	4.2
173.11780	13.5
173.13341	10.4
175.14891	4.3
183.11699	4.3
184.07343	19.5
185.09572	5.1
185.13252	5.4
187.14944	5.4
189.11256	7.4
191.03860	3.0
199.14902	4.5
213.12798	3.8
227.12852	10.5
229.14395	34.5
259.20651	4.3
261.22150	7.1
277.21591	5.2
288.42374	2.9
301.21777	4.7
319.22787	4.1
335.25964	4.4
337.27811	4.2
351.23297	3.9
369.24368	9.1
387.25305	7.7
405.26498	3.4
417.06003	2.7
479.29803	4.5
489.36295	4.3
522.68549	3.5
547.36047	3.8
615.39099	5.7
633.39954	20.0
651.28735	13.9
651.38849	4.4
651.45764	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	650.4398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.3
56.05047	0.6
57.07079	0.3
58.06634	0.4
59.05011	0.2
59.07388	0.1
60.08167	6.2
67.05508	0.6
69.25640	1.1
71.06983	0.2
71.07376	3.9
79.05508	0.2
81.07052	0.3
83.08632	0.1
86.09710	30.1
86.26954	0.1
89.06028	0.1
91.05522	0.1
93.07032	0.4
95.08598	0.3
98.97865	0.2
98.98473	3.3
101.06015	0.2
104.10755	1.8
107.08624	0.2
109.10159	0.3
125.00009	21.4
128.39893	0.1
143.01126	0.2
157.89325	0.1
163.01465	0.1
184.07349	100.0
185.07732	0.3
191.69081	0.1
220.98402	0.1
496.34320	0.2
650.43970	6.2
651.43939	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05575	2.4
53.03943	9.4
55.01880	5.5
55.05275	3.6
55.05517	36.1
57.03438	12.2
57.07065	2.3
57.75697	2.4
59.05001	7.5
64.45711	2.1
65.03938	5.0
67.05510	100.0
69.03429	32.8
69.07070	14.8
69.31003	9.9
69.31434	9.5
70.98672	2.5
71.04987	8.0
73.02930	4.2
79.05495	41.0
81.03423	55.9
81.06592	4.4
81.07065	68.1
83.04982	26.9
83.08633	15.9
85.02882	8.2
85.06525	4.3
87.04469	3.1
91.05490	31.0
93.07056	43.4
95.04974	9.3
95.08614	51.2
97.02897	15.1
97.06570	4.3
97.10164	20.1
99.04465	5.0
103.03937	2.8
105.04423	2.4
105.07042	28.5
107.04954	4.6
107.08598	29.9
109.02888	8.8
109.06503	6.3
109.10164	61.4
111.04442	11.2
111.08125	5.6
117.07015	11.4
119.08591	23.2
121.06541	4.0
121.10160	18.9
123.08110	2.9
123.11686	5.1
125.09637	14.5
127.03951	8.9
128.06219	3.0
129.05482	8.8
129.07027	11.0
131.08601	19.7
133.10143	15.4
135.08046	6.1
135.11722	11.3
137.13284	3.3
139.11247	3.1
141.28220	2.6
142.07710	2.1
143.08578	10.0
145.06462	3.3
145.10152	17.2
147.08099	3.9
147.11719	11.3
149.09636	4.5
149.13251	6.4
155.08511	2.5
155.10745	4.3
157.06468	2.5
157.10144	6.1
159.08104	3.4
159.11697	14.7
161.13173	4.8
163.11102	2.7
163.14845	3.3
165.12781	2.4
169.10217	4.8
171.08142	2.6
171.11732	5.2
173.11743	17.2
173.13275	7.8
178.90640	2.7
183.11694	5.8
184.07330	7.0
185.13245	5.1
187.11288	4.0
187.14778	2.8
189.11203	12.2
193.15683	2.5
195.11810	2.9
197.13266	2.3
199.11385	2.5
202.07137	2.2
227.12766	14.3
229.14325	26.2
245.13747	3.8
261.22202	8.0
263.23630	4.9
273.22153	3.3
275.23892	2.5
277.21857	3.4
283.20319	3.1
299.14859	3.2
301.21692	5.6
303.23154	4.2
317.24881	2.8
319.22864	2.7
335.25854	9.6
337.27502	13.4
351.23148	6.6
369.24289	11.4
371.16949	4.7
373.18561	5.2
387.25211	5.6
405.26407	3.9
443.28134	5.4
461.28931	5.9
479.29819	4.5
489.35669	3.4
507.36771	4.8
597.37201	3.3
615.38879	5.3
633.40198	18.9
645.67200	2.9
651.27521	3.4
651.41229	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	650.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.2
55.01888	2.7
55.05512	15.2
57.03434	4.5
57.07076	6.8
61.02924	3.8
67.05507	25.1
69.03432	17.4
69.07069	31.5
69.43306	9.2
69.50630	1.0
70.06593	1.6
71.03635	1.3
71.04993	1.8
71.08636	2.1
73.02908	3.7
77.03889	1.2
79.05495	17.9
81.03432	7.0
81.07058	100.0
83.08620	10.4
85.02908	74.8
85.06532	11.8
87.04476	2.6
91.03950	3.1
91.05484	10.6
93.07050	45.8
95.04984	1.9
95.08609	66.1
97.02888	18.3
97.10205	5.6
99.04460	2.9
99.08101	12.7
105.07040	17.8
107.08597	50.3
109.02869	7.3
109.10162	51.0
110.10523	1.4
111.04404	1.7
111.11726	3.6
113.09654	4.6
115.03975	1.2
117.07008	1.8
119.08596	19.6
121.10148	56.6
123.11703	19.0
125.09652	1.6
125.13277	1.4
127.03921	15.9
127.11202	8.9
131.08542	3.0
133.10144	10.4
135.11696	26.4
137.12325	1.1
137.13237	7.1
143.08571	1.9
145.04951	18.5
145.10158	4.4
147.11679	8.3
149.13257	58.1
151.14795	2.2
157.10167	2.8
159.11665	3.9
161.13261	6.2
163.06081	6.8
163.07307	1.1
163.14824	46.6
167.14348	1.4
173.13239	2.9
175.14810	1.8
177.16402	9.4
181.15872	2.0
183.11574	1.6
189.16399	2.8
191.17950	7.2
193.17752	1.1
195.17406	3.1
203.17947	4.7
205.19731	1.5
207.17480	1.2
209.18965	4.4
217.19519	4.7
221.19055	3.5
223.20499	2.1
229.19536	1.1
231.21129	1.7
235.20537	1.5
273.25821	9.0
289.25397	2.0
291.26819	52.4
296.67892	1.1
399.28839	1.5
417.30008	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	649.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	12.9
55.05488	15.8
66.45641	10.1
67.05509	27.3
69.03429	12.6
69.07074	22.4
70.83426	28.9
71.04988	22.2
73.27286	9.6
79.05495	27.2
81.07063	100.0
83.08585	9.8
83.09436	8.5
84.08147	17.1
85.02906	24.3
91.05481	18.7
93.07056	55.9
95.08611	82.9
99.08098	12.3
105.07027	40.3
107.08604	62.1
109.10181	96.2
119.08603	59.2
121.10159	46.0
121.43342	11.6
127.11249	59.1
127.12012	12.1
131.08586	11.8
133.10124	24.7
135.11661	19.2
145.00221	10.9
145.10179	13.2
147.11653	31.3
149.13239	51.6
159.11668	15.5
161.13277	16.6
163.14862	20.2
173.13188	17.9
181.76910	11.7
187.14847	23.9
191.17865	12.8
201.16422	19.5
203.17978	45.8
244.19667	11.9
265.74387	11.2
268.57962	10.9
271.24222	28.5
289.25281	38.7
401.34003	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.3
53.03941	5.5
55.01864	5.8
55.05518	13.4
56.05024	3.7
57.03427	4.8
58.12303	1.3
58.49422	1.2
59.04990	1.8
60.04513	3.8
65.03924	1.8
67.05508	40.7
68.05031	4.5
69.03448	10.9
69.07070	8.4
70.06597	26.7
70.51910	5.2
71.04990	3.7
71.08630	5.8
72.08154	10.8
74.06094	2.1
79.05494	18.7
80.05032	3.4
81.03425	25.7
81.07057	22.3
82.06590	1.6
83.04978	5.5
83.08639	9.0
84.04505	11.0
84.08142	11.9
85.02890	11.6
85.06549	2.3
86.09708	16.9
89.32043	1.6
90.58941	1.8
91.05475	13.8
91.82730	1.3
93.07049	16.1
94.06571	13.6
95.04974	22.8
95.06071	1.8
95.08612	11.8
96.04507	7.6
97.02904	9.5
97.06519	4.5
97.10178	6.2
98.06037	4.0
99.04463	4.0
99.08088	4.1
102.05537	1.5
103.05463	1.4
105.07043	6.7
107.08591	9.2
109.02875	11.4
109.06515	2.5
109.10166	21.4
110.06024	6.0
110.07180	3.5
111.04461	3.4
111.08085	3.4
112.03240	2.7
112.03979	41.7
112.07623	6.6
114.05531	17.1
117.07005	3.6
119.08583	6.2
120.08117	6.3
121.06499	3.3
121.10146	6.1
122.06048	13.5
123.04440	30.3
125.09653	5.8
126.05521	2.1
127.03934	18.4
129.10242	6.7
131.08566	4.9
133.08601	1.8
133.10133	4.8
135.08049	2.4
135.11685	4.9
136.07581	2.8
137.09558	2.2
140.07074	91.2
141.05470	3.3
142.08630	2.4
145.02806	1.8
145.04999	2.3
145.10115	3.1
147.11679	2.6
149.13289	8.5
151.11203	3.4
155.10695	1.5
158.08133	71.6
159.11633	2.9
161.13361	2.5
163.11226	1.7
173.11745	9.9
173.13080	3.1
176.09189	100.0
177.05464	3.9
177.12828	1.7
182.08101	1.8
189.11229	3.9
195.13832	9.9
201.05473	2.8
213.14949	1.5
218.10201	2.5
241.19411	1.6
248.09320	2.0
250.09933	2.2
265.12277	5.7
266.10321	2.6
273.11475	1.3
277.21622	15.8
282.14993	1.9
295.22644	4.8
299.14932	6.3
303.16113	1.9
315.14337	2.1
321.16861	2.5
339.18069	3.3
379.46423	1.5
403.24545	3.0
421.25781	3.2
439.26831	2.3
474.23297	5.0
492.24353	21.0
514.26288	3.4
532.27515	22.3
596.33875	5.2
614.35260	16.4
632.36609	22.2
650.26776	1.9
650.37201	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	649.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.01870	2.0
55.05518	4.0
57.98795	1.2
58.99590	15.3
61.02915	0.8
65.03944	1.1
67.05510	10.2
69.03434	10.3
69.07085	3.3
70.06595	1.4
70.80897	1.2
72.08164	0.7
74.00652	0.7
76.02232	58.9
76.03984	2.2
79.05496	10.5
81.07060	11.9
83.04966	3.4
83.08610	1.3
84.04515	1.1
84.08123	0.9
85.02901	1.7
85.04028	4.9
85.06557	0.9
86.00652	0.9
86.09698	1.9
86.99044	3.2
88.02225	1.8
91.05489	9.6
92.01704	2.1
93.07048	9.1
95.01361	0.6
95.04968	2.8
95.08614	15.0
97.06531	8.4
105.07035	14.3
107.04950	1.9
107.08606	17.7
109.06527	9.8
109.09477	0.8
109.10173	9.8
111.04452	1.2
111.08089	3.2
113.03520	1.1
113.06005	1.4
115.05507	1.0
116.01686	22.6
117.07047	3.0
119.05993	0.7
119.08598	7.4
121.06516	5.0
121.10152	5.8
123.04446	1.8
123.08073	34.0
123.11708	4.2
125.06006	10.5
125.08763	1.3
125.09640	17.7
127.07571	0.8
128.06213	4.3
129.07016	3.6
129.10234	0.7
130.05040	1.0
131.04517	3.3
131.08591	9.7
133.06479	1.7
133.10132	13.0
135.04454	0.7
135.08058	4.7
135.11713	2.9
136.08728	0.6
137.06007	0.7
137.09607	4.3
139.11107	0.7
141.07007	2.3
141.09181	0.6
142.07779	2.2
143.02786	0.9
143.08580	12.6
144.01164	11.3
144.09283	0.7
145.06380	2.5
145.10129	9.8
147.08102	3.3
147.11656	4.5
149.09645	3.5
149.13277	1.2
151.07524	5.9
151.11200	1.5
153.07018	1.8
153.09140	4.2
155.08559	10.1
155.10641	1.8
156.09317	1.9
157.06537	1.6
157.10121	6.7
158.07285	1.0
159.08084	6.6
159.11707	6.5
160.08885	1.1
161.09631	10.8
161.13248	2.3
162.02211	40.6
163.11169	1.7
165.07028	2.7
166.07732	0.8
167.08572	3.5
168.09320	1.0
169.06461	1.1
169.08611	23.5
169.10130	6.8
171.08061	40.4
171.11671	4.7
173.09644	5.7
173.13240	3.2
175.11189	3.9
177.03310	10.7
177.12756	2.8
178.07782	1.0
179.04866	100.0
180.09306	1.7
181.10130	5.5
182.07256	0.9
182.10844	2.2
183.08018	4.9
183.11688	7.7
184.12471	1.0
185.09633	4.4
185.13258	6.2
187.05867	0.7
187.07533	0.8
187.11205	3.4
187.14803	1.8
189.03304	1.7
189.09119	2.6
189.12740	2.2
191.08620	2.0
191.10641	0.8
192.09349	1.9
193.10144	6.8
193.12239	1.9
193.88896	0.7
194.10907	2.3
195.08064	3.1
195.11700	6.6
196.08893	1.7
196.12505	1.8
197.09644	9.1
197.13217	5.2
198.14015	0.7
199.11197	2.5
199.14781	2.1
201.12825	2.2
203.05057	1.2
203.08356	0.7
204.09340	0.8
205.10133	2.0
206.10916	2.1
207.08131	0.8
207.11748	4.3
207.13455	0.8
208.08813	3.7
208.12517	1.3
209.09612	6.7
209.13252	3.4
210.10405	1.5
211.11209	10.2
211.14796	2.6
212.11952	0.9
213.12784	3.9
215.10674	0.7
215.14365	1.3
216.15245	0.7
217.10196	1.1
218.10716	1.0
219.11633	4.1
220.08832	0.8
220.12459	1.5
221.09697	4.4
221.13257	5.3
222.10460	2.9
222.14043	1.6
223.11227	6.2
223.14812	2.1
224.11996	0.9
225.12746	3.8
225.16483	1.5
227.14275	2.4
229.12270	0.9
230.10864	1.3
231.11649	2.1
232.08957	0.8
233.09706	1.2
233.13226	2.0
234.10315	1.9
235.11205	6.1
235.14790	4.2
237.12778	6.6
237.16386	3.4
239.14307	5.0
239.17966	3.8
241.12364	1.3
241.15749	1.4
245.09737	1.5
245.13275	3.5
246.10336	1.5
247.11217	2.2
247.14894	3.7
248.12038	3.7
249.12782	5.0
249.16422	4.7
251.14342	3.9
253.15894	2.1
255.13950	1.2
255.17380	1.1
259.11346	1.7
259.14667	1.0
260.11978	1.5
261.12778	3.8
261.16342	2.6
262.13562	0.8
263.14316	30.8
264.14935	1.2
265.15884	9.1
266.16507	0.8
267.17447	24.2
271.14905	1.4
273.12582	0.8
273.16443	0.8
274.13507	2.9
275.14310	2.5
276.15042	0.8
277.15799	2.0
279.17419	0.7
281.15369	12.1
283.16971	2.8
285.18588	6.1
287.14371	1.2
288.14847	1.0
289.15894	13.1
290.16440	0.8
291.17383	2.4
293.15463	1.1
293.18912	2.4
297.13095	0.7
303.17389	1.9
304.18268	0.9
305.15521	0.8
307.16852	4.0
309.18777	1.1
341.03244	0.7
371.23849	2.9
381.22165	2.1
389.24783	2.7
399.23193	10.5
407.25635	1.7
409.23758	8.1
417.24298	15.7
425.26886	0.9
428.18903	0.7
431.20523	0.8
434.21738	1.2
435.25391	15.7
441.18677	1.8
453.26340	5.5
463.22260	0.7
485.23502	1.8
492.25443	1.4
520.24933	0.9
577.27472	1.5
595.28522	5.9
613.29352	8.8
631.30560	21.5
631.46136	1.0
632.30988	0.8
649.31622	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	649.3023
Annotation	Gnidilatidin
Peak:m/z	Relative Intensity
55.05500	0.6
59.05009	3.7
67.05510	1.7
69.07070	1.2
78.71452	0.4
79.05487	0.7
79.74773	0.4
81.07066	2.0
83.08637	0.8
89.06055	0.6
91.05506	0.9
93.07066	1.2
95.04983	0.6
95.08624	1.6
101.06026	0.5
105.07045	1.4
107.08575	1.0
109.10148	0.7
117.09171	0.6
119.08631	0.5
121.10122	0.8
128.27122	0.4
133.10173	0.7
137.05974	0.6
141.61571	0.4
143.13000	0.5
146.94258	0.4
159.11717	0.6
161.96468	0.4
163.11275	0.6
171.36812	0.4
283.05527	0.6
403.19531	2.2
405.20944	0.7
416.19955	1.1
417.21198	2.7
418.21613	1.1
419.22476	1.2
429.16785	0.7
430.18057	1.3
431.17816	3.6
431.23187	1.5
432.18823	0.7
433.24579	2.1
443.18848	0.9
444.19601	1.6
445.20105	7.1
446.21130	1.7
447.22049	2.0
458.17072	1.0
459.22308	5.9
460.22662	4.0
461.23557	4.1
471.22314	0.6
472.19073	0.6
473.19247	6.3
474.20190	0.7
475.20544	0.7
487.21786	2.6
489.22922	1.1
501.23114	0.9
502.23495	2.4
503.24698	4.9
505.22586	0.5
515.24591	0.9
519.24371	1.4
529.26807	0.7
531.23346	0.6
532.24536	0.6
533.21600	0.7
546.26160	0.9
547.27466	8.8
559.23639	0.8
560.24341	0.6
561.24817	2.2
589.28180	17.8
590.28400	0.9
605.23969	0.8
607.29120	2.2
617.27795	0.5
648.47327	0.8
649.30237	100.0
650.30664	5.3
660.62598	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.4
55.05519	17.1
56.62721	2.1
57.03424	3.9
57.07071	5.1
57.26709	2.0
61.02951	5.2
65.03947	3.7
67.05510	33.9
69.03423	12.6
69.07064	22.1
70.43011	2.4
70.43365	6.4
71.04996	3.3
72.01547	2.1
79.05491	27.5
81.03428	5.1
81.07066	100.0
82.14799	2.2
83.08621	8.1
85.02914	45.3
89.44727	2.2
91.05486	19.6
93.07051	58.9
95.08618	83.1
97.02902	10.7
97.10172	7.0
105.07043	56.7
107.08605	74.6
109.02918	2.8
109.10162	63.8
117.07011	7.6
119.08593	64.8
121.10151	53.8
123.11720	22.3
127.03938	12.9
131.08588	17.1
133.10138	35.1
135.11720	32.4
137.13277	3.5
140.56824	2.2
145.04977	19.3
145.10132	20.3
147.11708	27.7
149.13289	34.1
159.11725	32.1
161.13275	28.0
163.06030	8.6
163.14827	27.0
173.13277	12.0
175.14835	22.6
177.16370	11.6
178.35982	2.5
187.14841	9.6
189.16400	16.5
191.17859	3.7
201.16370	15.5
203.17982	9.4
213.16412	2.2
215.17989	28.4
229.19444	3.7
231.21120	4.9
271.24219	46.2
289.25394	8.2
321.96741	2.4
365.89145	2.3
389.87405	2.5
391.85382	2.3
436.17960	2.3
474.18018	2.2
477.27896	2.2
478.16888	2.3
541.75757	2.2
637.46625	2.7
637.69391	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	648.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.5
55.05516	17.1
57.03439	3.7
57.07091	5.2
61.12962	3.5
67.05516	35.1
69.03421	12.0
69.07074	28.0
70.52725	9.2
70.53085	4.0
79.05498	28.3
81.03416	5.0
81.07066	100.0
83.08626	13.2
85.02917	52.2
91.05489	27.3
93.07057	61.9
95.08624	88.0
97.02903	12.5
97.10157	6.1
99.04472	4.8
105.07037	64.7
107.08612	68.0
109.02914	4.1
109.10172	75.7
111.11722	4.9
117.07034	5.1
119.08598	69.2
121.10154	64.4
123.11728	29.5
126.71564	3.9
127.03926	14.2
131.08591	15.6
133.10158	30.0
135.11707	34.1
137.13284	5.4
145.04976	21.8
145.10124	20.2
147.11719	35.1
149.13268	45.9
157.10008	3.9
159.11703	34.0
161.13278	35.9
163.06035	12.8
163.14851	35.7
173.13335	15.9
175.14839	28.8
177.16418	14.1
187.14798	14.7
189.16371	18.4
201.16400	17.6
203.17981	7.8
215.18045	34.6
231.21159	5.5
271.24228	60.9
289.25299	8.3
308.56604	3.5
423.71320	3.7
519.85864	3.4
572.92462	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	648.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98034	3.2
53.03947	6.3
55.05515	17.1
57.03439	3.3
57.07064	3.3
61.02932	4.3
65.03931	5.2
66.18711	3.1
67.05505	34.4
69.03419	10.0
69.07075	21.8
69.20886	32.9
74.59049	3.1
79.05495	30.9
81.03394	4.2
81.06597	5.2
81.07062	100.0
83.04993	3.8
83.08618	11.0
85.02909	56.6
89.06029	4.1
91.05483	23.9
93.07053	63.1
95.04942	3.5
95.08614	92.4
97.02898	14.6
97.10161	5.9
99.04434	4.4
100.52906	3.2
101.07124	3.7
105.06389	5.8
105.07034	59.8
107.08598	89.6
109.02886	4.9
109.10164	68.8
111.11629	3.4
117.06989	8.6
119.08589	72.5
121.10159	63.2
123.11691	27.0
127.03943	20.6
130.25319	3.4
131.08592	17.9
133.10159	36.3
135.11687	35.6
137.13205	5.8
139.61928	3.4
145.04993	22.1
145.10133	26.1
147.11737	33.2
149.13261	38.1
159.11705	33.4
161.13278	40.9
163.05997	13.1
163.14851	30.9
173.13234	15.3
175.14838	30.5
175.40308	3.3
177.16379	15.0
187.14827	11.0
189.16472	18.4
201.16460	16.6
203.17973	8.1
215.17964	36.7
229.19533	4.4
231.21053	6.5
271.24213	60.9
289.25183	13.5
306.51282	3.5
447.48996	4.0
452.02701	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	648.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.4
55.01880	5.4
55.05523	11.9
56.05034	2.9
57.03445	3.0
58.99610	1.5
60.04521	1.2
60.48314	1.0
65.03937	1.5
65.72334	1.1
67.05513	29.9
68.05025	4.8
69.03436	10.2
69.07073	13.1
70.06606	14.9
71.04992	4.0
72.08180	6.2
76.02248	2.7
79.05499	20.7
80.05024	3.4
81.03429	21.4
81.07067	32.8
82.06590	2.6
83.04989	3.9
83.06118	1.7
83.08628	6.9
84.04512	9.4
84.08151	8.9
85.02924	9.3
86.06071	1.4
86.09712	9.9
86.25513	1.2
91.05481	14.8
93.07054	19.5
93.15482	1.1
94.06581	13.7
95.04983	25.3
95.08607	13.5
96.04504	5.6
97.02892	8.8
97.06558	6.0
97.10184	7.0
98.06063	5.1
99.04474	2.7
102.05523	1.1
103.05463	1.2
105.07053	11.8
107.04988	4.5
107.08620	13.1
109.02885	11.7
109.06529	5.1
109.10175	8.7
110.06052	4.8
111.04459	1.2
111.08116	1.6
112.03979	44.1
112.07593	5.9
113.04287	1.1
114.05546	16.9
116.01681	1.9
116.07122	2.3
117.07045	6.8
119.08588	8.8
120.08127	3.7
121.06535	2.9
121.10157	7.4
122.06059	11.1
123.04445	30.4
123.08090	4.2
123.11724	2.3
125.09643	4.2
126.05589	1.5
127.03925	12.1
129.07031	3.4
129.10258	4.2
130.05113	1.3
131.04941	1.6
131.08595	6.1
133.10155	9.0
135.08075	2.4
135.11705	4.1
136.07602	2.1
137.06081	1.3
137.09619	1.9
140.07082	89.0
141.05469	1.9
142.08672	1.7
143.08621	1.5
145.06335	1.2
145.10149	5.2
147.08098	1.2
147.11694	6.2
149.05977	1.2
149.09666	5.9
149.13292	7.1
156.06543	2.6
157.10123	1.5
158.08142	71.9
159.08127	1.6
159.11746	5.9
161.09637	1.3
161.13321	2.1
162.02133	1.4
163.11177	3.7
164.05333	1.5
169.09998	1.3
171.11694	1.8
173.11778	2.9
173.13240	2.5
176.09201	100.0
177.12790	2.6
179.04886	2.1
183.11682	1.7
189.11270	3.1
189.12846	2.1
189.33260	1.0
195.13821	10.9
200.09152	1.4
203.14456	1.4
213.14891	3.3
218.10251	2.9
230.07921	1.3
231.04404	1.4
233.05858	1.4
248.09232	2.3
257.18912	3.3
266.10254	2.3
267.07947	3.4
275.20062	18.8
275.22833	1.9
293.21133	6.2
299.14880	2.4
305.17532	1.6
308.09177	2.4
321.16989	2.7
339.17975	7.3
383.22137	2.1
401.23193	2.0
419.24350	3.6
437.25540	2.8
465.20764	1.9
474.23495	1.4
483.21500	4.1
492.24374	5.2
514.26648	6.1
532.27563	29.7
533.28107	1.7
594.32678	3.2
612.33856	10.9
630.34949	19.2
648.35809	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	648.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.5
55.01865	2.2
55.05318	0.7
55.05519	8.2
56.05026	2.7
57.03433	3.9
59.04984	3.2
60.04519	2.4
65.03938	1.8
67.05508	60.7
68.05030	4.2
68.05822	1.0
69.03431	11.1
69.07063	5.5
69.92995	4.1
70.06599	15.1
71.05000	5.5
72.08160	5.2
74.06002	0.9
76.06731	0.8
79.05493	10.7
80.05011	2.5
80.32408	0.8
81.03424	23.5
81.07060	15.9
83.04969	3.3
83.08618	4.7
84.04506	10.4
84.08150	8.4
85.02915	8.5
85.06537	2.0
86.06059	1.9
86.09707	8.3
89.06021	1.0
91.05483	12.9
93.07040	9.9
94.06577	10.5
95.04978	22.1
95.08616	10.2
96.04484	3.9
97.02293	1.3
97.02897	13.1
97.06524	2.4
97.10189	2.1
98.06039	5.4
99.04488	4.2
101.07124	0.9
102.05531	1.5
105.04518	1.5
105.07019	6.3
107.04948	1.7
107.08601	8.0
108.04466	1.4
109.02889	12.2
109.10165	48.5
110.06071	6.1
111.04420	2.3
111.06850	1.2
111.08086	2.3
112.03974	40.7
112.07623	6.5
112.08709	0.9
114.04751	0.8
114.05540	16.5
116.07027	1.3
117.07000	2.0
119.04925	1.2
119.08585	9.0
120.08083	2.8
121.06496	2.8
121.10145	3.8
122.06037	11.9
123.04439	27.2
125.09605	2.5
126.05560	1.4
127.03086	1.4
127.03931	14.8
129.06969	0.8
129.10234	4.4
130.04929	1.2
131.08589	4.3
132.06561	1.3
133.10121	3.0
135.07980	0.8
135.11621	1.2
136.07607	1.5
137.09589	2.4
139.11182	1.3
140.07072	83.0
141.05464	3.1
142.08662	1.9
145.04967	2.3
145.06152	0.9
145.10078	2.8
147.04413	2.2
147.11681	2.6
149.09610	2.2
155.10718	7.7
156.06525	1.3
158.08134	63.3
159.11694	1.7
169.10219	1.4
173.11746	29.0
176.09190	100.0
185.13380	1.0
189.11211	2.4
189.12791	0.9
198.43858	1.0
200.09161	1.1
201.72617	1.0
214.17989	0.8
218.10175	1.8
230.07933	1.1
239.17766	0.9
247.13405	0.9
248.09167	1.7
257.18958	1.5
266.10193	2.7
275.20081	7.3
281.13678	1.1
293.21082	2.6
299.14893	17.7
317.15948	2.8
321.07516	2.1
353.10135	1.0
401.23212	0.9
419.24661	1.8
437.25244	1.9
456.21808	2.3
474.23499	8.3
492.24420	38.9
492.31616	1.8
493.25000	1.2
532.27502	1.5
594.32458	1.7
612.34113	4.7
630.34827	12.9
648.36011	11.6
649.26227	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	647.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	0.7
57.07072	2.2
59.05006	1.2
60.29203	0.5
65.56451	0.4
67.05482	1.5
69.07076	0.8
70.20551	2.0
70.23126	0.4
71.08625	2.0
79.05463	1.0
79.07898	0.6
81.07056	1.8
83.08641	1.2
85.10181	1.1
91.05496	0.7
93.07052	0.6
95.08619	0.9
105.07076	0.5
107.08639	0.7
109.10167	0.6
133.15765	0.5
163.49379	0.5
181.11926	0.5
182.40700	0.5
202.21504	0.5
238.50952	0.5
313.27127	0.6
335.21951	6.4
378.00998	0.6
391.24619	4.7
448.33862	0.6
505.88425	0.6
625.63690	0.6
647.48602	100.0
648.48944	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	648.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39005	0.8
56.33617	0.7
59.05006	6.6
60.09237	0.7
69.07051	0.7
69.18903	7.8
71.60455	0.6
81.07064	2.3
85.12640	0.7
87.04439	0.8
89.06023	1.0
95.08630	0.9
105.06981	1.1
117.09167	1.3
131.89232	0.8
138.86641	0.8
154.44080	0.7
430.20483	2.4
431.22510	1.2
433.23770	1.2
443.21481	1.0
444.21957	5.8
445.22888	3.3
446.24246	1.3
457.22897	1.5
458.23535	7.9
459.24350	10.5
460.25000	2.9
471.24338	1.5
472.25000	10.3
472.31241	0.9
473.25287	1.7
474.26575	5.6
486.26532	27.2
487.27451	7.0
488.28107	2.8
500.28156	3.3
501.28644	2.3
502.29666	7.6
503.29337	0.8
532.27222	1.1
546.28625	2.8
547.27423	3.0
560.30096	9.3
561.30835	1.9
562.31512	1.0
574.31732	16.8
575.32648	1.4
579.29773	11.6
588.25256	0.6
588.33295	30.5
589.34149	54.1
590.34625	2.1
648.35492	100.0
649.37079	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.7
55.01871	4.6
55.05503	14.8
56.75379	4.2
57.03445	3.9
64.83659	3.5
67.05511	48.2
69.03426	7.0
69.07078	10.8
69.48360	22.4
69.48762	9.0
70.06578	9.7
71.04977	4.2
79.05501	38.1
80.65545	3.6
81.07058	100.0
83.08622	10.8
85.02915	32.3
91.05491	35.9
93.07053	76.6
95.04975	9.1
95.08608	50.8
97.02893	11.9
97.06523	7.3
98.21563	7.6
105.07035	68.8
107.08603	57.2
109.09467	6.5
109.10159	52.5
111.08040	5.6
117.07001	9.0
119.08592	58.0
121.10158	45.0
123.08036	6.7
123.11710	12.4
127.03918	10.8
129.06979	8.8
131.08577	22.9
133.10135	40.1
135.11691	35.6
137.09650	5.3
139.11137	5.9
143.08549	10.9
145.04936	6.0
145.10135	37.2
147.04445	7.6
147.11681	26.3
149.13263	15.4
151.11217	5.6
157.10130	16.6
159.11728	34.4
161.13271	21.5
163.11201	5.4
163.14722	5.0
171.11700	14.8
173.13275	23.4
175.14830	14.3
178.88881	3.8
185.13277	6.7
187.14789	7.4
189.16254	4.9
196.32397	4.2
199.14841	16.7
201.16443	10.0
213.16360	19.3
227.17903	7.4
229.19589	20.2
269.22617	30.9
287.23700	12.7
647.37292	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	647.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	1.7
53.03949	6.6
53.72897	1.6
55.01875	3.1
55.05271	2.8
55.05514	27.5
56.63214	1.5
57.03424	4.0
57.07073	5.6
65.03940	3.1
67.05510	61.7
69.03436	52.5
69.07067	27.3
71.04994	4.1
79.05499	57.8
81.03415	18.4
81.07062	100.0
83.05000	9.6
83.08620	13.8
85.02921	5.2
85.06541	3.8
87.04464	1.9
89.06010	2.5
90.70953	1.7
91.05489	49.3
93.07051	85.5
95.04980	15.7
95.08611	81.3
97.02913	6.4
97.06560	7.5
97.10190	8.4
99.04485	3.0
99.08119	3.8
103.05472	3.5
105.04561	1.9
105.07039	70.3
107.04980	3.5
107.08604	66.8
109.02879	12.2
109.06517	9.4
109.10165	55.6
111.04449	10.0
111.08088	4.6
111.11704	1.8
113.06033	2.4
113.98305	1.9
115.05511	5.3
116.06305	1.6
117.07011	20.3
119.04931	2.2
119.08591	82.8
121.06519	6.9
121.10154	61.5
123.04415	4.1
123.08090	8.5
123.11719	24.6
125.09670	3.2
127.03927	6.4
128.06226	6.1
129.05539	2.7
129.07034	12.8
130.07797	2.2
131.08574	39.4
133.06491	3.0
133.10138	49.2
135.02808	1.6
135.08066	8.3
135.11714	30.5
137.05991	3.8
137.09662	5.0
137.13310	4.8
139.07568	1.7
139.11192	1.9
141.06943	3.7
142.07841	7.0
143.08578	27.5
144.09358	6.3
145.06488	3.7
145.10141	56.0
147.08063	5.2
147.11707	37.7
149.06023	2.1
149.09654	9.1
149.13286	25.6
151.07596	4.2
151.11203	1.8
153.07005	2.8
154.07753	3.3
155.08560	13.4
156.09367	5.3
157.10150	35.7
157.11333	3.0
159.08116	7.0
159.11708	50.7
161.09685	6.1
161.13257	29.8
163.07602	3.0
163.11243	6.5
163.14819	12.8
165.07071	2.8
165.09203	2.2
165.12888	2.0
166.07735	1.8
167.08537	3.5
167.10625	2.0
168.09378	2.0
169.10132	20.0
171.08153	2.6
171.11678	27.1
171.12930	2.0
173.09685	6.7
173.13283	35.8
175.11266	5.7
175.14842	19.0
177.09152	2.0
177.12785	3.6
177.16437	7.3
179.08591	2.9
179.10732	2.8
181.10118	9.5
182.10965	5.2
183.08098	1.7
183.11705	15.9
185.09711	5.9
185.13257	22.1
187.11247	6.3
187.14832	17.2
189.12811	6.5
189.16409	11.6
191.10722	2.8
191.14391	1.8
191.18097	2.0
193.10249	5.5
194.11005	3.1
195.11757	10.9
196.12569	2.0
197.13269	16.8
198.14082	2.0
199.11327	3.8
199.14848	25.6
201.12840	6.4
201.16359	15.9
203.14360	5.8
203.17900	8.3
207.11807	4.5
209.13367	8.6
210.14035	3.1
211.11264	2.3
211.14862	14.0
213.12883	4.1
213.16385	20.5
215.14427	3.6
215.17972	16.1
217.15868	2.9
217.19533	6.6
219.11755	2.6
221.13300	5.3
221.15321	2.5
223.14798	9.4
225.12965	2.7
225.16446	13.6
227.14368	2.9
227.17903	11.8
229.16008	4.5
229.19606	5.4
231.17427	2.2
231.21039	2.6
233.13280	2.4
233.19115	3.1
235.14949	3.5
237.16504	5.0
239.14439	3.5
239.17989	8.2
241.12141	2.1
241.15929	2.8
241.19514	12.2
243.21165	8.1
249.16519	2.8
251.18031	5.1
253.19618	7.4
255.17516	3.7
255.21036	10.1
257.22739	3.6
263.18005	2.7
265.19595	2.7
267.17316	2.0
267.21155	6.2
269.22684	32.1
271.21017	2.8
271.24188	16.8
273.22357	2.0
277.19519	2.6
279.17932	2.0
281.19794	3.2
281.22522	11.9
283.21054	2.3
283.24307	6.5
285.22415	2.7
293.22717	4.0
295.20822	2.7
295.24326	4.9
297.22128	3.0
299.23700	22.4
305.19113	2.1
305.22800	3.2
311.20538	2.5
311.23541	9.3
315.23325	2.7
323.23856	2.6
329.24634	8.5
337.25406	1.9
341.21228	2.1
341.24805	2.2
349.25302	3.0
351.27203	2.2
353.24951	2.2
355.26370	2.0
361.25452	10.4
367.26440	3.1
379.26379	27.2
397.27383	28.1
445.29462	2.0
571.58160	1.9
611.45209	9.4
629.45807	25.4
647.46851	74.3
648.46753	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.5
55.01886	3.9
55.03940	4.1
55.05526	19.5
57.03445	6.5
57.07080	5.7
61.02924	4.4
67.05512	33.4
69.03426	12.8
69.07076	23.8
70.06578	14.2
72.08166	6.5
79.05504	31.6
81.03417	5.4
81.07064	100.0
83.08624	14.6
84.08142	6.9
85.02920	35.0
85.06542	8.3
85.07716	4.2
86.09702	9.1
89.06024	5.9
91.05487	32.2
93.07050	68.6
95.04975	15.2
95.08625	60.0
97.02895	7.9
97.06526	9.3
97.10159	4.1
98.89436	4.2
105.07028	57.9
107.08598	84.2
109.06516	9.8
109.10160	42.0
111.05475	3.7
111.08089	7.9
117.07006	8.9
119.08584	50.0
121.10156	41.8
123.08051	5.4
123.11697	14.0
123.95619	4.7
125.09671	29.4
127.03902	4.2
131.08566	19.7
133.10130	36.4
135.08057	6.8
135.11688	23.1
142.07814	5.8
143.08578	10.9
145.05002	8.7
145.10126	32.1
147.11693	27.3
149.09557	5.5
149.13258	38.8
151.11157	19.5
157.10182	17.8
159.11670	35.2
161.13364	21.2
163.11140	5.5
163.14893	5.9
169.10162	4.6
171.11665	12.2
173.13260	19.6
175.14818	11.8
177.16469	5.1
177.64766	4.3
184.57489	3.7
185.13278	10.8
187.14868	12.6
189.16402	11.7
191.17995	5.7
199.14816	12.9
200.47598	4.4
201.16385	6.9
213.16388	14.9
219.17552	5.1
223.16898	6.3
227.17912	8.1
239.14870	5.8
247.17009	6.1
269.22836	25.2
287.23734	14.4
305.24872	8.5
647.36249	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	17.0
57.03441	6.0
57.07075	6.9
58.99585	6.3
59.04985	6.0
65.03939	4.3
66.54736	4.6
67.05514	35.8
69.03437	10.5
69.07072	22.5
70.06597	24.3
70.39242	4.0
71.04983	5.2
71.50598	6.4
71.74076	4.2
72.08149	11.9
73.29747	4.0
74.29354	4.1
76.02222	10.3
79.05508	28.2
81.03413	4.9
81.07055	100.0
83.08621	9.0
84.04532	4.4
84.08138	12.7
85.02901	29.4
85.06525	10.6
86.09710	11.7
89.06046	5.6
91.05466	27.9
93.07047	67.7
95.04955	10.4
95.08611	64.4
97.02876	10.5
97.06520	4.9
97.10189	4.7
105.07038	51.7
105.44176	4.1
107.08604	78.5
109.06525	7.5
109.10170	41.6
111.08099	5.7
116.01701	24.1
117.07013	5.8
119.08588	48.1
121.10137	46.5
123.08048	8.9
123.11713	16.4
125.09623	19.0
127.03880	6.8
129.10220	4.7
131.08546	14.8
133.10118	27.1
135.11703	21.4
137.09618	4.9
143.08566	7.3
144.01196	6.6
145.04999	5.2
145.06087	16.3
145.10118	26.3
147.04434	5.9
147.11705	27.1
149.13266	38.1
151.11194	12.5
157.10123	17.7
159.11642	23.6
161.09657	4.8
161.13281	18.5
162.02159	25.0
163.11165	8.5
163.14886	6.1
171.11728	10.5
173.13242	15.0
175.14792	9.1
176.50040	4.1
177.16460	5.4
179.04936	4.5
185.13200	5.9
187.14740	8.9
189.16435	13.6
199.14752	8.5
201.16386	8.8
203.17886	4.5
213.16402	16.3
215.41805	4.2
229.19580	4.6
269.22635	17.7
271.24066	4.1
287.23633	11.7
288.78735	4.5
305.24844	7.5
467.29428	14.2
647.36945	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	647.3627
Annotation	Cussoside B
Peak:m/z	Relative Intensity
53.03941	5.9
55.05501	11.8
67.05505	33.1
69.03410	4.5
69.07061	22.6
70.06591	10.8
70.07176	10.6
70.07560	14.2
79.05489	31.7
81.07061	100.0
81.89349	4.9
82.07372	5.0
83.04994	4.8
83.08611	5.8
84.08186	7.0
85.02897	21.9
89.06017	7.9
91.05473	23.3
93.07049	51.9
95.08607	52.2
96.74241	4.5
97.02891	10.3
97.10139	7.3
105.07040	45.9
107.08587	51.4
109.06516	9.5
109.10168	38.2
110.10545	4.8
117.76057	4.5
119.08572	48.3
121.10157	45.6
122.10510	5.4
123.11698	9.9
125.43873	4.9
127.03956	6.6
131.08565	16.1
133.10135	22.1
135.11685	19.0
137.09653	5.6
143.08566	8.7
145.10139	23.6
147.11722	23.1
149.13251	18.4
151.11243	7.6
157.10110	11.2
159.11710	22.7
160.12175	5.9
161.13252	17.8
163.14755	6.7
171.11694	9.2
173.13278	18.3
175.14835	8.0
177.16446	9.0
185.13312	5.3
187.14803	10.4
189.16420	6.6
192.21959	4.8
199.14844	6.8
201.16458	11.0
205.15891	10.8
213.16338	11.2
229.19431	11.3
253.91640	5.3
269.22623	27.5
270.23099	6.6
280.46347	4.8
287.23813	13.5
351.91043	4.7
599.08759	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	646.4432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09387	0.5
53.03949	1.2
55.01859	0.5
55.05513	3.1
57.03429	2.0
65.03938	0.9
67.05507	11.1
68.05035	3.0
69.03412	0.6
69.07055	2.7
70.06602	2.8
71.04986	0.7
71.50648	0.5
72.08157	0.6
73.77821	0.5
79.05502	9.1
80.05032	1.2
81.03409	2.1
81.04533	2.3
81.07054	8.7
82.05353	0.6
83.05030	0.9
83.06112	9.0
83.08620	2.0
84.08154	0.6
85.02898	2.1
85.06548	0.6
86.03774	0.5
86.09694	0.7
88.07645	0.7
89.06034	1.9
91.05482	5.3
93.07053	8.1
95.04998	2.3
95.06094	58.5
95.08611	6.7
97.02874	0.7
97.06541	1.1
97.07632	1.0
97.10152	0.6
105.07033	4.5
106.06538	0.7
107.06086	1.9
107.08605	2.9
109.06510	1.1
109.07624	1.2
109.10191	2.7
112.08736	15.4
113.07146	4.4
117.07037	0.7
119.08594	2.1
121.06575	0.4
121.07619	2.7
121.10146	3.9
123.04530	0.5
123.08046	0.5
123.09221	0.8
123.11700	1.0
125.09684	0.5
129.07001	1.3
129.10330	0.5
130.53664	0.5
131.08598	1.4
133.07614	2.9
133.08566	0.8
133.10149	1.5
135.09155	0.5
135.11722	1.5
137.40836	0.5
145.10161	1.4
147.11732	1.2
149.02383	1.9
151.08646	0.7
157.10066	0.7
159.11708	0.6
163.11179	0.5
169.09918	0.8
187.10825	0.9
193.05009	2.0
200.20143	2.1
237.07838	0.9
244.22835	1.1
275.17651	2.2
283.17401	0.5
287.17560	0.8
293.18643	1.4
304.20175	5.3
305.18567	1.4
307.22760	5.1
322.21225	0.9
323.19577	3.0
340.22375	2.6
341.06464	0.6
341.20645	0.9
349.21164	0.7
367.22467	0.9
378.23920	0.8
379.22293	1.6
385.09143	0.7
396.24872	0.9
397.23462	1.6
414.26062	0.8
429.12003	1.1
449.34290	0.6
511.68423	0.5
578.91827	0.5
599.40131	2.3
628.43268	1.4
629.41199	2.5
646.44232	100.0
647.34406	0.8
647.44580	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	646.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19490	0.8
55.05276	1.3
55.05519	18.0
57.03437	1.6
57.07069	3.4
61.02930	1.7
66.93690	0.7
67.05506	7.6
69.03441	4.4
69.07076	36.0
69.38167	6.3
70.06576	1.7
71.04994	1.6
71.08625	2.9
72.08141	1.6
73.06578	4.3
79.05482	1.6
80.32200	1.0
81.03430	2.3
81.07063	12.7
83.08636	15.4
85.02442	1.1
85.02914	13.3
85.10178	2.8
87.04477	3.9
89.06040	100.0
91.05461	0.8
93.07040	1.9
95.08625	10.6
97.02880	3.9
97.10177	20.5
98.21539	1.5
99.04465	1.4
105.07015	1.2
107.07086	2.2
107.08607	1.2
109.02882	2.6
109.10166	7.3
111.11740	11.0
117.09147	3.0
119.08589	1.5
120.11130	0.8
120.36864	0.7
123.11706	3.1
125.13261	1.0
127.03929	2.1
130.08684	0.9
133.08618	44.8
143.49431	0.8
145.04956	1.9
147.11717	0.9
151.09689	1.6
159.11717	0.9
177.11240	19.5
195.12294	2.8
199.06386	1.9
221.13879	2.8
231.40009	0.7
239.14819	2.4
255.23244	12.1
283.17535	22.8
299.25885	5.4
349.40680	0.8
361.29474	1.8
405.32004	3.3
449.34781	89.8
450.35266	1.6
464.20239	0.9
467.35843	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	646.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01584	0.2
50.35184	0.1
53.03949	0.3
55.01865	0.3
57.03422	0.4
61.02942	0.2
61.56579	0.2
65.03941	1.1
67.05503	0.4
68.05017	0.2
69.03440	1.3
70.21010	0.4
73.02917	0.2
75.36259	0.2
80.05026	0.2
81.03421	2.8
84.04488	0.3
85.02914	2.4
91.05483	8.9
94.06567	0.6
95.04977	1.1
96.04499	0.2
97.02883	1.1
98.06037	0.2
98.21458	0.2
99.04488	0.3
109.02895	1.3
110.06052	0.5
112.03965	2.5
112.07582	0.3
114.05526	0.8
119.04947	19.9
122.06017	0.7
123.04441	1.7
126.05543	0.3
127.03931	0.6
140.07077	4.6
141.05490	0.3
145.04962	0.2
147.04414	100.0
148.04755	0.7
158.08134	3.4
165.05475	3.0
176.09189	7.3
218.10315	0.4
223.11606	0.2
248.09178	0.2
266.10211	0.9
273.07529	0.2
291.08679	4.6
309.09698	5.1
322.12802	0.5
338.14709	0.2
448.16003	0.3
466.17114	0.5
471.15021	0.7
484.18195	1.5
500.19687	0.3
628.22412	0.4
646.23358	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	646.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53831	1.1
51.02372	2.4
53.03941	4.5
55.01847	1.8
55.05521	18.4
57.03428	3.0
57.07074	7.0
59.04986	2.8
61.02906	2.4
65.03940	5.3
67.05509	42.6
68.81259	1.5
69.03431	8.5
69.06739	1.7
69.07078	22.0
70.06590	6.5
70.40033	5.1
71.04997	1.4
71.08642	1.7
73.02934	1.8
77.03941	1.6
79.05069	2.6
79.05499	32.4
81.03419	2.8
81.07064	100.0
83.08624	7.0
85.02909	19.5
85.10215	1.5
88.07630	9.3
89.06017	3.3
91.05488	31.0
93.07053	68.4
95.04965	4.7
95.06088	5.2
95.08615	79.3
97.02897	19.3
97.10186	5.1
99.04472	1.7
101.45575	1.4
102.09178	6.0
105.04510	2.1
105.07043	61.3
107.08605	82.6
109.02859	1.5
109.06519	4.4
109.10167	63.5
110.10429	1.4
111.08086	2.1
111.11739	1.9
112.08753	3.4
113.02383	4.5
115.04028	1.5
117.07027	4.3
119.08591	59.9
121.10152	55.9
123.08102	1.5
123.11729	23.0
127.03922	3.0
129.07033	2.3
131.08578	16.6
133.10136	28.7
135.08125	1.6
135.11710	30.3
137.13301	3.5
143.08569	2.0
144.09370	3.3
145.04959	3.7
145.10133	19.1
147.11700	31.9
149.02388	20.7
149.03484	2.9
149.13268	34.6
151.14847	1.6
157.10170	3.2
159.11703	25.9
161.04468	5.2
161.13263	32.0
163.05954	1.6
163.14857	22.5
171.11754	1.9
173.13251	11.0
175.14844	20.5
176.15199	1.3
177.16406	13.3
179.14278	1.9
180.08589	1.3
187.14824	11.6
189.16354	9.9
191.17949	2.2
193.04980	5.7
200.20110	22.6
201.16461	12.6
203.17949	9.3
210.90901	1.4
213.16238	2.6
215.17972	23.9
229.19563	4.5
231.21040	4.7
271.21283	2.3
271.24213	36.2
283.17670	1.9
289.25107	6.7
293.03033	1.5
403.10202	5.1
429.11746	4.0
456.13513	2.6
469.14719	3.1
470.15384	14.5
471.16150	2.2
473.14734	6.9
484.17047	3.0
496.18365	3.3
514.14264	1.5
556.20172	3.0
617.21661	4.9
631.24023	1.6
646.24359	15.1
646.32159	20.0
646.44208	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	645.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40798	10.8
55.05501	19.3
59.04998	18.2
63.04804	10.2
67.05499	43.7
67.42722	11.2
69.07069	26.0
69.30769	15.9
69.31167	100.0
70.83025	11.4
71.08628	39.0
72.59032	14.2
73.06543	11.3
74.46052	12.0
74.91795	10.5
79.05493	46.7
81.07058	47.5
90.74158	11.4
91.05489	42.6
93.07072	57.2
95.08606	39.2
99.08112	29.2
101.23706	11.7
105.07036	38.4
107.08591	44.9
109.10194	19.0
119.08568	16.2
119.62426	11.6
121.10140	17.8
133.10172	15.3
135.11708	32.4
151.11168	17.3
161.13297	15.5
179.14323	96.6
205.62892	11.2
213.55138	11.0
217.15945	13.2
270.48938	12.1
277.21524	57.6
322.70047	13.9
336.87231	11.9
351.25320	42.8
459.21710	33.7
547.26355	19.1
574.25482	14.2
606.28168	41.4
627.46442	60.6
638.09308	14.7
645.24481	39.6
645.45178	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	9.5
55.05516	22.9
56.05037	8.1
57.03427	7.2
57.07045	4.4
59.04994	6.6
59.41063	3.9
61.02921	7.6
67.05513	28.7
69.03426	43.2
69.07080	18.8
69.43681	15.0
69.44095	11.7
70.06593	83.7
71.04995	9.5
72.08159	33.2
74.06080	9.0
79.05495	33.7
81.03406	10.7
81.07058	100.0
83.04956	14.0
83.08617	5.1
84.04497	15.3
84.08142	41.7
84.33788	3.9
85.02435	5.9
85.02908	70.3
85.06542	16.2
86.09711	34.1
91.03928	4.6
91.05484	32.4
93.06487	4.7
93.07050	51.1
95.04962	14.9
95.08612	38.6
97.02878	25.4
97.06528	15.1
97.10162	3.8
98.05997	4.4
98.21544	7.0
99.04453	11.8
101.07104	5.6
101.10776	3.8
102.05516	5.5
105.07031	63.9
107.08592	72.7
109.02893	7.6
109.06523	34.3
109.10172	43.1
110.07163	7.8
111.08075	5.9
113.05995	4.3
113.09692	6.1
117.06982	7.7
119.04912	5.1
119.08594	66.6
120.08099	30.0
121.06470	5.4
121.10148	33.2
123.08055	13.2
123.11714	15.5
125.09617	10.3
127.03924	14.9
127.07651	4.6
129.06990	5.8
129.10271	24.9
131.08549	15.1
133.10144	57.1
135.08060	5.0
135.11647	18.5
136.07561	16.7
137.09587	21.5
139.11188	12.1
143.08575	6.3
145.04944	15.4
145.10176	19.6
147.04366	9.7
147.11702	59.0
149.13219	10.3
151.11194	83.2
153.09116	5.7
157.10071	11.8
158.43831	3.6
159.11743	18.1
160.07512	4.6
161.13277	14.4
163.11189	12.5
163.14754	5.9
165.09105	8.9
165.12752	48.1
169.10123	6.8
171.11671	8.9
173.13106	14.0
175.11143	11.5
175.14839	12.3
177.12744	5.1
183.11641	5.2
185.13315	4.5
187.14720	8.4
189.16382	4.6
191.14352	4.8
197.13297	6.3
199.10791	5.4
199.14752	4.7
201.16307	6.1
209.15320	4.4
211.14764	5.9
221.15317	9.0
227.17903	6.0
229.15900	7.0
235.16820	6.4
247.17050	3.9
263.13934	7.5
267.21106	9.5
285.22098	19.6
303.23260	44.8
321.24316	4.7
398.27695	4.1
532.62360	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	645.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.7
55.01871	6.9
55.05506	15.9
57.03429	13.4
61.02930	8.0
65.03938	5.3
67.05508	32.6
69.03429	24.7
69.07076	17.5
70.06599	5.2
71.04990	9.1
71.50565	4.7
71.50957	4.2
72.08158	3.3
79.05501	32.2
81.03430	14.1
81.07060	100.0
83.04992	6.4
83.08598	5.8
84.08137	6.4
85.02911	78.7
85.06556	9.7
86.09761	5.6
91.05495	29.5
93.07051	68.0
95.05002	19.0
95.08611	51.3
97.02915	17.1
97.06545	10.8
99.04453	7.1
105.07040	72.1
107.08595	76.2
109.02918	7.5
109.06522	22.0
109.10173	42.9
111.08068	16.6
117.07046	11.3
119.08595	43.3
120.08119	3.9
121.06493	5.7
121.10150	40.1
123.08102	15.7
123.11698	12.5
125.09647	10.2
127.03925	12.6
128.06227	4.2
131.08582	25.3
133.10136	34.2
135.08047	11.2
135.11696	35.6
137.09622	12.8
137.13223	4.2
139.11211	6.9
142.07843	4.8
143.08563	9.4
145.04953	24.4
145.10146	25.8
147.11700	34.3
149.09630	11.3
149.13272	9.4
151.11214	11.8
153.09097	9.9
155.08612	7.3
157.10143	15.1
159.11690	26.8
161.13293	23.2
162.05463	4.7
163.11182	6.3
163.14859	7.2
165.12775	20.0
169.10178	4.6
171.11681	12.4
173.13306	10.9
175.11151	4.9
175.14890	6.8
177.12802	5.6
183.11685	6.5
185.13300	9.4
187.14836	22.0
193.15935	5.1
197.13361	4.2
199.14813	6.9
201.16162	4.2
203.14363	3.9
205.15901	16.3
207.13745	4.9
211.14861	4.8
215.14384	4.0
217.15875	4.7
225.16377	5.0
227.18008	8.6
229.15976	5.5
229.19731	4.0
235.44685	4.0
257.22516	4.2
263.72156	3.3
267.21106	11.9
285.12393	5.4
285.22147	24.4
286.12854	5.3
303.23175	25.5
308.30408	4.0
387.51169	3.5
601.25311	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	645.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81544	1.6
53.03940	5.1
54.88223	1.6
55.01858	2.8
55.05518	15.0
55.86636	1.7
57.03434	1.8
57.07075	3.7
58.99585	12.2
65.03949	3.6
67.05512	28.1
69.03079	3.1
69.03430	34.6
69.07076	18.8
70.06603	3.7
70.67963	5.2
71.05008	4.2
71.77552	1.5
72.08163	2.2
75.02706	12.5
76.02236	50.0
76.04005	5.3
79.05499	34.4
81.03425	3.3
81.07063	100.0
83.05000	2.9
83.08622	7.0
84.08117	3.3
85.02905	3.1
85.06557	2.4
85.47274	1.6
86.09715	3.6
86.99044	3.5
87.02696	2.0
91.05476	19.2
93.07049	61.0
95.04986	5.9
95.08616	47.6
97.02942	2.9
97.06549	15.5
97.10156	5.0
99.08118	2.6
101.04255	2.5
103.05468	2.0
105.04561	2.2
105.07040	55.8
107.08601	70.6
109.06531	11.2
109.10164	35.7
109.10850	3.2
111.02673	2.0
111.08086	4.4
112.75283	1.8
113.04212	2.9
116.01683	16.1
117.07063	4.5
119.08592	64.5
121.06558	2.7
121.10150	37.0
123.08101	9.0
123.11709	16.3
125.09641	56.4
127.11205	5.4
129.03642	1.7
129.06976	4.0
131.08562	14.3
133.10147	26.3
135.08032	1.8
135.11685	17.1
137.09650	2.5
137.13289	4.2
139.11169	3.5
142.07742	2.6
143.08557	6.5
144.01126	7.0
145.10117	30.5
147.11708	31.6
149.13271	26.6
151.11185	17.9
157.10130	15.4
159.11685	27.9
161.13307	14.2
162.02240	27.6
163.14842	9.2
169.10216	2.4
169.56812	1.8
171.11732	9.9
173.13240	14.5
175.14795	10.0
177.12787	2.5
177.16451	7.6
179.04861	60.0
179.14223	2.1
185.13237	9.3
187.14864	11.1
189.16386	5.9
191.14348	2.5
191.17993	3.6
193.15891	2.8
199.14856	10.1
201.16409	14.0
203.17967	23.1
213.16388	16.6
215.17804	1.7
217.15829	3.4
219.17380	3.7
227.17969	4.0
229.19547	4.8
241.19652	2.8
269.22653	28.9
287.23743	17.3
319.20844	3.7
447.26819	34.7
447.57574	1.7
465.27884	21.5
609.00140	1.8
643.86859	2.2
645.30292	1.6
657.60211	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	645.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18188	0.5
55.01888	0.6
55.05504	0.8
56.05041	0.6
58.06603	2.8
62.98538	0.4
68.05035	0.5
69.03424	0.6
70.06595	5.4
71.49713	0.7
72.08160	15.9
74.25440	0.4
80.05035	0.6
81.04552	1.6
82.06587	0.5
84.04510	1.5
84.08147	9.2
85.02904	1.1
86.06061	0.5
86.09701	0.8
89.23515	0.4
91.05484	0.8
94.06545	0.4
95.04977	1.1
96.04490	2.8
97.02900	0.9
98.06058	2.5
98.08419	0.6
98.09688	0.6
99.06847	0.7
100.07636	2.1
103.62441	0.4
108.04478	0.6
110.06036	0.8
110.07154	0.6
110.09717	1.1
112.07623	3.3
112.11246	7.1
114.09184	0.4
119.04980	0.8
121.06574	0.5
123.00686	0.4
123.04440	1.6
126.09164	0.8
127.05033	2.2
129.10249	0.8
129.13895	1.0
138.05525	1.7
140.07135	0.5
147.04401	4.4
148.07651	0.7
149.06097	0.9
150.05551	0.7
153.05453	2.3
155.11797	3.1
163.03900	5.2
164.07097	0.5
176.07156	1.0
176.09181	0.5
177.05482	5.3
178.08694	0.9
183.08081	0.6
192.06557	0.8
194.08197	0.4
195.06548	0.6
195.11449	1.2
205.05023	1.7
209.12808	0.5
211.07614	0.8
218.08075	0.8
218.67601	0.5
226.10796	0.7
232.09631	0.5
233.12939	0.5
234.11267	5.7
236.06972	0.5
239.07034	1.4
239.30885	0.5
254.10329	1.2
255.06538	1.0
257.08154	1.2
260.09177	0.7
261.09671	0.4
262.10760	14.2
265.05215	0.5
268.09744	0.6
280.12000	0.9
281.08133	0.5
282.07751	1.6
283.06165	2.4
293.15015	0.5
295.06146	0.6
296.08875	0.5
299.09424	0.5
303.04980	0.6
306.07642	0.5
317.15091	1.5
324.08820	1.4
333.17981	0.4
335.16263	0.7
351.19266	0.8
353.17059	0.9
354.13373	0.7
356.15173	1.1
364.11807	0.5
371.16077	1.4
381.14520	1.6
382.12949	3.0
399.15564	1.5
452.21817	1.0
453.20514	1.4
470.22855	4.4
567.27838	0.6
586.81042	0.4
609.28949	0.7
627.30414	3.5
628.28802	1.7
645.31274	100.0
646.31433	3.6
647.20813	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96021	0.4
53.03965	0.4
53.30769	0.4
55.05515	2.4
57.07080	33.8
58.19536	0.4
59.05005	2.1
61.02917	0.4
63.16188	0.4
67.05515	2.6
69.07071	3.0
71.04266	1.1
71.08638	25.6
73.06179	0.6
73.06564	8.7
79.05508	1.4
81.07067	1.6
83.08633	2.5
85.10188	17.2
86.06059	0.5
87.04478	8.4
89.06039	100.0
91.05511	1.1
91.07581	0.8
92.89547	0.4
93.07050	1.8
95.04981	0.9
95.08633	1.4
97.10178	4.2
99.11737	2.9
105.07063	0.5
107.07076	1.3
107.08600	0.8
109.06559	0.7
109.10184	0.6
111.11733	3.5
113.05988	0.5
113.13279	2.2
117.09143	7.3
119.08593	1.0
121.10156	0.6
121.80133	0.4
123.08154	0.5
125.13293	0.6
127.14882	0.8
130.08693	1.4
131.07071	2.6
131.08600	0.5
133.08615	51.8
133.79250	0.4
135.10197	0.7
145.10075	0.6
161.11807	1.5
169.19518	3.9
175.09695	1.6
177.11241	20.4
213.22130	2.1
221.13861	3.8
239.14919	1.0
257.24777	7.7
265.16568	1.6
283.17453	0.9
292.20044	0.6
301.27402	4.0
309.18976	0.6
327.20087	0.4
335.25873	0.7
336.26285	0.5
358.64307	0.4
415.25403	1.0
459.28110	2.3
507.57095	0.5
585.19861	0.5
626.46149	0.9
627.46631	3.6
644.48724	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80127	1.1
53.03935	2.0
55.01865	1.8
55.05280	1.5
55.05515	18.4
55.88572	1.3
57.07079	10.6
59.05006	23.3
61.02938	2.5
67.05509	11.1
68.33927	1.1
69.03426	5.8
69.07074	37.8
70.06596	3.4
70.99788	2.3
71.08635	6.1
71.79969	1.3
77.06035	2.0
79.05504	6.1
80.05865	1.5
81.03425	4.4
81.07065	17.7
83.08161	1.9
83.08630	26.9
84.08133	2.7
85.02911	15.0
85.06490	1.7
85.10192	2.7
86.09731	2.1
87.04472	31.9
89.05495	2.7
89.06037	46.1
91.05476	5.1
93.07056	7.3
95.05000	2.1
95.08614	15.1
97.02892	6.3
97.10176	27.9
103.03949	100.0
103.07586	13.5
105.07024	5.6
106.07358	1.5
107.07074	3.5
107.08601	5.6
109.02896	3.5
109.06504	1.8
109.10170	9.4
111.11727	15.2
117.07033	1.3
119.07065	2.1
119.08587	4.9
121.06512	1.3
121.08614	7.9
121.10154	3.9
123.11738	6.1
123.74158	1.3
125.13264	5.8
127.03928	2.6
131.07057	12.6
131.08531	2.4
133.08617	14.8
133.10187	3.7
135.11694	2.4
137.13281	3.1
139.14793	1.5
143.08537	1.7
145.04906	1.4
145.10103	3.8
147.06543	10.2
147.11729	2.2
151.09644	3.4
157.10150	2.0
159.11676	2.4
161.13257	1.7
163.09750	1.6
163.11105	1.5
165.07677	2.2
173.13220	1.7
175.09651	4.3
175.11082	1.2
177.11246	5.8
191.09132	3.9
193.19565	1.4
207.12277	11.8
209.13840	2.6
211.20552	13.1
213.22163	5.2
221.99922	1.3
235.11801	12.1
253.12831	26.9
254.20137	1.4
257.24805	1.8
301.27286	5.9
345.30011	3.5
359.28143	2.0
363.30902	2.3
389.32846	1.7
419.33771	3.6
447.32977	9.2
465.34299	50.6
465.40952	2.9
466.34756	1.7
608.40076	3.0
622.10919	1.2
626.41327	3.5
644.24817	2.6
644.42535	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
54.05849	0.6
55.01882	0.7
55.05510	4.6
57.03441	1.6
57.07067	2.4
62.96038	0.7
67.05184	1.0
67.05513	11.7
67.48425	0.7
69.07067	7.4
71.04980	0.8
71.08638	1.6
71.51493	1.3
77.60655	0.6
79.05495	7.7
81.07064	15.3
83.08620	4.6
91.05495	4.8
93.07047	6.6
95.04950	0.8
95.08613	8.5
97.06552	1.7
97.10182	1.9
97.98124	0.7
105.07042	2.2
107.08621	5.6
109.10157	3.5
113.00019	1.5
114.03542	0.6
117.07066	0.8
119.08617	1.9
121.10163	2.5
123.11713	1.7
125.09664	1.1
131.08582	1.8
133.10175	2.3
135.11681	1.5
137.13263	1.0
145.10121	1.4
146.69582	0.7
147.11690	1.6
149.13269	3.6
151.11238	0.8
159.11760	1.1
161.13335	1.3
167.14433	0.8
169.02631	1.1
173.13377	0.8
177.12672	1.3
188.69980	0.6
195.13828	1.4
202.37129	0.7
236.75211	0.9
252.33444	0.7
263.23862	1.0
269.17276	0.8
311.25995	1.0
331.19009	0.8
333.20392	10.5
389.22873	4.2
531.40540	17.1
643.45465	100.0
644.46143	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	643.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65374	1.1
53.03942	2.9
55.01881	3.6
55.05512	3.1
56.05038	2.0
57.03440	5.2
61.02921	3.7
63.44592	1.0
64.28130	1.1
65.03961	1.5
67.05508	15.4
69.03445	1.7
69.07066	3.7
70.06602	11.8
71.05003	2.2
71.49924	2.3
72.08160	14.9
72.40293	1.2
73.02893	2.7
79.05495	15.2
81.03424	6.3
81.07063	12.5
83.04995	7.9
84.04499	6.8
84.08150	6.2
85.02914	7.0
85.06544	3.6
86.09711	38.1
90.24608	1.2
91.03948	3.5
91.05479	8.6
93.07058	15.0
95.01334	1.6
95.04967	6.1
95.08620	3.7
97.02901	2.3
97.06548	4.8
101.07162	1.5
103.05446	1.5
105.07036	3.8
107.04958	16.4
107.08586	7.8
109.10121	1.8
110.07224	1.2
111.04442	8.7
111.08092	1.8
112.11240	1.9
117.07005	5.6
119.08561	6.6
121.06491	1.4
121.10157	17.8
123.04362	1.7
125.06010	1.8
127.03938	3.0
129.07083	1.3
129.10246	5.5
130.04903	1.3
131.04919	3.6
131.08585	4.3
131.11797	6.0
133.06104	4.3
135.11717	17.5
145.04987	1.3
145.06529	4.1
145.10129	23.2
149.09616	2.4
153.12773	3.6
154.78656	1.2
155.08551	4.7
163.06023	1.5
163.11192	25.1
169.13428	1.5
171.11371	2.8
173.09654	13.0
181.12271	8.6
191.10680	10.8
197.12814	1.6
208.09799	1.9
209.11725	8.4
210.37555	1.2
213.18317	1.3
225.12419	3.1
227.12859	6.1
242.14986	9.4
254.26588	1.1
265.14346	12.9
270.18051	2.6
283.12878	0.9
283.15408	43.7
301.16486	100.0
302.16885	2.7
308.05786	1.3
355.23270	1.5
398.23779	1.7
402.23468	5.6
409.18860	1.6
412.25558	1.4
427.19653	1.6
463.21658	6.3
625.35980	2.3
671.53845	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	643.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70833	2.0
53.03943	4.0
53.52739	2.0
55.01867	6.1
55.05508	7.1
56.05049	3.2
57.03440	4.8
58.62604	1.9
60.04517	2.7
61.02921	5.8
67.00870	1.8
67.05511	18.6
69.07069	3.9
70.06599	39.7
71.50394	3.0
72.07805	3.0
72.08166	29.7
73.02934	2.8
74.06060	3.0
74.23045	1.8
79.05502	17.7
81.03413	6.8
81.07064	13.9
83.04987	7.8
83.08643	1.7
84.04523	11.8
84.08154	24.4
85.02914	11.1
85.06542	3.9
86.09714	27.0
87.05635	2.5
91.03963	5.2
91.05493	9.7
93.07040	14.7
95.01311	2.0
95.04998	8.8
95.06106	12.2
95.08600	5.9
96.06433	4.4
97.02891	2.4
97.06512	6.3
101.07133	3.6
105.07010	3.0
107.04960	26.4
107.08620	10.3
109.06494	2.5
110.07168	3.9
111.04482	10.4
111.08071	3.2
112.11225	2.0
117.07022	5.4
119.08605	8.8
120.08116	3.6
121.06498	4.6
121.10149	16.8
127.03937	3.4
127.08636	1.9
129.06963	2.4
129.10263	9.0
131.04982	3.4
131.08601	5.9
135.08054	2.3
135.11679	19.1
138.06660	10.8
139.06995	4.6
140.07085	2.2
143.11858	3.5
145.02899	2.3
145.04970	3.1
145.06500	7.3
145.10123	18.8
147.11690	2.2
149.09610	2.4
153.12766	2.5
155.08517	4.6
157.06525	1.9
163.03923	5.2
163.06111	3.4
163.11221	30.3
171.11253	4.2
173.09653	18.9
181.12283	5.5
183.14964	2.5
191.10684	12.5
209.11768	8.0
213.05357	2.9
227.12798	8.1
228.13525	2.7
240.13416	2.0
261.11310	1.8
265.14383	22.4
283.15427	100.0
300.15631	5.3
301.16473	87.5
319.07132	3.0
319.17322	1.9
451.15515	2.4
463.22049	1.9
464.68884	1.8
625.35480	3.9
630.40997	2.2
643.22046	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	643.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92511	1.5
55.05515	2.3
59.04992	4.2
67.05500	4.9
69.03412	1.3
69.07059	1.8
69.48347	7.9
69.52728	1.4
79.05489	4.5
81.07062	7.5
81.43668	1.1
89.06020	1.5
91.05479	4.2
93.07056	5.6
95.04989	1.6
95.08605	3.3
98.21487	2.5
105.07050	3.2
107.08598	3.4
109.06503	2.5
117.07031	2.8
119.06002	1.5
119.08578	4.0
120.08128	1.6
121.10126	1.8
122.09681	1.5
131.08536	1.7
133.10127	1.2
135.11739	1.6
135.73335	1.2
144.08113	1.7
145.10088	1.8
147.11682	1.4
157.50487	1.5
164.10767	2.3
168.04533	1.2
182.09637	1.4
203.11832	2.0
207.09142	1.7
208.09885	1.6
209.10756	2.0
221.10748	2.3
222.11319	1.6
223.12283	2.5
225.13942	1.4
230.28871	1.2
233.10736	2.4
235.12325	2.7
237.13800	3.3
239.11963	1.8
239.15421	1.8
247.12271	2.8
248.13322	1.8
249.13950	3.4
259.12097	1.5
261.13855	3.3
274.13483	1.4
276.15033	1.8
287.15195	1.5
288.14911	2.3
290.16449	2.1
291.19623	1.6
293.20847	1.6
301.15665	1.5
302.12988	1.9
302.16397	1.7
303.13525	2.9
304.14554	2.3
314.16800	1.9
318.15939	3.9
326.16257	1.8
327.17416	1.5
328.17731	1.9
332.17752	2.4
335.25626	2.0
337.15393	1.8
338.16550	2.3
340.18112	2.5
352.17822	3.7
353.18280	2.1
353.89035	1.5
354.19693	2.5
362.16370	2.1
363.16162	1.7
364.17685	2.6
365.17578	4.7
366.19211	3.4
367.19272	3.7
372.16788	2.0
376.17508	2.2
377.18210	1.8
378.19540	1.9
379.19308	5.6
380.20654	1.9
381.20834	5.7
382.19128	2.3
391.19324	4.2
392.16299	1.9
392.20752	1.8
393.16794	2.7
393.21002	3.9
394.17908	2.8
395.18658	4.5
405.20895	2.0
406.18570	3.0
407.18759	4.4
408.19437	4.6
409.20056	13.3
410.20715	5.3
419.18658	2.1
421.20206	4.2
422.20969	4.3
423.22034	16.5
424.22275	4.3
425.23438	2.2
433.20090	2.9
434.20715	1.7
435.22302	6.6
436.23199	3.7
437.24026	8.2
439.21637	2.1
443.21997	5.3
446.20865	2.2
449.19775	1.9
451.21078	4.2
451.25912	2.3
452.23022	2.5
453.22488	4.0
454.20618	4.9
461.23123	4.4
463.20850	2.2
464.22107	4.9
465.22699	4.8
466.21414	1.9
468.21472	1.6
469.26437	3.4
478.23477	2.0
479.25327	10.0
480.24707	5.7
481.22037	11.4
482.22659	3.8
483.24072	2.9
493.22110	3.8
494.23749	6.0
495.23322	6.6
496.24799	12.6
497.25531	15.9
503.23996	4.1
505.22318	1.8
506.23166	1.6
507.23856	4.3
508.24817	2.7
509.22006	4.3
511.27310	12.1
512.28076	7.3
521.25372	3.1
523.23523	13.0
524.24115	10.0
527.26587	3.1
539.26855	34.2
541.24481	3.3
545.38519	2.7
551.22906	2.6
555.26550	1.7
556.26801	2.5
557.27606	6.9
567.26093	35.6
569.23657	4.9
571.28198	4.0
581.27893	8.2
582.26672	3.1
583.25598	33.8
584.25818	4.8
597.26868	2.9
599.28687	100.0
600.28070	5.0
601.26636	8.6
611.25067	54.7
625.26013	4.4
625.44458	2.6
643.27679	11.3
643.44708	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	643.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65503	0.6
55.05378	1.6
55.05656	1.4
57.03571	1.4
58.12302	0.7
59.04879	0.7
59.05123	0.8
67.05291	3.8
67.05702	4.7
69.06864	1.1
69.07257	1.7
70.14549	1.8
70.14944	1.1
78.52193	0.8
79.05189	3.2
79.05721	5.7
81.03588	0.8
81.06755	2.5
81.07291	4.7
83.08797	1.3
91.05104	2.5
91.05740	5.1
93.06656	2.2
93.07304	4.9
95.04659	0.9
95.05183	1.6
95.08218	1.7
95.08872	4.9
97.06742	0.8
99.04775	0.7
99.08291	1.1
105.06550	1.2
105.07319	4.2
107.08890	3.5
109.06719	1.3
109.09730	1.3
109.10409	1.7
117.06561	0.7
117.07280	1.8
119.08865	2.1
121.10460	2.8
122.10802	0.7
123.08218	0.8
128.06441	0.8
131.07858	1.2
131.08907	3.5
133.10443	2.4
135.08278	0.9
135.11035	0.9
135.11928	1.2
143.08771	1.4
145.10458	2.6
147.08292	1.0
147.11960	1.4
149.09915	0.9
149.13533	1.0
155.08925	0.9
157.10344	1.3
159.12071	2.2
161.13560	0.8
163.11455	0.8
166.88898	0.7
171.12030	0.8
175.15118	1.1
201.40921	0.7
227.13142	1.2
273.18610	4.2
277.21890	1.1
289.18329	1.2
290.18301	0.8
291.19998	3.0
335.26245	2.4
349.23950	0.8
365.23706	0.7
396.12305	0.8
397.13431	1.0
399.15436	1.0
410.13974	1.7
411.14548	4.4
412.15796	2.6
413.16345	0.9
424.15796	2.1
425.16196	7.7
425.21005	0.7
426.16904	5.1
427.17786	1.3
428.18948	0.9
438.13556	3.0
439.13232	6.5
439.19177	1.3
440.18839	2.7
441.19315	23.1
442.19974	1.9
452.15115	2.8
453.15369	10.0
454.16522	2.5
467.17236	18.3
467.23373	1.0
468.18005	8.2
469.18915	11.3
470.19330	1.2
481.14941	13.0
482.15524	3.5
495.16202	3.4
496.17081	17.9
496.44547	0.8
497.17828	3.1
509.18311	1.9
514.22504	1.3
523.20258	1.1
527.22443	0.9
528.19476	1.1
537.20148	0.9
542.21796	1.2
545.38782	2.6
546.24591	0.7
555.22491	17.9
556.23090	1.0
579.27094	0.8
583.21954	100.0
584.22180	6.6
593.26373	2.4
599.28314	1.0
607.43964	1.1
611.20679	1.1
615.24463	7.1
621.60516	0.8
625.29108	4.2
625.44507	2.9
643.23615	34.8
643.45251	3.1
644.23810	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55252	0.3
59.04983	0.4
67.05477	0.5
69.78806	1.6
70.15657	0.3
79.05457	0.5
81.07002	0.5
82.75552	0.3
90.69640	0.3
91.05473	0.6
92.52728	0.3
93.07003	0.4
95.08603	0.6
105.06969	0.5
106.16258	0.4
107.08566	0.4
116.25468	0.3
141.01357	0.4
196.18320	0.3
264.56741	0.3
396.12277	1.1
397.12921	2.0
398.13702	1.4
400.15482	0.4
410.13742	3.2
411.14581	7.1
412.15247	4.0
413.16064	1.8
414.16553	0.6
423.15002	2.0
424.11203	1.2
424.16360	2.3
425.16348	11.8
426.16965	8.8
427.17599	2.1
428.18427	1.0
436.15320	0.5
437.16901	0.8
438.12399	3.7
439.13535	14.3
440.13626	1.1
440.19342	4.0
441.19339	34.5
442.19711	2.2
451.13412	0.9
451.18665	0.6
452.14218	3.9
453.15381	16.9
454.16061	4.9
455.21436	0.5
457.14929	0.6
463.14194	1.3
465.15948	0.5
466.12601	1.0
467.17258	26.5
468.17880	14.7
469.18930	11.4
470.19083	0.8
472.17392	0.8
479.16992	0.8
480.18057	0.9
481.14737	14.3
482.15503	4.0
483.16214	0.5
485.18240	0.7
493.15247	0.5
494.15945	0.4
495.15811	3.0
496.17209	15.6
497.17795	2.2
498.18985	0.4
499.19577	1.2
509.18433	2.1
512.20514	1.4
513.21368	0.5
514.22467	2.6
523.19861	1.1
524.20154	0.5
527.23547	3.0
537.18805	0.5
538.18433	0.6
540.20435	0.7
542.22015	0.8
551.19806	0.4
555.22437	31.2
556.22766	2.4
568.19476	0.8
583.21954	100.0
584.22205	6.8
586.21021	0.9
587.25110	1.7
611.21106	1.6
614.23669	1.0
615.24481	12.4
616.24805	0.7
643.23969	62.4
644.24133	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	643.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99584	0.7
53.06453	0.5
55.05516	1.1
57.03446	0.7
57.07059	1.1
59.05007	4.0
67.05494	2.7
69.07069	1.0
69.64712	2.0
69.65115	1.6
71.08618	0.8
73.06568	4.8
79.05483	2.6
81.07043	3.9
83.08603	0.8
86.06063	1.5
87.04469	4.5
89.06023	1.3
91.05492	1.0
93.07050	1.6
95.08610	2.4
97.06562	0.8
101.06026	0.9
104.07092	4.6
105.07024	1.1
107.08604	1.9
109.10128	0.7
110.80534	0.6
117.07021	0.8
119.08588	1.2
131.08580	0.8
131.10722	0.8
133.10153	1.1
135.11676	0.8
137.38696	0.7
145.10132	1.1
147.11763	0.9
159.11739	0.9
375.16183	1.1
388.16919	1.8
389.17810	1.7
390.18774	1.5
398.16364	1.2
399.16550	1.0
400.16855	0.8
401.17810	1.4
402.18866	0.8
403.19290	3.2
404.20050	1.2
405.20749	1.7
412.17035	1.8
413.17578	2.7
415.19315	1.0
416.16278	1.0
417.21390	1.3
418.21396	1.0
419.22485	1.2
423.14914	0.9
424.14453	0.7
425.17462	1.3
426.18774	1.1
427.19308	2.4
428.20282	2.0
431.18677	2.4
432.19284	1.4
439.17258	2.0
440.19308	0.8
441.18015	4.2
445.20663	1.1
447.21857	0.8
448.14825	0.9
449.15320	2.2
451.18341	0.9
453.17834	1.0
454.17847	0.8
455.19592	1.3
456.20401	1.0
459.17230	0.8
459.22495	1.0
463.16788	1.4
465.14886	0.9
466.21744	0.9
468.20175	1.3
469.20197	0.8
473.19720	2.4
474.21109	1.2
475.21332	2.0
477.18127	0.8
478.19659	1.0
479.16599	1.1
480.17126	1.2
481.14584	1.9
483.22092	7.8
484.22931	1.4
485.23227	1.4
487.21463	3.1
488.22293	1.4
491.20483	1.8
493.18430	4.9
494.18753	1.6
495.15488	5.8
496.16855	1.8
497.18842	1.2
498.21143	1.5
499.21323	1.4
501.22681	1.5
503.24634	1.8
504.17340	2.8
505.13943	0.9
506.18555	1.4
507.15833	1.8
508.16617	2.1
509.16852	3.7
510.18277	2.8
511.18994	1.6
513.22827	3.0
514.23688	1.9
519.19476	12.7
520.16406	5.3
521.17322	1.2
522.18311	1.2
523.19012	9.1
531.40430	1.5
533.17163	3.6
534.18042	1.9
537.20764	6.7
538.21509	1.0
541.19879	2.1
547.24121	0.8
549.20502	10.2
551.18585	0.8
553.18939	0.7
555.21631	3.3
557.22443	1.0
558.22882	0.9
565.20007	13.2
569.20013	1.2
575.18390	2.6
583.20990	1.8
584.21893	1.8
593.19543	11.4
607.25549	1.4
611.20587	1.9
625.22150	85.8
626.22296	2.5
643.23193	100.0
644.23535	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	642.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01853	1.2
55.05515	10.4
57.03438	5.2
57.07081	29.0
59.04988	1.2
65.03934	1.4
67.05509	33.5
69.07074	11.6
71.04979	1.2
71.08636	24.0
71.54376	0.8
79.05075	1.6
79.05501	20.2
81.03405	1.8
81.07061	33.5
83.04987	6.2
83.08624	11.7
85.06522	1.2
85.10184	10.9
89.06025	0.9
91.05482	14.0
93.07052	21.2
95.04972	6.5
95.08614	24.2
97.06585	5.1
97.07121	1.5
97.10157	4.8
98.21521	3.1
99.08083	4.3
105.07044	7.7
106.74028	0.9
107.08583	9.4
109.06514	1.0
109.10165	7.3
111.08058	1.9
117.07015	4.5
119.08584	3.5
121.10162	6.0
123.11700	3.0
123.55978	1.0
131.08597	5.2
133.10159	6.6
135.11667	3.4
139.11206	1.1
145.10098	2.0
147.11685	2.3
149.13258	7.4
151.11189	5.4
159.11670	5.1
161.13229	2.1
163.11227	1.9
169.41512	0.9
175.14847	1.5
177.12749	1.9
195.13792	3.5
229.14302	1.4
233.15347	1.6
239.23732	4.1
241.19508	1.4
251.16373	1.2
259.20547	2.3
269.17490	11.6
277.21713	6.5
313.27359	29.2
314.27740	1.2
351.25323	9.7
380.42062	0.9
385.60330	1.0
467.37253	2.6
507.40494	100.0
508.40771	2.6
589.48676	4.4
646.11682	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	0.4
55.05514	2.8
57.07080	32.4
59.05007	1.1
67.05511	0.9
69.03418	0.9
69.07078	4.3
70.14737	1.0
71.04990	0.4
71.08636	30.7
73.06567	7.4
79.05498	0.8
79.12807	0.4
81.07063	1.6
83.08630	5.1
85.10188	17.9
87.04477	6.5
89.06037	100.0
90.06401	0.5
91.05463	0.4
91.07610	1.1
93.07068	0.8
94.03608	0.3
95.08599	0.5
95.11356	0.4
97.10177	6.2
99.11730	3.0
104.00790	0.4
107.07081	1.3
109.10136	0.5
111.11725	3.1
112.07605	0.6
113.13303	1.5
117.09145	6.4
125.13290	1.6
127.14803	1.0
129.06981	0.4
130.08667	1.4
131.07066	1.9
131.08592	0.4
133.08612	50.8
134.08904	0.6
135.10187	0.6
139.14874	0.8
140.07054	0.6
141.16389	1.5
153.16409	0.4
155.17950	1.0
161.11731	1.4
169.19522	0.4
175.09659	1.2
177.11235	19.2
179.12967	0.5
195.12347	0.6
211.24194	2.4
221.13866	4.3
223.15527	0.4
239.15030	0.6
255.26984	1.9
255.29102	0.4
265.16455	0.8
283.17523	1.5
299.26450	0.5
299.29471	5.6
309.19241	1.0
327.20093	1.5
343.32086	2.7
348.11176	0.4
371.22794	0.9
385.17426	0.4
405.35724	0.4
407.60175	0.5
415.25458	3.5
427.03979	0.4
469.40891	0.4
581.46155	0.6
625.48901	4.1
642.51178	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.5156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	3.6
57.03471	0.4
57.07082	33.3
59.05008	1.8
59.77660	0.4
67.05516	1.1
67.16571	0.4
69.03436	0.4
69.07077	4.8
69.20132	3.6
69.20560	0.7
71.08639	29.4
72.84074	0.4
73.06563	9.2
79.05528	0.6
81.07066	1.1
83.08624	4.2
85.10191	21.6
87.04481	7.2
89.06041	100.0
91.05511	0.5
91.07590	0.9
95.08622	1.0
97.10178	6.0
98.20673	0.8
99.11733	3.3
102.22838	0.4
105.07011	0.6
107.07041	1.4
111.11734	2.8
112.07625	0.9
113.13310	2.1
117.09143	6.4
125.13278	1.8
127.14817	1.6
130.08665	1.9
131.07060	2.5
131.08589	0.4
133.08615	52.9
135.10181	1.0
140.07112	0.7
141.16368	1.1
155.17928	1.3
161.11752	1.3
175.09703	1.6
177.11243	22.2
179.12811	0.5
195.12177	0.4
211.24245	2.6
221.13879	3.3
239.14899	0.9
246.45296	0.4
255.26848	1.6
265.16385	0.9
283.17450	1.4
299.29486	6.6
309.19135	0.7
327.20068	1.1
343.32077	3.3
353.21793	0.5
371.22729	1.5
415.25259	3.3
581.45782	0.4
599.31598	0.5
625.39136	0.4
625.48999	4.6
642.51825	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85592	3.1
55.01867	5.2
55.05513	6.0
57.03425	4.8
57.07074	15.4
59.04987	13.8
59.12193	2.9
67.05519	15.5
68.63235	3.0
69.07061	8.7
70.02031	2.7
71.08624	9.6
71.51148	4.0
79.05522	4.8
81.07069	32.2
83.08629	9.0
85.10188	6.5
88.37566	3.4
91.05468	5.0
93.07048	7.6
95.08594	15.7
105.07041	7.9
107.08585	9.1
109.06507	11.7
109.10167	6.2
111.04437	13.9
119.08580	4.4
121.10131	6.1
125.05988	3.7
128.01688	2.9
133.10120	4.8
137.05994	100.0
147.11748	4.0
149.09630	3.9
149.13249	3.7
154.95769	3.4
161.09698	3.8
161.13231	4.4
163.11176	3.8
175.11140	4.6
203.18063	4.6
215.17860	3.5
231.17415	6.7
249.18497	5.4
259.52463	3.8
277.17978	48.7
295.19077	7.8
313.27408	30.5
351.21750	15.7
589.35718	4.8
589.44635	67.6
611.39117	3.3
628.03668	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	642.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.3
57.07082	35.8
59.02690	0.7
59.05007	11.4
60.06420	0.6
69.07085	3.5
70.29160	0.8
71.08636	30.3
73.06561	8.4
77.06059	1.0
83.08627	4.0
85.10188	16.0
87.04474	16.3
89.06036	48.5
89.95634	0.8
91.07561	0.8
97.10180	4.8
98.20772	2.5
99.11726	2.8
103.03951	100.0
103.07587	11.6
107.07056	0.7
111.11729	2.8
113.13309	2.4
117.09147	5.6
119.07086	1.5
121.08641	2.0
125.13312	1.6
127.14865	1.9
130.08635	0.9
130.84082	0.8
131.07037	6.0
133.08609	17.1
141.16382	1.5
147.06543	9.1
147.10191	3.6
161.11783	1.1
163.09666	2.5
175.09683	2.4
177.11253	8.3
191.09172	6.0
197.22714	2.5
207.12350	3.6
219.12422	1.3
221.13864	1.4
229.55836	0.8
235.11787	5.7
241.25281	2.5
279.14404	1.1
285.27881	7.7
313.03607	0.9
327.09216	0.8
329.30566	3.9
383.22815	1.3
429.23428	1.4
625.45477	2.5
642.47534	2.7
643.15503	1.1
643.25421	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	641.2982
Annotation	Scortechinone S
Peak:m/z	Relative Intensity
55.01878	0.7
55.05509	1.9
59.05010	1.1
67.05503	3.6
67.42073	0.6
69.07079	1.3
71.00230	1.0
71.00553	0.9
74.12559	0.6
79.05506	3.5
81.03379	0.8
81.07068	3.8
83.04946	0.7
91.05491	4.1
93.07071	3.7
94.06583	1.3
95.04990	1.3
95.08630	2.2
96.72623	0.5
97.10168	0.7
103.12572	0.7
105.07028	2.9
107.08624	1.9
109.06544	0.7
109.10173	1.1
117.07043	1.1
119.08588	2.0
121.10149	1.5
123.00691	0.6
123.08047	0.6
129.07048	0.9
131.08560	1.4
133.10149	1.7
135.08046	0.7
143.08546	0.8
145.10176	1.6
155.31587	0.6
159.07999	0.6
161.09630	0.7
162.05479	1.2
173.13289	0.9
185.10764	0.8
188.03391	1.1
197.10657	0.7
209.10791	1.2
210.11455	1.1
211.12393	1.0
223.12311	2.4
224.13078	1.2
225.13960	2.1
233.15549	0.6
237.13925	1.4
238.14777	1.3
239.11707	0.7
239.15460	1.9
251.15663	0.6
253.13309	0.9
261.13965	1.2
263.15356	0.8
271.16998	0.9
277.06097	0.9
289.17999	2.6
290.16531	0.7
298.13251	0.6
299.14792	0.8
307.10791	0.6
312.15240	0.8
313.15637	1.5
318.16202	1.4
319.16800	0.9
328.14761	0.7
330.16318	1.2
332.17651	1.1
334.19254	0.9
335.25815	1.2
338.16739	0.6
344.17728	0.8
346.19397	0.9
347.20297	0.7
349.23505	0.6
356.18005	0.6
374.18823	1.3
384.17139	2.7
389.17804	1.1
391.19385	1.4
392.19736	3.3
401.17865	1.4
402.18219	1.3
403.19528	1.7
404.20050	2.5
405.21011	2.0
406.21417	3.3
407.22232	5.5
408.22623	1.1
412.16653	1.5
415.19342	2.6
416.20135	2.4
417.21060	4.2
418.21796	4.2
419.22394	2.0
420.23111	1.7
421.23849	5.1
422.24506	6.8
426.18341	1.7
428.20319	1.0
429.20963	2.7
430.21802	2.1
431.23016	3.3
432.23447	0.8
433.24014	5.4
434.24542	5.1
435.22067	1.2
443.22937	1.4
444.18320	3.3
444.24384	1.1
445.25119	3.2
446.17328	1.2
446.24380	1.2
447.17999	1.0
447.25488	1.8
449.23102	1.4
458.20410	1.2
459.21231	4.2
460.22598	2.1
461.19901	2.0
462.20410	4.1
463.21207	4.2
464.22028	0.8
472.22748	1.9
473.23279	4.1
474.24271	2.2
475.21417	4.6
476.22012	1.5
477.22919	15.3
478.23233	0.9
485.23459	1.1
487.24850	5.4
489.23196	1.4
491.24460	3.7
503.24899	1.2
504.25232	0.9
505.25928	2.8
506.27008	3.1
515.24377	2.0
517.25641	0.7
518.23120	1.1
519.27625	2.8
523.26678	0.8
532.25110	1.5
535.23730	2.7
538.24847	1.2
545.25586	8.0
546.26251	1.6
547.27100	16.4
548.26990	1.0
549.25110	11.5
550.25775	17.5
559.23029	0.8
563.26581	4.2
564.27533	3.1
565.27606	1.1
577.27063	1.5
579.29724	8.7
581.27338	1.9
591.26154	14.1
591.34979	1.1
605.27673	19.0
609.27173	12.1
623.28693	100.0
624.28729	3.0
641.28998	9.9
641.44092	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	641.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.05529	4.9
57.03439	2.1
57.07072	1.1
67.05507	9.3
69.03428	1.1
69.07079	3.5
70.90018	1.1
70.90331	1.6
71.04978	1.1
79.05506	8.6
80.05876	0.9
81.07062	11.6
83.04989	2.1
83.08646	1.2
85.03030	0.7
89.06013	1.4
91.05512	6.4
93.07047	8.2
95.04953	1.3
95.08615	5.8
97.10190	1.6
100.88063	0.9
105.07071	4.8
107.05007	0.8
107.08617	4.7
109.06532	3.9
109.10146	2.7
111.08132	0.8
117.07033	2.9
117.55131	0.8
119.08595	3.7
121.06483	1.8
121.10184	3.2
123.11729	1.1
125.09631	1.9
129.07001	1.4
131.08598	2.8
133.10156	3.6
135.08073	1.9
135.11713	1.8
137.09610	1.6
145.10121	1.2
147.11795	1.1
149.09610	1.0
153.09109	1.1
158.09668	1.0
159.08025	1.2
159.11789	1.9
161.13287	1.0
170.51993	0.8
173.13257	1.1
177.12842	1.0
209.10715	1.0
225.53226	0.8
235.16940	1.4
259.20087	1.1
261.18518	2.6
271.17059	2.0
289.17957	6.4
291.19553	1.4
305.18781	1.0
307.19022	1.2
335.25751	1.8
363.21814	1.0
389.18051	1.1
391.18988	1.0
401.17456	1.6
402.18634	1.4
403.19318	2.7
404.20050	1.7
405.20969	1.3
406.21750	1.3
407.22363	2.3
414.18484	1.1
415.19247	3.3
416.20010	3.4
417.20825	4.5
418.21381	3.0
419.22241	2.0
421.24222	1.5
429.20920	3.1
430.21460	3.3
431.23148	4.6
433.24448	6.5
435.21915	1.4
443.22784	2.2
444.23114	2.6
445.23996	3.9
447.17670	1.4
447.25500	1.2
449.23700	1.3
456.18732	1.0
458.24734	1.4
459.21924	3.3
460.22586	2.1
461.19803	3.0
462.20331	5.2
463.21078	5.9
472.22263	2.0
473.23386	3.7
474.24158	4.0
475.21545	4.8
476.21704	2.3
477.22861	17.0
478.23441	1.8
485.23871	1.6
487.25189	6.4
489.22772	1.7
491.24527	5.7
492.96323	0.9
503.24530	1.3
504.25348	1.6
505.25598	1.9
506.26678	3.1
515.24097	1.8
517.21771	1.1
519.27203	2.4
522.26038	0.9
523.27167	1.1
531.23865	1.6
532.24750	0.9
535.23083	1.9
545.25586	9.9
546.26202	1.3
547.27075	21.7
549.25055	15.7
550.25781	22.0
563.26190	5.3
564.27100	2.1
577.28094	1.9
579.29742	10.6
581.26202	1.2
591.26086	15.7
599.27710	1.3
605.27625	24.1
623.28674	100.0
623.44446	2.6
624.29382	4.4
641.28510	4.2
641.44238	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	641.2974
Annotation	Crooksiine
Peak:m/z	Relative Intensity
55.05514	0.5
59.05014	0.7
62.88564	0.4
64.82227	0.4
65.09634	0.4
67.04538	0.4
67.05506	1.4
69.07088	0.5
70.75729	1.1
74.63712	0.5
79.05516	0.9
81.07053	1.0
91.05478	0.8
93.07031	0.9
95.08617	0.7
98.38842	0.5
105.07036	0.9
107.08587	0.7
110.61421	0.4
121.10174	0.6
145.10161	0.5
184.07379	0.4
201.85634	0.4
240.29048	0.5
312.15039	0.5
367.20163	0.5
377.17755	0.4
379.19406	0.6
391.19415	1.3
392.20306	0.8
393.20862	1.8
398.06586	0.4
405.16586	2.6
405.21765	0.7
406.17749	1.2
407.22696	3.8
419.18350	2.9
419.23547	0.8
420.19492	1.6
421.20218	4.5
423.21869	1.3
431.26617	0.5
433.20288	5.3
433.24527	0.5
434.21289	4.4
435.22052	6.4
436.22699	1.3
447.21951	1.5
449.19598	8.0
451.21671	0.7
462.20621	0.9
463.21204	4.0
464.22296	1.4
467.24435	0.6
477.23108	0.8
479.20352	1.1
481.22552	1.9
493.21951	2.2
494.23108	2.6
495.23795	3.1
507.24176	1.0
509.25735	0.5
521.25885	10.1
522.26038	0.6
526.25439	0.5
535.23724	1.0
539.22998	1.1
543.37292	0.5
549.25238	0.7
553.25995	0.9
563.22491	2.6
581.27832	16.6
582.28394	0.9
609.25568	0.8
623.25439	2.0
641.29742	100.0
642.30115	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	641.2973
Annotation	Moluccensin F
Peak:m/z	Relative Intensity
55.05509	1.3
57.28072	1.0
62.35740	0.9
65.98685	1.1
66.00093	1.1
67.05503	2.0
70.75582	1.9
70.75918	1.7
71.35014	0.9
79.05494	2.1
81.07059	1.5
87.61968	1.0
91.05515	1.5
93.07040	1.0
105.07062	1.8
107.08637	1.2
134.68510	1.0
183.09265	1.2
185.10788	2.2
197.10709	1.6
208.11305	1.3
209.10678	1.6
210.11464	2.3
211.12347	2.1
211.77196	1.2
223.12292	2.7
224.13054	2.1
225.10298	1.0
225.13821	3.4
227.11804	1.7
237.13870	3.7
238.14749	1.7
239.15508	3.6
246.62892	1.0
251.15509	2.0
275.15125	1.4
276.15076	2.1
290.16479	3.4
292.18124	1.5
304.14529	1.5
305.18845	2.2
307.10757	1.4
318.16098	2.0
319.16827	1.9
326.13144	1.2
330.16321	1.5
331.18015	1.6
332.17502	1.7
333.18420	1.7
342.16159	1.6
344.17731	1.8
346.19354	2.2
347.20059	1.0
369.14767	1.3
375.19727	1.3
377.18207	1.3
384.16998	3.6
389.17407	1.4
391.19247	1.7
392.19736	5.1
393.20578	2.1
401.17560	1.5
403.19012	1.5
405.20944	1.9
406.20996	4.8
407.22235	8.7
408.23160	2.4
412.16644	2.9
415.19220	2.0
417.21298	2.6
418.21548	1.2
419.22153	3.6
420.22638	3.4
421.23709	10.4
422.24509	12.1
429.20966	1.6
431.22592	1.5
433.17310	1.5
433.23843	3.0
434.17886	1.8
434.24380	9.0
435.21976	3.3
444.18726	6.0
446.25146	1.1
447.17773	2.1
448.20734	1.2
459.21515	3.2
460.23065	1.1
461.18942	1.6
462.20441	3.2
463.21271	11.0
472.20959	1.1
473.23453	2.9
475.21576	5.5
476.20184	1.9
477.22922	7.6
485.23245	1.4
487.24939	3.0
491.24207	3.0
493.21329	1.2
494.26761	3.6
495.27664	3.0
505.25577	1.6
508.22287	4.0
517.22583	1.9
519.20361	1.3
519.27576	1.5
520.22028	1.4
523.26599	1.9
545.25684	8.5
546.26202	1.8
547.27075	10.1
549.24939	21.4
550.25891	6.7
561.21045	3.4
563.26685	8.4
564.27216	2.2
565.27991	1.7
573.25159	1.4
576.23395	1.6
579.29871	2.6
591.26105	57.6
592.26093	2.7
595.28949	1.2
605.27728	7.6
609.27051	20.1
623.28674	100.0
624.28455	4.1
641.29688	13.4
662.42767	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83750	0.5
55.05519	0.7
67.05527	0.8
70.89991	1.3
79.05514	1.3
81.07071	1.3
86.09736	0.5
90.28331	0.5
91.05487	1.7
93.07064	1.0
95.08618	0.9
105.07045	0.7
106.04182	0.4
106.79259	0.5
119.08584	0.8
120.08113	0.5
121.10189	1.0
141.20586	0.5
183.09283	0.5
209.10905	0.6
223.12340	1.0
225.10274	0.9
225.13736	0.6
227.11862	1.4
235.12280	0.6
237.13943	1.0
238.14743	0.8
241.09830	1.1
249.10379	0.7
253.09708	0.6
261.13748	0.5
265.13358	0.8
267.11349	0.5
269.12955	2.4
278.49573	0.6
279.07813	0.6
294.10025	0.8
295.11020	0.5
307.07416	0.7
313.15924	0.6
326.13254	0.6
339.09796	4.0
342.16324	0.6
345.18073	0.6
354.16156	0.8
358.19543	0.9
367.09521	2.4
377.17813	0.7
385.10278	2.7
386.18738	0.8
391.19376	1.4
396.16977	1.0
404.16119	0.8
405.21671	0.7
406.22177	1.3
412.20328	1.7
414.18463	0.7
418.18167	1.7
419.18109	2.7
421.24173	0.8
430.21228	5.1
433.20410	2.9
434.21167	2.1
435.22333	0.9
436.18750	0.8
446.17685	0.7
447.17984	1.8
447.23108	0.8
448.22925	1.6
449.23660	1.1
452.23389	0.6
461.19470	10.3
462.20523	3.3
463.21405	1.3
465.19659	2.1
467.24863	2.4
475.21661	1.5
476.22275	2.5
477.23157	3.1
479.20947	1.5
480.21613	1.0
491.20981	1.6
493.22449	1.5
494.22870	3.5
495.23938	1.7
503.21597	0.6
504.21869	1.0
507.24066	0.9
521.22382	1.8
537.25586	0.7
547.26453	0.7
548.24261	3.8
549.24969	2.0
550.22406	0.8
553.28571	1.5
563.26715	4.9
565.25085	2.7
576.24188	0.9
580.23730	1.0
581.27759	9.8
591.22675	1.6
597.27179	0.9
608.26483	2.0
609.25171	4.2
623.25165	5.0
624.26355	0.6
626.27087	1.1
641.29761	100.0
642.30200	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	641.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83750	0.5
55.05519	0.7
67.05527	0.8
70.89991	1.3
79.05514	1.3
81.07071	1.3
86.09736	0.5
90.28331	0.5
91.05487	1.7
93.07064	1.0
95.08618	0.9
105.07045	0.7
106.04182	0.4
106.79259	0.5
119.08584	0.8
120.08113	0.5
121.10189	1.0
141.20586	0.5
183.09283	0.5
209.10905	0.6
223.12340	1.0
225.10274	0.9
225.13736	0.6
227.11862	1.4
235.12280	0.6
237.13943	1.0
238.14743	0.8
241.09830	1.1
249.10379	0.7
253.09708	0.6
261.13748	0.5
265.13358	0.8
267.11349	0.5
269.12955	2.4
278.49573	0.6
279.07813	0.6
294.10025	0.8
295.11020	0.5
307.07416	0.7
313.15924	0.6
326.13254	0.6
339.09796	4.0
342.16324	0.6
345.18073	0.6
354.16156	0.8
358.19543	0.9
367.09521	2.4
377.17813	0.7
385.10278	2.7
386.18738	0.8
391.19376	1.4
396.16977	1.0
404.16119	0.8
405.21671	0.7
406.22177	1.3
412.20328	1.7
414.18463	0.7
418.18167	1.7
419.18109	2.7
421.24173	0.8
430.21228	5.1
433.20410	2.9
434.21167	2.1
435.22333	0.9
436.18750	0.8
446.17685	0.7
447.17984	1.8
447.23108	0.8
448.22925	1.6
449.23660	1.1
452.23389	0.6
461.19470	10.3
462.20523	3.3
463.21405	1.3
465.19659	2.1
467.24863	2.4
475.21661	1.5
476.22275	2.5
477.23157	3.1
479.20947	1.5
480.21613	1.0
491.20981	1.6
493.22449	1.5
494.22870	3.5
495.23938	1.7
503.21597	0.6
504.21869	1.0
507.24066	0.9
521.22382	1.8
537.25586	0.7
547.26453	0.7
548.24261	3.8
549.24969	2.0
550.22406	0.8
553.28571	1.5
563.26715	4.9
565.25085	2.7
576.24188	0.9
580.23730	1.0
581.27759	9.8
591.22675	1.6
597.27179	0.9
608.26483	2.0
609.25171	4.2
623.25165	5.0
624.26355	0.6
626.27087	1.1
641.29761	100.0
642.30200	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	640.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03046	2.5
53.03941	5.4
55.05513	22.2
57.03441	16.6
57.07080	51.5
59.04999	11.0
65.03939	4.3
67.05509	56.8
69.07076	27.7
69.17359	13.0
69.17770	9.0
71.04980	4.3
71.08640	33.7
71.42042	1.9
76.49004	2.3
79.05495	42.8
81.03428	3.1
81.07063	71.2
83.04990	6.8
83.08627	23.4
85.06566	4.0
85.10192	16.1
89.06019	3.6
91.05489	43.3
93.07050	45.9
95.04964	9.1
95.08611	45.1
97.06516	11.3
97.10166	10.8
99.08074	3.5
105.07047	33.2
107.04999	3.5
107.08607	23.7
109.06555	7.0
109.10152	20.6
111.08073	4.5
117.07018	18.0
119.08593	24.2
121.06444	2.9
121.10157	20.5
123.11710	8.2
125.09639	2.9
128.06252	3.2
129.07008	5.0
131.08560	15.3
133.08618	2.9
133.10121	20.5
135.08020	2.4
135.11746	13.0
143.08646	5.3
145.10133	12.9
147.11668	12.8
149.09637	4.4
149.13271	7.4
157.10126	7.6
159.11707	13.7
161.13338	5.1
163.11183	5.3
169.10266	2.8
171.11679	5.1
173.13254	5.5
177.12729	3.6
185.13269	6.5
195.13835	5.3
203.14293	4.1
217.15912	5.5
219.17381	4.7
239.18021	3.9
239.23842	4.9
255.15933	10.1
257.19031	12.0
269.17477	16.4
275.20105	32.0
293.21243	2.6
309.20749	5.8
311.25940	6.4
313.27386	100.0
349.23734	21.3
351.20837	2.6
367.24817	2.8
493.38879	12.3
505.38916	8.6
507.40457	58.0
547.43610	29.1
587.46881	12.0
591.04956	2.7
605.47620	5.1
639.92993	2.8
640.44330	28.7
640.94189	10.8
641.25085	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	640.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.4
55.06802	0.3
56.05046	0.7
66.71094	0.3
67.04253	0.4
68.04678	0.4
68.05029	6.5
69.03432	0.5
69.30708	2.6
70.06595	4.5
72.08140	1.9
81.03413	0.4
81.07069	0.5
82.05324	1.3
83.04995	0.4
83.06107	1.2
84.04521	1.0
84.08149	3.9
85.02912	0.7
86.09702	2.4
91.05476	0.8
93.07057	0.6
95.06094	83.4
98.06055	0.4
98.21630	0.5
102.05521	0.4
103.05475	0.4
105.07037	0.3
110.07170	0.9
111.04477	0.3
112.08736	12.7
114.94307	0.3
117.03349	0.5
119.04935	0.6
120.08118	1.3
121.06506	0.8
123.04422	0.7
129.10233	2.1
133.02866	1.1
135.04427	0.8
136.07597	0.6
137.05981	2.7
138.06631	100.0
145.02895	2.2
145.10172	0.4
147.04340	0.9
149.06000	0.7
150.06769	2.0
150.07777	0.3
159.04413	0.5
163.03961	0.6
164.04715	0.4
173.02425	0.7
175.03923	0.6
176.04707	0.9
177.05469	4.8
179.67003	0.3
187.03998	1.1
191.03426	0.8
192.06561	0.7
207.06535	0.4
264.10315	0.4
266.05862	0.3
286.11853	0.9
287.12708	0.8
288.13467	1.7
294.05243	0.6
304.03644	0.4
309.07730	1.1
311.09183	1.1
319.05942	0.6
337.07199	1.2
430.14218	0.6
448.15045	26.5
449.15540	0.6
463.08014	0.3
466.16104	1.4
574.16339	0.4
594.20923	2.7
622.20435	8.1
623.20117	0.4
640.21271	31.2
641.21851	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.3
64.55589	0.6
65.03912	1.5
67.05507	3.2
68.05027	3.6
68.99763	0.6
69.03406	1.1
69.35045	4.5
70.06605	4.2
72.08162	2.5
72.70483	0.5
73.02738	0.4
74.06044	0.7
83.04983	7.5
83.06062	1.4
84.08163	3.3
85.02910	3.0
86.09690	0.9
91.05414	0.6
93.03370	1.8
95.06094	48.0
110.07111	0.8
111.04471	3.9
111.13673	0.6
112.08733	22.7
112.11205	1.4
115.05399	0.7
121.02836	0.7
123.04371	1.6
129.10207	1.6
136.07512	0.7
137.05966	0.9
138.06630	31.1
139.03860	0.6
143.04895	1.6
143.77483	0.6
147.04369	1.7
151.03938	3.6
161.05984	3.9
177.05457	0.6
177.06990	1.6
181.06422	1.4
189.05469	8.5
189.07028	1.3
194.07321	0.6
195.08029	1.9
203.03424	0.9
205.06468	5.1
207.08174	0.5
210.06757	1.2
213.05377	1.1
219.08025	1.8
220.05249	0.7
221.06013	4.0
222.06720	1.9
222.11172	0.7
223.07535	9.9
231.02940	0.8
233.05905	3.1
234.06845	1.1
235.07568	2.0
237.05496	1.4
237.09105	1.8
238.06241	3.4
239.07059	1.1
245.04330	0.5
246.12360	2.4
247.07635	2.9
248.04649	1.3
249.05472	6.2
250.06259	10.5
251.07054	15.1
255.36517	0.6
261.05579	1.1
263.06995	3.2
265.08588	6.1
266.05771	20.7
267.06369	0.9
268.07452	0.6
277.04950	8.3
278.05753	8.7
279.06522	12.7
280.06665	0.5
281.08115	2.2
283.09735	1.2
291.06635	1.5
293.08069	12.3
294.05234	44.0
295.05872	1.8
296.06915	1.1
296.10309	3.9
309.07565	69.4
310.07983	1.4
311.09146	79.8
312.08832	4.5
319.05972	1.0
322.04852	2.0
337.07062	66.9
338.07358	1.7
355.08136	6.0
406.14005	16.8
435.21478	0.6
448.15128	3.8
466.15994	1.0
529.13367	1.9
594.20923	1.8
596.34344	1.2
617.12292	0.6
622.20227	2.6
640.21393	100.0
641.21570	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	640.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.5
56.05032	0.4
65.03944	0.7
67.04219	0.3
67.05489	1.5
68.03777	0.3
68.05034	6.2
69.03414	0.6
69.34219	2.7
70.06584	1.7
72.08146	1.3
81.04549	0.6
82.05309	0.4
83.05003	2.6
83.06093	1.2
84.04502	0.6
84.08135	1.5
85.02904	1.3
86.09702	0.7
93.03391	0.7
95.06095	71.7
97.02853	0.4
105.37607	0.3
110.07156	0.7
111.04456	1.5
112.08734	20.8
112.11236	0.4
123.04430	0.8
129.10257	0.5
129.99785	0.3
136.07600	0.4
137.05968	0.8
138.06631	100.0
140.07053	0.4
143.04924	0.5
145.02849	0.6
147.04466	0.4
151.03906	1.0
152.07069	0.6
161.06027	0.9
167.08524	0.4
175.03906	0.5
176.09157	0.6
177.05478	1.3
177.06931	0.6
181.06541	0.4
181.58771	0.4
189.05487	3.4
195.08015	0.5
197.06020	0.4
197.12735	0.3
203.03395	0.5
205.06500	2.7
210.06664	0.4
213.60204	0.4
219.08154	1.0
220.05197	0.4
221.06029	1.5
222.06781	0.9
223.07512	4.0
233.06082	0.9
234.06758	0.7
235.07616	0.9
237.09142	0.8
238.06271	1.0
246.12408	2.5
247.07616	1.0
248.04901	0.6
248.08234	0.4
249.05478	3.0
250.06342	4.0
251.07054	6.2
261.05545	0.4
263.07065	1.4
265.05011	0.4
265.08615	2.6
266.05765	6.4
268.07370	0.4
277.04971	2.6
278.05780	4.1
279.06549	5.3
281.08182	1.0
283.09839	0.6
288.13577	0.8
291.06454	0.5
293.08066	5.0
294.05249	12.5
294.08240	0.5
295.05847	0.6
296.10312	1.4
309.07565	20.3
311.09146	32.2
312.08862	2.5
319.05936	0.6
322.04767	0.4
337.07047	16.5
355.08188	1.3
406.13950	8.1
430.13959	0.5
448.15082	13.5
449.15579	0.7
466.16138	0.6
511.39322	0.4
523.87244	0.5
529.13458	0.5
594.20831	1.1
622.20056	2.4
640.21411	37.8
641.21570	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	640.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03445	0.2
56.05028	0.4
56.39445	0.2
65.03936	0.2
67.04239	0.4
68.04680	0.4
68.05032	6.9
69.35509	0.5
69.35915	1.5
70.06262	0.2
70.06599	2.7
71.53629	0.2
72.08150	0.9
81.04554	0.3
82.05330	1.1
83.04977	0.4
83.06099	1.1
84.04514	0.5
84.08145	1.4
85.02910	0.5
86.09724	1.1
91.05485	0.3
93.07058	0.4
94.05321	0.4
95.06098	78.2
96.06380	0.3
96.06914	0.4
96.67319	0.2
98.21587	0.5
110.07169	0.4
112.08739	16.0
116.07060	0.6
117.03371	1.4
119.04928	0.5
120.08157	0.4
129.10222	0.3
131.04907	0.3
133.02866	1.0
135.04454	1.0
136.07619	0.5
137.05991	2.2
138.06636	100.0
139.06929	0.7
145.02843	4.1
147.04422	0.8
148.05258	0.3
149.05992	1.0
150.06754	2.1
158.03577	0.3
159.04468	0.4
161.02385	0.7
163.03928	0.5
173.02423	0.7
175.03902	0.6
175.06252	0.3
176.04710	1.2
176.07056	0.4
177.05495	8.7
187.03941	1.9
191.03432	0.4
192.06636	0.6
193.07457	0.4
221.06003	0.6
249.05556	0.8
258.12476	0.5
266.05762	0.3
270.12662	0.3
281.08517	0.3
286.11942	1.1
287.12613	1.7
288.13437	4.6
294.05191	0.7
309.07507	1.3
311.09171	0.8
317.06458	1.2
319.05954	0.5
337.07104	1.5
430.14014	0.6
448.15085	29.5
449.15436	0.7
466.15860	0.3
576.11145	0.3
622.20331	6.0
640.21375	18.9
641.21600	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.3
65.03921	0.3
67.04237	0.3
67.05501	0.5
68.05032	6.9
70.06590	2.0
71.49745	0.3
72.08147	0.9
81.04557	0.3
81.95285	0.2
82.05324	1.0
83.04977	0.8
83.05692	0.2
83.06085	1.0
84.04485	0.3
84.08144	0.8
85.02901	0.4
86.09718	0.6
89.03897	0.4
91.05465	0.4
94.05344	0.5
95.06093	77.4
96.06915	0.4
98.32073	0.2
103.05482	0.3
105.03367	0.2
107.05042	0.2
110.07162	0.7
111.04468	0.3
112.08730	16.2
112.67016	0.2
117.03384	1.2
119.04955	0.4
120.08086	0.4
121.06512	0.4
129.10248	0.3
131.04913	0.3
133.02866	0.8
134.03600	0.3
135.04448	0.9
137.05988	1.9
138.06628	100.0
139.06970	0.9
145.02858	4.2
147.04373	0.4
148.05197	0.3
149.05984	1.0
149.50108	0.2
150.06779	1.8
151.03926	0.3
159.04427	0.4
161.02335	0.3
163.03973	0.4
173.02443	0.6
175.03906	0.3
176.04713	0.9
176.07024	0.4
177.05481	8.4
187.03954	1.6
191.03314	0.4
192.06546	0.6
193.07353	0.4
195.51048	0.2
205.06348	0.2
221.06039	0.4
226.09787	0.3
229.09312	0.2
249.05574	0.3
250.06305	0.3
258.12238	0.5
266.05823	0.3
270.12427	0.3
277.04941	0.4
281.08289	0.2
286.11758	1.3
287.12646	1.3
288.13419	4.2
294.05243	0.4
302.04279	0.4
309.07620	1.1
311.09189	0.6
317.06503	1.0
319.06186	0.4
323.83191	0.2
337.07037	1.9
397.96649	0.2
402.14221	0.2
430.14203	0.4
448.15057	27.0
449.15262	0.8
466.16263	0.7
594.20868	1.7
622.20300	5.6
640.21393	20.9
641.21545	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67588	0.2
55.01872	0.3
55.05512	2.1
56.05033	0.2
57.05793	0.3
57.07063	1.0
58.06604	6.8
59.22460	0.2
59.98488	0.2
67.05497	0.7
69.03400	0.4
69.07066	0.5
70.06596	0.8
72.08162	11.6
73.06558	2.4
79.05489	0.8
81.07050	0.7
83.04984	2.1
83.08624	0.3
84.08129	0.5
85.08928	0.4
86.09711	21.0
91.05492	0.8
93.07050	0.7
95.08595	0.5
96.08152	0.2
96.61015	0.2
98.06063	0.6
98.21534	0.6
100.11263	100.0
101.06026	2.6
101.11597	0.8
105.07018	0.3
119.08588	0.5
126.12782	0.3
128.10735	0.6
131.08638	0.4
140.14357	3.5
143.08238	0.4
144.10246	0.5
146.11749	2.4
154.12296	1.7
154.15887	0.4
172.13341	3.0
181.08607	0.3
182.11858	0.4
183.11867	0.2
200.12888	0.8
200.16481	1.6
210.14981	0.3
211.14442	0.4
214.14499	0.9
228.15953	7.0
245.18600	0.4
285.21753	6.0
285.24838	0.4
295.20444	0.4
299.23328	9.2
309.21991	0.3
313.21194	0.7
327.22794	15.8
328.23227	0.3
339.26428	0.3
367.26016	0.5
395.25525	1.5
412.31909	0.5
440.31210	3.2
458.32266	5.9
480.13757	0.3
484.34015	0.7
498.35898	0.4
512.33282	0.6
521.40063	0.3
526.34760	0.6
540.36719	0.4
597.27179	0.5
606.28326	0.5
607.25500	0.8
611.43811	30.2
612.44299	1.3
621.26672	0.9
639.28479	1.7
639.43298	7.4
640.43469	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	0.9
57.17549	0.7
59.05005	2.3
67.04229	0.8
67.05498	2.1
69.17854	7.8
79.05503	0.9
81.07058	1.7
89.06043	1.0
91.05498	1.0
92.42500	0.7
92.71568	0.7
93.07095	1.3
98.20735	1.5
105.07027	1.1
109.10162	1.3
119.85293	0.7
121.10162	0.9
210.86462	0.8
377.17822	1.1
390.18378	1.5
391.19171	4.7
392.20209	1.5
404.20953	1.4
405.20853	11.0
406.21576	4.3
419.22263	2.7
420.23196	5.3
421.23679	4.8
431.18344	1.3
433.20389	3.4
434.24713	1.3
435.18433	1.5
436.19067	2.8
445.20145	1.5
446.21091	1.1
447.21674	1.8
448.22928	1.1
449.20090	2.1
450.20364	2.8
451.15384	1.1
451.21561	2.3
452.22177	3.9
460.22681	2.4
463.21692	1.4
464.22305	1.4
465.22903	41.4
466.23026	1.1
467.36359	0.9
473.19913	2.3
475.25677	1.5
477.19318	1.1
477.27066	2.1
478.23685	1.4
479.24463	7.3
480.25232	4.8
487.21609	1.2
488.22073	2.1
491.20297	1.8
492.21249	3.6
493.26007	4.3
503.24503	26.6
504.24765	2.1
505.22397	2.1
519.23877	1.5
521.25568	14.3
537.25061	7.5
547.23206	1.5
565.24493	48.9
566.24994	2.1
568.91327	0.9
579.25885	2.5
580.26837	21.2
607.25604	18.0
621.27069	2.6
639.28174	100.0
640.28473	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	639.2821
Annotation	Moluccensin G
Peak:m/z	Relative Intensity
55.01869	1.1
55.05521	2.3
59.04971	1.4
67.05502	3.6
68.05824	1.1
69.07063	1.1
70.16091	2.9
79.05521	5.4
81.03423	2.0
81.07043	3.3
83.08601	1.7
91.05486	2.2
93.07041	2.3
95.08608	2.6
101.87051	1.0
105.04520	1.2
105.07033	2.8
107.08581	1.5
109.10131	1.2
117.06944	1.2
120.08126	2.5
121.06506	1.3
121.10167	1.3
134.06036	7.8
145.10072	1.4
148.63609	1.0
164.11009	1.1
172.03920	2.6
173.10701	1.3
189.11224	1.2
204.06552	4.5
207.09077	2.1
208.09998	1.2
209.10757	4.4
210.11526	2.2
211.12195	1.6
216.06416	1.1
221.10732	2.0
222.11461	2.1
223.08630	1.1
223.12355	4.6
224.13159	1.6
225.10260	1.4
225.13850	7.6
226.14607	2.0
234.11456	1.4
235.08644	2.4
235.12247	1.8
237.10167	3.3
237.13870	5.7
238.14532	1.9
239.15381	1.2
247.12442	1.6
249.10216	6.2
249.13870	2.0
251.08249	2.1
251.11761	3.8
263.08182	2.7
263.12094	1.2
265.09665	2.8
265.13306	1.3
269.12869	1.6
275.08102	1.2
276.15869	1.1
277.09787	1.7
279.11234	2.0
281.09140	1.5
295.10767	1.2
298.70953	1.0
326.12915	1.7
337.11819	5.2
338.12698	2.0
339.13644	2.7
340.14453	1.2
354.12244	1.4
366.16037	1.7
368.17795	1.7
370.15460	1.4
387.16428	1.3
388.17273	1.3
389.17975	1.6
393.16705	1.7
411.16257	1.3
415.15045	2.0
416.16110	2.5
417.16946	4.1
428.16537	1.4
429.17105	3.7
430.17822	4.1
431.18613	5.8
432.19333	1.3
433.19931	1.5
439.15668	1.4
443.19083	2.4
444.19635	3.4
445.20120	4.5
446.20911	4.0
447.21796	5.2
450.20242	1.5
454.17578	2.7
457.16043	1.7
458.21436	1.3
459.22488	6.2
460.22589	1.6
461.23706	1.5
471.18250	1.6
472.18958	4.9
473.18863	2.0
473.23941	1.7
474.20258	4.5
475.20920	6.2
476.21982	1.5
487.21460	11.1
488.22046	1.2
489.23013	2.1
490.19412	1.3
500.17819	3.2
501.22577	4.5
502.20325	2.0
505.23120	1.9
506.22910	4.3
515.20569	3.0
519.24066	5.8
529.22168	3.6
532.20734	4.5
533.25854	1.7
534.22485	2.7
547.23468	19.8
548.23541	1.7
551.26587	1.4
561.24994	44.3
562.25250	2.4
563.26453	3.8
564.23718	5.1
575.22821	2.2
589.24725	7.7
596.26044	1.8
607.25598	100.0
608.26166	5.4
611.28607	6.1
621.27148	57.5
622.27313	3.1
639.27557	21.8
639.39764	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	639.282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	3.3
59.05003	4.5
69.07084	1.4
69.51068	6.7
71.08630	3.4
73.02910	3.2
73.06578	2.3
81.07068	0.9
81.43449	0.8
85.10191	2.0
87.04471	2.0
88.45917	0.8
89.06036	17.7
107.68552	1.0
117.09158	1.5
133.08607	7.9
155.09924	1.6
177.11244	3.7
199.12531	1.2
234.63081	0.9
311.13968	1.7
316.70154	0.9
337.45465	1.0
338.13245	1.2
371.16241	1.2
375.16299	1.0
386.18793	1.2
389.17957	2.8
390.18414	2.9
391.19211	2.8
396.86554	1.0
400.20175	1.4
403.19479	3.4
404.20389	3.5
405.20715	17.4
405.25650	1.5
406.21609	1.3
416.20288	1.0
417.21118	2.0
418.21771	2.6
419.22421	10.7
420.22861	4.9
431.22522	1.6
432.23416	1.1
433.24197	4.8
434.24988	5.2
435.18277	2.1
447.22141	5.1
448.19064	1.5
449.19647	10.0
450.20447	4.1
451.21603	1.1
460.21777	1.1
463.21301	10.5
464.21954	6.5
465.23010	9.0
475.20898	2.5
477.23050	6.2
478.23828	8.5
479.24469	35.6
480.24973	3.4
487.21396	3.2
488.21793	1.8
491.20444	3.6
491.25864	1.4
492.25739	4.5
493.26016	27.9
501.22900	2.5
502.22897	1.5
503.24670	2.9
505.22586	2.4
519.23730	4.0
520.23743	1.4
523.23438	15.2
525.25085	1.6
537.25031	37.5
538.25488	1.4
547.23419	8.8
548.24762	1.2
549.21002	1.6
551.26587	22.7
552.27332	100.0
553.27643	3.5
562.23920	1.1
564.23566	1.3
579.25995	10.5
607.25433	14.9
611.27332	1.3
621.26703	1.9
639.28143	96.0
640.28418	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	639.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.3
59.05004	0.7
67.05503	1.6
69.36332	1.9
69.36753	2.5
76.55772	0.5
79.05486	1.2
81.03407	0.6
81.07053	1.1
91.05493	0.8
93.07023	1.0
95.08595	0.8
105.07024	1.7
107.08589	1.0
110.92822	0.5
130.06522	0.7
132.08086	0.5
144.95491	0.5
157.59874	0.6
184.07344	0.6
197.10754	0.6
208.09854	0.7
209.10796	1.4
210.11516	0.9
211.08669	0.6
211.12248	1.3
220.09966	0.6
221.10738	1.9
222.11481	1.3
223.12242	3.0
224.13107	1.2
225.06604	0.7
225.13777	1.6
226.14578	0.8
233.10722	0.9
235.12340	2.0
236.13069	1.8
237.13884	4.7
238.14639	2.3
239.15439	1.9
243.52563	0.6
249.13893	1.9
250.14783	0.8
251.11870	1.0
251.15419	3.3
252.16316	0.6
253.16875	1.4
261.10275	0.7
261.13867	3.2
262.14587	1.2
264.12601	1.0
275.15399	0.6
276.15164	0.6
277.13190	1.2
279.14902	2.4
281.12869	0.6
288.15237	0.8
289.17044	0.7
299.10284	1.6
299.15320	1.0
302.16461	0.8
309.12616	0.7
312.15018	1.3
330.15808	0.7
338.15961	0.7
341.15298	0.6
350.16846	0.7
351.16711	0.7
352.17822	0.6
362.16507	0.6
364.17566	1.1
365.17773	0.9
378.14767	0.8
378.19516	1.2
379.19388	1.9
389.17389	0.6
392.16336	1.0
393.16931	1.8
393.21313	1.2
395.18414	1.2
395.22903	0.7
406.18213	1.1
407.18356	2.7
408.19495	1.1
409.20181	1.7
410.20859	1.7
417.16882	0.9
419.14401	0.8
419.19168	0.8
420.15610	0.7
421.20255	2.3
422.21301	3.1
423.22031	3.0
424.20950	0.7
431.18661	1.6
432.19144	0.6
433.15967	1.1
434.17432	1.3
435.17477	2.8
436.18225	1.1
437.19440	1.3
447.21500	0.7
448.20178	0.7
449.19348	2.6
450.20590	1.7
451.21515	2.0
460.19186	0.5
461.19684	1.0
463.17471	0.9
463.21887	0.9
467.20169	1.1
468.21530	1.0
473.19424	0.6
475.21194	2.3
477.19275	0.9
478.19843	0.8
479.20441	1.1
481.25723	1.8
482.23016	0.8
483.23663	1.3
489.19312	1.3
491.20779	1.8
493.22366	1.6
494.23502	3.2
495.24158	1.3
496.24182	1.0
502.21219	0.7
503.24216	1.7
505.22183	0.9
506.39026	1.4
509.25684	18.0
510.25479	1.2
519.24506	3.0
520.22205	0.7
521.21735	1.6
522.22803	1.0
526.27185	1.3
533.21783	0.8
535.26727	2.2
536.24933	1.0
537.25146	13.2
541.28278	0.7
547.23022	2.0
550.22223	0.8
551.26721	5.4
552.24890	0.7
561.24744	2.5
562.25403	0.9
563.26202	2.5
565.24542	14.8
567.29205	1.8
569.27722	19.8
579.26123	4.9
589.24255	0.9
595.29224	1.0
596.26599	3.4
597.27100	100.0
598.27551	4.0
607.25562	8.6
611.28668	12.1
621.27264	5.0
622.27942	3.9
639.28253	26.3
639.40411	1.6
640.28247	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2819
Annotation	Moluccensin G
Peak:m/z	Relative Intensity
52.14786	0.5
54.55430	0.5
57.02294	0.4
58.86492	0.5
59.05014	0.9
67.05507	1.3
71.08636	0.8
73.02915	0.8
79.05503	1.1
81.07053	0.8
89.06044	1.6
91.05495	0.8
93.07048	1.3
93.61097	0.5
98.21629	0.9
105.07035	1.0
106.84689	0.4
120.08160	0.5
122.09711	0.5
133.08624	0.9
134.06108	0.6
149.29443	0.4
163.06485	0.5
197.10860	0.7
209.10869	0.5
211.12465	0.5
221.10930	0.8
223.12361	1.4
225.10255	0.6
229.51308	0.5
235.12265	0.5
237.13966	1.3
238.14754	1.7
249.13925	0.7
253.13535	0.5
316.14954	0.5
330.15964	0.6
354.16434	0.6
377.17545	0.8
379.19388	1.1
388.17032	0.6
390.18817	0.9
391.19351	1.8
392.20453	1.1
393.21439	1.0
403.19470	1.6
404.20676	0.8
405.17105	1.6
405.21054	1.9
406.17514	0.8
407.22897	3.9
415.19534	0.7
418.17715	1.0
418.22412	0.8
419.18292	4.0
420.19159	1.1
421.20438	3.4
422.21274	0.6
427.19156	0.7
429.16675	0.7
431.18692	2.0
432.19067	1.1
433.20300	9.8
434.21234	5.4
435.22278	6.3
436.22592	1.7
443.19144	0.6
445.20355	1.7
446.20993	1.4
447.22000	1.9
448.22739	0.7
449.19547	6.6
450.20395	1.1
451.21454	0.6
459.17377	0.6
460.22769	0.8
461.24307	2.3
462.20624	0.9
463.21402	2.2
464.22488	2.3
465.23120	3.7
466.24399	0.6
471.17984	0.6
473.24023	5.1
474.19708	0.8
475.21027	1.0
477.19238	1.1
478.20093	0.7
479.25592	2.3
480.24860	0.6
486.20822	0.7
487.21750	0.8
488.22287	1.6
489.23016	1.1
491.20691	1.0
492.21259	3.5
493.21777	3.7
501.23138	3.6
502.20062	0.7
503.24609	3.7
505.22354	2.3
506.23318	1.3
507.24002	6.5
509.25797	0.6
519.23999	1.8
520.24841	1.5
521.25769	8.0
522.26001	0.6
523.27026	0.6
529.22498	0.8
531.23895	4.1
533.22083	1.1
537.24988	1.5
547.23468	3.3
548.24146	2.0
551.26166	2.1
552.25079	0.6
553.29395	0.6
557.21765	0.9
561.25067	1.4
565.24445	5.5
569.27631	0.7
575.23004	10.1
579.26111	20.3
580.26648	3.3
581.27466	2.2
589.25000	0.8
597.27246	5.8
607.25592	37.6
608.26147	2.2
611.29156	1.3
621.27338	2.1
639.28241	100.0
639.40002	6.7
640.28546	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	639.2817
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
67.05502	0.3
69.63206	0.6
69.63633	0.8
79.05489	0.3
79.23349	0.2
81.07053	0.3
91.05482	0.3
93.07053	0.2
95.08590	0.4
98.21490	0.4
111.06622	0.2
112.34422	0.3
113.75549	0.2
130.06480	0.3
172.04086	0.3
197.10794	0.3
204.06570	0.7
209.10751	0.4
221.10841	0.3
223.08824	0.3
225.10284	0.5
237.10204	0.4
239.11842	0.6
241.13347	0.4
251.08069	0.3
251.11845	0.4
263.12006	0.3
288.11194	0.3
292.15546	0.2
314.13165	0.5
314.16672	0.4
328.14590	0.4
336.05905	0.2
340.14603	0.5
356.13748	0.3
365.17798	0.4
377.17990	0.4
379.19467	0.5
389.17932	0.3
390.18729	0.4
391.15363	0.6
391.19879	0.3
392.16263	0.5
393.17075	0.9
393.20837	0.8
402.18320	0.3
405.17215	1.0
406.17703	1.1
407.18625	2.6
407.22687	0.3
408.19537	0.4
415.19281	0.3
416.20270	0.3
417.16788	0.4
418.18304	0.4
419.14252	0.5
419.19342	1.3
420.15689	0.9
420.19791	0.8
421.20544	5.4
422.21008	1.8
423.21725	0.7
431.19208	0.5
432.19321	0.7
433.16055	0.8
433.20432	1.2
434.16498	1.4
434.22220	0.4
435.18161	2.1
435.22418	1.3
436.23004	2.3
445.16647	0.8
447.17328	0.5
447.21964	1.2
448.18631	2.2
449.19687	9.3
450.20511	2.5
451.21344	0.6
459.17908	1.3
460.19016	0.7
461.19992	1.3
462.20459	0.9
463.21622	5.8
464.22263	5.6
465.23654	1.2
473.19891	0.4
474.20450	0.8
475.21463	1.9
476.18378	0.5
476.21973	0.3
477.18738	5.6
478.19778	2.2
479.21033	0.7
481.22501	0.5
491.20233	1.1
492.21466	1.3
493.22577	1.2
495.24121	0.5
505.22827	1.1
507.24445	1.5
509.25589	0.7
519.23877	0.4
521.21979	1.0
523.23224	2.3
533.22333	1.2
535.23663	3.6
536.24402	1.1
537.22302	1.1
537.24432	1.1
547.23462	0.6
549.21381	0.5
550.25995	1.2
551.26666	2.9
552.23523	0.3
561.25165	3.9
563.23145	0.4
564.23682	4.3
565.24377	2.4
567.26184	0.5
579.26172	6.8
580.26227	0.3
581.24231	0.7
592.23199	0.6
595.25690	2.7
596.26172	0.8
597.26892	1.7
607.25476	0.9
610.27277	0.7
611.28387	0.4
621.27203	5.4
622.26239	0.4
624.25861	6.3
639.28162	100.0
640.28418	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	639.2814
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
50.17023	0.4
59.05008	0.4
67.05509	0.4
71.28415	0.6
91.05488	0.4
106.06526	0.4
108.46524	0.3
130.90651	0.3
141.60733	0.4
152.08859	0.4
182.10011	0.4
197.10970	0.4
208.09731	0.5
221.10791	0.8
223.12236	0.5
237.13795	0.5
262.93909	0.3
282.13681	0.4
282.79822	0.4
289.98029	0.4
311.14246	0.4
312.14865	0.6
324.15057	0.5
326.16269	0.4
338.16776	0.4
348.64609	0.4
353.19034	0.4
354.15952	0.5
363.16135	0.4
364.17957	0.4
375.16055	0.4
376.16965	0.5
377.17557	2.5
378.18665	1.2
379.19342	0.5
386.19162	0.8
389.17648	2.0
390.18570	2.4
391.19250	6.9
392.19965	5.2
393.20959	1.5
403.19458	1.5
404.20148	2.4
405.20770	11.4
406.21475	5.9
407.22333	15.5
408.23019	1.0
409.03568	0.3
415.19476	0.6
416.20709	0.5
417.21078	1.7
418.21820	1.5
419.22476	5.6
420.23132	6.5
421.17700	0.8
421.23871	20.8
422.17621	1.0
422.24640	4.6
430.17691	0.4
431.18506	1.1
431.23447	0.5
432.23566	0.8
433.24557	4.8
434.24832	2.3
435.18250	2.0
435.25439	1.5
436.18869	1.9
437.19727	0.9
445.20203	2.3
446.20831	0.9
447.21811	1.4
447.26239	1.0
448.26227	1.6
449.19836	1.5
449.27902	0.6
450.20520	2.1
450.26797	0.4
451.21313	16.2
452.21988	4.1
459.22046	0.6
460.22678	1.4
461.24054	1.9
463.21924	2.1
464.22122	1.6
465.22882	22.9
466.23557	3.1
473.19473	1.7
474.19894	0.4
475.21310	1.9
475.25516	1.2
476.25955	0.7
477.22946	1.0
478.23712	2.1
479.24774	2.2
487.21252	3.5
488.22311	2.2
489.22864	0.7
491.21024	2.0
491.25150	0.4
492.21216	1.4
492.26434	0.8
493.26260	3.1
501.22742	2.7
502.23560	1.4
503.24442	16.6
504.24857	2.3
505.21945	0.8
507.27600	13.7
508.28363	3.8
519.24194	1.1
523.23370	4.9
533.25262	1.7
534.22900	0.7
535.27112	19.9
536.27606	1.7
537.25006	11.5
538.25433	0.5
547.23438	0.6
551.26532	7.0
552.27338	24.4
553.27728	1.2
561.24957	4.5
562.25525	0.9
565.28088	0.5
579.26068	11.1
580.26587	3.9
593.27765	1.5
595.29120	8.0
607.24780	0.4
611.28790	0.4
621.27081	20.3
622.27466	1.1
639.28143	100.0
640.28290	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	639.2815
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
56.38915	1.6
56.45102	1.3
69.24313	11.5
69.24725	2.6
79.45196	1.6
80.81142	1.7
98.20795	2.9
124.80771	1.5
181.33148	1.7
211.12363	2.1
221.10709	2.0
223.12329	2.0
224.13025	1.8
237.13890	1.7
239.11812	1.8
253.13333	2.3
405.20987	1.7
406.21887	2.5
407.23032	2.0
408.19547	2.6
417.21207	1.7
421.24075	6.1
422.21817	1.7
423.21811	11.8
433.24121	2.7
435.17743	3.0
436.18063	2.9
436.23190	3.8
437.23700	7.5
438.24384	2.0
444.19415	3.1
448.18951	2.0
449.19516	2.0
451.21283	3.2
459.21835	16.2
460.23151	1.9
465.22870	18.1
479.20914	3.2
491.20016	1.8
492.21301	8.9
493.22302	10.6
519.23761	4.0
531.23792	1.8
547.27643	7.7
551.26624	3.6
561.24890	4.8
564.24121	2.6
579.26135	7.9
580.26666	22.7
589.24695	6.3
593.25439	2.2
596.26361	3.1
606.28375	40.7
607.25714	16.4
610.27631	1.8
611.28406	11.4
621.27142	3.0
622.28021	2.7
639.28149	100.0
640.28357	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	638.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	8.0
55.05269	4.4
55.05515	50.2
57.03439	11.4
57.07082	17.1
59.05004	7.2
64.19724	2.6
64.76499	2.9
67.05505	42.1
69.03437	5.1
69.07079	39.3
71.08621	12.3
71.50957	6.0
79.05503	37.9
81.07058	43.1
83.04974	9.1
83.08629	31.9
85.10194	4.0
91.05494	26.6
93.07044	26.4
94.20821	2.7
95.04980	2.8
95.08603	15.8
97.06514	4.3
97.10178	47.3
105.07031	17.2
107.04961	4.6
107.08609	38.7
109.06488	4.5
109.10130	15.4
111.11707	3.9
117.07026	6.9
119.08571	13.5
121.10124	10.6
123.11705	6.3
125.09631	33.1
128.71169	3.5
131.08598	8.6
133.10147	9.8
135.08083	4.6
135.11743	6.5
143.08537	4.3
145.10112	12.5
147.11760	5.6
149.09634	4.8
157.10149	3.7
159.11786	4.3
163.11259	5.9
165.12805	2.9
171.10109	5.5
173.13248	4.1
189.11217	17.9
226.10483	3.0
227.12804	100.0
240.94904	3.0
243.19688	3.9
257.18918	6.6
267.15857	9.8
273.18484	9.5
275.20111	22.7
291.19260	3.1
311.25839	62.0
311.29230	6.0
313.27408	13.7
331.22760	3.2
337.27289	5.9
347.22281	4.2
349.23785	21.6
481.35397	23.9
502.84460	2.9
521.38074	4.7
546.24579	3.2
585.45135	58.3
603.45386	3.0
638.30933	32.8
638.46613	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	638.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68549	1.1
53.00294	1.3
53.03942	6.5
55.01867	5.1
55.05516	62.4
57.03192	1.6
57.03447	16.4
57.07079	23.7
59.04995	1.6
65.03934	2.7
67.05509	65.2
69.03431	2.8
69.07072	73.4
70.56850	3.3
70.57175	1.5
71.05008	3.5
71.08632	15.5
73.02920	2.2
74.48996	1.3
79.05498	46.3
81.03410	5.3
81.07063	62.7
83.04993	11.7
83.08625	55.9
83.09131	2.3
85.06525	2.9
85.10177	7.2
87.04460	1.6
89.06034	6.0
91.05489	38.0
93.07050	53.0
95.04979	11.0
95.08613	31.7
97.06545	12.6
97.10176	36.4
99.08106	2.0
103.37610	1.1
105.04520	2.7
105.07040	33.0
107.04976	5.1
107.08606	30.6
108.82399	1.3
109.06516	4.9
109.10165	10.3
111.08115	6.7
111.11713	9.0
117.07036	14.2
119.08587	21.8
121.06520	3.9
121.10145	17.0
123.08074	4.5
123.11726	5.1
125.09647	3.4
129.07010	5.3
130.07738	2.0
131.08563	16.1
133.06442	1.3
133.08609	3.0
133.10138	19.7
135.08067	4.7
135.11703	15.6
137.09633	3.0
137.13287	1.8
143.08549	4.8
144.09314	1.6
145.10127	12.9
147.08134	1.3
147.11703	9.7
149.09595	8.3
149.13272	8.0
151.11226	2.5
157.10165	4.1
159.11739	11.3
161.09650	1.3
161.13297	3.0
163.11211	5.4
163.14749	1.7
165.12860	1.7
169.10120	2.6
171.11641	2.8
173.11827	1.6
173.13315	4.6
177.12790	3.5
181.12215	2.4
183.11697	1.5
195.13797	6.1
197.13196	2.0
199.14841	1.6
210.56441	1.2
229.14383	1.7
229.19553	2.1
237.22113	6.3
239.17950	2.3
247.20590	2.4
255.15849	7.9
257.19067	6.4
267.15964	3.2
269.17526	10.9
273.18753	1.5
275.20053	26.9
291.19492	3.5
293.21164	1.7
311.25830	75.5
312.26361	1.5
331.22711	3.1
349.23715	18.4
356.41904	1.5
367.24738	1.9
465.35577	2.7
477.84238	1.4
491.37396	29.3
505.38919	100.0
506.39279	2.0
545.41956	3.8
585.45258	16.2
603.46112	4.0
638.48944	1.5
651.64795	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	637.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	0.8
57.07065	0.6
59.05009	1.0
63.91193	0.5
67.05523	0.9
67.45691	0.5
69.85735	2.9
72.38351	0.6
79.05510	0.9
81.07040	1.4
91.05473	0.6
93.07060	1.1
95.08614	1.1
97.10229	0.7
109.10187	0.8
117.09186	0.5
120.64088	0.5
145.10051	0.5
204.06679	0.8
210.11591	0.7
211.12326	0.8
220.09991	0.6
221.10980	0.7
223.12357	1.0
225.10338	1.0
225.13879	3.2
226.14771	0.7
235.12271	0.8
237.13928	1.7
249.13936	1.0
251.08234	1.4
270.13635	0.8
314.16739	0.8
316.14478	0.6
403.15308	1.5
405.20892	0.7
414.16428	0.7
417.16904	4.0
418.17862	1.7
419.18497	1.3
431.18951	2.0
432.19492	2.5
433.20288	3.9
445.16061	0.8
447.21863	8.7
448.22601	1.1
459.22269	1.6
460.18594	0.8
461.19385	1.5
473.19525	0.7
475.21323	20.1
476.21927	5.2
477.23245	0.9
489.23022	1.1
503.20105	2.6
507.24197	0.8
515.21069	0.6
519.23840	0.9
521.25623	0.8
534.26361	0.8
535.23260	15.5
545.25787	3.3
547.23981	2.4
549.24829	1.8
562.26111	3.4
563.26166	2.8
577.28424	2.5
587.22882	1.1
605.27631	3.8
608.50415	0.5
622.27740	8.0
623.28577	0.7
637.30237	100.0
638.30444	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	637.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37688	0.5
71.84834	0.5
73.80498	0.6
93.06960	0.5
98.21537	1.1
105.06932	0.5
108.15584	0.5
112.07394	0.4
122.38226	0.4
168.07979	0.5
168.15646	0.4
326.81973	0.5
331.20996	0.5
386.15482	0.7
389.18521	1.4
390.18964	0.7
391.19034	3.5
392.19824	1.5
399.16104	1.6
400.16910	1.7
401.17667	1.5
402.19168	1.0
403.19739	1.4
404.20795	1.6
405.20734	5.1
406.21530	6.3
412.17612	0.6
413.17813	1.9
414.18411	3.7
415.19382	5.3
416.20193	1.2
417.21109	1.4
418.21838	0.9
419.17667	0.7
419.23068	2.1
420.23102	5.4
421.23898	10.9
427.19424	2.5
428.20145	3.5
429.15924	0.8
429.20935	12.4
430.21732	3.1
431.17969	1.0
431.22952	1.2
432.23361	0.8
433.19891	1.9
433.24109	2.1
434.24686	1.7
441.21252	0.8
442.21817	2.2
443.22501	7.9
444.23441	5.6
445.19571	3.4
446.21014	1.1
447.17310	2.7
448.26602	0.6
452.22498	0.7
455.18552	1.3
456.19223	1.1
457.24783	4.8
458.24982	7.3
459.21805	8.8
460.22519	4.9
461.19193	8.0
462.20218	0.7
470.21021	1.8
471.22534	2.5
472.22873	8.0
473.19070	1.7
473.23679	1.8
474.20016	0.6
475.20975	2.9
476.21902	6.8
477.22345	0.6
477.26733	0.5
485.23557	18.9
486.20358	2.8
486.24265	2.8
487.20538	2.9
488.22073	5.8
489.22571	1.1
491.24475	0.8
492.25287	0.8
493.22336	0.8
498.20331	0.7
499.21359	1.9
500.22116	2.4
502.23846	0.9
503.24454	21.6
504.24805	1.0
505.22232	1.3
507.26648	0.5
513.22925	3.2
514.23730	2.2
517.26202	9.8
529.26123	2.0
530.23962	0.7
531.23871	0.8
535.27112	27.3
536.27625	0.9
545.25519	88.3
546.25934	3.5
547.26978	0.7
549.25037	0.8
558.22559	0.8
563.26495	4.9
573.24957	20.7
574.25531	1.0
577.28107	0.7
578.28479	1.4
605.27618	86.1
606.27783	3.6
637.30249	100.0
638.30566	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17069	0.5
57.07080	0.6
59.05027	2.1
59.05268	0.4
67.05501	0.5
67.50108	0.4
69.64957	1.2
69.65373	1.4
70.96764	0.4
97.89245	0.5
100.11240	0.6
101.07191	0.7
102.40493	0.5
117.09074	0.4
133.87274	0.5
136.07503	0.5
182.39439	0.4
239.93188	0.5
264.72421	0.5
374.16592	0.5
387.16055	0.8
389.17975	0.5
391.19504	0.7
401.17987	0.8
402.18726	0.5
403.19357	1.1
405.21176	1.1
415.19272	1.6
417.16580	1.0
417.21021	2.0
419.22522	2.0
429.16434	0.6
429.21262	1.0
430.17175	2.4
431.18021	3.1
432.18854	0.8
432.23877	0.9
433.20190	0.8
435.22089	0.5
443.18289	2.2
444.18811	2.6
445.20197	11.1
445.25558	0.7
446.21585	2.1
447.21991	1.5
457.20447	1.0
458.21011	8.9
459.21844	7.0
460.22870	6.6
461.19595	4.4
462.20749	0.9
471.22034	1.2
473.23853	0.8
475.21014	2.2
476.22205	1.1
477.23059	1.6
491.24728	1.6
503.21313	0.8
504.25360	0.9
505.22479	0.8
517.22784	1.5
518.23108	4.5
531.24548	0.8
533.25696	3.2
535.23608	2.1
545.25806	2.6
546.26300	2.0
547.27448	1.0
549.25317	1.4
563.25201	0.6
577.28461	2.5
579.26501	0.6
587.23102	1.0
605.27679	13.6
606.28308	1.1
637.30273	100.0
638.30475	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	637.266
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
53.03949	2.7
55.05501	4.4
55.15627	1.2
57.03430	1.5
57.07064	3.0
59.04996	5.6
67.05505	11.2
69.07061	5.4
69.40429	3.3
69.40840	6.3
71.08623	2.7
74.06090	1.5
74.09699	4.6
79.05493	7.0
81.07069	8.3
83.04991	1.3
83.08614	4.6
88.94922	1.3
89.06025	1.4
91.05515	5.8
93.07058	6.0
94.06580	2.6
95.04952	2.9
95.08619	6.0
97.06501	1.8
97.10182	2.8
104.04997	3.7
105.07040	3.5
106.06568	1.8
107.08598	3.3
109.10158	7.7
119.08561	2.3
120.08112	2.4
121.10118	3.6
124.12202	1.2
125.09646	1.9
134.06029	11.5
137.09631	1.5
146.06065	1.5
147.11737	1.2
149.13280	1.6
152.07054	2.1
157.10214	1.4
172.03951	3.4
178.05002	12.1
199.08932	1.3
204.06598	4.8
209.10719	1.9
211.08653	1.4
211.13208	1.4
221.10756	1.7
223.08618	1.6
223.12300	1.8
225.10275	2.5
235.08684	3.2
236.09537	2.6
237.10236	2.9
249.10255	5.3
251.08192	3.4
251.11852	2.9
253.13460	3.0
263.08203	3.0
265.09723	2.3
277.09747	4.0
278.10394	1.4
278.17545	1.3
279.11304	3.1
281.12747	2.7
293.09277	1.2
297.12561	1.5
301.12396	1.4
305.09238	2.7
309.12476	3.2
311.14160	1.5
311.25803	1.4
312.11340	2.1
312.15030	1.2
313.12146	1.9
314.12994	1.6
323.87692	1.2
325.11981	2.4
326.12918	3.8
327.13770	1.8
330.16031	2.0
336.11188	1.3
337.11813	11.9
338.12967	3.4
339.13583	2.4
340.10767	2.0
340.14539	3.1
341.11575	1.6
342.12387	2.7
345.11810	1.3
351.09830	1.2
352.10730	2.1
352.14694	1.4
354.12332	2.9
354.16275	2.0
356.13846	1.9
358.15570	1.8
366.12238	1.8
366.16327	1.6
368.13986	2.2
369.14749	2.3
370.15213	1.8
382.15686	1.7
384.17270	1.8
389.17892	1.8
391.19269	1.9
395.12799	1.6
396.13437	2.8
402.18164	1.2
410.14984	2.3
419.18704	2.8
428.16037	2.9
432.15707	1.3
438.14655	1.9
442.17606	3.6
444.19675	2.8
447.18234	2.6
456.15515	1.7
463.21402	2.7
465.35907	11.5
470.17130	7.7
472.19739	1.3
475.21463	2.8
488.18170	1.9
490.19812	1.6
491.20877	1.6
502.19406	2.0
503.21030	4.1
517.22925	2.1
530.19739	2.1
531.20325	2.3
535.23425	25.2
545.22180	1.9
549.24768	3.1
563.23096	3.3
573.21173	3.6
577.24548	38.7
578.25085	1.8
587.22955	5.0
595.25745	6.1
605.23944	58.0
606.24048	2.6
609.26868	2.6
619.25751	2.7
637.26544	100.0
638.26831	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	637.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.8
55.05507	2.1
57.03442	1.5
57.07079	1.3
59.05003	0.8
59.88400	0.7
67.05505	5.6
69.07059	3.0
70.68391	1.7
71.08619	1.2
77.45480	0.7
79.05502	4.4
81.07070	6.4
83.05013	0.8
83.08633	1.8
83.84355	0.8
91.05486	2.4
93.07049	2.9
95.04980	0.9
95.08624	3.7
97.06503	1.0
97.10187	0.9
105.07050	1.9
106.06514	0.8
107.08612	2.4
109.10161	2.3
111.08100	1.0
113.03575	0.8
117.06994	1.0
119.08601	2.1
120.42113	0.7
121.06493	0.9
121.10173	1.7
131.08556	0.9
133.10146	0.8
135.11752	1.3
141.06990	0.9
147.11757	1.0
154.06595	0.9
157.10159	1.6
162.05507	0.8
168.08138	1.8
180.08138	1.6
181.07622	2.2
182.08313	1.4
184.10016	0.8
191.07397	0.7
193.07669	2.6
194.08434	1.8
195.09192	5.9
196.09740	3.7
197.10750	3.9
198.12912	0.8
207.09187	5.8
208.07851	1.3
208.10043	4.6
209.07167	2.3
209.10701	7.9
210.07762	1.2
210.11481	8.2
210.13205	0.7
211.08815	0.9
211.12315	3.2
212.09471	1.0
212.13217	2.3
219.09322	1.2
221.07172	3.3
221.10672	1.5
222.07944	2.4
222.11510	1.8
223.08702	9.2
223.12225	7.0
224.09433	19.8
224.13118	3.2
225.10280	8.4
225.13820	11.0
226.14696	2.1
235.08655	7.6
236.05605	1.0
236.09286	4.4
237.06621	1.7
237.10153	4.9
238.07326	1.2
238.11052	2.9
239.08276	2.7
239.11838	1.4
241.09639	1.2
249.06606	1.9
250.07375	1.1
251.08209	5.9
251.11829	7.2
252.09067	1.9
253.13377	30.0
255.11397	2.7
256.12140	4.4
263.08243	4.6
264.08987	3.2
265.06744	0.7
265.09784	4.4
265.13144	0.8
266.06833	0.9
266.10489	2.7
267.07831	0.9
267.11200	0.9
269.09265	1.8
269.12979	1.7
270.13617	1.2
271.14359	1.1
272.07761	1.0
275.08124	0.9
275.20117	1.0
277.06119	2.0
278.07043	0.9
279.07727	2.1
279.11349	7.2
281.09296	5.3
281.12775	2.0
283.10867	1.9
289.18103	1.4
291.07611	9.1
293.09314	2.1
295.07385	1.0
295.10635	0.9
297.12363	6.8
300.11429	0.8
307.10800	1.0
309.08743	2.2
309.24512	0.8
310.09406	4.5
311.10358	1.6
313.27399	1.7
319.07297	2.4
323.10318	2.2
325.11847	7.4
327.09885	1.0
337.08362	1.0
351.09781	43.8
352.10767	1.3
354.08536	0.9
369.10828	23.7
375.14975	0.8
397.10455	0.9
408.13861	0.9
430.18024	0.9
438.14883	1.1
458.17352	1.6
470.17374	2.3
489.23364	0.9
503.20612	1.5
517.22461	9.5
545.22272	4.5
549.25415	1.4
559.23566	1.3
573.21271	3.7
577.24493	44.7
578.24939	2.4
587.22723	1.6
605.23969	100.0
606.24213	2.9
619.45221	1.1
637.26569	22.0
637.40350	1.0
638.26746	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	637.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.0
57.07072	2.7
58.65152	0.6
59.04997	2.8
67.05496	2.7
69.07072	1.4
70.72178	1.8
71.93916	0.6
79.05491	1.5
81.07063	2.9
83.04991	2.8
83.08609	1.1
84.83158	0.7
89.06013	0.8
91.05497	1.7
93.07064	1.7
95.08616	1.6
96.33976	0.7
97.10180	0.9
98.00989	0.6
105.07021	0.7
107.08582	1.5
109.10181	0.9
117.07008	0.9
118.06547	0.8
119.08620	0.9
120.08160	1.3
121.10205	0.6
133.10094	0.9
138.92680	0.7
147.11684	1.6
157.10210	0.7
207.09230	1.1
208.09950	0.9
209.10796	2.0
222.11584	0.9
223.12469	1.2
224.13170	0.9
225.13937	1.7
235.08766	1.1
235.12251	0.8
237.14021	2.0
249.10371	1.2
249.14021	1.0
265.09656	1.2
275.08539	1.0
277.09906	2.1
302.01999	0.8
325.12146	0.8
327.11618	0.8
334.64371	0.8
337.02466	3.1
338.13071	1.7
340.14755	1.3
352.14343	0.8
389.18039	1.1
392.19528	0.8
401.17728	1.1
403.19281	0.8
405.17175	0.8
412.17670	1.0
413.18076	1.2
415.19540	1.0
417.17142	1.1
426.15222	0.8
427.15262	1.1
428.16339	1.2
429.21390	1.4
438.61597	0.8
440.17084	1.1
441.17038	3.3
442.18069	1.5
443.18729	2.0
447.22180	0.9
455.14563	1.5
456.20029	1.3
457.20782	4.4
458.21017	1.2
469.17056	3.7
470.17554	2.2
471.22717	3.3
472.22748	1.0
475.21365	2.5
484.18890	2.1
485.20142	3.3
487.17523	1.0
489.22870	2.3
491.20908	1.1
498.17316	1.3
499.21585	9.5
500.22171	3.8
501.19550	2.4
502.19968	1.4
503.21072	2.9
511.21405	1.3
512.18561	2.1
513.19049	2.5
515.22052	0.8
517.22546	8.9
518.22900	1.4
527.20795	16.7
528.21411	2.9
531.24121	1.0
533.22156	0.9
539.39038	1.1
543.16241	1.1
543.24072	15.2
543.32233	0.9
545.21808	4.7
549.24866	1.7
555.20197	3.9
559.23560	7.5
563.22937	0.7
577.24811	2.0
578.25372	1.0
581.23956	5.0
587.22943	100.0
588.23279	3.2
605.24097	2.2
609.27081	1.2
619.25568	40.0
620.25879	1.7
637.26526	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	637.2657
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
62.75900	0.4
71.03834	0.5
71.04173	0.9
103.74066	0.4
123.96947	0.5
132.54234	0.5
160.08310	0.4
192.30484	0.4
221.10759	0.6
249.10107	0.5
338.12686	0.6
363.16238	0.7
375.16214	0.7
376.17368	0.5
377.17731	1.2
378.18350	1.0
385.14645	1.0
386.15320	1.0
387.16104	1.4
388.17953	1.0
389.17960	1.1
390.18826	0.6
391.19229	1.5
392.19931	1.4
393.20819	2.8
398.16196	0.6
399.16138	2.6
400.16913	2.3
401.17712	4.0
402.18582	1.1
403.19302	1.0
405.21057	1.0
407.22385	2.6
411.16138	0.8
412.17438	0.6
413.17923	2.9
414.18570	3.9
415.19409	8.7
416.19904	1.9
417.20819	1.3
419.18558	0.8
421.20108	2.7
425.17630	1.2
427.14706	0.8
427.19333	1.7
428.20660	2.9
429.15842	0.8
429.21347	8.1
430.22272	2.4
431.18390	0.8
435.21780	1.8
439.19302	1.1
441.17334	1.7
442.17801	1.5
443.18356	3.5
443.22678	3.6
444.18564	4.1
445.20367	2.4
447.17880	0.9
455.18918	0.8
456.19330	1.7
457.20514	5.0
458.21115	5.3
461.19861	0.9
469.16357	0.6
471.22299	6.6
472.23489	4.3
473.19415	4.5
474.14346	0.6
474.20786	1.5
475.22067	0.6
484.18988	1.3
485.19632	3.6
486.20523	6.4
487.21271	2.5
488.22177	1.7
489.22931	1.4
490.19540	2.2
499.14597	0.7
499.21399	11.4
500.22955	3.0
502.19644	0.6
503.24835	4.5
513.19305	1.4
514.20093	0.6
516.21667	1.2
517.22235	3.6
527.21136	3.2
528.21661	1.5
529.22345	0.8
530.23376	0.8
531.24017	11.7
543.23657	1.8
545.21667	1.4
549.24811	1.1
559.23444	95.5
560.23969	4.8
577.25085	0.5
578.25165	0.8
587.22882	20.6
588.23212	1.0
596.66754	0.5
605.23639	0.8
619.25525	100.0
620.25940	4.1
637.26624	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	637.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82009	0.6
59.04973	0.9
61.09935	0.6
62.26138	0.5
67.05494	1.0
69.19347	2.6
69.19767	3.6
79.05440	0.7
81.07037	1.2
93.06995	0.6
95.08583	0.8
97.06338	0.6
109.10149	0.7
133.56046	0.7
170.97269	0.7
202.28326	0.7
207.09254	0.6
209.10727	0.8
221.10770	1.3
221.99535	0.7
225.13919	1.1
233.10504	0.7
238.47093	0.6
259.12283	0.8
271.39389	0.6
349.68536	0.7
361.15060	0.9
363.16101	1.7
373.14746	0.8
374.16684	0.7
376.17291	1.0
377.17578	3.2
378.18643	1.2
385.14728	1.1
386.15479	1.3
387.16156	1.7
388.17841	0.8
389.18048	1.5
390.19205	1.0
391.19339	4.2
392.20062	3.4
393.20703	6.1
398.16171	0.8
399.16003	3.1
400.17023	3.4
401.17889	4.1
403.19226	2.0
405.21509	3.0
406.21738	0.8
407.22385	7.4
413.17703	2.6
414.18713	3.6
415.19470	6.9
416.20477	0.9
417.16803	1.3
419.18372	1.6
420.19211	0.8
421.20062	6.0
425.17725	1.5
427.19315	2.3
428.20401	3.7
429.21384	8.7
430.21625	2.1
431.18793	2.8
434.21234	1.4
435.21783	7.7
436.22614	2.2
441.17093	1.5
442.17831	2.1
443.18185	3.2
443.22534	4.7
444.18704	3.9
445.20786	4.5
446.21317	1.4
447.17273	3.1
456.19397	2.3
457.20734	5.5
458.21439	4.6
459.17966	3.6
461.19742	2.7
462.20206	1.5
463.20831	1.1
470.17172	1.2
471.22366	7.2
472.23489	4.9
473.19714	6.0
474.20599	2.9
475.16867	1.1
475.22031	1.7
476.18481	1.0
484.18970	1.5
485.19980	4.3
486.20441	8.1
487.21939	3.2
488.21884	1.8
489.18887	3.7
489.23300	3.5
490.19327	5.7
491.20938	2.3
499.21350	13.0
500.21558	2.8
501.18677	0.8
501.23337	1.2
502.19980	2.4
503.24268	3.0
504.21869	1.0
507.24570	0.9
512.18689	0.9
513.19141	6.9
514.19897	1.8
516.21716	1.9
517.22461	16.9
518.22443	1.5
519.20483	1.0
521.25464	2.8
522.26355	1.5
527.21008	4.8
528.21472	1.1
529.22375	1.7
531.24597	10.6
535.23389	1.0
541.22070	0.7
543.23932	1.8
545.21948	1.7
549.25067	8.0
559.23425	84.4
560.23932	3.3
573.21021	1.2
577.24707	3.9
578.24963	1.4
587.22913	18.7
591.25983	5.3
592.25513	1.0
605.23730	9.4
609.27142	1.5
619.25513	76.4
620.25482	2.9
637.26563	100.0
638.26904	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	637.2661
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
55.01816	0.5
55.05518	0.7
57.74046	0.5
59.05013	1.5
67.05502	0.9
69.07053	0.7
69.35953	4.4
79.05484	0.9
80.21210	0.5
81.07071	0.9
91.05486	1.2
93.07062	1.3
101.06052	0.6
107.08626	0.9
223.12347	0.6
261.89111	0.5
375.16046	1.1
387.16010	0.7
389.17740	2.0
401.17636	1.6
402.18604	1.5
403.19434	2.8
404.20261	1.3
405.21011	0.9
415.15198	1.1
415.20084	0.8
416.20361	0.8
417.17120	2.1
417.21347	1.7
419.22614	3.6
429.17160	1.2
430.17932	0.9
431.18362	2.6
433.20663	0.8
435.18073	0.6
443.18707	1.0
445.20242	4.6
446.21237	2.5
447.21991	2.4
459.22134	1.3
460.22681	0.8
461.16205	2.1
463.21680	3.7
471.18488	0.7
475.17853	2.2
476.18884	1.6
477.19473	1.6
487.18900	0.7
489.19385	2.1
490.19962	8.8
491.20755	10.4
503.20786	4.1
504.21844	1.2
517.22461	2.5
533.25671	5.7
535.20331	0.7
543.24188	0.7
545.21765	0.9
549.24603	1.1
559.23309	1.4
561.24829	0.9
577.24524	25.5
587.22998	1.1
593.27740	1.2
605.23920	3.4
609.27704	1.0
619.25378	1.9
637.26581	100.0
638.26514	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	634.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.6
55.01870	5.2
55.05518	26.4
57.03437	12.7
58.68274	2.1
59.04997	4.5
65.03944	3.4
66.01489	2.2
67.05511	100.0
69.03439	2.7
69.07079	25.3
70.91439	2.1
71.04983	4.4
71.08614	3.5
71.22413	3.3
72.08167	20.3
79.05503	87.5
81.03423	3.9
81.06592	4.3
81.07066	85.9
83.04981	7.2
83.08636	16.7
85.06575	4.7
86.06080	2.6
87.04482	3.1
91.05489	61.6
93.07053	87.9
93.07645	4.3
95.04973	9.9
95.08612	51.9
97.06541	10.6
97.10188	4.9
99.08083	6.3
99.87843	2.1
105.04515	3.2
105.07033	42.1
107.04949	5.3
107.08614	40.4
109.06521	7.2
109.10163	23.7
111.08090	7.2
113.09646	2.6
115.05482	2.2
117.07052	19.0
118.39980	2.2
119.08582	31.7
121.06535	5.5
121.10156	35.4
123.08073	5.4
123.11700	7.6
125.09657	3.4
129.06996	6.4
131.08588	24.9
131.50365	2.4
133.10165	23.4
135.08052	5.3
135.11705	21.4
137.09666	4.2
137.13379	2.0
138.41431	2.1
141.07018	3.6
143.08575	7.0
145.10136	20.2
147.11676	13.2
149.09645	7.4
149.13283	14.6
151.11221	5.3
155.08519	3.1
157.10155	4.6
159.11710	17.2
161.13283	8.4
161.62086	2.1
163.11235	5.8
169.10097	3.8
171.11726	5.5
173.13280	10.5
175.14882	2.8
177.12781	4.5
185.13268	2.5
187.14848	3.9
195.13823	5.7
199.09628	3.7
211.14772	2.7
213.16441	2.9
215.17996	5.8
223.18112	2.1
225.33733	2.4
227.12827	2.3
229.15865	4.3
233.19048	8.5
239.17876	2.4
247.16791	4.5
255.15958	7.8
257.18991	3.7
261.22244	2.5
269.17490	12.6
275.20160	14.9
307.22714	63.1
321.20901	3.5
335.25827	9.3
349.23663	2.9
351.25662	2.8
367.24643	3.9
461.31683	2.5
487.34381	11.9
501.35767	45.0
541.38806	4.4
581.41821	8.6
634.40015	8.6
634.49475	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	634.468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.9
55.01851	6.3
55.05317	2.6
55.05521	28.6
57.03448	20.7
57.07074	7.1
59.05006	4.6
65.03936	5.2
67.05510	96.2
67.79202	3.8
69.03434	4.3
69.07074	31.1
71.04984	3.8
71.51082	3.3
71.51530	4.7
72.08164	45.9
79.05500	100.0
81.03400	6.1
81.07063	96.3
83.04992	8.4
83.08591	12.6
85.06549	4.2
86.06070	4.7
89.45459	3.1
91.05485	65.7
93.06487	6.1
93.07050	94.7
95.04970	14.2
95.08616	62.0
97.06535	12.5
97.10159	4.8
99.08082	4.5
105.07043	45.8
107.04938	5.4
107.08602	41.9
109.06539	9.8
109.10163	24.4
111.08082	5.3
117.07029	19.3
119.08591	35.1
120.22507	3.4
121.06480	4.1
121.10154	44.3
123.08038	4.9
123.11722	7.8
129.07028	8.7
131.08583	32.6
133.06453	3.5
133.10146	31.1
135.08040	11.2
135.11700	24.6
137.09644	4.2
143.06940	3.9
143.08623	3.5
145.10120	27.3
147.11684	15.5
149.09637	8.2
149.13258	12.2
151.11198	4.8
155.08527	5.4
157.10130	9.5
159.11720	18.8
161.09644	3.8
161.13332	5.4
163.11205	3.7
169.10214	5.3
171.11710	4.2
173.13260	9.7
181.12189	3.9
187.14850	5.1
199.09587	8.0
209.11696	3.3
213.16396	4.3
215.17880	6.4
229.15976	6.2
233.18988	7.7
247.16911	8.6
257.19037	4.4
269.17441	9.8
275.20044	13.6
292.90967	3.4
307.22717	57.7
321.20648	8.8
335.25632	20.3
383.14420	3.1
461.32516	3.5
487.34003	13.2
493.47278	3.5
501.35657	33.6
515.95880	3.3
541.38666	6.5
581.42395	7.7
596.96240	4.0
634.40088	31.6
634.49280	4.0
638.86029	3.7
661.05969	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	633.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.1
55.01888	1.0
55.05512	8.0
57.03449	1.2
57.07086	3.7
59.05004	2.0
65.03951	1.6
67.05505	21.7
69.03429	7.8
69.07066	14.5
70.17701	0.7
70.62643	1.6
71.04999	4.1
71.08631	0.8
79.05502	8.0
81.03424	3.3
81.07057	21.1
81.07537	1.3
83.04983	8.5
83.08618	6.6
83.08977	0.6
85.02916	2.1
85.06556	3.3
87.08069	0.7
91.05485	7.4
93.07048	14.2
95.04994	2.2
95.08609	34.7
97.02911	2.1
97.06548	2.2
97.10161	1.9
99.08092	3.6
101.05939	0.7
105.07030	9.2
107.08595	25.4
109.02846	1.3
109.06516	9.0
109.10159	100.0
111.04508	1.1
111.08102	2.8
113.09647	1.6
117.07041	2.1
119.08582	41.8
121.06467	1.0
121.10145	17.2
123.08073	11.8
123.11700	8.9
125.09613	1.6
129.07057	0.8
131.08563	2.3
133.09125	1.5
133.10133	23.0
135.11694	99.4
136.12051	0.7
137.09621	14.8
137.13232	0.7
139.11211	2.4
143.08572	0.8
145.10126	2.0
147.11687	2.6
149.09610	0.7
149.13255	7.3
151.11215	8.3
151.14815	10.4
153.12772	2.5
157.10175	1.3
159.11682	1.4
161.13249	0.8
161.64207	0.7
165.16405	2.6
169.10164	0.9
173.13309	1.5
175.14825	42.5
175.31279	0.7
193.15886	60.8
211.16934	44.3
261.22150	0.7
283.65793	0.8
364.21982	0.8
369.23831	0.9
583.95398	1.1
594.96826	0.9
633.41644	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	633.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.5
55.05504	5.6
57.03429	2.1
58.99583	16.3
59.05001	2.0
67.05506	14.0
69.03431	7.7
69.07056	5.6
70.06587	4.6
70.75480	4.0
71.72292	1.3
72.08154	2.8
74.00655	1.6
76.02232	59.3
76.04007	3.4
79.05498	10.9
81.03421	1.6
81.07063	17.4
83.04983	3.1
83.08593	2.0
84.08129	2.4
85.02900	2.1
85.04036	5.5
86.09734	1.8
86.47753	1.4
86.99060	4.8
88.02221	2.8
91.05484	11.4
92.01700	1.5
93.07047	13.3
95.04958	2.1
95.08611	17.7
97.06525	11.5
100.14850	1.4
102.68299	1.4
105.07042	15.8
107.04975	1.7
107.08607	23.3
109.06499	11.6
109.10154	27.4
111.04437	3.1
111.08111	4.8
116.01692	21.5
117.07016	5.2
119.08578	15.2
121.06515	6.6
121.10152	12.9
123.08064	4.1
123.11724	2.8
125.05994	16.8
125.09602	6.6
128.06207	4.2
129.07047	6.7
130.05014	1.2
130.07791	2.4
131.04532	3.2
131.08585	13.3
133.10127	10.4
135.04337	1.8
135.08078	6.3
135.11702	7.5
137.09579	7.1
139.07495	2.0
139.11218	1.7
141.07019	2.2
142.07764	2.3
143.08571	17.2
144.01155	12.6
145.06470	4.4
145.10101	13.0
147.08043	4.1
147.11687	7.0
149.09648	2.7
149.13232	3.9
151.07581	2.4
151.11215	2.5
153.07130	1.8
153.09062	6.4
155.08533	7.8
155.10654	5.3
156.09421	2.1
157.06516	2.1
157.10144	11.0
158.07312	1.6
159.08018	7.1
159.11665	9.1
161.09599	11.7
161.13245	2.9
162.02214	43.9
163.11156	3.2
165.07085	3.6
167.08549	4.9
168.09428	1.5
169.10109	12.1
171.08054	55.3
171.11678	7.7
172.08572	2.9
173.09621	7.3
173.13261	5.8
175.11171	5.8
175.14706	1.7
177.03329	10.3
177.12761	2.4
179.04861	100.0
179.08412	9.0
180.09338	3.5
181.06508	1.7
181.10114	7.0
182.10892	2.7
183.08052	6.1
183.11732	9.7
185.09578	6.9
185.13246	7.8
187.11188	3.5
187.14874	3.9
189.03413	1.8
189.09109	2.0
189.12747	3.2
191.14275	2.2
192.09389	1.7
193.10265	6.4
194.07367	2.2
194.10986	2.7
195.08125	1.7
195.11687	8.6
196.08772	2.6
196.12480	3.3
197.09610	22.0
197.13258	7.7
199.11292	3.2
199.14847	3.1
201.12775	2.4
205.10187	3.4
206.10970	2.5
207.11772	5.5
208.08835	5.7
209.09567	9.1
209.13243	5.5
210.10326	2.3
211.11179	17.1
211.14795	2.9
212.11917	1.5
213.12775	4.1
213.16362	2.3
214.99104	1.4
215.14304	3.2
217.10315	1.7
219.11728	4.1
221.09653	12.4
221.13234	5.0
222.10342	4.2
223.11194	15.2
223.14786	4.8
224.11942	1.7
225.12766	6.1
225.16379	1.6
227.14330	3.1
229.12379	2.1
229.15948	2.4
231.11575	1.8
232.12332	1.7
233.09560	1.8
233.13277	6.2
233.15381	3.0
235.11156	4.3
235.14781	4.8
237.12819	8.7
237.16460	4.7
239.14333	4.6
239.17973	2.4
241.15959	2.3
245.19252	1.4
246.10481	3.5
247.11090	3.1
247.14896	4.0
248.11916	2.3
249.12869	3.3
249.16418	2.5
251.14317	5.3
253.15854	1.7
255.17401	3.2
260.11871	1.6
261.12698	11.2
262.13513	3.1
263.14346	11.3
263.17783	2.0
265.15842	16.8
267.17438	3.0
273.16006	2.1
275.14276	2.3
277.15933	5.2
279.13858	8.4
279.16650	1.2
281.15378	4.6
283.17062	2.9
285.18668	2.3
289.15884	2.7
291.17435	18.4
293.19223	2.4
303.17520	2.7
305.18933	1.7
309.18451	5.9
317.19006	2.3
373.25299	5.6
383.23795	3.1
391.26358	5.8
393.24207	9.1
401.24704	20.1
407.86383	1.6
409.27435	3.7
419.25848	35.2
420.25769	1.8
421.27228	2.1
422.36722	1.3
437.26892	21.5
451.23300	2.1
455.27893	11.0
469.23984	4.9
579.28723	11.2
597.29779	12.1
615.31024	26.0
633.31934	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	632.401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29546	2.0
53.03946	5.2
55.05514	21.0
56.39888	2.0
57.03448	14.1
57.07070	2.5
58.04926	2.4
58.70847	2.0
59.05017	3.6
60.62074	2.0
61.02925	2.2
63.11807	2.0
63.99770	2.0
65.03929	2.8
67.05510	42.1
69.03420	4.2
69.07068	24.2
70.55719	5.8
70.56060	2.4
71.04999	67.4
72.08154	2.9
73.02943	3.2
75.04485	6.1
79.05499	34.8
81.03451	3.2
81.07066	100.0
83.05002	12.9
83.08643	12.1
84.08155	2.9
85.02912	99.9
87.04477	4.2
89.06027	5.4
91.05499	25.0
93.07050	68.5
94.07848	2.3
95.04965	5.2
95.08615	79.8
97.02902	4.3
97.06544	2.3
97.10190	5.4
99.04494	2.2
105.04538	2.3
105.07043	58.7
106.07392	2.2
107.08608	80.6
109.02952	2.1
109.10172	65.3
111.04475	6.5
111.11723	3.3
117.07030	5.8
119.08595	62.4
121.10159	60.9
123.08108	2.8
123.11705	21.3
127.03950	4.5
129.05504	24.6
129.06982	2.8
131.08565	13.8
133.10153	32.0
135.11707	26.0
137.13225	2.3
145.04990	6.3
145.10165	24.6
147.11682	32.3
149.13271	36.7
157.10178	6.0
159.11726	32.7
161.13292	29.4
163.06029	2.6
163.14845	25.0
167.10765	2.3
173.09763	2.2
173.13306	11.0
175.14859	18.5
177.16396	14.6
179.14290	2.2
185.13226	3.4
187.14862	10.0
189.16428	14.6
191.17950	3.6
201.16402	19.0
203.17987	7.5
213.16449	3.6
214.66626	3.2
215.17950	24.7
217.19533	2.7
229.19522	4.7
271.24240	36.5
289.25281	9.4
300.65762	2.3
309.11755	3.6
622.57367	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	632.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53445	2.1
53.03949	5.1
55.05517	20.9
57.03439	32.4
57.07076	3.6
59.04999	3.8
65.03944	3.1
67.05512	36.9
69.03435	5.5
69.07084	19.9
70.06573	3.4
70.55773	4.3
71.04994	9.3
72.08197	2.5
73.02927	13.6
75.04488	100.0
75.84093	2.1
77.03922	2.2
79.05490	28.9
81.03424	3.2
81.07066	98.4
83.04992	13.1
83.08631	6.8
84.08169	3.4
85.02914	37.7
86.09686	2.6
87.04473	3.5
89.06042	3.2
91.05489	25.8
93.07053	52.9
95.04989	7.1
95.08617	71.6
97.02893	5.2
97.06561	2.7
97.10159	2.9
101.06024	4.0
105.07045	56.5
107.08608	71.2
109.06535	4.8
109.10169	55.2
111.04465	8.4
111.08107	2.4
117.07050	7.1
119.08593	58.2
121.10162	49.9
123.08042	2.7
123.11729	20.1
127.03889	4.7
129.05513	10.1
131.08589	12.9
133.10146	28.5
134.93320	2.3
135.02306	2.0
135.11711	26.2
137.13223	2.9
145.04968	11.8
145.10118	23.7
147.06519	3.8
147.08055	2.3
147.11691	26.9
149.13274	30.4
151.11296	2.2
156.87294	2.2
157.10184	6.8
159.11734	22.9
161.13281	25.7
163.06073	7.0
163.14853	23.1
167.10779	2.5
173.13264	13.1
175.14812	18.0
177.16400	12.5
185.13263	2.0
187.14822	8.1
189.16458	9.7
191.18094	3.3
199.14925	2.8
201.16353	12.5
203.18019	8.6
208.93755	2.3
213.16397	3.3
215.17993	24.4
229.19466	3.6
231.21159	4.0
250.61745	2.0
269.19244	2.3
269.22559	2.6
271.24286	27.9
273.09796	4.2
289.25275	8.2
393.56439	1.9
450.67435	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	632.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.5
52.73116	0.5
53.03947	2.3
54.03059	0.4
54.11235	0.4
55.01870	1.9
55.05515	5.7
56.05029	1.0
56.22758	0.4
57.03435	2.5
59.03319	0.4
59.05010	0.7
60.04526	0.6
61.02925	0.5
63.02591	0.5
65.03940	0.9
67.05512	14.2
68.05033	3.4
69.03433	6.5
69.07074	6.5
70.06596	10.0
70.39741	1.2
71.04984	1.9
71.06915	0.5
72.08169	2.8
73.02914	0.7
74.06071	0.6
79.05500	30.2
80.05024	7.7
81.02943	0.6
81.03426	13.0
81.07063	19.0
83.04990	3.6
83.08630	3.7
84.04498	1.9
84.08148	3.6
85.02908	4.1
85.06534	1.3
86.09698	3.9
86.72578	0.4
91.03930	0.5
91.05491	9.4
93.06483	0.7
93.07053	10.6
94.06558	0.7
95.04970	5.9
95.08609	6.6
96.04472	0.8
96.08141	1.1
97.02900	4.1
97.06530	6.1
97.10178	2.7
98.06062	24.5
98.20838	0.5
99.04450	3.0
99.08092	0.9
100.07621	0.9
102.05500	0.5
105.04519	0.6
105.07042	7.4
106.06583	0.6
107.04961	8.9
107.08598	6.4
108.04489	1.1
108.09357	0.4
109.02883	5.9
109.06522	2.4
109.10168	4.3
109.54530	0.4
110.06000	0.8
110.07162	0.7
111.04461	0.7
111.08102	1.4
112.08737	0.6
115.03957	0.4
116.07114	4.6
117.07054	3.2
119.08586	5.8
120.08109	1.6
121.06554	1.0
121.10141	3.4
123.04460	0.6
123.08093	0.8
123.11701	0.8
124.07610	6.9
125.06002	47.0
125.09641	2.7
126.05537	0.9
126.09148	0.9
127.03934	5.5
129.07018	1.1
129.10220	1.8
130.04970	0.6
130.66696	0.4
131.04915	0.7
131.08568	3.6
132.08037	0.4
133.06468	0.9
133.10123	4.6
135.08067	1.6
135.11710	1.7
136.07582	1.1
137.05963	0.5
137.09593	0.8
138.09099	0.6
140.07065	1.1
141.06992	0.7
142.08644	100.0
143.07060	0.6
143.08699	0.7
144.06654	0.5
145.10136	2.7
147.11734	3.4
149.09615	2.9
149.13254	4.3
151.11154	0.7
152.07161	0.5
155.10718	0.6
157.10106	0.9
159.11711	2.9
160.09705	48.4
161.09850	0.7
161.13251	1.2
162.09193	0.6
163.11200	1.6
166.08641	1.0
169.10010	0.6
173.11786	1.6
173.13275	1.2
177.03210	0.5
177.12799	1.6
179.04907	0.5
179.14302	0.9
183.11774	0.9
184.09625	0.9
185.13280	0.7
189.11215	1.5
190.08804	0.5
195.13852	4.0
202.10722	0.6
206.08151	0.9
213.14819	0.7
232.09766	1.3
247.20738	0.5
250.10770	1.6
257.18991	1.2
275.20084	11.7
293.21140	2.8
299.14813	1.1
303.15994	0.5
321.17014	0.9
339.18082	2.4
383.22128	0.6
419.24191	1.5
437.25391	2.0
458.23859	1.4
476.24817	2.6
498.27081	5.0
516.28149	12.3
560.32269	1.3
578.33221	3.2
596.34283	7.2
614.35486	10.4
632.36823	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	631.3303
Annotation	Gambogenic acid
Peak:m/z	Relative Intensity
55.05513	5.4
56.05039	1.4
57.05827	0.7
60.04539	0.6
61.02940	0.5
68.05024	0.5
69.03429	0.8
69.07079	0.7
70.02956	0.5
70.06606	9.1
70.29318	1.2
71.06933	0.5
72.08161	100.0
73.08486	0.7
74.06108	1.2
78.87885	0.5
80.94482	0.4
81.03430	0.5
82.06595	0.9
84.04524	3.2
84.08156	4.9
84.78783	0.5
85.02903	1.0
86.09712	40.3
87.10043	0.9
88.03999	3.5
95.06081	0.7
96.08163	0.8
98.06050	1.5
98.09712	2.3
98.20834	0.5
99.98012	0.5
100.07638	1.8
101.07139	1.0
102.05551	1.1
108.90928	0.4
110.07204	1.0
112.04026	0.5
112.08733	0.5
112.11243	1.7
115.08701	0.5
119.04983	0.8
120.08099	1.3
124.07635	0.6
127.08712	2.4
128.07088	1.1
129.10236	2.7
130.05040	0.7
136.06189	1.4
136.07614	0.9
140.07056	0.4
141.06538	0.5
141.10205	0.8
142.08665	3.5
143.11807	65.1
144.12140	0.6
147.04414	2.4
152.07088	4.0
157.13376	1.3
163.03940	1.1
169.09740	2.7
170.08141	0.9
171.11299	39.6
185.12807	1.3
185.16466	2.3
187.10789	23.7
197.16466	1.5
201.12312	0.8
211.18077	2.2
213.16000	4.9
214.15517	1.5
215.10277	15.7
225.08669	0.9
225.16016	0.9
239.17505	1.3
247.12875	7.3
268.16522	0.6
283.16672	0.9
284.19604	0.7
286.13998	54.5
296.16013	0.8
312.19043	0.6
314.17062	1.4
328.18695	5.7
340.18768	0.8
342.16467	1.1
346.19650	1.2
354.20145	1.1
357.21356	22.9
381.20972	1.0
385.20856	29.3
386.21121	0.7
399.22397	12.2
452.28876	0.7
453.27017	1.9
461.22391	0.8
470.29767	5.2
498.29288	7.2
581.85297	0.5
623.52319	0.5
631.22400	0.7
631.32825	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	631.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12837	0.7
53.03951	1.8
55.01884	1.7
55.05518	6.6
57.03461	1.0
57.07085	1.9
59.05014	4.8
65.03954	1.0
67.05514	9.0
69.03436	3.2
69.07074	4.1
70.90122	1.1
70.90479	1.8
71.08682	0.8
79.05511	9.4
81.03451	1.3
81.07061	10.5
83.04999	4.0
83.08623	2.7
85.02945	0.9
85.06550	3.3
87.04494	1.2
91.05489	11.7
93.07050	14.9
95.04976	4.7
95.08615	9.0
97.06546	2.9
101.06040	1.0
105.06380	1.6
105.07039	14.2
107.05007	1.7
107.08613	9.6
109.06502	6.0
109.10183	6.1
111.08104	2.5
115.05514	0.9
117.07042	3.6
118.06572	0.9
119.06100	1.2
119.08592	13.8
121.06550	3.0
121.10139	10.6
123.08081	8.6
123.11720	1.8
125.06020	3.2
125.09673	2.5
128.06241	1.4
129.07037	2.8
131.08580	7.0
133.06543	2.2
133.10132	9.1
135.08099	3.8
135.11713	2.9
137.06017	1.5
137.09657	3.8
139.11156	1.4
139.87268	0.8
141.07060	2.5
142.07846	3.2
143.08557	4.6
145.10139	9.2
147.08072	4.7
147.11714	3.8
149.09656	3.6
149.13283	1.5
151.07541	6.9
151.11240	0.9
153.07086	1.0
153.09250	1.4
155.08646	2.6
156.09395	2.6
157.10138	5.8
159.08086	2.3
159.11726	5.1
161.09668	3.6
161.13342	2.4
163.11197	5.1
164.10857	0.9
165.09129	6.3
167.08595	2.0
167.10680	6.0
169.10162	3.4
171.11717	3.2
173.09686	2.5
173.13309	2.4
175.11252	1.3
175.14893	1.7
179.08565	1.9
179.10873	1.0
181.10245	1.8
181.12234	5.2
182.10982	2.1
183.11749	2.6
185.13307	1.9
187.11211	1.9
187.14815	1.2
189.12805	2.9
191.10570	0.9
191.14340	1.1
193.10201	1.8
193.12331	2.0
195.11841	2.4
196.12532	1.2
197.13306	3.5
199.11227	1.2
199.14853	1.1
201.12860	1.0
203.14388	3.3
206.11000	0.9
207.11899	1.9
207.13908	4.4
209.13409	2.1
209.15407	1.2
211.11299	1.9
211.13321	3.3
211.15076	1.9
215.14420	1.6
217.10316	1.1
217.12212	1.3
221.13420	1.6
221.15372	14.6
223.12585	1.1
223.14874	1.4
224.13156	1.1
227.14433	1.3
233.13400	1.2
233.15469	3.4
237.14236	1.2
239.15605	0.9
247.12450	1.0
247.17059	1.5
248.12741	1.1
249.13905	0.9
250.13589	0.9
251.16113	1.1
255.17549	1.0
276.14954	2.0
279.15930	1.2
285.18683	1.4
287.20291	1.9
299.20276	2.2
314.16693	1.1
335.25742	1.3
338.16376	1.0
339.16345	1.4
351.16254	3.5
352.17404	2.0
353.18140	1.7
354.19769	1.2
364.17001	1.2
365.17648	4.3
366.18518	4.0
367.19162	5.0
378.18457	1.3
379.19403	3.3
380.20071	3.2
381.20880	9.5
382.21793	2.3
391.26584	1.0
393.21060	2.2
395.18640	1.8
406.18008	2.1
409.20233	4.5
421.20221	6.1
423.22058	2.9
424.18402	1.2
435.22229	1.7
436.22989	1.6
437.18976	1.3
437.23874	2.6
439.21442	2.0
440.22104	1.5
447.22183	1.5
451.21570	2.4
452.22513	1.2
453.23007	8.7
465.19199	3.1
465.23904	1.5
467.25012	1.2
468.25305	37.7
469.25906	2.5
475.21457	3.1
476.21951	1.7
477.19000	4.8
479.24796	1.4
481.22531	2.6
492.21591	12.5
496.24719	8.1
497.25775	1.4
498.26590	1.3
507.24240	1.2
511.27350	1.6
523.27167	2.0
524.24121	2.6
525.25226	1.6
539.26636	2.8
541.28357	1.3
551.27203	5.1
552.23737	100.0
553.24512	37.7
553.33173	1.1
554.25214	1.5
567.26129	5.1
569.27625	3.5
595.25653	19.2
599.41199	3.3
613.26672	20.3
613.41437	4.0
614.26923	1.1
629.56390	1.0
631.27765	51.2
631.43555	10.6
632.27881	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	630.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60690	0.6
55.05513	4.9
55.54184	0.7
57.07077	35.2
59.04995	2.4
65.03922	1.0
67.05509	7.5
69.03439	1.0
69.07063	3.2
69.35388	2.7
69.35816	2.7
70.14591	0.7
71.08636	27.1
73.06561	7.2
74.79926	0.7
79.05495	4.6
81.07064	4.6
83.05003	0.7
83.08626	2.4
85.06536	0.8
85.09678	0.8
85.10184	20.2
87.04474	7.9
89.06034	100.0
91.05496	3.6
93.07050	4.1
95.05000	1.6
95.08601	3.7
97.10191	3.9
99.11751	5.0
102.70930	0.7
105.07044	4.2
107.07082	1.9
107.08603	2.7
109.06531	1.8
109.10178	4.5
111.04427	0.8
111.08051	0.7
111.11749	0.9
113.13275	1.5
114.78277	0.7
116.84961	0.7
117.07026	0.8
117.09146	6.7
119.08547	4.0
121.10150	3.0
123.08097	1.5
125.05944	0.7
125.09608	0.8
130.08650	1.4
131.07054	2.4
131.08583	2.0
133.08609	48.0
133.10193	2.2
135.10184	1.3
135.11690	1.0
143.08559	1.5
145.10143	1.9
147.08031	1.2
147.11725	1.0
151.07558	1.5
151.11212	0.7
155.17923	4.6
156.09314	0.7
157.10141	1.3
159.11623	0.8
161.09712	1.3
161.11687	1.1
165.09096	1.1
167.10692	1.1
169.10205	0.7
173.11826	0.8
175.09755	1.4
175.11136	1.1
175.14888	0.9
177.11230	19.2
181.10208	0.7
181.12184	0.8
183.11713	0.7
185.58875	0.6
187.11295	0.9
187.15068	0.7
195.11943	0.8
197.13390	0.9
198.14868	0.8
199.20544	4.0
221.13808	2.5
221.15607	1.0
239.14809	1.1
243.23181	6.5
265.16437	1.0
283.17456	1.4
287.25754	4.7
304.26236	0.7
323.16193	0.7
371.22726	0.7
373.35303	0.7
376.15903	0.7
380.53079	0.8
415.25409	0.9
452.25562	0.7
459.28293	2.3
484.17105	1.1
489.35812	8.0
528.15997	0.9
613.45526	3.9
630.23102	1.8
630.46484	2.1
631.43634	0.9
649.46014	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.05516	20.7
57.03440	1.3
57.06834	0.8
57.07080	9.3
59.05007	22.4
61.02945	1.5
67.05497	5.9
69.03445	5.4
69.07074	39.1
70.40176	2.1
71.05004	1.3
71.08637	3.5
71.26451	0.7
73.02898	1.0
77.06034	1.2
79.05503	1.1
81.03410	2.0
81.07066	6.9
83.08623	25.1
85.02908	18.4
85.10178	3.1
87.03934	1.7
87.04472	32.4
89.06036	44.4
91.05482	1.2
93.07065	0.9
95.08612	9.7
97.02898	4.9
97.09549	1.6
97.10177	26.6
103.03949	100.0
103.07585	16.2
105.07062	1.7
107.07086	2.4
107.08636	1.2
109.02873	1.8
109.10167	6.9
111.10961	0.8
111.11726	14.7
119.07072	3.0
119.08593	1.3
121.05022	1.4
121.08623	8.9
121.10126	1.1
123.11717	4.0
125.13249	6.5
127.03934	2.3
131.07059	13.0
133.08624	18.7
133.10179	1.2
137.13249	1.5
137.95337	0.7
139.14804	1.0
145.04958	2.0
147.06532	11.2
151.09663	5.3
153.27220	0.9
163.09695	3.6
165.07623	1.1
175.09695	3.0
177.11217	5.8
179.18022	1.0
191.09151	5.6
195.12296	2.0
197.19031	13.4
199.20610	5.1
204.35141	0.7
207.12274	13.5
209.10313	1.7
209.13901	3.7
235.11775	13.2
241.21690	1.5
243.23291	3.2
253.12839	26.7
254.13397	0.7
285.24100	0.9
287.25739	6.0
331.28513	5.8
345.26440	2.0
349.29630	3.2
375.30948	1.6
387.31140	1.5
405.32178	4.5
433.31616	9.4
451.32693	56.4
452.32819	1.5
630.39380	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	8.5
55.05508	14.9
55.20094	2.5
57.01420	2.7
57.03445	2.9
57.07079	5.6
59.05006	29.0
61.94247	2.4
65.03941	5.4
67.05516	35.9
69.03429	3.4
69.07079	20.8
69.58716	2.7
70.06604	15.7
71.08623	3.5
73.02927	40.9
79.05505	30.2
81.03420	4.1
81.07069	100.0
83.08616	9.0
85.02921	11.2
87.04455	4.3
88.07626	14.3
89.06071	3.3
91.05487	31.2
93.07048	61.8
93.93153	2.4
95.04989	4.9
95.08620	73.7
97.06514	3.8
97.10182	5.2
99.04468	9.3
102.09189	8.2
103.07568	3.1
105.07043	53.8
107.08612	71.2
109.06544	3.7
109.10165	63.7
111.08076	3.6
111.11726	3.7
117.07022	9.7
119.08591	60.9
121.10151	56.6
123.11724	19.9
127.03919	11.8
131.07051	24.9
131.08557	13.5
133.10155	32.4
135.11714	29.2
143.08533	4.5
144.09305	2.8
145.04959	3.9
145.10149	21.9
147.11694	28.4
149.02344	33.1
149.13266	40.2
157.10165	5.2
159.11714	29.9
161.13283	26.3
163.14825	21.7
173.13326	13.3
175.14798	17.3
177.16399	8.9
179.08192	2.6
183.11662	2.7
185.13127	3.6
187.14836	10.8
189.16438	10.2
191.17969	2.9
193.04977	36.8
201.16470	15.3
203.17957	11.5
213.16331	3.7
215.17964	23.2
228.23232	37.3
231.21156	4.2
237.07524	12.7
250.11571	2.8
271.24231	36.8
289.25235	4.0
328.83975	2.9
341.06531	7.4
359.07623	8.1
366.86224	2.7
385.09250	18.9
429.11963	21.4
630.32825	79.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.4
55.01865	2.5
55.05524	8.5
57.03422	5.4
57.07070	2.0
57.94961	1.3
61.02934	9.3
64.82861	1.2
65.03925	3.1
66.04222	1.2
67.05181	2.3
67.05508	24.7
69.03437	21.4
69.07069	12.1
70.06576	1.8
71.04996	3.2
72.46835	1.3
73.02893	2.5
75.86118	1.4
79.05488	20.9
81.03439	9.5
81.07063	68.1
83.08601	6.0
85.02911	100.0
86.09695	2.8
87.04461	2.0
91.03944	5.7
91.05486	17.9
93.07049	46.8
95.04985	3.2
95.08617	58.0
97.02898	31.4
97.10149	4.5
99.04432	4.4
103.03978	1.7
105.07039	32.0
107.07883	2.4
107.08604	48.3
109.02898	10.9
109.10168	37.9
117.06965	2.8
119.04923	1.6
119.08589	43.0
121.10148	39.4
123.11707	14.8
127.03922	26.2
131.08571	7.5
133.10132	16.6
135.11687	18.0
137.13268	2.5
145.04979	40.2
145.10135	10.4
147.04454	2.1
147.11684	15.8
149.13271	21.3
159.11714	16.3
161.13278	18.0
163.06087	10.6
163.14832	16.3
173.13242	5.3
175.14804	12.2
177.13155	1.2
177.16408	14.3
187.14832	5.0
189.16370	8.8
191.17860	1.4
201.16393	9.2
203.17935	3.2
215.18005	15.8
231.21104	1.9
271.21313	1.7
271.24246	28.3
453.56107	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	630.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.4
53.15222	1.7
55.01872	3.9
55.05518	16.5
57.03423	5.6
57.07075	2.9
61.02929	9.2
65.03912	2.5
67.05506	39.5
69.03439	18.9
69.07073	19.8
71.00705	4.6
71.05011	4.0
71.08614	2.9
73.02908	2.6
79.05498	34.0
81.03410	8.8
81.07062	100.0
81.39375	2.0
83.08617	9.7
85.02908	83.8
85.47668	1.9
91.03978	5.0
91.05489	31.4
93.07050	67.5
95.04951	4.0
95.08611	74.7
97.02898	24.4
97.06513	3.8
97.10149	2.6
99.04507	3.2
103.03945	3.7
105.07040	51.7
107.08602	73.8
109.02886	7.0
109.10166	61.3
111.11761	3.0
115.40696	2.0
117.07036	5.8
119.08586	62.7
121.10147	54.8
122.10298	2.1
123.11710	18.9
127.03941	21.5
131.08583	16.1
133.10138	28.6
135.11719	26.8
137.13246	4.5
143.08559	3.4
144.09369	2.3
145.04959	27.8
145.10132	17.3
147.11707	31.5
149.13272	27.5
157.10162	2.6
159.11713	24.4
161.13260	27.9
163.05988	9.3
163.14859	19.5
171.11700	2.1
173.13321	13.9
175.14859	20.2
177.16406	17.5
187.14816	9.7
189.16379	14.1
191.17883	2.4
201.16402	14.3
202.50056	2.0
203.17949	9.2
213.16318	2.3
215.17952	24.1
217.19510	2.0
229.19481	4.5
231.21060	2.2
261.18921	2.1
271.24225	30.7
289.25269	5.8
310.92624	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	630.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58804	0.1
50.59702	0.1
51.02163	0.2
51.02394	0.5
51.14192	0.1
53.03948	1.2
55.01878	0.6
56.05037	0.2
57.03441	0.6
60.04536	0.1
61.02930	0.5
61.08343	0.1
64.89507	0.1
67.05498	0.7
68.05031	0.4
69.03437	2.9
70.06602	1.2
71.05003	0.5
71.29958	0.3
72.08174	1.0
73.02927	0.2
77.03946	0.6
79.05492	0.3
80.05045	0.2
81.03424	5.1
82.91733	0.1
83.01348	0.2
83.04972	0.2
84.04505	0.8
84.08147	1.0
85.02914	4.7
86.09711	0.7
87.04516	0.2
91.03945	0.3
94.06570	1.4
95.04975	2.3
96.04466	0.3
97.02901	3.5
98.06066	0.7
99.04471	0.7
102.04639	0.2
103.05477	27.5
104.05799	0.2
105.04510	0.3
108.04517	0.2
109.02893	2.8
110.06056	0.5
111.04423	0.2
112.03978	3.7
112.07606	0.4
114.05540	1.3
115.03949	0.2
119.04976	0.2
122.06015	1.2
123.04450	2.6
125.36183	0.1
126.05580	0.4
127.03932	1.8
129.10257	0.3
131.04941	100.0
132.05243	1.0
136.07584	0.2
140.07077	8.2
141.05461	0.4
142.08711	0.2
145.04959	1.0
147.04454	1.0
148.07495	0.2
149.05998	7.1
156.06610	0.2
158.08141	6.3
162.05461	0.1
176.09201	11.8
178.08571	0.2
200.09268	0.2
204.06544	0.2
218.10332	0.6
230.08325	0.2
233.08203	0.2
248.09198	0.6
257.08228	0.6
266.10257	1.5
275.09171	7.4
284.11411	0.2
293.10226	10.1
306.13373	0.2
414.15518	0.7
432.16562	0.7
450.17596	1.2
455.15686	0.7
468.18668	2.5
612.22864	0.8
630.23883	3.8
636.33594	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.2
52.15013	0.1
53.03944	0.4
53.34358	0.1
55.01862	0.1
56.05030	0.1
57.03436	0.4
61.02936	0.1
64.43928	0.1
65.03934	1.0
67.05523	0.1
68.05018	0.2
69.03436	1.4
70.06582	0.5
71.04984	0.1
71.40438	0.1
71.40806	0.2
72.08154	0.2
73.02894	0.1
77.30776	0.1
79.05495	1.9
80.05006	0.7
81.03424	2.1
81.07067	0.3
82.06585	0.1
82.21843	0.1
83.04446	0.1
83.04981	0.3
84.04492	0.2
84.08151	0.2
85.02913	2.1
87.04475	0.1
91.05486	7.8
91.85811	0.1
95.04949	0.4
97.02901	1.0
97.06533	0.4
98.04418	0.1
98.06060	1.7
99.04448	0.3
103.05459	0.3
107.04982	0.7
108.04474	0.1
109.02885	1.4
115.55067	0.1
116.07139	0.2
119.04946	19.1
124.07651	0.6
125.05991	4.6
126.05568	0.2
127.03951	0.7
131.04926	1.3
140.07025	0.3
142.08638	9.3
145.04982	0.3
147.04414	100.0
148.04739	0.9
160.07661	0.2
160.09700	5.4
165.05486	3.5
166.08566	0.1
175.28168	0.1
176.09143	0.2
178.08656	0.2
184.09840	0.1
202.10820	0.3
206.25757	0.1
232.09583	0.8
238.99115	0.1
250.10756	0.9
268.11926	0.2
273.07544	0.4
280.92734	0.1
288.12558	0.2
291.08652	5.1
291.26379	0.1
306.13354	0.2
309.09695	4.5
322.15042	0.2
324.41269	0.1
344.44302	0.1
414.15652	0.6
432.16382	0.4
450.17673	0.7
468.18652	1.2
471.15060	0.6
612.22430	0.4
630.23706	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57378	1.7
53.03934	6.7
55.01878	9.7
55.05268	2.9
55.05513	37.2
57.03445	12.3
57.07088	10.1
59.04984	3.1
65.03934	6.2
67.05511	91.9
68.05845	2.7
69.03384	1.7
69.06731	2.9
69.07073	38.9
71.04987	3.9
71.08640	11.0
71.51454	3.3
71.51812	2.5
72.98528	1.6
79.05499	54.6
81.03410	3.4
81.07062	100.0
83.04971	5.4
83.08631	21.2
85.06535	6.3
85.10173	3.1
89.06053	3.2
91.05488	45.8
93.07052	61.4
95.04979	10.6
95.08613	67.1
97.06520	11.9
97.10168	12.6
99.08113	12.2
103.05457	2.7
105.07038	46.3
107.04935	5.2
107.08595	30.1
109.06533	8.7
109.10157	24.1
111.08089	5.4
113.09647	4.5
115.05368	2.2
116.06203	1.6
117.07053	14.7
119.08588	36.5
119.09389	3.7
119.81183	1.7
121.06486	3.1
121.10166	24.6
123.08049	4.2
123.11732	9.7
125.09610	7.3
126.58416	1.9
127.11181	2.9
128.06206	2.0
129.06993	7.6
131.08566	22.9
133.10143	27.0
135.08073	3.5
135.11702	13.0
137.09641	4.9
137.13245	4.1
139.11156	2.3
141.07022	1.9
143.08582	9.6
145.10146	22.6
147.11707	21.8
149.09615	9.8
149.13235	9.1
151.11203	5.4
151.14824	2.1
155.08563	3.3
157.10098	8.0
159.11693	15.5
161.09575	2.9
161.13269	7.9
163.11211	5.9
163.14850	5.2
165.12775	5.1
171.11673	5.8
173.11896	2.4
173.13274	10.0
175.11253	2.6
175.14839	5.5
177.12761	3.7
179.14287	3.9
181.12323	2.1
183.11652	3.3
185.13248	6.3
187.14778	4.3
189.11266	3.4
189.16414	3.2
191.14407	2.3
193.12123	1.8
195.13795	2.2
197.13316	3.0
199.14874	4.4
201.16389	3.7
203.14372	3.4
205.15916	2.2
207.13806	1.9
211.14778	1.8
213.16423	2.0
219.17537	3.7
227.12775	4.3
229.19609	1.9
231.17569	2.0
247.20432	2.1
257.18988	6.2
259.20575	3.5
273.18475	2.5
275.20065	26.8
277.21582	7.7
279.23096	2.4
293.21008	6.4
294.21375	3.2
303.23071	2.2
335.25668	4.5
337.27499	17.0
349.23828	11.9
351.25446	1.9
353.26801	2.9
489.35217	2.9
517.39093	10.5
519.41852	3.3
529.38641	2.2
531.40527	12.2
537.42700	2.4
555.43616	2.7
557.41779	5.6
611.46741	30.7
629.47668	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	629.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15929	1.2
53.03958	6.0
54.89109	1.1
55.01868	4.4
55.05513	9.1
57.03427	5.2
57.07079	2.5
61.02938	7.0
64.65282	1.4
65.03941	1.7
67.05510	28.3
69.03436	17.5
69.07072	13.3
71.04991	2.6
71.29956	2.9
73.02921	1.9
78.33383	1.2
79.05494	25.9
81.03429	7.1
81.07062	100.0
83.08632	6.9
85.02912	65.8
85.06549	2.7
87.04456	1.6
91.03954	2.0
91.05490	17.0
93.07053	53.2
93.07643	3.0
95.04961	3.8
95.08615	73.0
97.02886	18.6
97.06550	3.6
97.10185	4.9
99.04459	2.1
105.07042	32.2
107.08604	45.2
109.02866	6.2
109.06530	10.4
109.09473	2.6
109.10168	33.6
111.08077	7.1
117.07023	5.4
119.07806	2.4
119.08596	30.5
121.06548	1.4
121.10152	32.0
123.08067	3.8
123.11727	12.5
125.09658	2.9
127.03925	13.0
127.34480	1.4
129.07001	2.5
130.07800	1.3
131.08568	14.4
133.10141	20.4
135.08043	1.8
135.11705	23.7
137.09621	3.7
137.13286	3.1
139.11137	1.4
142.07794	2.9
143.08549	7.9
145.04950	15.5
145.10155	20.5
147.11703	16.1
149.13277	30.2
151.11191	8.8
155.08603	1.7
156.09354	1.8
157.10126	10.5
159.11699	18.7
161.13289	15.4
163.06058	3.9
163.14844	8.3
165.12773	3.2
171.11720	6.3
173.13283	11.1
175.14796	7.3
176.51659	1.2
177.12775	3.5
177.16374	7.7
179.14345	1.5
185.13309	4.0
187.14839	11.4
189.16414	4.2
191.14345	2.4
193.15923	1.7
199.14828	9.9
201.16396	6.4
203.17952	4.8
205.15892	9.9
213.16394	18.4
219.17354	1.8
227.17940	4.1
229.19482	2.9
241.19592	1.6
243.21323	1.3
259.24231	2.5
269.22659	37.2
287.23703	28.6
305.24863	6.0
332.97195	1.3
386.29172	1.4
404.18768	1.5
405.67792	1.9
575.01819	1.6
632.94763	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.0
54.57164	1.7
55.01876	3.2
55.05518	17.0
57.03429	8.0
57.07080	3.9
61.02919	7.2
65.03935	3.7
67.05515	25.0
69.03436	27.9
69.07071	21.8
70.06575	2.8
70.36029	1.7
71.04999	4.6
71.39396	3.8
73.02904	1.9
79.05502	34.4
81.03417	9.0
81.07064	100.0
81.72919	1.7
83.04990	2.6
83.08622	6.0
85.02916	84.9
85.06535	4.9
86.09725	3.1
91.03991	3.2
91.05495	21.6
93.07053	69.9
95.04964	7.8
95.08614	57.3
97.02902	20.4
97.06528	6.7
97.10152	2.3
99.04439	4.1
103.03893	1.6
103.05458	2.4
105.07041	58.0
105.27026	1.9
107.07883	4.0
107.08607	77.8
109.02889	6.1
109.06525	15.9
109.10165	42.8
111.08117	4.0
117.07015	6.6
119.08590	43.2
120.08134	2.5
121.06443	3.0
121.10155	52.2
123.08068	4.1
123.11704	19.7
125.09620	12.9
127.03933	17.9
129.07042	3.6
130.07719	2.4
131.08565	16.1
133.10135	31.2
135.08069	2.3
135.11691	16.3
137.09599	5.2
137.13261	2.8
139.11116	2.0
142.07796	3.5
143.08582	13.4
144.09351	2.5
145.04970	22.5
145.10149	25.3
147.11703	23.0
149.09567	2.8
149.13277	62.1
151.11192	31.6
153.12732	1.9
156.09398	2.1
157.10130	18.9
158.10986	2.2
159.11710	29.3
161.13263	19.9
162.13673	1.6
163.06061	3.5
163.11200	3.9
163.14825	7.5
165.12747	3.4
171.11739	12.3
173.13287	20.4
175.14894	9.5
177.12737	2.7
177.16362	4.8
179.14261	1.9
185.13286	6.2
187.14825	11.8
188.15533	2.0
189.16393	11.2
190.91408	1.8
191.14436	2.8
193.15984	1.7
199.14806	13.6
201.16428	10.9
203.17966	3.8
205.15862	5.5
213.16417	19.3
214.16756	1.9
215.17871	4.8
227.18021	4.0
229.19548	5.2
235.40623	2.0
262.84723	1.9
269.22653	34.2
287.23679	14.8
305.24710	2.5
489.14459	1.9
523.08801	1.8
647.19037	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	629.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23739	0.5
51.19958	0.5
53.03950	1.0
55.01859	0.5
55.05516	3.5
57.03440	1.3
57.07067	0.8
59.04990	1.2
64.70158	0.5
65.03960	0.6
67.05173	0.8
67.05506	8.5
69.07063	3.1
69.21526	4.3
71.05009	0.8
71.08638	4.8
73.72871	0.5
77.03875	0.6
79.05496	8.2
80.05872	0.5
81.03429	0.8
81.07062	11.2
83.04977	1.4
83.08610	1.4
85.06555	0.6
87.04440	0.6
89.06027	1.9
90.18769	0.5
91.05488	7.1
92.05790	0.7
93.07053	7.9
94.07366	0.5
95.04982	1.0
95.08617	5.2
97.06519	0.6
97.10134	1.1
99.08093	3.3
105.07043	5.1
107.04975	0.6
107.08600	5.0
109.06492	0.6
109.10153	2.9
111.08080	0.6
115.10159	0.4
117.07028	1.7
119.08578	3.8
121.06548	0.5
121.10142	4.2
122.10529	0.5
123.08155	0.6
123.11774	1.2
124.42452	0.5
129.07045	1.1
131.08525	3.0
133.06479	0.5
133.08635	0.8
133.10139	3.1
135.11708	2.2
137.06041	0.6
137.09648	0.9
143.08604	0.8
145.10173	2.2
146.09628	0.5
147.11697	1.7
149.13281	1.7
151.11174	1.3
157.10152	1.4
159.11739	1.5
161.13235	2.3
163.11217	1.2
163.14908	0.8
165.12796	0.5
173.13293	0.8
175.14890	0.7
177.12753	0.8
179.14349	4.0
185.13330	1.0
187.14839	0.8
189.12955	0.6
219.17747	0.6
220.17921	0.5
224.24844	0.5
237.13985	0.6
241.19455	0.8
243.21056	0.8
245.13040	0.4
258.11716	0.5
261.22147	0.9
263.86874	0.5
275.20111	1.0
276.15143	0.7
276.20474	0.8
277.21652	3.9
289.12436	0.5
302.13019	0.5
303.14050	0.6
312.39532	0.5
317.24878	1.1
318.16052	1.2
335.25885	4.2
337.15659	0.7
338.16016	0.6
339.16855	0.6
351.25421	3.3
351.29141	0.6
352.17908	0.6
353.17773	1.9
365.17899	1.1
367.19559	1.0
368.20599	0.6
377.17770	0.7
379.15198	1.0
379.19241	1.6
382.19266	1.1
391.15710	0.7
393.16940	2.5
393.21585	0.6
394.18079	1.1
395.18860	1.5
406.18436	0.7
407.18756	1.8
408.19370	2.2
409.20453	5.8
419.18491	0.7
420.19211	0.7
421.20560	3.1
422.21030	1.9
423.21887	12.8
424.23227	2.4
434.21402	1.1
435.22272	4.0
436.22473	1.8
437.23337	2.0
441.23230	0.7
446.21167	0.7
447.17877	0.8
448.18500	0.6
449.23541	1.4
450.24042	1.8
451.21637	1.7
454.19940	2.5
457.36786	0.6
461.23575	3.1
462.20776	0.8
463.21576	2.3
464.21799	0.6
465.23334	1.0
466.20193	0.6
467.20209	4.7
476.22083	1.3
477.22964	4.7
478.23929	2.6
479.20972	0.8
481.22296	1.9
482.23288	4.0
483.24179	0.8
493.21826	2.8
494.23401	1.4
495.24231	3.2
496.24704	1.5
508.24817	9.0
509.25854	9.3
510.26437	8.2
511.27203	8.7
513.39374	1.1
515.37366	0.9
519.23828	1.6
522.22534	1.1
525.28418	3.6
526.27179	0.6
531.40546	1.0
537.24951	17.4
538.25879	2.2
539.22144	0.6
541.24432	6.0
542.29071	3.6
552.24908	0.7
554.25366	1.3
569.27679	21.8
570.28497	1.2
597.27106	42.6
598.27338	2.2
601.30200	3.1
611.46790	7.8
629.29742	100.0
629.47382	4.6
630.30084	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	629.297
Annotation	Primary fluorescent chlorophyll catabolite
Peak:m/z	Relative Intensity
55.05510	1.6
57.07080	1.0
58.06620	0.6
59.05006	1.3
67.05514	3.8
69.07080	1.2
70.90282	0.8
71.08620	0.6
79.05501	2.0
81.07063	3.7
83.08651	0.8
84.13686	0.4
89.06034	1.2
91.05490	1.4
93.07055	1.7
95.04949	0.9
95.08629	2.6
97.10197	0.6
105.07062	1.3
107.08613	1.8
107.19546	0.5
107.20258	0.5
109.10189	1.1
119.08592	1.5
121.10137	0.8
123.08099	0.6
131.08565	0.8
133.08588	0.9
133.10152	0.9
135.11682	0.8
145.10136	0.9
147.11687	0.5
151.11227	0.5
152.08717	0.5
159.11757	0.8
171.11653	0.7
214.35764	0.5
219.09283	0.5
219.11270	0.7
221.10704	0.6
223.12312	1.0
235.12337	0.6
237.13815	0.6
245.12952	0.6
275.20288	0.7
277.18039	0.6
304.18036	0.6
313.15701	0.6
318.16110	1.2
328.18124	0.6
330.16202	0.6
334.15536	0.5
335.25806	1.1
337.15628	0.7
337.27396	0.9
343.49475	0.5
351.16714	0.6
353.17902	2.1
362.18707	0.6
365.17789	1.6
367.19699	1.3
379.19354	2.1
379.99847	0.5
381.17334	0.6
382.19153	0.6
391.19748	0.7
392.17004	0.6
393.17084	1.5
394.18134	0.8
395.18774	0.8
405.17221	0.7
406.18060	0.6
407.18671	2.9
408.19479	1.8
409.20413	4.7
419.18637	0.9
421.20374	3.6
422.20996	2.0
423.22034	10.0
424.22659	2.0
425.19574	0.6
434.21835	0.7
435.22205	4.1
436.22650	2.0
437.24252	2.4
446.20847	0.7
449.23532	1.6
450.24228	2.1
451.21457	1.0
453.19101	0.9
454.20389	2.4
461.23529	3.9
462.20822	0.9
463.21323	1.4
467.20575	5.6
476.22083	1.3
477.23065	3.9
478.23737	3.4
479.20633	0.9
480.21780	0.9
481.22485	1.9
482.23276	3.1
483.24561	0.6
487.20923	0.7
493.22046	3.4
494.23495	1.6
495.24033	3.8
496.25357	0.8
502.23236	0.6
505.22061	1.2
506.22757	0.7
508.24829	8.6
509.26025	6.4
510.26486	7.0
511.27258	9.6
519.24127	1.2
522.23004	1.2
525.28522	3.7
531.40820	0.6
537.25049	17.3
538.25476	2.6
539.23370	0.6
541.24414	5.8
542.29266	2.6
553.24719	0.6
554.25250	0.9
569.27667	19.2
570.27679	0.9
597.27136	38.0
598.27319	1.2
601.30261	2.4
611.46973	1.4
629.29755	100.0
630.30127	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	629.2248
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
55.05490	2.5
59.04996	2.2
67.05499	3.7
69.07064	1.9
70.93439	2.4
79.05495	3.9
81.07046	4.3
85.06525	1.2
91.05482	3.2
92.69361	1.1
93.07061	5.5
95.08627	2.2
102.17761	1.1
105.07047	7.7
107.05004	1.3
107.08605	2.8
109.06506	1.3
109.10173	2.3
115.05457	1.4
117.07022	2.1
119.08577	3.9
121.06523	1.0
121.10160	4.2
123.08096	1.8
125.05981	1.3
131.08583	3.2
133.10117	2.4
135.11746	2.2
137.09560	2.0
143.08575	3.2
145.10123	1.3
147.08075	1.3
147.11638	1.6
149.09628	1.7
155.08565	1.4
157.10143	3.6
159.11757	1.4
161.09706	1.7
163.00748	1.1
163.11150	2.0
167.08624	1.6
167.10670	3.7
169.10248	1.9
171.11655	2.1
181.10115	1.7
183.11633	1.7
185.13234	1.2
195.11787	1.6
199.11272	1.5
207.11754	1.6
215.10565	1.6
221.15424	1.5
233.15532	1.4
396.12430	2.7
398.13913	1.6
399.14758	1.8
402.82220	1.2
410.13828	2.8
411.14459	5.5
412.15320	4.9
413.16107	3.6
424.15329	3.3
425.16251	13.7
426.16760	9.8
427.17770	3.3
428.18765	3.1
438.12506	1.7
438.17630	2.0
439.13516	17.9
440.19049	7.6
441.19302	36.0
442.19406	2.1
452.15018	4.3
453.15393	22.3
454.16409	5.2
467.17188	25.1
468.17923	18.9
469.18768	12.1
481.14642	12.0
482.15732	1.8
484.20999	3.7
485.18414	3.2
495.16351	1.5
496.17184	10.2
497.17245	2.6
498.19284	3.4
500.20712	4.8
509.18341	1.6
512.21021	1.6
513.21094	3.8
523.19037	2.4
528.20166	1.5
541.20959	42.6
542.21283	2.6
553.21716	1.4
569.20270	100.0
570.20551	6.5
573.23505	2.8
586.20300	1.4
597.19720	30.5
597.38501	1.2
598.19971	2.0
600.22498	2.1
601.23041	14.0
629.22247	65.3
629.41272	3.3
630.22784	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	628.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.7
57.03429	0.6
57.07079	35.7
59.05003	13.7
67.05502	2.3
68.05845	0.7
69.03420	0.7
69.07077	4.3
70.81079	1.0
70.81557	0.5
71.08638	29.8
73.06561	8.7
76.54070	0.5
77.06060	0.7
78.34377	0.6
78.79574	0.6
79.05489	1.6
81.07056	2.9
83.08633	3.0
84.06731	0.6
85.10190	18.1
87.04478	17.7
89.06040	46.8
91.05534	1.4
93.07047	2.6
95.08609	2.2
97.10166	4.5
99.11725	3.8
103.03949	100.0
103.07584	10.3
105.07027	1.4
107.07085	0.9
107.08567	1.1
107.70248	0.6
109.10152	1.7
111.11699	3.3
113.06031	0.9
113.13296	2.4
117.07027	0.9
117.09155	6.0
119.07043	1.3
119.08578	1.5
121.08627	1.3
121.10136	1.1
125.13253	1.5
127.14812	1.5
131.07056	5.0
131.08542	1.1
133.08617	15.6
133.10121	1.2
141.16385	0.7
145.10123	1.3
147.06538	11.1
147.10190	4.0
147.11647	0.6
159.11746	0.6
161.11763	1.1
163.09686	2.7
173.13268	0.8
175.09729	2.2
177.11276	7.5
183.21115	2.9
191.09155	5.3
207.12323	3.0
219.12300	0.8
221.13843	1.4
227.23816	2.8
235.11787	6.6
251.14940	1.1
265.16489	0.6
271.26297	7.2
279.14581	1.5
315.29114	3.8
383.22504	0.7
429.23434	2.1
611.43829	2.2
628.46570	3.9
629.45990	0.7
650.10211	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.5
57.07080	29.8
59.05002	2.2
67.05511	2.4
69.07070	4.8
69.54450	0.5
69.70214	0.6
69.70567	3.2
71.08636	31.0
73.06557	7.8
77.19182	0.5
79.05481	1.8
81.07068	2.0
81.28546	0.5
83.08622	4.8
85.10191	17.4
87.04473	6.4
89.06037	100.0
90.06332	0.7
91.05458	1.3
91.07590	0.8
93.07053	1.5
95.08621	1.4
96.08900	0.5
97.06520	0.9
97.10181	5.4
99.11749	2.5
99.39244	0.5
105.07034	0.8
107.07088	1.2
107.08612	1.5
111.11720	2.9
113.13306	2.1
117.07104	0.7
117.09129	6.3
119.08595	1.2
121.10163	0.6
123.11708	0.5
125.13277	1.4
127.14841	1.4
129.07091	0.6
130.08664	1.7
131.07071	1.8
131.08617	0.7
133.08612	48.9
135.10173	0.7
139.14886	0.8
141.16426	0.6
143.08669	0.6
155.18011	0.8
157.47292	0.5
160.11940	0.8
161.11789	1.5
161.13171	0.6
163.88939	0.5
171.11658	0.6
175.09726	1.4
177.11229	18.2
195.12399	0.6
197.22681	2.6
221.11945	0.6
221.13766	3.4
228.66875	0.6
239.14891	0.9
241.25310	2.0
265.16592	2.0
276.20740	0.7
283.17606	1.3
285.27841	6.4
285.30695	0.7
309.19168	0.9
329.30490	3.5
371.22632	1.2
415.25397	3.6
461.42258	0.5
523.42328	0.7
567.44592	0.7
610.44659	1.1
611.47363	4.8
628.48944	1.8
629.47961	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01871	1.8
55.05269	1.6
55.05514	23.3
57.03409	2.1
57.06797	2.4
57.07077	37.2
59.51312	1.1
61.02911	3.8
64.87018	1.0
67.05500	2.6
69.03442	7.1
69.07069	64.3
70.06594	5.8
71.08244	1.6
71.08632	28.1
71.50818	1.7
71.51231	1.7
72.08154	3.3
73.02895	1.3
79.05482	1.6
81.03407	3.2
81.07044	5.1
83.08620	46.1
84.08137	2.2
85.02911	38.0
85.10187	17.9
86.09705	3.6
91.03936	2.3
91.05505	1.4
93.07018	3.0
94.75710	1.1
95.08589	3.1
97.02906	11.1
97.09557	2.3
97.10171	42.5
99.04472	1.9
99.11722	2.8
107.08601	1.3
109.02879	2.5
109.10087	1.2
111.11729	27.9
111.95699	1.1
113.13276	2.2
120.08135	1.4
121.10104	1.8
125.13287	15.0
127.03930	8.2
127.14793	1.2
139.14870	5.9
141.16351	1.3
143.14308	1.3
145.04961	10.1
153.16393	1.7
163.06027	4.5
167.17944	3.0
169.19492	1.5
181.19452	2.2
195.21117	2.3
232.30646	1.2
249.58681	1.0
269.28394	100.0
270.28632	1.8
280.23645	1.1
287.29398	10.1
310.30890	1.9
600.60852	1.3
651.95068	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.2
55.01863	3.5
55.05269	1.3
55.05515	17.4
57.03204	1.2
57.03445	13.7
57.07055	1.6
59.05003	3.7
65.03940	3.4
66.86069	1.0
67.05508	47.0
69.03423	2.5
69.07074	16.3
69.81573	5.5
71.05003	2.7
71.08637	2.1
72.62947	0.9
77.03912	1.0
79.05501	42.6
80.99531	1.0
81.03407	2.9
81.07063	49.2
83.04961	2.3
83.08624	7.4
85.06527	4.2
86.85848	0.9
89.06020	1.2
91.04906	1.5
91.05487	41.6
93.07052	44.1
95.04963	5.0
95.08617	37.6
97.06533	6.9
97.10156	3.7
99.04447	2.7
99.08115	1.8
103.05450	1.5
105.04500	1.4
105.07044	28.3
107.04967	6.4
107.08598	20.0
109.06540	7.3
109.09493	1.4
109.10168	13.0
109.15000	1.0
111.08073	2.0
114.70813	1.0
117.07021	14.4
119.08600	22.0
121.06507	2.9
121.10165	14.4
123.08081	3.0
123.11702	3.0
125.09641	1.4
129.07021	4.7
131.08575	21.6
133.10141	18.8
135.08049	4.2
135.11705	9.8
137.09631	3.5
143.08568	3.3
145.10132	10.8
147.08089	1.2
147.11708	7.4
149.09628	4.5
149.13217	4.1
149.14282	1.0
155.07408	1.1
155.08556	1.5
157.10115	2.4
159.11703	9.5
160.12390	1.0
161.13287	5.8
163.11159	2.6
171.11713	1.4
173.13261	4.3
175.14783	3.1
177.12776	1.3
179.14360	3.0
183.11841	2.2
185.13310	4.5
187.14810	2.0
187.54715	1.0
191.14261	1.3
199.14847	1.0
201.16513	5.2
203.14304	3.2
219.17465	100.0
220.17743	1.5
239.17972	1.3
257.19034	4.5
261.22314	1.5
273.18497	3.0
275.20093	26.2
277.21542	1.9
279.60120	1.0
291.19522	1.4
293.21097	2.9
335.25858	57.9
336.25745	1.3
337.27264	1.4
349.23880	10.2
462.77112	1.1
515.37152	1.6
529.38495	2.0
609.45142	29.6
627.46283	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	627.2816
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
53.27714	0.7
69.15142	7.8
70.06574	0.9
89.10102	0.6
91.05509	1.4
95.04999	0.8
136.07672	1.6
136.25362	0.7
138.09071	1.5
144.08096	0.9
146.09694	1.4
170.09673	0.7
172.07622	0.7
172.09946	0.9
174.09160	5.8
185.50635	0.8
187.08716	1.2
187.12299	5.7
188.10782	2.3
190.05014	0.9
191.93636	0.8
196.10019	1.0
197.10773	1.5
199.08591	0.9
210.09329	0.8
211.08698	2.0
211.12419	0.8
212.09477	1.4
213.10291	0.8
215.11780	3.5
221.10802	0.7
225.10304	3.1
227.11836	2.6
235.08784	2.3
237.10397	1.1
239.11888	2.6
240.12543	0.8
241.09679	0.8
241.13441	2.9
243.11319	26.2
248.09659	1.0
249.10338	1.6
250.08740	0.9
251.11818	2.0
253.09778	1.9
265.09802	1.2
267.11298	7.7
268.12076	1.2
269.12988	2.4
277.09860	1.8
279.11465	1.1
285.12439	3.2
291.11124	1.7
292.10831	0.9
293.13049	1.4
295.10678	3.6
299.14215	1.5
300.11713	1.2
301.12323	1.2
301.15442	4.7
302.13190	0.7
305.12070	0.8
309.12491	2.8
314.13174	1.8
315.13751	1.1
316.10971	1.9
318.12460	1.3
319.10812	1.6
320.14047	0.9
325.15527	9.0
327.13443	7.0
328.10870	2.4
328.14255	1.3
329.11844	1.7
330.12378	2.6
331.13336	1.0
332.14053	0.9
334.15512	1.4
341.11795	1.1
342.12177	4.3
342.16068	1.0
343.13364	3.2
344.13928	3.9
345.14935	1.4
346.15546	2.5
348.13458	3.3
351.13434	1.3
354.12564	1.2
356.13968	4.1
357.14853	2.4
358.15619	3.9
359.16284	0.9
360.17096	0.9
370.11490	0.9
370.15649	2.9
372.13229	1.2
372.17239	4.5
373.17987	0.7
374.14938	1.6
380.13818	1.0
384.17511	1.1
386.14478	1.2
386.18756	2.2
388.17017	0.8
394.18069	1.1
398.15063	1.0
400.16742	2.8
402.14398	1.0
403.15747	1.4
404.16064	0.9
407.15417	1.5
412.16846	1.2
415.15836	0.7
416.16269	1.0
417.17441	1.2
418.18091	1.1
421.16888	1.3
422.17734	0.8
424.21765	0.9
430.18167	0.9
431.18805	1.8
432.19409	4.4
435.14307	1.9
435.19116	1.6
436.19733	0.9
437.19843	1.8
442.17740	0.9
444.19406	1.2
446.21362	1.3
447.21777	2.8
448.20535	1.3
449.15265	1.3
449.20282	2.5
450.16180	1.3
450.21738	0.9
451.17670	2.3
460.18600	2.4
461.24103	1.5
462.24081	2.9
463.22290	3.4
464.17990	1.1
465.18860	14.5
466.20001	1.2
476.20709	0.9
477.18774	1.2
478.20569	2.0
479.20642	6.3
480.21567	3.8
481.22534	2.9
489.22974	1.0
490.20590	1.2
491.20798	1.3
492.21359	3.1
493.22809	3.7
494.22589	1.1
504.21371	2.8
505.19415	1.0
507.24216	6.4
508.21185	1.6
517.22333	1.5
521.23584	0.9
535.23462	8.2
541.24323	0.9
549.25116	12.7
550.25244	0.8
552.24036	0.9
553.24609	1.6
563.23053	1.4
567.26080	69.5
568.26349	1.8
577.24323	1.5
595.25537	51.2
596.25928	1.2
609.26904	1.5
627.28174	100.0
628.28522	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	627.2817
Annotation	red chlorophyll catabolite
Peak:m/z	Relative Intensity
50.01027	0.3
64.99660	0.3
66.58307	0.3
67.05492	0.3
70.06593	0.4
70.22871	1.3
91.05498	0.5
91.45415	0.3
91.70959	0.3
92.92479	0.4
93.07051	0.5
158.29068	0.3
162.39754	0.3
184.09900	0.4
186.91241	0.3
197.10710	0.4
208.00581	0.3
377.17746	0.7
378.18634	0.3
379.19040	0.4
391.19528	0.8
392.20132	0.7
393.20908	1.7
394.21576	0.5
395.22705	0.5
400.21689	0.4
405.16605	2.2
405.21176	0.9
406.18063	1.4
407.17737	0.6
407.22821	3.1
408.23462	0.5
418.17838	0.5
419.18387	2.7
420.19180	1.9
421.20303	4.2
423.21872	0.9
433.20523	4.2
434.21393	4.5
435.22086	5.4
436.22559	1.0
447.22586	0.8
449.19650	6.2
462.20453	0.4
463.21326	2.4
464.22424	1.6
465.18668	0.6
466.24139	0.4
467.24765	0.7
477.22870	0.6
479.19891	1.8
480.21603	0.4
481.22070	1.9
493.22360	1.7
494.23297	2.6
495.23904	2.3
507.24176	8.9
509.25290	0.5
510.26050	0.6
521.23834	0.4
526.25873	0.6
539.22394	2.3
549.25012	1.1
553.24573	0.8
566.24921	0.4
567.26196	17.2
568.26953	0.8
581.14948	0.4
595.25653	0.5
596.26337	0.5
599.28473	0.4
609.27155	0.7
627.28186	100.0
628.28394	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	627.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00499	0.8
67.05501	1.7
79.05509	2.3
81.07055	2.3
84.37154	0.8
91.05499	1.7
93.07071	1.2
95.08614	1.4
105.07059	1.5
119.08612	1.3
121.10172	1.0
136.07625	1.5
144.08098	0.9
146.09679	2.4
174.09183	3.4
187.12329	5.3
188.10765	2.5
197.07214	1.1
207.09251	1.1
209.10841	1.1
211.08751	1.4
212.07375	0.9
212.09369	1.6
213.10323	1.2
215.11778	2.3
224.09253	1.2
225.10252	3.8
226.11055	1.3
227.11821	2.5
235.08670	1.8
236.09596	1.1
237.10359	1.1
239.11879	3.2
241.13377	2.1
243.11314	25.7
243.13675	1.7
249.10309	1.9
251.11807	1.5
252.08827	1.6
253.09755	2.8
253.13379	1.3
267.11349	8.3
269.12936	2.4
277.09842	2.6
285.12552	2.4
295.10892	5.0
300.11404	1.0
301.15799	1.8
302.12891	1.3
309.12439	1.1
311.13785	1.3
314.12918	1.2
316.10931	1.6
316.14493	1.2
319.10791	1.6
325.15552	13.1
326.12939	1.1
327.13663	3.5
328.10919	2.3
328.14441	1.3
329.11740	1.4
330.12653	1.9
331.13266	1.0
334.15591	1.8
340.14581	1.1
342.12482	4.1
342.16266	1.5
343.13467	4.3
344.13754	4.3
344.17697	1.1
346.15396	2.0
348.13525	5.9
354.12350	1.5
356.14047	3.9
357.14856	1.7
358.15640	4.0
360.17175	1.7
362.14975	1.5
366.18350	0.9
370.11465	1.5
370.15683	2.2
371.16614	1.5
372.17310	4.9
374.14865	1.2
386.14801	2.1
386.19165	1.8
398.15109	1.2
400.16614	2.5
403.16379	2.7
407.14987	1.2
408.16092	1.1
412.16586	1.4
418.17529	1.6
419.18869	1.3
420.16696	1.3
422.17682	1.6
431.18561	1.7
432.19232	2.6
435.13705	1.4
435.18753	2.1
436.19949	1.7
437.19806	2.4
447.21951	2.8
449.15515	1.5
450.16461	1.2
451.17395	1.9
459.17740	1.1
460.19125	2.3
461.23505	2.6
462.24088	3.7
463.21341	3.2
464.18381	1.3
465.18900	15.5
476.20850	1.0
477.19177	2.1
478.20398	1.6
479.20599	7.0
480.21637	6.4
481.22577	4.5
489.23154	1.5
490.23233	0.9
491.21231	1.2
492.21677	3.4
493.22980	4.6
494.23260	2.2
504.21460	3.0
505.18359	1.0
506.22977	1.1
507.24146	4.5
508.20944	1.9
517.22449	1.8
520.21124	1.5
535.23413	7.3
537.22107	1.0
549.24969	15.3
550.24408	1.2
552.24353	1.2
553.24530	2.4
567.26086	90.1
568.26282	2.6
577.24420	2.9
595.25555	100.0
596.25970	2.3
609.27264	2.1
627.28174	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67848	0.4
53.03925	0.4
57.03433	0.5
61.02933	3.8
66.76559	0.3
67.18942	0.4
68.99780	0.6
69.03447	2.4
69.37544	3.1
70.06603	2.4
72.08149	1.4
73.02905	1.1
80.35672	0.4
81.03407	1.1
84.04496	0.9
84.08146	1.4
85.02917	11.6
86.09718	0.9
91.03958	2.6
91.05502	0.5
97.02903	3.7
98.21582	0.8
99.04451	0.5
105.21632	0.3
109.02853	1.1
111.00827	0.8
119.11111	0.4
120.08079	0.4
121.02848	0.9
127.03908	2.3
129.10193	0.4
137.02344	3.0
145.04997	2.3
149.02365	0.6
153.01830	3.2
163.03973	1.1
163.06018	0.8
165.01851	1.7
166.87604	0.4
167.58388	0.4
183.02930	1.3
201.05550	1.2
229.05009	3.2
247.06120	0.9
257.04404	3.2
274.04904	1.1
285.03885	1.0
303.05017	100.0
304.05316	1.2
315.05063	1.2
317.79337	0.5
327.04788	0.5
345.06155	1.8
351.95358	0.4
369.06131	1.5
381.05530	0.4
465.10245	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	627.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34410	0.1
55.01870	0.2
56.05027	0.1
57.03430	0.5
61.02930	4.1
65.03935	0.2
67.01862	0.1
68.99794	0.4
69.03437	0.9
69.73174	0.1
69.99740	0.5
70.06596	0.3
71.05006	0.1
72.08143	0.3
73.02914	1.0
74.06075	0.4
76.45807	0.1
81.03403	0.4
84.04488	0.1
84.08121	0.2
85.02908	4.3
86.55525	0.1
91.03416	0.2
91.03956	2.1
93.03413	0.2
95.04947	0.1
96.30222	0.1
97.02894	2.3
99.04443	0.2
108.81972	0.1
109.02870	0.5
111.00797	0.9
115.03927	0.1
120.08112	0.4
121.02877	0.9
123.04453	0.2
127.03930	1.2
135.04439	0.2
136.52469	0.1
137.02348	4.1
137.03406	0.3
145.04944	0.6
145.06313	0.2
149.02354	0.4
153.01828	3.2
155.04800	0.1
161.05981	0.2
163.03944	0.7
163.05983	0.2
165.01834	2.0
166.02646	0.2
173.05977	0.3
177.05476	0.2
183.02864	0.7
183.04491	0.3
187.03912	0.3
191.03432	0.2
195.02892	0.5
201.05479	1.3
205.04976	0.2
213.05614	0.2
215.03499	0.2
219.06622	0.3
228.04166	0.2
229.04990	3.8
243.02760	0.2
245.04416	0.1
247.06042	0.8
257.04437	2.8
265.15417	0.1
274.04819	0.5
275.05508	0.2
285.03986	1.2
299.05450	0.2
303.04996	100.0
304.05316	1.6
315.04971	0.9
316.05927	0.1
327.04962	0.4
337.07327	0.1
341.06628	0.2
345.06073	1.6
355.08267	0.1
369.06076	0.8
429.08118	0.3
447.09122	0.3
465.10309	9.6
466.10693	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3271
Annotation	Dauricine
Peak:m/z	Relative Intensity
53.03955	0.4
55.01860	0.6
55.05493	0.4
56.05026	0.7
57.03423	0.6
58.06569	1.5
61.02906	0.8
67.05489	0.5
69.03426	0.7
69.66752	0.7
69.67162	1.4
70.06593	7.3
71.06918	0.3
72.08155	3.2
73.02876	0.4
74.06052	0.4
79.05471	0.8
81.03371	0.4
84.01530	0.4
84.04483	1.2
84.08140	3.7
85.02879	1.3
86.09705	2.0
91.05479	4.5
93.07024	0.6
95.06094	0.4
97.02867	0.6
98.06085	0.4
98.20807	0.6
103.05480	0.6
105.07010	1.6
107.04932	3.0
109.02834	0.4
109.06513	0.5
110.07182	0.6
112.11244	0.4
115.05440	0.8
116.07051	0.9
117.07027	0.8
119.04916	1.1
120.08078	1.1
121.06547	1.7
128.06242	1.0
129.06981	1.7
129.10210	1.5
130.04225	0.4
131.04947	1.8
132.08052	0.4
133.06461	0.6
135.04404	0.5
135.08025	0.4
136.05232	0.6
136.07523	0.7
137.05960	1.3
138.06726	0.6
139.29517	0.4
143.04912	1.6
144.05733	1.7
144.08092	0.7
145.06471	2.6
146.07225	0.8
150.06764	1.3
151.07545	5.7
158.07285	5.0
159.04402	1.6
159.07979	1.1
160.05203	0.4
160.07645	1.8
160.08771	0.4
161.05997	1.1
161.08359	0.8
162.06772	0.4
162.09149	2.2
163.03880	0.5
163.07507	0.6
164.08334	0.5
165.07013	0.7
165.09122	8.2
167.08629	0.6
174.06787	6.2
174.09155	2.6
175.07614	2.4
175.09938	5.8
176.07045	0.7
176.08400	0.9
176.10724	1.4
177.07864	0.9
177.09178	1.8
178.08621	1.0
179.08562	1.0
179.10645	0.4
181.06531	0.5
188.06961	0.8
188.08434	0.8
188.10710	0.8
189.09123	10.4
189.11530	0.5
190.08635	10.8
190.10291	0.7
191.09459	5.4
192.10242	3.2
193.11107	0.9
194.07326	0.6
195.08025	1.3
195.11497	0.4
196.08847	0.6
199.07530	0.8
204.10249	4.6
205.06413	0.5
205.10939	0.9
206.11775	71.0
207.08110	1.1
207.12263	0.7
208.08940	0.5
209.09645	0.8
210.10391	1.1
211.07584	1.8
213.09180	4.4
218.11794	0.8
219.08183	0.7
220.08968	0.5
221.09724	0.8
222.10370	0.7
223.07550	1.5
223.11186	0.7
224.08383	0.7
225.09076	2.2
226.09883	0.6
227.10681	1.0
227.12727	0.4
235.07491	0.8
235.11211	0.7
236.08290	0.7
236.12096	0.7
237.09070	1.7
238.06201	0.4
238.09962	1.4
239.07184	0.6
239.10674	2.8
241.12280	0.7
249.09149	0.8
250.09898	1.0
251.06927	0.4
251.10725	4.0
252.11443	1.1
253.08598	0.8
253.12248	0.7
254.09331	0.9
254.13089	1.9
255.10216	0.8
265.08575	0.6
266.10379	0.5
266.13086	4.3
267.10162	1.5
267.13568	0.5
268.10953	0.7
269.11728	2.8
270.12549	1.0
279.10248	0.8
281.11807	3.2
282.12521	1.3
343.13327	0.7
360.13480	0.4
372.13907	0.4
373.14294	0.7
374.15411	0.7
375.16071	0.9
376.16611	2.0
387.16089	0.8
418.20276	0.6
419.20892	1.5
451.19992	1.7
517.19263	0.5
520.21985	0.5
551.24231	0.7
582.28510	5.5
594.28564	3.2
625.32745	100.0
626.23260	0.6
626.33063	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	625.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.1
57.03439	0.7
59.04997	1.3
63.85189	0.7
66.18663	0.7
67.05510	7.8
69.03447	0.8
69.07056	2.4
69.16556	0.7
69.16846	8.0
79.05503	7.0
81.03426	1.7
81.07059	7.0
83.05011	1.0
83.08635	1.4
91.05488	4.7
92.09413	0.7
93.07049	4.6
95.04952	1.2
95.08614	6.1
97.10169	1.0
105.07054	4.3
107.08614	2.7
109.06546	1.5
109.10168	2.3
117.07032	2.2
119.08573	4.0
121.10155	2.8
129.07050	0.8
131.08559	3.0
133.06561	1.0
133.10138	1.9
133.82806	0.6
134.66681	0.6
135.11746	1.2
143.08586	1.9
145.10158	2.2
147.08099	1.5
147.11685	1.6
149.09639	1.5
151.98524	0.7
157.10156	1.4
159.08176	1.2
159.11673	1.0
161.09526	0.9
161.13261	0.9
163.11288	1.4
171.11723	0.9
173.13368	1.3
177.12766	0.7
183.11710	1.1
227.17943	0.8
273.18549	4.6
275.20096	1.0
291.19601	1.2
335.25873	1.1
375.15955	1.5
376.16956	1.1
389.17609	2.4
390.18573	3.2
393.20819	0.9
402.19077	1.2
403.19287	2.7
404.20151	3.2
405.20914	3.3
407.22751	1.0
413.17746	0.9
415.19452	2.2
416.20197	1.7
417.16531	1.6
417.21277	1.6
418.17926	2.1
419.22318	2.8
427.19177	1.0
429.21033	1.4
430.22028	1.1
431.18774	2.9
432.19940	1.1
433.20169	15.4
443.23090	1.1
445.20209	2.7
446.21051	3.8
447.22058	5.8
457.16806	1.1
457.23935	1.8
459.22122	2.5
463.20929	1.6
471.22260	1.1
472.19034	1.1
473.19223	1.9
473.24167	1.5
474.20422	3.6
475.21075	5.3
476.22165	1.3
483.21680	2.7
485.23334	1.4
486.20432	2.3
487.21313	3.0
488.22116	2.1
489.22711	1.7
491.20236	5.0
492.25299	1.1
500.22620	1.6
501.23035	7.3
502.24237	3.5
503.24667	1.6
513.22784	0.9
516.21039	1.0
517.22675	1.4
519.19617	0.8
519.24323	1.3
520.24915	6.1
527.37506	1.3
529.22375	1.8
531.24042	2.6
533.22058	1.7
546.22345	1.0
547.23450	12.8
548.24200	3.2
557.21802	3.1
563.26697	1.0
565.24207	2.1
575.22968	5.1
579.26160	1.7
589.24615	2.8
607.25598	42.0
608.25629	1.4
625.26605	100.0
625.44318	5.6
626.26959	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	625.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.9
54.68280	0.6
55.05515	2.0
62.05559	0.6
67.05505	3.9
69.07072	1.2
70.11917	0.9
70.12281	2.6
79.05497	3.1
81.03430	0.8
81.07063	4.4
81.80601	0.6
83.04982	0.7
83.08637	1.0
91.05493	2.2
93.07059	2.8
95.08611	2.4
97.02996	0.6
97.06565	0.6
97.10171	0.6
105.07050	1.8
107.08595	1.6
109.06506	0.7
117.07066	1.0
119.08597	1.8
121.10149	0.8
123.08082	0.7
129.07010	0.6
131.08586	1.9
133.10141	1.3
135.11694	0.7
145.10164	1.3
145.37891	0.6
147.11729	1.2
157.10167	1.1
159.11682	1.0
169.10156	0.9
171.11694	0.6
181.10129	0.6
183.11809	1.0
206.11853	0.7
230.10661	0.5
237.14037	0.8
239.15312	0.6
247.83691	0.6
251.15335	0.6
273.18500	1.5
311.25833	0.8
389.17667	1.2
390.18680	1.1
391.19305	0.8
403.19440	2.0
404.20065	2.1
405.21411	1.0
406.17596	0.8
407.18478	0.8
413.18658	0.8
415.19357	1.3
416.20532	1.1
417.21042	2.3
418.21725	0.8
419.22757	1.2
421.23898	3.6
429.21191	1.2
431.18381	2.0
431.22601	2.2
433.23920	2.0
443.18311	0.7
445.20047	2.1
446.20645	1.6
447.22137	1.3
449.19510	0.9
450.20834	0.8
451.21573	1.4
455.18588	1.0
457.24222	1.7
459.21951	2.7
460.22565	1.7
461.19922	2.0
462.20615	0.8
465.22870	1.0
472.18704	0.7
473.18912	3.5
474.19629	3.4
475.20966	10.1
476.22058	1.4
477.23627	3.2
483.21927	2.5
485.23361	1.0
486.20816	2.0
487.21439	7.2
488.22220	2.2
489.23080	1.0
491.21042	2.7
492.25015	1.9
493.25980	1.1
501.23047	9.7
502.19247	5.6
503.20047	4.6
504.21622	0.9
505.22311	2.0
513.22662	3.3
514.20331	0.9
515.20966	1.3
519.24152	5.2
520.24670	1.2
529.22394	7.3
531.24023	1.5
533.21893	0.8
537.25000	1.9
538.26154	0.9
539.20831	2.0
547.23523	19.6
548.24402	1.9
549.24969	0.8
557.22229	1.2
565.25073	1.5
566.25458	2.1
575.22913	8.1
589.24243	4.8
607.25568	57.6
608.25922	1.7
625.26624	100.0
625.44391	4.6
626.27264	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	625.266
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57885	0.8
55.05500	4.2
57.03424	1.2
57.07064	1.0
59.04992	2.2
61.75946	0.9
62.90215	1.0
67.05516	6.1
69.07066	2.6
70.06590	4.2
71.04948	1.3
76.01250	1.0
79.05499	6.6
81.03408	1.0
81.07069	7.2
83.08604	2.9
86.06043	1.3
91.05484	6.0
93.07061	6.1
95.08620	5.0
97.10188	1.0
100.16111	1.0
105.07063	4.6
107.08614	3.7
109.06528	1.5
109.10141	2.3
116.07111	6.1
117.06963	1.1
119.08605	3.2
121.10156	3.1
122.09694	1.4
123.11696	1.4
129.07088	1.4
131.08562	3.4
133.10136	3.0
143.08591	1.4
144.08066	1.5
145.10149	2.3
146.09689	2.2
147.08046	1.4
147.11731	1.1
149.09705	1.8
155.08698	1.3
157.10173	2.5
159.09250	1.2
159.11642	1.4
161.09584	1.1
164.10718	7.5
171.11749	1.7
188.10742	1.0
195.11894	1.1
202.22383	0.9
215.17947	1.1
222.11520	1.3
223.12392	3.6
224.13123	1.2
235.12534	1.3
237.13916	3.4
238.14655	4.1
247.12590	1.1
248.11771	1.2
251.15416	3.1
261.13953	1.4
263.14288	1.1
264.14990	2.9
273.12906	1.0
273.18533	2.3
276.14926	1.2
288.15115	2.5
289.15872	1.0
292.14514	2.4
298.13345	1.1
302.13181	1.0
302.16788	1.5
306.16205	1.4
307.16568	1.4
335.26144	1.3
344.14310	1.2
354.12503	1.1
355.09445	1.2
363.17453	1.4
364.18039	1.3
370.12161	1.9
386.11328	1.5
388.18414	1.0
389.17932	2.2
390.19302	1.3
391.19647	1.7
403.19162	1.6
405.21329	1.4
414.10956	7.9
415.11533	1.9
417.21066	1.8
430.14053	2.0
431.18417	1.8
445.20251	3.2
446.13739	2.2
446.21024	2.3
449.19742	1.7
457.16611	1.3
458.21893	1.8
459.22571	1.7
460.22147	1.9
461.20813	1.3
461.22931	1.3
462.15973	5.7
463.21347	1.3
464.21902	1.2
471.34561	1.1
473.23804	13.5
474.19830	1.2
475.25171	2.9
479.25018	5.5
487.21146	2.4
488.22061	3.7
489.23016	2.3
490.20288	1.7
501.23413	6.4
502.19824	1.2
503.24503	5.4
506.22568	1.5
507.24014	18.5
527.37518	3.1
529.22778	2.0
531.24054	7.4
532.22363	2.0
533.21686	2.4
547.23102	4.1
548.23767	3.3
549.24646	2.3
550.21985	1.9
551.22711	2.1
557.22107	3.0
558.20496	2.2
565.22888	2.2
575.22925	33.4
576.21387	8.0
578.20850	1.3
579.22418	2.4
580.22314	1.3
589.24438	3.2
593.23938	29.0
597.24103	1.9
601.11255	1.4
607.25574	100.0
608.24628	11.4
624.44977	1.7
625.26556	93.8
625.44055	5.1
626.26947	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	625.266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41248	0.3
55.05493	0.9
59.04993	0.3
67.05518	2.2
69.07059	0.8
79.05505	1.3
81.07062	1.7
83.04947	0.3
83.08632	0.2
83.24833	0.2
89.06058	0.3
90.64238	0.2
91.05482	1.3
93.07049	1.4
93.89449	0.3
95.04981	0.3
95.08602	1.5
97.10165	0.3
105.07053	1.0
107.08594	1.1
109.06465	0.4
109.10171	0.6
117.07029	0.7
119.08561	0.8
119.73413	0.3
121.10143	0.8
129.06987	0.4
131.08569	0.4
133.10170	0.5
134.49545	0.2
135.11668	0.5
137.09593	0.2
142.57288	0.3
145.10098	0.5
147.11626	0.3
148.07565	0.3
149.09613	0.3
157.10191	0.5
159.11734	0.4
161.13222	0.4
163.11232	0.3
170.08426	0.3
173.13251	0.3
177.47432	0.2
179.14323	0.3
180.19380	0.2
183.09077	0.2
193.81746	0.3
197.10844	0.3
207.09157	0.4
209.10718	0.6
211.12332	0.5
221.10791	0.8
222.11514	0.3
223.12187	0.5
225.10333	0.3
225.13846	0.3
235.12407	0.5
237.13919	0.4
245.10945	0.3
249.14070	0.3
249.62047	0.2
251.15251	0.3
253.13435	0.4
266.71002	0.3
267.11325	0.3
273.18570	0.6
277.21466	0.3
289.17624	0.3
290.18185	0.3
291.19727	0.7
297.12607	0.3
298.13391	0.5
300.14777	0.5
302.16348	0.3
312.14914	0.4
313.15747	0.4
326.16388	0.7
328.18109	0.5
338.16644	0.3
340.18192	0.5
347.22375	0.4
350.16370	0.3
351.17538	0.3
357.14685	0.4
362.15582	0.3
363.16385	0.5
368.17700	0.3
372.17044	0.5
373.17877	0.3
375.16132	0.6
376.16968	0.7
377.17694	2.1
378.18649	1.3
379.19464	0.4
384.17242	0.4
389.17572	1.3
390.18610	1.9
391.19205	5.5
392.19980	3.4
393.21246	1.0
400.20306	0.5
403.19406	1.1
404.20166	2.6
405.20822	11.0
406.21530	4.1
407.16907	0.4
407.22385	7.2
408.22913	0.3
416.20560	0.5
417.20837	1.0
418.21762	1.3
419.17661	0.4
419.22464	5.4
420.23138	4.8
421.16934	1.3
421.23840	9.8
422.17386	1.3
422.24561	0.8
423.18561	0.3
424.22449	0.4
429.20523	0.3
430.21884	0.3
431.18115	0.6
431.23080	0.6
432.18878	0.4
433.24582	3.1
434.19119	0.3
434.24829	2.6
435.18204	2.5
435.25378	0.7
436.19199	2.3
437.19760	1.2
443.22717	0.3
444.23801	0.3
445.20319	1.3
446.20724	0.4
447.21832	1.1
449.19775	2.8
449.26065	0.5
450.20386	2.0
451.21320	24.2
452.22055	5.6
458.17432	0.3
460.22586	0.9
461.23151	1.3
462.20370	0.4
463.21500	2.0
464.22220	2.0
465.22888	18.8
466.23685	3.5
473.19678	0.9
474.19724	0.5
475.20184	0.6
475.25055	1.2
476.21912	0.4
477.21918	0.3
477.26700	1.1
478.23746	1.8
479.24393	3.6
487.21252	1.4
488.21933	1.6
489.22739	0.7
491.19952	1.4
492.20883	2.8
493.26056	15.2
494.26468	2.3
501.22729	0.8
502.23718	0.7
503.24420	9.3
504.25067	1.4
505.22241	1.4
508.21286	0.5
509.21848	4.3
511.23657	0.4
519.24042	1.0
521.18762	0.3
521.25525	9.9
522.25964	0.7
523.23401	10.0
524.24060	0.9
526.26025	0.5
527.36627	0.3
537.25055	7.1
538.25763	23.4
539.25983	0.9
547.23663	2.8
548.24463	0.5
563.27332	0.4
565.24506	14.0
566.25226	3.9
579.25800	0.4
581.27576	8.8
582.28510	0.3
593.24127	0.4
607.25592	7.8
608.26129	0.4
625.26563	100.0
626.26947	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	623.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87936	2.1
53.03939	10.1
53.07964	2.4
55.01873	5.8
55.05511	34.7
56.37187	2.5
57.03436	15.7
57.07071	3.2
59.05005	13.7
65.03937	4.4
67.05505	100.0
69.03432	30.3
69.07061	16.0
71.04978	9.4
71.33792	4.2
73.02963	2.2
79.05074	3.4
79.05497	50.2
79.59258	1.9
80.87524	2.1
81.03421	67.4
81.06588	4.2
81.07055	64.4
83.04987	31.4
83.08626	13.6
83.55456	2.1
85.02898	6.7
85.06541	3.7
91.05492	34.3
93.07043	45.0
95.04955	11.3
95.08612	37.0
95.23205	2.1
97.02885	20.9
97.06529	6.7
97.10165	15.2
99.04487	4.6
99.08083	3.6
103.03929	4.3
105.04527	5.8
105.07022	27.5
107.04937	3.0
107.08595	25.6
109.02892	8.5
109.06497	6.9
109.10146	51.7
111.04439	10.8
111.08144	2.9
115.05497	2.5
117.07060	12.7
117.09115	3.0
119.08566	21.7
121.06482	5.3
121.10140	20.0
123.04439	3.1
123.08076	3.7
123.11685	6.7
125.09650	17.7
127.03924	13.0
129.05492	16.0
129.07014	12.6
129.07841	2.2
131.08548	15.7
133.06523	4.0
133.10138	19.8
135.08076	7.2
135.11646	10.8
137.09636	5.3
141.06979	2.4
143.08585	9.6
145.06543	3.2
145.10127	15.1
147.08063	3.2
147.11690	15.4
149.09648	5.1
149.13260	2.7
150.72717	2.7
151.07552	3.0
151.11229	3.9
153.06981	2.7
153.09117	2.9
155.08612	4.2
155.10684	4.8
157.10114	7.8
159.08020	4.8
159.11673	13.4
161.09561	3.9
161.13257	3.4
169.10074	4.7
171.08168	3.5
171.11702	10.0
173.11757	14.4
173.13197	5.0
175.11221	3.0
179.10760	3.6
181.10127	2.5
183.11693	2.8
185.09612	3.9
187.11192	3.2
189.11223	13.2
189.12721	3.5
195.11684	2.4
197.13332	4.2
205.12233	3.0
213.12645	3.7
215.17929	5.5
217.19319	4.7
223.10722	2.7
227.12730	12.9
229.12250	3.5
229.14316	26.7
233.10901	2.5
233.19009	9.1
235.20554	4.8
243.17415	2.6
245.13878	4.9
261.18524	3.7
275.20004	4.0
289.18237	4.7
289.21707	2.7
299.14804	4.7
307.22598	9.1
309.24261	12.6
326.16483	2.8
341.21011	6.9
359.22324	3.7
371.16956	4.1
373.18509	4.1
377.23288	4.4
433.25610	5.3
437.80777	2.6
440.15900	7.0
448.21747	2.9
451.26846	3.6
458.17258	12.8
461.32330	4.4
479.33731	3.3
529.22272	4.0
563.25574	4.6
569.34387	3.2
587.35614	5.3
605.23822	4.7
605.36688	20.7
623.26752	20.6
623.38104	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	623.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95201	2.1
53.03949	8.1
55.01872	5.4
55.05524	24.4
57.03438	9.3
61.02932	29.7
65.03938	3.6
67.05509	53.5
69.03421	10.0
69.07076	20.0
70.06592	5.8
70.75051	6.1
71.04975	5.2
72.08147	5.3
73.02909	8.1
79.05498	39.5
79.34354	2.3
81.03439	11.1
81.07057	48.5
83.04976	5.5
83.08621	14.7
85.02912	21.4
85.06538	4.7
91.03970	15.4
91.05489	46.9
93.07050	42.6
95.04975	8.8
95.08622	26.7
96.10576	3.0
97.02905	17.8
97.06551	4.8
97.10163	3.1
103.05472	3.6
105.07043	45.7
107.04956	6.3
107.08617	22.7
109.02880	5.4
109.06535	6.3
109.10149	12.2
111.08057	4.3
114.55140	2.3
115.03857	2.5
115.05460	3.2
117.07019	34.2
119.08585	26.8
121.06487	8.7
121.10144	12.7
123.08062	5.0
123.11708	2.6
127.03909	8.9
128.06223	11.1
129.07024	45.8
130.07777	2.4
131.08583	47.3
133.06490	7.4
133.10162	13.4
135.08076	5.4
135.11732	6.3
137.09669	3.2
141.07005	15.4
141.11034	2.7
143.08574	33.5
145.04938	2.4
145.06485	10.3
145.10149	19.6
147.08040	7.5
147.11703	7.5
149.09624	7.3
153.07013	3.6
154.07802	4.3
155.08563	23.8
156.09329	3.3
157.06534	3.6
157.10141	20.7
159.08064	5.6
159.11697	15.9
161.09653	4.6
163.11223	5.5
165.07016	5.7
167.08662	12.1
169.10159	18.3
171.08061	5.2
171.11665	12.1
172.47928	2.7
173.09656	5.3
173.13208	4.9
175.11148	4.9
177.12733	4.0
179.08501	5.3
181.10155	14.2
183.08107	2.9
183.11685	9.3
185.13264	8.9
187.11243	3.2
187.14842	4.3
193.10217	3.3
195.11615	12.1
197.13240	10.5
199.14787	5.7
201.12737	5.4
207.11707	5.8
209.13258	9.1
211.11346	2.5
211.14845	8.4
215.14371	9.3
221.13298	8.6
223.14824	9.5
225.12808	3.5
225.16434	2.6
227.14326	4.2
235.14883	8.4
239.14308	6.3
241.16005	3.7
253.15909	6.6
257.15283	5.5
265.14645	3.2
271.16943	5.3
285.18335	3.0
289.18073	2.6
305.22342	3.3
323.23724	7.8
333.22168	16.9
341.24783	9.7
351.23206	49.0
369.24292	34.0
387.25482	17.7
425.26752	7.1
433.29221	2.5
443.27975	100.0
444.28326	2.8
445.29572	3.6
461.29013	54.7
477.27203	3.2
623.24408	2.8
623.34052	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.1
59.05020	2.0
60.97392	0.4
62.73141	0.4
64.29211	0.4
65.03934	0.4
67.05510	1.8
67.08766	0.4
69.07068	1.1
70.95419	1.2
71.49725	0.4
75.50800	0.4
79.05508	1.8
81.03441	0.5
81.07069	1.4
83.04974	0.5
83.08662	0.5
85.06557	0.5
91.05484	1.4
93.07083	2.0
95.04989	0.5
95.08633	1.6
105.07059	1.4
107.08587	0.8
109.10184	0.8
114.25671	0.4
117.07020	0.7
117.09153	0.8
119.08591	1.4
129.07008	0.6
133.10129	0.6
135.08128	0.5
135.11790	0.7
143.08630	0.5
149.13345	0.5
193.10194	0.5
197.10902	0.4
223.12360	0.7
225.13957	0.5
311.13962	0.5
375.16461	0.6
389.17694	1.2
390.18835	0.8
391.19321	1.8
392.90524	0.5
401.17819	0.7
402.18494	0.7
403.19617	1.9
404.20303	1.0
405.16495	0.9
405.21375	2.1
406.21320	1.3
407.22369	1.2
415.19550	0.8
416.20334	0.6
417.16959	1.6
417.21307	1.3
418.17981	1.5
419.18707	2.5
419.22855	1.5
421.24158	2.4
429.17014	1.4
430.17551	0.9
431.17703	2.0
431.23050	1.5
432.19119	1.0
433.19800	2.9
434.21008	1.5
435.21887	1.7
443.18713	1.3
444.19598	1.4
445.20163	3.6
446.21155	2.4
447.22641	3.9
448.22556	1.7
449.23508	5.8
457.20102	0.7
458.21286	2.0
459.21899	10.2
460.22757	2.2
461.19690	2.2
461.24350	1.2
462.20807	1.3
463.21371	1.5
465.22968	0.6
473.23767	0.5
474.20203	0.5
475.20584	2.0
476.21948	5.7
477.23206	4.2
489.23337	2.2
490.23648	0.8
503.24506	1.4
505.22095	0.7
517.22180	0.6
519.23584	2.0
521.22363	1.4
531.24182	1.3
533.25928	3.2
535.27570	4.4
545.25781	3.2
546.26062	0.5
547.26990	4.6
563.26575	18.9
577.28040	0.8
585.12860	0.5
591.26105	1.8
593.27081	0.5
595.29150	0.7
603.80499	0.5
605.27631	4.8
606.20575	0.3
606.28363	17.9
623.28705	100.0
624.29089	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	623.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.8
57.03447	0.5
57.07068	0.3
59.05003	0.7
63.47477	0.3
64.38943	0.3
67.05511	1.9
69.07073	0.6
70.09526	0.6
70.09935	1.3
70.34240	0.3
76.21109	0.3
79.05499	1.3
81.07054	2.3
83.04970	0.4
83.08640	0.6
91.05510	1.4
93.07062	1.5
95.04992	0.6
95.06483	0.3
95.08626	1.0
97.06525	0.4
98.20776	0.3
100.05056	0.3
105.07056	0.8
107.08631	0.8
109.10174	0.5
119.08617	1.2
121.06486	0.4
121.10239	0.4
128.06189	0.3
131.08583	0.8
133.10179	0.5
135.11746	0.5
145.10149	0.7
159.11702	0.4
172.27867	0.4
209.10953	0.4
224.13034	0.4
275.20013	0.4
333.15540	0.4
363.40271	0.3
372.17264	0.7
375.15649	0.5
387.15909	0.5
388.16959	0.5
389.17590	1.2
391.19156	0.8
401.17783	0.8
402.18536	1.6
403.19803	1.7
404.20218	0.8
405.20911	1.7
406.21646	0.4
407.22885	0.4
415.19455	0.9
416.20245	1.3
417.17087	1.8
417.22015	1.9
418.22046	0.5
419.22638	5.0
420.23575	0.5
428.16055	0.5
429.16556	0.8
429.21582	0.5
430.17682	1.0
431.18799	3.6
431.23001	1.9
432.18930	2.2
433.20572	2.5
435.21967	0.6
440.16183	1.3
443.18579	3.6
444.19745	1.1
445.20178	8.5
446.21075	4.5
447.22672	4.8
449.23563	1.5
450.24020	0.6
457.20288	1.2
458.16150	2.6
459.21957	4.3
460.23074	0.9
461.19839	1.3
462.20432	1.9
463.21152	1.6
464.54004	0.4
473.23553	1.0
475.21255	1.8
476.21994	5.8
477.22873	6.2
478.23883	0.4
489.23227	2.2
490.23718	0.6
491.20905	1.1
501.23288	0.5
503.24722	0.7
504.24438	0.3
505.21613	0.7
505.26358	0.5
518.23242	0.6
521.22192	1.5
529.22552	0.6
533.25555	14.2
534.25916	0.5
535.24103	1.3
545.25647	1.0
548.24341	0.5
561.25073	0.5
563.26630	18.2
564.26691	0.9
590.25494	0.7
592.27087	0.4
593.27637	4.0
594.25128	1.4
605.26465	1.5
623.28693	100.0
624.28784	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	623.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.2
57.07059	0.2
59.04996	0.6
59.08636	0.2
61.22948	0.2
64.75500	0.2
67.05511	0.6
75.08109	0.2
79.05497	0.5
81.07065	0.7
83.08612	0.3
91.05520	0.4
93.07063	0.6
95.08621	0.5
105.07047	0.5
107.08651	0.2
113.09440	0.2
119.08598	0.5
119.52197	0.3
121.10147	0.3
128.35916	0.2
129.07033	0.2
131.08545	0.3
137.32130	0.2
144.08020	0.2
145.10056	0.3
183.09312	0.2
209.10881	0.3
210.11646	0.2
223.12276	0.5
224.13110	0.3
235.12276	0.2
237.14001	0.3
289.18170	0.2
373.14679	0.2
375.16330	0.5
377.17923	0.3
387.16336	0.4
388.17157	0.8
389.17752	1.1
390.18622	0.3
391.19260	1.4
392.20026	0.3
401.17737	0.8
402.18552	1.0
403.14822	0.3
403.19476	2.3
404.20169	0.8
405.21033	2.1
406.21646	0.6
407.22391	1.3
414.18716	0.4
415.19611	1.4
416.15408	0.3
416.20761	1.1
417.16656	0.8
417.21613	2.1
418.17490	0.6
418.21829	0.6
419.17667	0.5
419.22934	3.2
420.23169	1.1
421.24161	0.3
429.17212	0.9
429.21597	0.6
430.17044	2.1
431.17935	2.9
432.18454	1.3
432.24142	0.5
433.20203	5.4
434.20920	0.9
435.21945	0.9
443.17944	1.6
444.19089	2.4
445.19901	5.2
446.21036	3.1
447.21951	4.5
448.23053	1.1
449.23224	0.9
457.19943	0.4
458.21002	7.3
459.21799	5.5
460.22769	5.1
461.18570	1.0
461.24539	0.3
462.20294	0.5
463.21158	1.9
471.22308	0.4
472.22775	0.4
473.23932	1.1
475.21704	1.3
476.21866	1.9
477.22968	2.0
485.23926	0.4
486.24661	0.4
487.24930	0.7
489.19199	0.7
489.23660	0.6
490.23477	0.3
491.24390	0.9
501.23431	0.3
503.19818	0.4
503.24200	0.8
504.25253	0.7
505.21429	1.0
507.27994	0.5
516.21033	0.3
517.22571	1.1
518.23016	4.5
519.24048	0.8
521.21503	1.1
530.23602	0.5
531.24115	1.1
532.24573	0.6
533.25616	6.9
534.26202	0.3
535.27808	1.7
536.23804	0.2
545.25439	2.5
546.26453	0.9
549.24933	0.4
561.25177	0.3
562.25116	0.3
563.26300	9.2
564.26740	0.3
573.24915	0.9
577.28333	0.7
591.26117	1.8
605.27631	9.4
606.28070	0.4
623.28638	100.0
624.28931	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11554	0.4
57.27264	0.4
61.39755	0.5
63.79527	0.5
71.15890	0.8
75.70304	0.5
162.76088	0.5
173.85278	0.6
194.98434	0.5
223.12344	0.6
376.17563	0.7
378.18811	0.7
388.18082	0.6
391.19305	1.6
392.19937	1.7
393.21045	0.7
393.55841	0.5
399.16006	0.9
400.17178	0.6
401.17758	0.9
403.19312	0.7
404.15848	0.6
405.21329	2.5
406.21686	2.5
407.22302	8.8
412.16849	0.6
413.17899	0.6
414.18491	1.6
415.19113	2.3
417.21045	1.1
419.23071	1.1
420.23325	1.4
421.23880	7.8
422.24686	2.0
427.19299	0.9
428.20181	1.0
429.21100	2.9
430.21732	0.8
431.18405	0.9
432.19073	0.6
433.20258	2.1
443.22830	2.2
444.23141	1.4
445.20300	2.0
447.17957	1.3
456.19336	1.1
457.24152	1.4
458.25134	1.2
459.22235	2.9
460.22818	1.1
461.18811	3.3
462.20422	1.8
463.21268	0.9
470.20966	0.9
471.22324	0.6
472.22885	1.8
473.23550	0.8
475.21243	4.7
476.21808	2.5
477.23135	2.2
485.23788	4.8
486.20422	1.7
487.20999	1.3
488.21851	0.9
489.22769	2.8
499.21112	4.7
500.22021	1.5
502.23291	0.7
503.24255	7.0
507.24158	0.9
513.23035	1.7
514.23651	0.6
515.24170	0.9
517.25732	2.2
518.23517	0.7
521.25311	0.7
531.24377	0.6
535.27258	5.2
545.25543	22.1
546.25696	1.2
563.26776	1.6
564.27625	1.2
573.24988	6.6
577.28088	1.9
591.26202	2.7
605.27570	17.6
623.28656	100.0
624.28912	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02334	0.8
71.03897	1.7
71.04240	1.1
87.15649	0.7
107.56596	0.9
116.67151	0.8
121.65070	0.8
181.28529	0.8
217.86755	0.7
223.12234	1.2
232.13615	0.7
282.65912	0.9
295.00583	1.0
349.93506	0.9
375.16464	1.0
376.17053	1.0
377.17627	1.6
389.17816	1.1
390.18701	2.4
391.19327	3.4
392.20114	2.8
393.20749	1.3
399.15906	1.3
401.17743	1.9
402.18954	0.9
403.19498	2.1
404.20776	1.8
405.20798	6.4
406.21643	5.2
407.22394	13.3
411.17044	0.8
413.17834	3.6
414.18512	2.5
415.19223	4.3
416.20346	1.1
418.22079	1.2
419.22656	2.3
420.23193	1.7
421.23877	11.9
422.24850	2.5
427.19345	2.5
428.20056	3.7
429.20844	13.3
430.21591	2.4
433.19748	2.2
433.24979	1.2
435.26001	1.3
441.21469	1.1
442.21643	2.9
443.22595	8.3
444.23700	4.3
445.19919	1.9
447.17624	1.2
448.26425	1.3
452.22095	1.0
455.18698	0.9
456.19882	2.2
457.25027	4.2
458.25113	8.5
459.21863	9.7
460.22791	2.7
461.19095	5.2
462.20444	2.3
463.21457	1.8
470.21158	1.6
471.21600	1.1
472.22690	8.4
473.23444	3.0
475.21118	7.1
476.21640	6.9
477.22635	4.3
478.22922	1.1
485.23685	19.1
486.19403	1.8
486.24384	3.5
487.20938	2.4
488.22232	2.0
489.22839	2.5
493.26108	1.5
498.20590	1.0
499.21463	3.9
500.22003	2.1
501.22296	0.9
502.23795	1.8
503.24622	10.1
513.22980	4.7
514.23920	1.6
515.24603	1.7
517.26489	9.2
521.25677	2.3
529.26190	2.2
531.23828	1.5
535.27374	6.6
545.25531	100.0
546.25726	3.9
563.26312	1.4
564.27295	1.9
573.25018	22.8
591.26111	1.5
605.27637	97.5
606.28021	2.6
623.28668	93.8
624.28564	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	623.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	1.0
56.75661	0.7
59.05011	0.9
60.63871	0.7
62.70628	0.6
67.05508	1.6
69.26295	1.9
73.29386	0.6
78.18489	0.6
81.07062	1.6
91.05554	0.8
93.07074	0.8
95.08606	1.0
99.97095	0.6
105.07034	0.7
119.08604	0.8
139.09668	0.7
168.54718	0.8
206.81926	0.7
296.00500	0.7
305.68289	0.6
379.41660	0.6
389.18607	0.9
390.18491	1.0
391.19162	1.6
400.17053	0.8
402.18903	0.7
403.19873	1.1
404.20642	1.9
405.20935	4.9
406.21729	0.9
413.17801	1.0
415.19269	3.3
417.21210	1.4
419.22693	1.6
421.23914	2.4
427.19507	1.0
428.19907	1.0
429.20993	4.4
430.22067	2.2
431.18097	0.9
431.23120	1.0
433.19528	3.9
442.21680	1.1
444.23349	2.8
445.20178	3.5
446.20956	1.1
447.18497	2.6
448.22678	2.2
452.22296	0.9
457.24225	4.2
458.25003	0.7
459.21677	4.3
460.22467	4.0
461.19397	13.5
470.21204	0.9
472.22513	2.2
475.21042	4.1
476.22043	15.4
477.27048	2.1
485.23633	12.3
486.20041	5.0
487.20609	1.1
487.25476	2.0
488.22086	2.9
489.22922	2.7
497.23431	1.0
500.22116	2.5
502.23364	1.1
503.24524	11.4
513.23108	2.1
515.24438	12.8
521.25665	12.7
531.23950	19.9
532.24445	0.8
535.23755	2.7
536.23608	1.4
545.25226	2.4
549.25012	16.2
559.23425	9.4
563.26373	4.3
564.27679	1.4
591.26074	48.5
592.26886	1.6
623.28674	100.0
624.28961	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	623.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77317	1.0
67.05494	2.4
79.05503	1.3
81.07076	3.0
93.07042	1.9
95.08625	2.9
105.07063	2.7
107.08643	1.4
109.10147	1.5
117.14836	1.1
119.08604	1.7
121.10204	1.0
128.06389	1.2
131.08629	1.4
133.10233	1.2
145.10161	1.3
168.71045	1.2
190.45265	1.3
225.13950	1.5
263.03595	1.1
391.19052	1.5
405.20728	3.0
406.21609	2.0
415.19315	1.9
420.23306	1.7
429.20978	2.5
433.19867	2.9
443.22589	1.2
445.19971	1.5
447.18323	4.5
448.22272	3.4
457.23996	1.6
459.21808	3.3
460.22595	2.2
461.19620	9.3
462.20764	1.3
475.21283	3.1
476.22037	18.0
477.22949	2.3
485.23599	6.3
486.20990	2.3
488.21954	1.6
489.23291	1.8
489.55389	1.3
497.24109	1.6
500.21957	1.4
503.24551	6.9
515.24500	4.9
519.23999	1.3
521.25830	5.3
531.24048	13.3
536.23718	3.5
545.25531	3.0
549.25079	7.6
559.23645	3.7
563.26117	10.5
591.25964	24.3
623.28571	100.0
624.28925	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	623.285
Annotation	Unknow
Peak:m/z	Relative Intensity
65.56443	0.6
69.21183	0.7
69.21516	6.7
78.03875	0.6
100.56342	0.5
208.09990	0.7
209.10768	1.1
223.12337	1.1
225.13887	1.3
237.13770	0.9
292.60687	0.7
377.17523	1.5
378.18729	0.8
390.18494	1.3
391.19220	2.6
392.20099	1.7
404.15982	1.0
405.21225	1.7
406.21732	3.1
407.22363	8.2
408.23157	0.8
418.17526	1.6
419.17883	1.1
419.22568	1.9
420.23306	1.4
421.24106	4.4
431.18542	0.9
433.20480	1.5
434.20847	1.6
435.21851	8.4
436.22510	1.0
447.17929	2.3
447.23035	1.5
448.18546	2.3
448.23206	1.6
449.23834	4.9
450.24423	1.1
457.19916	0.9
461.19012	3.0
462.20197	4.6
463.21262	13.1
475.21820	3.2
476.21735	7.7
477.22794	11.9
478.23520	4.5
489.22778	0.8
490.23557	1.2
503.24576	0.9
504.21326	1.5
521.25781	1.0
531.23444	0.7
535.23901	2.3
536.23492	3.7
537.24994	1.2
545.25403	2.9
547.27057	1.0
549.24878	5.8
550.25775	1.1
563.26312	11.5
564.27216	12.7
573.25391	1.0
580.26282	0.8
591.26099	6.3
594.26788	1.5
595.28766	2.7
605.27545	3.0
608.25970	2.1
623.28564	100.0
624.29126	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	623.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04989	1.2
70.90034	1.0
72.23255	0.4
91.05513	0.6
139.85028	0.4
152.41814	0.4
221.10805	0.4
225.13899	0.5
246.32860	0.4
311.29462	0.7
376.16745	0.5
377.17700	1.3
378.18442	1.2
389.18130	0.4
391.19135	2.8
392.19882	2.8
393.20886	0.9
404.20026	0.8
405.21057	2.5
406.21735	4.3
407.22375	10.1
417.21176	0.5
418.21851	0.6
419.22455	1.5
420.18530	0.7
420.23557	1.2
421.24207	6.3
422.24692	0.6
429.20673	0.6
431.22583	0.7
433.24734	0.8
435.21896	11.4
438.20447	0.7
444.23102	0.7
447.17453	0.8
448.18448	0.6
448.22971	0.6
449.23535	5.2
450.24088	1.6
452.22491	0.7
459.21957	1.1
460.23172	0.7
461.19891	1.2
462.20520	3.3
463.21320	13.6
473.23752	0.6
475.21332	1.7
476.21738	3.0
477.22876	14.8
478.23480	2.9
485.23331	0.6
487.24954	1.5
489.22906	0.9
491.24646	0.9
493.26819	0.5
503.24225	1.5
504.25476	0.5
505.26254	0.8
519.28302	0.5
535.23865	2.9
536.22864	1.8
545.25659	3.0
547.27148	2.5
549.25098	5.3
550.25677	2.9
563.26263	3.5
564.27301	15.1
591.25958	1.5
594.26270	0.6
595.29028	0.5
605.27795	3.5
606.28528	0.6
608.26245	0.5
623.28638	100.0
624.28912	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	23.7
57.03434	0.8
60.04526	5.3
61.01155	17.2
64.69553	0.9
70.02960	2.8
70.06598	1.1
72.08186	1.1
73.64885	1.0
74.06087	13.7
84.04507	3.8
84.08150	62.3
88.03999	13.3
98.06062	17.5
98.90272	1.0
99.05602	1.0
101.10790	2.9
104.05338	42.9
110.06064	2.6
111.88873	0.9
111.89852	1.0
112.03963	1.3
115.47138	1.0
116.07119	1.9
125.07171	2.1
126.05527	3.4
127.05066	1.0
128.07079	1.1
129.06599	1.7
129.10257	25.5
129.11237	1.2
130.05054	1.7
130.08656	17.7
143.08151	2.3
144.06598	6.0
146.05196	1.6
146.06364	31.6
147.04416	1.1
147.11293	15.9
153.06607	3.5
154.05011	3.7
161.09245	2.5
171.07652	11.4
174.05862	25.5
174.07315	1.4
189.08701	7.9
198.12270	1.4
199.07150	9.8
206.70538	1.1
216.13463	4.8
217.08298	1.1
234.14503	18.1
258.10956	1.2
286.10431	1.4
289.08533	6.4
319.09991	1.0
335.19241	12.0
372.12408	4.2
390.13480	3.7
450.22260	5.0
459.15582	6.7
605.26007	6.2
613.57794	1.3
623.27063	100.0
624.27405	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	1.4
70.68257	1.1
70.68616	0.7
71.71277	0.5
76.06548	0.4
77.22348	0.4
79.05503	1.4
81.07052	1.1
91.05486	0.7
91.17289	0.5
93.07061	0.7
95.08604	0.6
105.07033	0.6
116.55949	0.5
119.08565	0.7
127.53450	0.5
133.10207	0.6
185.07030	0.5
220.81255	0.5
231.38126	0.5
235.12253	0.7
288.99457	0.5
294.82538	0.5
363.16245	0.7
375.16434	0.8
376.17169	0.8
377.17877	1.8
388.17319	1.0
389.18231	0.9
390.18402	1.0
391.19476	3.3
392.20239	1.5
393.20822	1.9
399.16113	1.6
400.17145	1.0
401.17639	2.7
402.18576	0.6
403.15259	0.6
403.19955	0.5
404.20526	1.0
405.16388	0.9
405.20923	1.6
406.21344	0.6
407.22388	2.9
413.17792	1.7
414.18384	1.3
415.19403	4.1
416.20435	1.0
417.16913	0.7
418.17880	0.8
419.18274	2.3
421.20105	1.3
427.19202	1.7
428.20197	1.4
429.21475	2.5
430.21771	1.1
431.18793	2.0
432.19330	0.8
433.16248	1.6
433.21231	1.0
434.17175	0.6
435.21652	2.3
443.22437	2.1
444.19812	2.5
445.20389	1.0
446.21185	1.1
447.17627	3.7
448.19006	1.5
449.19730	0.8
456.19965	0.6
457.20825	0.9
458.21182	1.4
459.18356	2.0
460.18811	0.8
461.19574	2.8
462.20422	2.0
463.20697	2.9
471.22418	5.8
472.18567	1.0
473.18927	2.5
474.20322	3.6
475.16492	0.7
475.21350	2.2
476.18539	1.1
478.19855	0.7
483.22046	0.8
484.19080	0.8
485.20047	2.4
486.20346	2.4
487.21893	0.9
489.18686	2.6
489.23029	4.6
490.19385	4.4
491.20227	3.3
493.22430	0.8
499.21390	11.0
500.18820	1.1
501.23511	4.4
502.20291	1.1
503.20859	4.4
507.23987	1.7
508.24454	0.6
511.20972	0.6
513.19208	4.8
514.20416	0.7
516.21619	0.7
517.22430	16.3
518.22607	1.2
521.22583	0.7
527.20782	1.8
529.22443	6.3
531.20044	2.4
532.21112	0.6
535.23468	3.3
536.24115	1.1
545.21875	26.7
547.23578	0.6
555.20502	1.0
563.22687	3.1
564.23572	2.2
573.21429	7.6
577.24280	3.5
591.22211	4.2
595.25861	1.5
605.23975	46.8
606.24200	1.6
623.25024	100.0
624.25403	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	623.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91088	0.7
55.05505	1.3
67.05511	4.2
69.07066	1.2
69.32124	2.9
69.32544	2.5
79.05479	2.9
81.03423	3.9
81.07065	4.1
83.08624	1.1
91.05484	3.2
93.07061	3.2
95.04978	1.3
95.08592	2.8
97.10175	0.8
98.20708	1.4
105.07013	2.5
107.04903	1.0
107.08589	2.2
109.10137	1.7
115.05375	0.6
117.06991	1.7
119.08550	3.1
120.08069	0.9
121.06543	0.8
121.10107	1.9
129.07033	1.0
131.08559	1.2
133.10107	2.4
139.70764	0.6
144.08002	1.0
145.10121	1.0
159.11716	1.1
160.05180	0.8
161.05989	0.8
175.14819	1.1
177.09099	0.7
195.09213	1.2
196.09984	0.9
197.10809	0.9
209.10701	1.1
221.10664	1.2
223.12199	1.0
235.12294	1.1
237.13818	0.9
239.11690	0.8
247.12274	0.7
249.10275	1.1
289.18289	0.8
363.15961	0.7
374.16412	0.9
375.16586	1.6
377.17847	4.4
378.18207	1.7
385.14514	0.8
386.15677	1.5
387.15994	1.9
388.17737	1.4
389.17758	3.1
390.18304	2.0
391.19385	4.8
392.19855	2.4
393.20636	2.9
397.34521	0.7
398.15384	1.2
399.15820	2.6
400.16846	2.5
401.17758	6.2
402.18680	3.1
403.19522	4.3
404.15448	1.0
404.20007	2.2
405.16800	2.4
405.20792	3.0
406.21561	1.4
407.22351	6.9
412.17719	0.8
413.17477	2.8
414.18216	2.9
415.19418	8.5
416.20529	3.9
417.21420	5.9
418.21457	2.4
419.18124	3.8
419.22650	2.2
421.20047	2.3
427.19125	3.0
428.20334	3.9
429.21652	6.4
430.22031	4.4
431.18097	2.7
431.22318	3.2
433.16266	2.5
433.24734	4.7
435.21875	3.6
441.16937	1.6
442.17566	1.0
443.17392	1.9
443.22299	5.1
444.18808	4.3
445.19763	2.6
445.24280	2.6
446.20865	1.0
447.17310	5.9
448.18909	2.9
449.18790	1.2
449.23917	1.0
455.18442	1.3
456.19635	1.1
457.20166	3.2
458.21082	2.9
459.16855	1.1
459.22144	2.2
460.22586	2.3
461.19244	4.9
462.20294	5.5
463.20447	5.1
471.22366	9.4
472.22513	2.5
473.18875	3.1
473.23450	3.8
474.19720	3.4
475.22052	8.6
477.23264	12.7
484.18970	1.7
485.19522	4.6
486.20380	4.2
487.25641	3.6
489.23749	9.2
490.19171	6.4
491.19885	2.1
491.24216	2.8
499.21307	19.4
500.18613	2.4
501.23389	6.4
503.20322	6.0
505.25629	2.1
506.19659	0.9
506.26489	1.8
507.24048	3.1
508.23889	1.1
511.21014	0.8
513.19031	2.1
514.19946	2.0
515.24384	1.2
516.21381	1.1
517.22192	13.1
518.22437	2.9
519.27478	2.9
521.21796	1.2
523.25806	0.8
527.20331	3.3
529.22437	11.3
531.19800	1.5
532.24805	0.9
535.23334	7.2
536.23865	0.9
545.21680	52.3
546.21704	1.4
547.27216	12.4
549.25116	10.8
550.18042	1.3
550.25751	16.0
555.19910	2.7
563.22711	5.9
564.23535	2.5
573.21417	19.6
577.27917	1.0
579.29926	8.8
591.26251	9.2
595.25543	2.0
605.23840	94.6
606.23883	2.9
623.25195	100.0
624.25140	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	622.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.6
55.01875	1.7
55.05504	2.1
60.77311	0.6
67.04237	1.7
67.05517	4.6
68.05016	1.0
69.03428	2.3
69.07075	3.2
70.06588	2.0
71.04984	1.1
74.93506	0.6
79.05511	6.0
80.05022	5.7
80.20623	0.7
81.03410	1.9
81.07063	21.0
82.06588	29.4
83.08631	1.9
84.08125	0.9
85.02920	3.2
91.05479	6.0
93.07060	3.2
94.06581	34.7
95.02244	0.7
95.04993	6.2
95.07373	1.1
95.08617	6.3
96.08119	1.4
97.02892	0.9
97.06512	1.5
97.10166	2.0
99.04465	0.7
105.07070	1.3
107.04965	2.7
107.08601	1.6
108.07433	1.4
108.08128	18.2
109.02889	0.8
109.06517	1.7
109.10163	3.9
111.11732	1.2
119.04964	1.8
119.08615	1.2
121.10168	1.0
123.11684	1.2
124.07604	14.6
125.06012	0.9
126.09201	0.8
133.10181	1.1
136.07590	14.9
137.06012	5.4
142.08649	39.7
154.08649	100.0
155.07072	1.5
159.11551	0.7
172.09706	9.6
176.09233	1.3
184.07329	0.8
185.03217	0.7
207.21100	1.4
225.22153	2.5
226.85263	0.8
269.82349	0.7
270.24326	11.8
288.25388	2.0
358.84775	0.7
366.30173	1.0
394.29724	1.6
406.29727	1.9
412.30542	7.9
424.30664	12.0
442.31708	75.0
443.31921	1.2
443.37711	0.7
494.49152	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.4
53.03949	5.3
55.01867	3.6
55.05512	9.1
56.05024	1.3
57.03434	1.9
57.07063	1.4
57.58465	0.8
60.04504	1.8
65.03922	3.3
67.05508	22.3
68.05043	3.9
69.03094	0.7
69.03436	9.8
69.07076	6.2
70.06567	3.1
70.88125	1.3
71.04977	2.9
73.02876	1.7
77.03912	2.0
79.05497	22.9
80.04999	2.7
81.03423	18.7
81.07062	55.1
82.06574	2.1
82.40557	0.7
83.04979	3.5
83.08616	2.3
84.04506	7.5
84.08119	1.2
85.02913	6.9
86.06064	1.4
86.09689	1.0
87.04411	0.9
89.94195	0.6
91.04908	0.9
91.05485	24.2
93.07050	56.6
94.06034	1.0
94.06577	10.7
95.04977	26.0
95.08611	30.0
96.04515	4.8
97.02905	6.4
97.06505	2.7
97.10153	1.7
98.06059	4.4
99.04450	2.7
103.05447	2.6
105.04502	1.6
105.07037	40.3
107.08601	34.9
109.02901	6.1
109.06518	3.6
109.09467	1.3
109.10163	16.4
110.06058	5.4
111.04433	3.2
111.08054	2.2
112.03976	41.5
112.07609	5.6
114.05540	15.7
115.03924	1.1
115.05454	1.3
117.07024	6.5
119.04842	1.0
119.08589	41.8
120.08113	0.8
121.06544	4.8
121.10151	45.5
122.06046	11.1
123.03586	1.6
123.04436	24.4
123.08090	5.0
123.11729	6.3
124.04726	0.7
125.09644	1.3
126.05503	3.0
127.03911	2.6
128.06189	1.5
129.06995	3.0
130.07762	1.2
131.07716	1.1
131.08580	10.9
133.06560	1.1
133.07614	0.9
133.10133	19.4
135.07068	0.7
135.08041	4.8
135.11702	13.0
136.07571	0.9
137.09605	2.8
137.13281	1.1
138.05513	0.9
140.07072	70.8
141.05482	4.5
141.07054	0.9
142.07738	1.2
142.08702	1.1
143.08577	6.1
143.44844	0.8
144.09331	1.1
145.04855	1.1
145.09058	1.4
145.10135	19.5
147.07991	2.2
147.11687	13.7
149.09647	5.9
149.13264	11.7
151.11198	1.2
155.08537	2.5
156.09320	0.9
157.10141	7.9
158.08134	52.2
159.08153	1.3
159.11703	16.1
161.09639	2.4
161.13275	10.8
163.11102	1.6
163.14854	7.1
164.07108	2.2
165.12787	0.8
169.10158	4.9
171.11684	5.0
173.09590	1.5
173.13287	8.2
174.07634	0.9
175.11195	3.7
175.14862	4.4
176.09189	100.0
177.12729	1.5
177.16341	1.1
181.10121	1.8
183.11697	2.7
185.13225	3.7
187.14798	6.5
187.16115	0.7
189.12741	3.0
189.16389	5.4
191.14394	1.9
195.11658	1.8
197.13332	3.5
199.14775	2.5
201.16408	3.9
203.14297	1.5
203.18005	1.8
205.15813	1.2
206.08157	0.8
209.13306	1.7
211.14810	3.9
213.12813	0.8
213.16405	2.1
215.14432	1.2
215.17961	1.5
217.15871	1.0
218.10287	3.1
222.07686	1.3
225.16472	1.4
227.17960	2.8
229.16002	1.0
229.19524	2.5
230.08176	1.1
237.16164	1.0
238.10875	0.9
239.17862	1.0
241.19460	1.2
248.09209	2.9
255.21051	1.0
257.22675	4.9
266.10269	8.9
267.21191	4.8
283.20731	1.7
284.11325	1.2
285.22211	6.8
293.13815	0.8
299.14890	1.3
324.00171	0.9
327.23456	0.8
331.19482	0.8
393.24048	1.1
411.25305	2.3
429.26367	4.4
447.27393	5.6
568.32379	1.9
586.33728	2.5
600.90607	0.8
604.34668	8.6
622.35852	39.7
623.35638	1.1
642.44183	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23022	0.8
59.05006	0.9
61.56434	0.7
70.08524	3.0
78.23384	0.7
118.06547	0.8
120.08059	1.0
192.64308	0.8
195.09293	1.2
197.10838	0.8
199.30064	0.8
207.09262	1.2
221.10912	1.0
223.08591	0.7
225.13933	1.3
249.10265	1.4
253.13394	1.2
311.10693	0.9
311.14056	1.1
314.13016	1.0
316.11005	1.6
326.13110	1.0
331.48026	0.8
338.12692	1.3
340.14474	1.1
351.17407	0.8
375.16434	1.3
389.17786	2.1
390.19110	1.5
401.14597	1.1
403.15479	2.9
403.19928	1.8
405.21170	2.0
417.17136	3.0
418.17896	2.8
419.18436	1.9
420.23486	0.9
431.14194	1.5
431.18991	2.6
432.19522	1.3
433.20758	3.8
445.16885	3.3
446.16910	4.7
447.18124	6.6
447.22531	4.1
448.18259	1.3
449.23163	1.1
459.18048	2.4
460.18982	3.1
461.19717	8.3
462.20465	3.2
474.20490	1.1
475.21307	20.1
476.22064	7.8
477.23315	6.2
489.22736	2.9
503.20715	4.4
504.21057	1.0
519.24054	1.6
521.22015	1.2
533.25293	0.9
534.26044	2.5
535.23212	15.9
536.24243	2.7
545.24866	1.1
547.23816	3.4
548.23773	1.1
549.25061	3.2
561.24573	0.9
562.25562	13.6
563.26544	16.6
564.27045	1.1
566.28845	1.0
575.23029	1.9
579.26331	2.2
590.25134	7.1
591.26080	1.6
593.23999	4.1
594.28516	5.3
605.27686	1.6
607.25769	4.8
622.27863	100.0
623.28784	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.271
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
66.03141	0.3
66.15746	0.2
69.25294	1.1
69.25719	1.3
69.84727	0.3
79.05462	0.4
85.94733	0.3
87.95096	0.2
90.33961	0.2
98.21612	0.3
108.17011	0.2
128.72108	0.3
131.43358	0.3
141.32378	0.3
180.47185	0.3
195.09137	0.3
206.30374	0.3
207.09085	0.3
222.11552	0.3
233.10696	0.4
255.79008	0.3
286.13422	0.3
311.14111	0.3
312.15002	0.4
340.14554	0.3
373.14618	0.5
374.15445	0.6
375.16174	0.9
387.16159	0.6
388.16840	1.3
389.17645	3.3
390.18463	1.2
391.19339	0.7
401.17691	1.0
402.18628	1.2
403.19452	4.9
404.20215	2.4
405.20844	3.0
415.19272	0.9
416.15387	1.3
416.20547	0.8
417.17053	3.3
417.21017	2.9
418.17685	1.2
418.21896	0.9
419.22366	8.0
420.23199	0.6
427.19391	0.4
429.16650	0.5
429.21594	0.4
430.17935	1.1
431.18066	7.5
431.23608	0.8
432.19226	3.4
433.20068	3.0
443.18719	0.5
444.19382	0.6
445.20096	6.5
446.20935	6.6
447.21750	10.1
448.22202	0.5
457.20602	0.4
459.17276	0.9
459.21918	2.4
460.18402	0.6
461.19376	1.8
463.21265	0.4
473.19580	1.4
473.23914	1.2
474.20438	6.9
475.21255	8.9
476.22211	0.5
478.23843	0.5
487.21475	3.2
488.22192	0.6
489.22955	0.4
491.21042	1.2
501.22845	1.7
502.23895	0.5
505.25867	1.8
518.23383	0.7
519.22339	0.4
529.22229	0.5
533.25513	16.2
534.25879	0.5
536.94971	0.3
546.22998	0.4
561.24976	22.9
562.25317	1.0
565.28076	0.4
589.24146	1.4
593.27557	3.8
621.27075	100.0
622.27460	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	621.271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44375	0.2
59.04955	0.3
61.32991	0.3
64.04343	0.3
69.25784	2.7
75.66365	0.2
78.99080	0.3
79.68255	0.3
91.03001	0.2
91.05439	0.5
95.09795	0.3
105.60181	0.2
107.16904	0.2
111.98822	0.3
165.84828	0.3
183.09181	0.4
195.09125	0.4
196.09906	0.4
197.10727	0.3
209.10690	0.8
220.09862	0.5
221.10718	0.6
222.11592	0.3
225.13625	0.4
234.11462	0.3
235.08571	0.5
237.13965	0.3
249.10170	0.6
249.14017	0.4
266.46671	0.3
273.13593	0.3
301.94629	0.3
310.13525	0.3
321.13733	0.4
326.12994	0.3
328.14404	0.4
334.13251	0.3
372.14398	0.6
373.14514	0.5
374.15756	0.6
375.16092	1.0
385.16309	0.3
386.16357	0.5
387.16254	0.8
388.16922	1.5
389.17642	4.0
390.18634	1.8
391.19525	0.4
400.17798	0.3
401.17761	2.1
402.13824	0.5
402.18933	1.8
403.19470	6.5
404.20291	2.9
405.20633	2.2
415.14978	0.8
415.19232	0.9
416.15472	2.0
416.20560	0.8
417.16898	4.0
417.20926	4.3
418.17111	0.6
418.21628	1.3
419.22424	9.6
420.22696	0.6
429.16977	1.0
429.21600	0.4
430.16949	1.5
430.22211	0.8
431.18127	8.6
432.19128	2.7
433.20276	1.9
443.18839	1.6
444.19556	0.9
445.20224	8.1
446.21072	7.0
447.21817	11.5
448.22421	0.8
457.20441	0.8
458.21005	1.0
459.17197	1.5
459.21844	3.8
460.18265	0.8
460.23404	0.5
461.19717	1.2
471.18369	0.4
473.19452	1.7
473.24249	1.0
474.20392	11.2
475.21317	15.9
476.21439	0.6
477.22751	0.6
487.21411	4.5
488.22308	1.6
489.22891	0.5
490.23920	0.5
491.20770	1.0
501.23038	2.7
502.23691	0.8
503.20819	0.5
505.26819	1.3
515.21216	0.4
517.22137	0.7
518.23206	0.8
519.24030	0.7
529.22083	1.4
531.19885	0.6
533.25543	11.2
534.25317	0.5
546.22937	1.1
547.23639	0.5
561.24994	89.3
562.25348	3.8
589.24469	3.2
593.27740	3.9
621.27094	100.0
622.27545	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	621.2706
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
51.76132	0.4
67.46754	0.4
146.23393	0.4
160.59715	0.4
172.03938	0.5
233.98433	0.5
374.15125	0.6
375.16061	1.1
376.17252	0.7
387.16266	0.9
388.17072	1.3
389.17694	2.7
390.18430	1.1
391.19180	1.1
401.17941	1.5
402.18600	1.5
403.14746	0.6
403.19604	5.5
404.20126	3.1
405.20801	3.3
415.14896	0.7
415.19934	0.5
416.16467	1.7
417.17072	4.0
417.21078	3.2
418.17728	1.4
418.22394	1.0
419.22360	7.1
420.22986	0.9
430.18076	1.6
430.85519	0.5
431.18280	8.2
431.24011	0.5
432.18942	2.8
433.20303	3.6
443.18961	0.6
445.20331	5.9
446.21198	8.0
447.21875	10.6
459.21964	2.3
461.19913	1.9
473.19684	1.5
474.20407	6.3
475.21362	7.8
487.21329	2.5
488.22025	0.8
491.20007	0.7
501.22986	2.0
505.22745	0.4
505.26517	0.8
518.22943	0.5
519.19928	0.9
529.22528	0.6
533.25568	14.4
534.25323	1.0
546.22931	0.6
561.25037	22.3
562.25690	0.5
589.24341	1.5
593.27551	4.5
621.27136	100.0
622.27460	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	618.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.9
54.53881	2.4
55.05516	17.0
57.03439	12.7
57.07081	4.2
61.02920	9.2
65.03938	3.9
67.05513	44.1
69.03436	13.5
69.07084	23.7
70.06597	18.1
70.56348	2.4
71.49762	3.2
72.08153	4.3
73.02927	36.1
76.45808	2.5
79.05502	30.6
81.07064	100.0
83.04992	3.8
83.08630	11.2
84.08145	6.3
84.14980	2.5
85.02911	19.0
86.09709	8.1
91.05489	27.0
93.07050	63.4
95.04992	7.0
95.08616	81.4
97.02888	22.5
97.06540	2.7
97.10171	7.1
105.04578	3.0
105.07035	61.9
107.08601	71.3
109.10163	65.8
115.03937	8.5
117.07021	5.9
119.08590	68.9
121.10159	62.6
123.08038	5.1
123.11721	19.6
127.03938	5.3
129.10124	3.5
131.08592	17.2
133.10138	26.2
135.11694	30.1
137.13295	3.4
139.11192	2.5
145.04980	5.4
145.10139	24.2
147.11702	39.0
149.02345	31.0
149.13297	34.9
157.10129	3.8
159.11713	33.4
161.13266	40.0
163.14842	29.8
169.10115	3.6
171.49124	2.8
173.13295	14.1
175.14842	24.7
177.16418	10.9
184.07368	3.5
187.14874	12.2
189.16415	10.9
191.17923	4.1
193.04984	43.9
195.11584	2.8
201.16376	16.2
203.17961	8.7
213.16499	3.3
215.18005	31.8
217.15768	3.5
221.15453	2.8
229.19682	3.4
231.21190	4.4
237.07602	12.1
271.24274	42.0
289.25348	8.7
297.03897	3.7
341.06570	11.1
359.07599	3.7
385.09213	14.1
429.11844	55.3
462.26511	3.1
463.13358	2.9
618.29913	15.4
618.39893	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	617.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	11.8
55.01873	4.0
55.05506	24.2
57.03437	6.6
57.07069	15.0
59.04992	8.1
61.02921	7.6
65.03940	8.3
67.05510	37.0
69.03437	20.6
69.07072	28.8
71.04997	6.4
71.50571	5.8
72.08153	6.2
78.47546	3.5
79.05504	49.9
81.03437	7.7
81.07063	77.0
83.05005	22.1
83.08614	15.1
85.02901	7.3
85.06544	8.9
89.41132	3.4
91.03947	4.1
91.05490	65.3
93.07047	88.8
95.04974	44.8
95.08614	47.2
97.02869	11.6
97.06534	21.3
103.05473	7.5
105.07039	100.0
105.44061	3.3
107.01335	7.0
107.04960	10.6
107.08605	66.4
109.06544	27.7
109.10167	38.5
111.04479	4.0
111.08059	7.0
111.11697	4.6
113.09630	4.8
115.05441	9.0
117.07024	26.4
119.08593	94.6
121.02871	11.7
121.06495	26.8
121.09332	6.3
121.10152	84.0
123.08071	36.9
123.11704	12.1
125.02343	4.0
125.06023	19.2
125.09639	11.6
128.06194	12.1
129.07025	18.5
130.07797	7.8
131.08585	45.8
133.06464	10.6
133.10147	52.6
135.08090	18.8
135.11703	22.9
137.05893	5.3
137.09619	5.1
139.11179	8.1
141.06985	15.6
142.07819	18.9
143.08562	42.4
144.09334	8.6
145.10121	75.6
147.08038	13.8
147.11726	30.1
149.05975	26.5
149.09639	22.2
149.13295	8.7
151.07555	15.7
151.11151	4.1
153.07034	6.0
154.07742	4.0
155.08513	14.4
155.10625	4.5
156.09315	17.3
157.10147	52.1
158.10913	9.8
159.08054	22.2
159.11711	36.8
161.09587	17.1
161.13275	13.3
163.11220	30.6
163.14847	4.9
165.06943	8.1
165.09120	10.1
166.07672	4.4
167.07048	30.3
167.08392	7.7
167.10678	69.7
168.09467	8.4
169.10106	24.7
170.10890	4.0
171.08098	5.1
171.11711	28.5
173.09613	9.0
173.13277	27.3
175.11143	7.0
175.14825	12.8
177.12845	4.1
179.08562	9.5
179.14455	4.1
180.09392	4.1
181.10236	18.2
181.12201	21.1
182.10962	8.6
183.11679	23.3
185.08136	14.2
185.09619	5.7
185.13269	14.0
187.11194	7.6
187.14857	8.7
189.12743	14.2
191.14325	8.9
193.10156	11.8
194.10913	4.8
195.11755	17.1
196.12462	6.6
197.13316	20.2
198.13965	4.9
199.11154	5.5
199.14902	7.5
201.12830	5.8
201.16389	5.6
203.14333	8.1
205.15778	4.0
206.10893	5.8
207.11687	17.5
207.13852	14.3
208.12505	5.4
209.13287	16.7
209.15279	5.5
210.51749	3.8
211.11220	6.6
211.14774	11.2
213.12738	6.4
215.14339	8.1
215.17963	6.9
217.15822	4.1
220.12415	4.5
221.13245	10.2
221.15407	23.6
222.13916	4.3
223.14819	12.1
225.12711	6.3
225.16333	5.7
227.14224	5.1
231.11708	5.0
231.13756	4.5
232.12361	5.2
233.13420	5.4
233.15413	29.1
235.14847	7.5
235.16942	5.5
237.16447	7.2
247.14828	4.8
249.16510	4.1
251.17911	5.7
253.15698	4.0
259.14542	4.9
263.18021	4.6
269.18884	5.7
271.24173	23.1
286.19293	4.3
293.22867	3.9
295.20679	3.7
299.20184	4.8
380.27448	4.7
395.25723	4.4
417.28027	4.5
581.39661	5.4
599.41284	20.9
617.32947	3.8
617.42157	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.5
53.31380	2.4
55.01871	3.7
55.05510	25.1
56.96330	2.7
56.96572	21.0
57.07090	12.8
59.04999	6.4
63.45559	2.5
65.03942	4.7
67.05506	36.8
69.03428	20.1
69.07082	13.9
71.05001	4.5
79.05493	37.8
80.82749	3.0
81.07058	47.5
83.05005	15.9
83.08629	9.2
84.96041	19.6
85.02865	2.5
85.06565	7.9
91.05481	53.0
93.07048	66.2
95.04978	26.8
95.08617	38.6
97.06535	16.2
98.97567	17.6
99.08064	2.9
105.07032	79.1
107.04969	3.6
107.08601	49.6
109.06499	21.1
109.10156	26.4
110.97614	5.8
111.08081	4.9
115.05456	7.4
116.06255	4.3
116.98631	8.4
117.07036	15.3
119.08588	72.2
119.96893	2.9
121.06520	13.9
121.10150	52.5
121.78490	2.9
123.08067	49.3
123.11724	9.4
124.99174	11.2
125.05201	3.0
125.05967	17.0
125.09666	5.4
128.06236	5.9
128.18156	2.6
128.98631	2.9
129.07016	18.9
130.07870	7.5
131.00195	3.7
131.08568	42.6
133.06483	7.6
133.09152	4.2
133.10126	48.1
135.08043	21.6
135.11687	17.8
137.05940	2.9
137.09619	14.8
139.11229	3.6
140.98628	4.2
141.06985	5.0
142.07773	15.5
143.00186	16.5
143.08571	29.9
144.09334	8.7
144.98122	4.5
145.06541	3.4
145.10138	58.1
146.99693	3.1
147.08051	26.3
147.11714	18.0
149.01250	4.7
149.09645	17.4
149.13245	4.3
151.07550	63.0
151.11253	3.4
153.06927	3.4
155.00139	3.7
155.07416	2.7
155.08517	13.8
155.10707	3.0
156.09377	12.4
157.10149	33.4
158.10915	6.6
158.99731	3.0
159.08098	10.2
159.11671	32.2
161.01270	7.9
161.09628	19.7
161.13287	8.8
162.99271	5.3
163.11185	24.7
165.07033	5.8
165.09111	34.3
167.08592	9.7
167.10664	13.3
168.09312	3.7
169.10121	20.3
170.10881	4.7
171.11699	22.3
173.01219	4.3
173.09653	9.7
173.13199	15.9
175.11226	11.1
175.14964	6.8
177.09064	4.2
177.12688	5.2
179.08646	5.1
179.10695	5.3
180.09332	4.2
180.94870	3.2
181.10173	8.7
181.12228	25.4
182.10890	5.5
182.99725	5.7
183.11678	18.6
185.09723	3.6
185.13222	13.4
187.11266	8.0
187.14861	10.2
188.11591	2.6
189.09241	3.1
189.12730	21.7
191.14340	11.1
193.10207	9.8
194.11006	6.4
195.11766	8.6
195.13786	2.8
196.12508	4.3
197.13245	15.4
199.11214	6.8
199.14899	8.9
201.00735	4.0
201.12856	7.5
203.14348	22.3
207.11745	11.5
207.13873	34.2
208.12350	3.9
209.13307	15.7
209.15387	6.7
211.11201	3.2
211.14832	12.1
213.12788	5.0
213.16414	3.1
215.14384	5.5
219.01805	3.0
221.13281	6.4
221.15356	89.2
223.14905	7.6
225.16316	5.6
227.14403	3.9
229.15981	5.7
232.12367	3.6
233.13319	4.6
233.15451	12.2
235.14853	7.3
237.16548	3.8
239.14310	3.1
240.97020	3.4
243.13950	4.1
246.95801	3.6
247.14801	3.0
247.17036	8.0
251.14354	3.8
264.97000	9.7
265.15976	3.2
271.17072	5.5
282.97934	25.1
285.18634	3.3
286.19324	14.8
287.20193	10.1
287.98669	3.4
299.20135	8.2
300.20978	4.4
300.99133	9.8
312.20502	3.9
313.21689	8.9
317.17935	26.0
335.19055	8.3
365.24890	4.5
375.02728	3.9
383.25958	4.0
391.26242	4.0
419.29337	4.7
581.39716	8.1
599.41010	28.5
617.23096	100.0
617.41907	98.8
618.23267	7.1
618.42432	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	617.369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	3.1
53.03949	11.5
55.01871	4.6
55.05514	16.4
57.03449	3.1
57.07077	8.8
59.04977	3.8
61.02927	6.2
62.98549	2.6
65.03952	5.6
66.70924	3.5
67.05504	25.1
69.03440	14.2
69.07075	20.5
69.46094	20.9
70.06577	4.5
71.04977	3.2
72.08164	5.2
73.02905	4.7
77.03887	3.1
79.05499	28.0
81.03419	8.8
81.07064	79.3
83.05000	5.9
83.08620	12.4
84.08167	3.3
85.02891	9.7
85.06538	5.7
86.09681	3.9
87.41912	2.5
89.06019	3.2
91.03967	2.9
91.05486	44.0
93.07048	70.2
95.04976	56.7
95.08609	47.2
97.02897	23.0
97.06532	7.5
97.10188	6.1
99.04498	2.8
103.05477	8.4
105.04527	4.9
105.07032	68.7
107.01305	12.6
107.04964	12.7
107.08595	46.8
109.02917	4.7
109.06519	8.6
109.10164	32.9
113.09647	3.0
117.07030	11.9
119.08598	50.3
121.02884	30.1
121.06506	38.3
121.10153	38.7
123.08082	36.4
123.11738	17.0
125.02299	13.6
125.05984	4.8
125.09689	3.4
127.03913	8.2
128.06273	3.7
129.07010	4.8
131.08566	20.2
133.06552	4.8
133.10144	34.9
135.08087	6.7
135.11714	20.5
137.09631	8.4
137.13280	5.2
139.11102	3.7
141.06932	2.8
142.07800	6.5
143.08569	16.6
144.09343	3.6
145.10133	38.7
147.08078	7.8
147.11699	26.6
149.05991	77.3
149.09653	5.5
149.13260	23.6
151.07544	7.0
155.08586	6.6
156.09308	4.2
157.10152	17.5
159.08057	7.7
159.11720	30.4
161.09680	5.7
161.13263	17.7
163.11180	8.1
163.14815	8.6
165.09082	4.0
167.07065	100.0
167.08446	3.5
167.10693	16.0
168.09262	2.9
168.10997	3.3
169.10135	8.8
171.11693	11.1
173.09660	4.2
173.13234	20.3
175.11224	5.5
175.14832	15.3
177.16399	7.8
181.10130	5.5
181.12206	7.7
183.11699	8.4
185.08115	37.2
185.09663	5.4
185.13315	7.0
187.11189	3.6
187.14871	14.3
189.16431	12.8
191.14317	4.6
193.10101	3.5
197.13287	8.1
199.14795	6.7
201.16396	13.7
203.14346	4.4
203.18039	5.9
207.11740	5.0
207.13719	5.9
211.14935	3.7
213.12985	3.4
213.16327	5.8
215.14377	3.1
215.17865	12.6
221.13406	4.4
221.15390	8.8
223.14732	5.1
225.16418	7.1
227.17915	3.3
229.19476	5.9
231.21091	10.9
233.15335	7.4
241.19521	3.5
247.14511	3.5
257.18915	2.9
259.96878	2.6
269.22632	6.8
271.24203	68.9
273.25815	5.0
281.18982	3.7
289.25217	7.5
293.10071	3.2
311.11356	6.2
315.98788	2.9
379.26291	4.9
381.68253	2.7
550.47180	2.8
599.40137	9.0
617.32672	3.8
617.41901	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01864	2.0
55.05517	28.1
56.01392	2.5
65.62238	0.7
67.05515	1.1
68.26852	0.7
69.03418	2.2
69.67272	4.5
70.06598	14.4
72.08162	39.4
77.03963	0.8
79.05518	1.4
83.04991	3.0
84.04491	1.9
84.08149	4.5
85.02917	1.4
86.09714	3.9
89.03924	3.0
89.10806	1.1
91.05481	3.7
93.03397	1.1
93.07038	1.9
95.04958	1.4
95.06104	1.1
98.06063	100.0
98.20815	1.6
99.09223	3.1
103.05482	3.0
105.03385	2.2
107.04954	2.6
109.06522	1.1
111.04458	1.4
115.08701	76.2
117.03391	3.1
119.04932	1.8
120.08092	1.1
121.06544	5.7
127.08715	1.3
129.10245	1.3
131.04898	4.3
133.02863	19.0
135.04437	11.7
135.06638	0.8
136.06204	2.6
137.05981	22.3
139.03920	1.1
145.02859	7.5
147.04439	3.3
149.05997	16.2
150.06772	46.5
151.03912	4.3
151.07555	2.5
159.04425	8.9
161.02357	4.5
161.05913	1.0
162.07761	4.2
163.02718	0.8
163.03870	4.4
164.04698	1.3
165.05469	2.1
165.07890	1.0
166.06273	2.2
173.02347	1.6
176.04716	1.7
177.05475	19.6
187.03920	45.6
191.03416	4.4
192.06543	2.4
195.08047	0.9
205.06456	2.1
207.13054	0.8
223.07710	2.1
233.06009	4.3
237.09111	1.1
246.11305	2.4
248.12817	3.8
249.05562	1.3
250.06326	3.2
251.07150	1.7
261.05466	1.4
263.13980	4.8
264.14734	3.0
265.08691	2.6
265.15527	3.6
266.05664	0.9
267.06448	1.2
275.10406	1.8
278.05838	2.7
279.06549	2.3
281.08163	1.3
283.09790	2.7
293.08118	9.1
301.11908	4.2
309.07593	3.6
311.09146	75.7
312.09500	1.6
337.06909	6.4
355.08206	1.0
365.08432	1.0
397.17313	1.3
407.15842	1.3
408.14432	2.2
413.94702	1.0
425.17087	66.8
426.17252	1.8
437.11987	0.8
443.18118	4.4
454.23010	0.8
455.22937	1.6
571.22931	1.6
599.22607	15.6
600.20721	5.3
617.23364	71.1
618.23669	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	617.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
53.37343	0.6
55.01863	1.7
55.05514	27.7
56.01390	2.7
56.26054	0.8
56.82493	0.6
65.03962	0.9
67.05510	1.7
69.03431	2.0
70.06595	12.4
70.17072	3.4
72.08158	37.9
77.03944	1.5
79.05488	1.0
83.04991	4.0
84.08149	2.0
86.09710	3.3
89.03924	3.0
89.10814	2.1
91.05498	3.5
93.07052	2.2
95.04958	2.6
95.67487	0.7
98.06062	100.0
99.09215	2.9
103.05473	3.9
105.03413	2.0
105.04526	0.8
107.04960	3.0
107.70062	0.8
110.03658	0.7
111.04455	1.6
115.08701	93.0
117.03381	4.5
119.04954	1.8
121.06527	5.9
122.03683	1.1
127.08694	1.8
131.04936	4.2
133.02863	23.9
134.03665	1.6
135.04416	13.6
136.05237	0.8
137.05981	21.3
145.02864	11.1
147.04416	4.4
149.05992	17.2
150.06767	47.4
151.03923	4.5
151.07532	2.0
159.04443	8.2
161.02365	6.8
161.06021	1.7
163.03941	5.5
164.04591	1.1
165.05515	2.5
165.07971	0.8
166.06244	2.0
166.97626	0.8
173.02376	2.4
175.03905	2.0
176.04700	3.0
176.07051	1.0
177.05486	21.0
178.04893	1.1
181.37872	0.7
187.03922	43.3
191.03462	3.5
192.06523	1.2
205.06572	2.7
221.06030	1.1
222.06770	1.4
223.07394	1.6
227.07199	0.9
227.15726	0.8
233.05969	4.6
236.12962	1.0
237.09225	2.1
246.11293	1.7
248.12889	4.6
249.05545	1.5
250.06190	3.7
251.06958	1.7
261.05499	1.3
263.13992	7.0
264.14655	4.2
265.08658	2.9
265.15475	7.2
266.05750	1.1
267.06430	1.2
272.44284	1.0
275.10400	1.2
278.05856	1.8
279.06500	1.8
281.08136	1.4
283.09689	2.4
293.08133	7.3
301.11871	6.3
309.07660	2.8
311.09155	85.6
312.09549	0.9
317.50882	0.8
337.07083	5.7
372.96704	0.8
407.15894	1.5
408.14590	2.2
425.17087	65.3
443.18137	2.5
455.22726	0.8
518.18787	0.8
571.22900	1.2
599.22516	10.8
600.20917	2.8
617.23395	49.3
618.24463	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16288	0.6
53.03925	1.0
55.01852	0.8
55.05522	3.3
55.56291	0.6
64.26125	0.6
65.03914	2.3
66.37266	0.5
67.05518	3.4
69.03408	1.6
70.06591	3.1
70.79383	0.8
70.79730	1.3
72.08162	23.1
73.41299	0.6
83.04987	9.6
84.04495	0.6
84.08105	2.0
85.02867	2.6
86.09679	1.5
89.10754	2.7
93.03381	1.6
93.95997	0.7
95.04984	0.8
97.02890	0.7
98.06055	5.1
102.37081	0.6
111.04438	5.2
115.05443	0.8
115.08694	3.4
123.04397	1.0
129.05479	0.9
129.10197	1.1
137.05951	1.2
139.03845	0.6
142.08501	0.6
143.04897	1.6
147.04344	1.1
147.07770	0.6
151.03934	4.5
152.07065	0.9
158.17282	0.6
161.05997	4.0
173.05861	0.7
177.05528	0.8
177.06978	2.1
181.06459	1.4
187.03802	1.3
189.05486	10.2
189.07060	1.3
195.08046	2.3
203.03334	1.4
205.06485	6.5
206.11848	1.4
210.06743	1.1
211.07579	0.9
219.08020	3.0
220.05144	2.0
221.06039	4.4
222.06761	2.5
223.07542	11.4
223.14407	1.9
233.06036	3.7
234.06715	2.2
235.07562	2.5
237.05470	1.1
237.09067	1.7
238.06221	3.6
247.07547	3.6
249.05504	9.3
249.92052	0.6
250.06262	10.8
251.07060	19.8
252.07698	0.6
253.04968	1.5
258.18509	0.6
261.05377	0.7
263.06927	3.4
265.05331	1.4
265.08606	10.3
266.05753	23.3
267.06357	1.5
268.07346	1.8
269.08179	0.8
277.02200	0.4
277.04938	11.5
278.05731	11.5
279.06564	18.5
280.07260	0.6
281.08151	3.1
283.09647	2.1
291.06525	1.3
293.04953	0.6
293.08063	16.8
294.05246	56.8
295.05902	1.5
296.06775	1.9
305.04495	0.8
309.07587	86.6
311.09152	89.6
312.09036	2.9
319.05884	1.2
321.59323	0.7
322.04733	2.4
337.07074	94.4
338.07419	2.2
355.08188	8.4
378.82767	0.6
383.16058	7.0
407.16760	0.6
408.14563	1.1
425.17114	12.7
443.18393	1.3
520.84351	0.8
529.13428	3.8
571.22833	3.7
599.22430	4.6
600.20929	6.9
617.23438	100.0
618.23462	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	617.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02352	0.7
53.03927	1.7
55.01857	1.8
55.05513	20.5
56.01379	1.9
56.05023	0.9
61.29824	0.6
65.03917	1.1
69.03415	1.4
69.05801	0.7
70.06596	13.3
72.08159	29.9
77.03914	1.5
79.05460	1.3
83.04960	2.0
84.04484	1.3
84.08125	3.3
86.09711	3.0
89.03928	3.3
89.10761	1.9
91.05485	5.1
93.07043	3.3
95.04950	1.8
98.06056	74.8
99.09222	3.2
103.05462	4.1
105.03385	1.9
107.04974	4.1
109.06492	0.9
111.04385	0.6
115.08694	67.9
117.03376	4.9
119.04919	2.0
120.08110	1.2
120.62267	0.6
121.06512	6.5
122.03625	0.9
123.04415	0.7
127.03817	0.6
127.08672	1.5
129.10204	2.5
131.04942	7.0
133.02858	28.5
134.03630	1.7
135.04422	16.3
136.05107	0.8
136.06183	0.5
136.07518	0.7
137.05983	26.4
145.02835	10.3
146.03658	0.7
147.04420	2.9
149.05984	20.0
150.06764	64.2
151.03903	5.0
151.07475	2.6
152.07149	0.8
159.04414	12.3
160.27226	0.6
161.02333	8.6
161.05992	2.0
162.03098	1.2
163.03906	7.3
164.04739	0.9
165.05511	2.8
165.10423	0.5
166.06245	2.4
169.13315	0.6
173.02383	3.3
175.03899	2.3
176.04730	3.1
177.05487	18.4
177.06914	1.3
178.05061	0.8
187.03903	60.0
191.03426	3.3
192.06566	1.0
195.08040	0.6
205.06470	4.7
206.11665	0.9
221.06113	1.3
222.06743	2.0
223.07535	2.2
233.05978	6.2
234.06844	1.0
236.12839	0.8
237.09132	1.0
246.11237	2.0
247.44698	0.7
248.12833	4.3
249.05475	1.7
249.12372	0.9
250.06197	6.6
251.07045	2.9
261.05466	2.0
262.06329	0.6
263.13898	5.2
264.14670	4.2
265.05960	0.6
265.08578	3.3
265.15472	7.3
266.05643	1.3
267.06406	0.9
268.07397	0.7
269.08020	0.6
275.10300	2.3
278.05716	4.1
279.06537	1.9
281.08051	1.3
283.09698	2.9
285.11398	0.8
293.08078	9.8
294.05161	1.3
301.11792	5.8
309.07562	5.0
311.09146	100.0
312.09399	1.4
336.08652	0.9
337.06949	6.4
376.70328	0.8
396.95111	0.7
397.17404	1.1
399.18893	0.7
407.16150	1.0
408.14557	2.8
425.17084	66.6
426.17340	1.5
427.93524	0.6
464.29074	0.6
547.08679	0.7
599.22363	6.5
600.21014	1.9
617.23352	33.7
618.24255	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47353	2.0
53.03936	6.4
55.01853	5.1
55.05514	52.8
57.03436	16.5
57.07064	6.2
59.05002	11.3
65.03938	3.9
67.05508	100.0
69.03394	3.1
69.06731	2.7
69.07071	32.2
69.83182	7.1
69.83596	3.7
71.04970	5.6
79.05499	37.9
79.31888	2.0
81.03405	4.2
81.07057	79.5
82.07380	2.9
83.04991	4.8
83.08614	24.9
84.34574	2.0
85.02905	13.4
85.06532	5.6
87.04457	8.1
89.06004	2.9
90.23222	1.8
91.05489	26.6
93.07037	29.8
94.07354	5.0
95.04968	5.8
95.08615	55.8
95.27499	1.9
97.06519	7.9
97.10168	23.0
99.08105	2.1
99.36723	1.7
103.05479	1.9
105.07025	22.7
106.07365	3.0
107.08599	28.5
109.06522	10.2
109.10166	48.3
110.10448	2.0
111.08074	5.1
117.07001	5.5
119.08579	25.6
120.08907	2.9
121.06503	3.7
121.10168	16.8
122.10483	2.3
123.08068	8.6
123.11700	8.8
125.09655	24.5
129.07004	5.1
130.07770	2.7
131.08592	9.6
133.10141	16.8
134.24217	2.1
135.08025	3.6
135.11685	10.3
137.09601	7.0
137.13326	2.5
138.10239	1.8
139.11214	3.1
143.08563	6.2
145.10112	10.8
146.10443	3.1
147.08028	3.5
147.11694	7.6
149.09595	4.9
149.13283	3.6
151.07542	2.9
155.10632	2.3
156.73244	2.4
157.10114	8.3
159.08116	2.6
159.11617	4.6
161.09641	2.8
161.13239	6.4
163.11191	5.9
165.09105	4.4
169.10075	2.3
171.11653	6.2
173.09517	2.5
173.11739	12.8
173.13213	6.0
175.11154	3.1
175.14819	5.9
177.11237	2.2
181.12225	3.4
183.11627	3.9
189.12587	2.2
195.11746	3.4
196.12146	3.0
199.13281	8.2
203.14258	2.5
205.76270	2.1
207.11731	2.8
207.13821	3.6
211.14902	2.4
219.17508	3.3
221.15337	8.9
222.15829	2.8
227.12628	3.8
229.14345	33.8
245.22795	2.6
263.23691	6.5
265.37436	2.2
301.16599	10.2
337.27405	70.0
409.20062	2.1
454.20016	4.8
461.36240	2.4
468.21500	4.2
469.21851	14.1
479.37283	10.0
491.37241	11.4
512.27417	2.4
555.26050	3.5
556.26355	60.6
557.26453	2.7
563.39294	4.5
588.28680	4.4
616.28015	5.6
616.43671	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.05515	23.9
56.96552	1.4
57.03439	1.6
57.07089	6.9
59.05006	21.6
61.02935	2.3
67.05502	8.6
69.03416	5.3
69.07074	40.4
69.74192	7.1
70.06602	1.6
71.04987	7.0
71.08633	4.8
73.02924	1.3
75.04504	1.3
79.05499	3.0
81.03412	2.6
81.07062	9.9
83.08630	22.8
85.02914	18.0
85.10185	4.0
85.10669	1.2
87.04475	29.1
88.98773	1.1
89.06036	47.1
91.05456	1.1
93.07045	3.7
95.04998	1.6
95.08610	12.8
97.02909	5.1
97.10181	29.3
98.97602	2.9
103.03951	100.0
103.07591	13.0
105.07046	3.0
107.07066	3.3
107.08601	3.5
109.02914	1.6
109.10168	9.9
111.04367	1.0
111.11732	15.9
112.99162	1.1
119.07083	2.4
119.08572	3.4
121.04964	2.2
121.08654	9.2
121.10091	2.0
123.11677	2.3
125.13265	2.3
127.03970	2.6
128.37196	1.0
129.05536	1.9
131.07045	10.9
133.08618	19.1
142.88509	1.0
145.04918	1.9
147.06535	11.8
147.11641	1.7
149.13376	1.7
151.09645	4.5
163.09698	2.6
165.07680	1.4
165.16399	1.2
167.10732	1.2
167.17920	1.0
173.13382	1.2
175.09732	2.8
177.11218	4.0
183.17468	12.8
185.19073	7.1
191.09094	6.6
191.54044	1.0
195.12323	1.4
207.12282	16.0
209.10156	1.5
209.13919	3.4
223.10117	1.1
229.07578	1.5
229.21606	3.9
235.11778	16.7
253.12842	28.3
273.24365	7.6
317.26874	6.2
331.24823	2.3
335.27921	3.3
351.18353	1.6
367.18146	1.8
369.19562	3.5
375.27310	1.3
387.20529	4.1
391.30576	3.7
395.95929	1.2
402.45743	1.2
419.29855	8.1
437.31134	60.0
438.31427	1.8
494.96213	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.1
55.05524	24.8
55.96951	3.0
57.03429	4.6
57.07062	3.5
59.04993	8.2
65.03942	4.1
67.05513	42.0
69.07079	27.4
70.06593	7.2
71.04991	3.6
71.08637	3.7
72.08137	3.6
79.05502	44.1
81.06592	6.0
81.07063	100.0
83.05000	4.5
83.08607	12.0
84.08161	6.8
85.02894	6.6
86.09727	4.0
89.06037	18.8
89.33282	2.8
91.05486	37.4
92.31264	3.3
93.06491	5.0
93.07056	85.7
95.04989	15.7
95.08612	67.4
97.06551	8.8
97.10174	12.7
99.04501	3.0
103.05440	4.2
105.07050	73.9
107.08607	72.8
108.85848	3.0
109.06504	8.3
109.10168	65.4
111.08089	3.4
111.11732	4.5
117.07027	11.7
119.08595	77.6
120.08936	3.6
121.06507	8.6
121.09337	5.9
121.10165	89.2
123.08078	10.2
123.11718	18.8
125.09605	4.4
127.03902	3.2
129.06956	9.5
131.08562	27.6
133.08589	12.0
133.10141	41.1
135.08052	8.0
135.11700	35.4
137.09604	3.5
142.07770	7.7
143.08543	13.4
145.10114	40.0
147.08047	4.5
147.11691	36.8
149.09627	7.3
149.13268	47.3
155.08549	6.0
157.10149	19.0
159.08109	3.7
159.11711	54.5
161.09601	4.7
161.13284	40.1
163.11166	6.5
163.14807	17.3
167.10684	5.4
169.10110	15.0
171.11711	15.2
173.09657	5.0
173.13266	28.9
175.11189	11.5
175.14844	35.0
177.12769	4.6
177.16339	3.4
181.10107	3.4
183.11676	10.6
184.07335	3.3
185.13271	9.2
187.14865	51.6
189.12766	10.7
189.16386	22.7
191.14217	5.1
191.17889	4.5
197.13240	12.1
199.14845	5.7
199.80222	3.5
201.16487	16.6
203.17999	23.5
211.14825	13.6
213.16464	5.2
215.14217	6.3
215.17996	8.1
217.15848	6.0
221.15121	3.8
225.16484	7.0
227.17961	9.1
229.15849	7.1
229.19586	27.2
233.15382	4.8
239.14891	10.9
257.22672	63.2
265.01529	3.7
267.21118	33.5
285.22162	52.2
331.69073	3.4
344.13989	3.5
419.24319	7.1
419.33597	13.0
497.15164	4.6
557.16821	6.2
598.40161	5.0
616.17938	17.7
616.40485	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	615.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.3
55.05281	1.6
55.05519	23.7
57.03437	5.3
57.07072	6.2
59.04996	3.2
61.83737	1.7
62.80144	2.2
65.03941	2.6
67.05508	57.5
69.03432	2.1
69.07072	26.0
71.04977	2.3
71.08636	4.9
71.51436	2.5
78.29874	1.6
79.05495	33.2
81.07060	59.3
83.08630	13.7
85.06584	1.8
87.54699	1.8
89.06041	4.0
91.05484	20.0
93.07050	38.7
93.07636	2.9
95.04980	3.2
95.08611	50.0
97.06546	4.5
97.10186	6.3
105.04548	1.8
105.07035	25.3
107.08597	25.7
109.10169	23.2
111.11726	1.9
117.07028	7.6
119.08585	22.5
119.09393	2.3
121.10134	19.3
121.10806	1.7
123.11720	8.5
129.07014	2.1
130.74602	1.5
131.08585	15.8
133.08559	2.2
133.10120	17.4
135.11699	13.1
137.13255	2.2
143.08588	4.3
145.10159	12.4
147.11673	15.2
149.13234	7.8
151.11180	2.0
157.10202	3.5
159.11681	10.9
161.13327	8.0
163.14839	5.2
171.11731	4.3
173.13333	6.8
175.14885	6.5
177.16345	1.9
185.13345	3.4
187.14853	2.8
189.16356	2.5
201.16408	3.5
203.18121	1.8
215.17960	2.5
239.68285	1.9
245.22760	2.0
259.20703	5.1
261.22113	7.8
277.21729	6.0
299.23941	1.9
321.24365	2.6
333.24393	2.1
335.25912	8.6
337.27301	11.4
339.29025	3.1
375.08679	1.7
523.45093	4.1
541.46509	2.7
597.48682	12.6
615.49878	100.0
616.49994	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	615.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.3
55.01874	1.2
55.05516	26.0
57.03450	6.5
57.07079	7.6
59.04994	1.8
63.55773	0.8
65.03950	2.6
67.05510	59.0
69.07075	25.0
71.04996	1.6
71.08644	5.1
71.10703	1.7
79.05501	37.2
81.07065	68.8
83.04996	1.0
83.08628	16.2
85.06544	3.3
85.10188	1.6
89.06040	2.2
91.05490	24.8
91.06028	1.8
93.07050	44.2
95.04991	2.9
95.08614	56.7
96.40048	0.9
97.06547	3.4
97.10173	10.8
99.08105	3.4
105.06326	1.1
105.07036	27.0
107.08601	31.4
109.06542	2.2
109.10157	25.9
109.10846	1.8
111.08115	2.2
111.11744	2.8
113.09643	1.0
115.05453	1.3
117.07011	7.9
119.08585	23.3
119.09376	1.8
119.20589	1.0
121.10151	24.1
123.08096	2.1
123.11730	9.6
125.09670	1.0
127.11194	1.2
129.07028	3.6
131.08586	13.6
133.08638	1.8
133.10152	19.6
135.07976	1.1
135.11710	15.0
137.13255	3.2
143.08675	4.7
145.10135	15.5
147.11696	14.3
149.13257	9.5
151.11226	1.5
153.12772	1.0
157.10178	3.7
157.84544	1.1
159.11688	10.6
161.13260	10.3
163.14824	5.9
165.12859	1.1
165.16383	1.1
169.10164	1.1
169.18483	1.0
171.11703	5.5
173.13304	7.7
175.14812	6.3
177.16467	2.4
185.13316	3.5
187.14786	4.7
189.16437	3.3
193.19577	1.5
199.14835	2.2
201.16415	2.4
203.18013	1.2
205.19554	1.2
207.21091	1.2
213.16412	1.0
215.17885	1.7
219.21068	1.3
227.18114	1.4
229.19624	2.7
233.19109	1.6
243.21072	2.4
245.22702	1.8
259.20514	5.6
261.22174	10.6
263.23730	2.3
275.19684	1.2
275.23676	1.6
279.23303	1.9
287.23959	1.1
299.23560	1.4
301.25415	1.7
317.24808	1.4
329.28662	1.1
333.24463	2.7
335.25754	10.9
337.27435	13.5
339.29129	5.4
343.05402	1.1
441.76187	1.3
491.37616	1.7
523.45349	4.7
531.40674	1.9
541.46313	3.3
577.75018	1.0
597.48834	13.3
615.49884	100.0
616.49683	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	615.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
55.05516	17.0
57.03429	4.2
57.07072	5.4
59.04991	0.8
61.65836	0.7
65.03939	1.6
67.05508	35.8
69.06686	0.9
69.07071	19.4
70.68683	2.7
71.04987	1.1
71.08638	3.4
79.05498	23.0
81.06589	1.8
81.07063	34.9
82.07371	0.8
83.04977	1.1
83.08624	11.9
85.06535	2.0
85.10181	1.2
89.06062	1.0
91.05482	16.6
93.07046	28.5
95.04958	2.5
95.08611	30.9
97.06535	2.5
97.10169	6.0
99.08084	2.1
101.26382	0.8
105.07037	21.8
107.08600	16.6
107.36292	0.7
109.06490	1.0
109.10169	11.7
111.08073	1.8
111.11754	1.5
117.07012	6.1
119.08584	21.9
121.10142	12.3
123.08088	1.9
123.11729	3.5
125.09639	1.2
129.06992	3.4
131.08582	11.5
133.08691	0.9
133.10146	14.7
135.08112	1.4
135.11687	7.7
137.13252	1.8
141.07056	1.2
143.08582	3.9
145.10133	12.2
147.11710	6.1
149.09642	1.0
149.13266	4.9
151.11125	0.9
151.14830	1.1
155.08522	1.3
157.10147	3.7
159.11700	5.7
161.13306	7.9
163.14841	3.0
165.16368	1.0
169.10138	2.2
171.11658	3.8
171.15176	0.8
173.13327	4.3
175.14854	7.0
177.16391	2.6
183.11792	1.7
185.13300	2.8
187.14832	4.6
189.16422	2.4
191.17999	1.1
197.13342	1.1
199.14890	2.4
201.16417	3.5
203.18027	1.9
205.19441	1.0
211.14891	1.2
213.16408	0.9
214.82637	0.8
215.17943	1.9
225.16403	1.1
229.19579	1.2
231.21117	1.2
233.22800	1.6
243.21066	2.0
259.20447	1.7
261.22223	2.6
273.22256	1.1
287.23807	1.5
289.25372	1.3
297.24316	1.0
301.25443	1.6
315.27094	1.0
325.27240	0.8
335.25806	2.5
337.27509	3.4
375.29022	1.2
397.34470	1.2
439.35526	1.1
505.44168	1.7
523.45044	6.6
531.40503	1.2
541.46161	3.4
597.48798	11.6
615.49829	100.0
616.50818	3.7
616.97357	0.9
628.61780	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.2
54.62172	2.2
55.01878	3.9
55.05513	21.7
57.03441	3.5
57.07080	12.4
59.05008	17.9
65.03950	5.3
65.55195	2.1
67.05505	42.8
69.03434	8.1
69.07059	18.7
69.19163	4.1
69.19563	19.7
71.04991	5.4
73.06565	6.2
79.05501	34.7
81.07062	39.8
83.04993	8.3
83.08633	11.3
85.06552	27.3
87.04546	2.6
89.06048	8.4
91.05486	55.9
91.06018	3.2
93.07049	75.0
95.04984	17.5
95.08612	60.4
97.06554	8.6
98.20782	3.9
99.04467	3.8
99.08108	6.5
103.05505	3.9
105.04520	2.9
105.07037	72.1
107.04988	5.3
107.08603	56.9
109.06515	14.6
109.10148	27.4
111.08083	11.2
115.05446	4.3
116.06269	2.5
117.06992	15.5
119.06091	2.8
119.08587	100.0
121.06548	10.2
121.10143	44.6
122.07309	3.4
122.72842	2.1
123.04445	2.9
123.08076	40.8
123.11746	8.2
125.06020	6.1
125.09649	19.0
128.06259	8.3
129.07002	13.8
130.07768	3.8
131.08572	42.8
133.06494	5.4
133.08627	4.0
133.10138	63.1
135.08063	20.5
135.11684	24.9
136.86591	2.0
137.05922	2.4
137.09601	14.7
139.07529	2.5
139.11214	4.8
141.07042	5.6
142.07814	12.9
143.08562	28.1
144.09325	10.2
145.06520	3.5
145.10123	48.5
147.08022	23.3
147.11694	25.8
149.09610	14.4
149.13239	5.2
149.29980	2.2
151.07555	49.1
151.08681	3.8
151.11137	13.7
153.06961	3.3
153.09135	3.2
155.08534	12.7
156.09320	14.0
157.10152	42.7
158.07314	3.1
158.10947	6.0
159.08075	5.6
159.11694	30.1
160.08727	2.9
161.09647	17.2
161.13243	13.1
163.11223	13.1
165.09129	35.7
167.08627	7.1
168.09401	5.8
169.10152	19.1
170.10916	7.3
171.11688	24.6
172.12431	3.2
173.09683	5.1
173.13274	25.8
175.11285	8.7
175.14793	16.5
177.09109	3.3
177.12721	4.7
179.08620	7.6
179.10684	5.4
179.14336	3.1
180.09439	3.5
181.10168	10.5
181.12228	11.5
182.10995	6.4
183.11758	17.6
183.13728	4.5
184.12491	3.8
185.09619	3.5
185.13310	14.4
187.11275	6.3
187.14900	7.3
189.12767	16.5
191.14407	7.5
193.10196	7.7
193.12274	5.3
194.10899	6.6
195.11679	16.6
196.12627	3.9
197.13281	16.7
199.14879	9.4
201.12871	4.5
201.16422	4.1
203.14339	20.0
205.15872	2.6
206.11076	2.9
207.11754	6.2
207.13895	18.5
208.12473	2.5
209.13333	14.5
209.15257	4.6
210.13948	2.7
211.11433	2.9
211.13274	5.2
211.14955	6.5
213.16441	2.6
215.14377	5.1
217.15909	4.4
219.11691	3.7
221.13358	7.8
221.15364	85.0
222.14043	3.2
223.14825	6.4
223.17047	10.0
225.12691	2.5
225.16496	3.9
227.14439	3.8
229.15929	2.7
233.13237	5.3
233.15375	3.4
235.14864	5.9
237.16345	4.2
239.14241	2.7
243.14053	2.6
245.15572	2.8
247.14839	5.4
247.16991	5.1
249.16548	2.8
251.16644	8.9
261.16443	2.8
263.17972	3.2
265.19754	2.9
283.20682	3.9
285.18747	3.1
286.19421	6.5
287.20160	6.4
289.19836	2.7
297.18423	2.7
297.22256	3.7
299.20193	8.0
301.21872	3.3
348.72025	2.5
375.26855	4.9
377.25171	2.8
403.30344	3.6
411.42831	2.4
425.30338	2.5
441.83127	2.2
491.35394	9.7
565.40729	3.2
583.41589	19.0
597.42731	16.0
615.44141	87.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.1
57.07081	31.7
59.05007	1.4
63.00967	0.4
66.98299	0.5
67.05503	1.8
69.07076	4.4
71.08638	26.7
73.06568	6.6
75.11748	0.5
79.05495	1.0
81.07077	0.9
83.08624	2.6
85.09667	0.9
85.10190	16.7
87.04478	6.5
89.06039	100.0
91.05509	1.3
91.07587	0.8
93.07045	1.3
95.04980	0.4
95.08627	0.8
97.10161	3.4
99.11753	2.8
105.07034	1.8
107.07063	1.5
107.08614	1.0
109.10174	0.7
111.11736	2.5
113.13303	1.9
115.05676	0.5
117.09154	7.0
119.08598	1.4
121.10152	0.8
125.13287	1.7
127.14865	1.5
130.08681	1.7
131.07074	1.9
131.08543	0.6
133.08615	51.3
135.08173	0.5
135.10115	1.0
145.10121	1.0
157.10152	0.7
159.11775	0.5
161.11787	1.2
162.72363	0.4
177.11243	19.9
183.21094	3.5
207.13895	0.6
210.75520	0.5
221.13817	4.0
223.11191	0.5
227.23787	2.0
229.66023	0.6
233.13261	0.6
239.14925	1.1
254.66216	0.5
265.16501	1.4
271.26404	5.8
283.17596	1.0
309.19089	0.5
315.28848	3.1
327.20334	0.8
371.23114	0.9
415.25369	4.6
423.01846	0.5
504.36072	0.6
528.26959	0.6
571.25500	1.2
572.25922	3.8
597.45776	4.9
614.26611	2.8
614.39459	0.8
614.48273	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	614.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	5.6
57.07082	61.5
59.05011	15.0
59.14564	0.9
67.05513	4.6
69.07076	7.1
71.08638	48.4
71.51242	1.6
73.06561	10.0
79.05485	4.0
81.07056	4.3
83.04993	1.4
83.08621	5.2
85.10192	29.1
87.04477	19.4
89.06039	91.9
91.05471	3.7
93.07053	5.1
95.04977	2.3
95.08610	2.7
97.10169	4.1
99.11751	7.1
103.03953	100.0
103.07588	9.3
104.65864	1.1
105.07001	2.9
107.07064	2.3
107.08598	2.4
109.10115	1.3
111.11714	4.4
113.06023	1.2
113.13309	5.1
117.09134	8.8
119.07028	1.1
119.08567	3.7
121.08617	2.1
121.10162	1.7
121.95257	1.0
123.08005	2.1
125.13282	1.8
127.14828	3.0
130.08656	2.2
131.07056	6.5
131.08553	1.6
133.08618	49.7
133.10175	2.4
135.08029	1.3
135.10132	1.4
135.11682	1.3
145.10132	2.1
147.06544	10.2
147.10159	4.7
147.11586	1.4
159.08127	1.1
161.11775	1.7
163.09669	1.6
165.09068	1.2
169.10115	1.4
169.19461	3.5
171.11632	1.8
173.09689	1.5
175.09633	3.6
177.11234	18.2
191.09137	4.4
207.12216	3.7
213.22227	1.9
221.13757	4.3
235.11765	5.0
257.24765	8.4
271.26205	2.6
290.18335	1.3
301.27380	4.7
327.20425	1.2
415.25140	2.1
429.23291	3.2
596.87268	1.0
597.44592	2.8
614.41614	1.4
614.48175	1.6
624.93738	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.9
55.01876	7.2
55.05517	22.7
57.03444	7.2
57.07073	22.6
59.05003	8.3
60.26805	3.5
63.70128	3.6
64.23444	3.0
65.03953	5.1
67.05511	47.9
69.03423	13.0
69.07059	19.9
71.04991	4.7
71.08620	7.7
71.42816	4.8
79.05492	37.3
81.03423	33.9
81.07061	62.0
83.04988	22.5
83.08616	21.0
83.09996	3.1
85.02937	3.3
85.10170	8.4
87.04462	5.7
89.06049	17.3
91.05482	50.7
91.92404	3.2
93.07043	47.4
95.04974	68.9
95.08604	38.0
95.25761	3.1
97.06522	16.2
97.10146	8.4
99.04488	3.5
102.67170	3.3
103.03955	19.3
103.05503	3.3
103.07577	6.4
105.04486	6.7
105.07037	72.2
107.05000	6.9
107.08594	45.8
109.06533	21.2
109.10152	25.7
111.08083	5.8
115.05453	12.2
116.06205	3.6
117.07021	26.6
119.04992	4.5
119.08596	61.4
121.06509	17.7
121.10144	32.1
122.07304	6.7
123.04437	4.3
123.08064	19.8
123.11697	9.6
125.06010	23.4
125.09573	4.2
128.06219	28.4
129.07018	22.0
130.07805	9.3
131.08578	37.3
132.09317	6.5
133.06505	7.6
133.08592	8.5
133.10138	38.4
135.04407	4.3
135.08060	23.2
135.11684	9.8
137.06001	13.4
137.09599	11.2
138.10385	5.3
139.11223	3.8
141.06949	5.1
142.07756	17.1
143.08577	71.8
144.09328	11.2
145.06471	8.0
145.10121	67.8
146.07248	4.8
147.08029	19.0
147.11685	16.3
149.05951	3.3
149.09624	9.7
149.13171	4.6
151.11153	6.3
153.07011	6.7
154.07794	6.6
155.08603	21.2
156.09354	14.1
157.10126	40.6
158.10905	20.5
159.08067	17.2
159.11678	16.7
160.08830	5.8
161.05904	3.5
161.09622	18.2
163.07542	10.3
163.11172	25.8
165.06984	8.2
166.07811	7.7
167.08588	14.4
168.09331	8.3
169.10143	32.2
170.10995	5.0
171.08141	8.7
171.11633	20.3
173.09689	16.9
173.13240	5.2
175.11186	11.6
177.09135	4.8
178.07785	4.2
179.08495	16.7
180.09344	11.1
181.10150	20.7
181.12259	14.4
182.10966	9.2
183.08076	5.6
183.11732	29.0
185.09598	11.4
185.13254	10.9
187.11143	9.5
188.08328	4.0
191.08713	3.8
191.14365	12.6
192.09419	7.7
193.10150	20.9
193.12109	7.7
194.10939	11.8
195.11671	19.6
197.09641	11.6
197.13222	18.1
199.11240	13.9
201.09171	3.9
201.12766	8.9
203.08611	3.3
205.10126	5.0
206.10976	9.8
207.11749	23.7
208.08841	3.4
208.12511	5.9
209.09660	5.3
209.13295	14.1
210.10422	6.2
211.11156	11.2
211.14886	7.9
212.11957	4.9
213.12778	7.8
215.08572	3.7
215.10550	7.9
215.14203	5.0
216.11433	11.7
217.10246	5.6
217.15880	4.0
218.10851	6.8
219.11826	5.4
220.12463	6.8
221.13290	15.2
223.11076	6.3
223.14844	12.0
225.12784	10.6
227.14319	10.6
229.10147	4.3
229.12212	6.0
231.11774	7.2
232.12576	4.1
233.13193	11.8
235.11195	4.9
235.14798	11.6
237.12752	6.9
239.14386	6.9
243.11766	4.9
244.12233	3.7
245.13246	7.8
247.14819	11.2
249.12659	5.0
249.16518	5.1
253.16019	6.9
257.13065	4.7
259.14771	6.0
261.12839	6.0
261.16217	5.8
263.14145	6.4
265.16064	5.7
267.15967	35.8
271.17023	7.4
273.18613	27.3
275.18085	4.1
279.17538	5.1
286.19376	5.4
289.15686	4.4
297.18680	4.4
299.20203	5.0
305.17441	25.2
319.20663	4.5
331.19086	26.9
337.21521	15.0
337.27359	38.1
349.21490	3.8
352.23981	98.0
367.22989	4.4
369.20935	5.8
384.22949	52.8
395.22235	6.1
397.23666	9.7
424.22070	6.0
444.30154	10.3
455.35605	4.9
459.28922	7.6
476.29333	44.0
477.29523	4.3
495.26904	6.9
496.24475	3.9
522.25385	4.0
522.33264	9.2
529.38879	31.8
547.40173	7.7
554.28302	12.2
564.39642	4.3
582.27893	24.5
597.27563	6.5
599.28290	6.5
614.30249	71.4
614.39520	100.0
614.49420	7.0
615.39819	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	614.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59965	1.1
53.03934	3.2
55.01878	1.1
55.05517	7.9
57.03445	9.4
57.07066	1.9
59.04980	1.5
61.02913	2.9
67.05514	12.3
69.03423	4.8
69.07069	8.1
70.06585	2.8
71.04998	77.4
71.31907	1.5
73.02930	2.1
75.04489	6.2
79.05498	9.2
80.45110	1.0
81.03409	2.5
81.07063	32.1
83.04972	6.8
83.08615	3.4
84.08136	1.5
85.02911	100.0
86.09698	1.7
86.16263	1.0
87.04474	3.6
89.06002	1.6
91.05471	9.3
93.07056	20.5
95.04988	2.7
95.08611	21.8
97.02879	4.6
97.10178	2.5
99.04465	3.6
101.60611	1.1
101.91470	1.0
105.07040	16.1
105.32673	1.0
107.08607	23.7
109.02850	1.9
109.06479	1.4
109.10171	21.1
111.04469	4.9
111.11732	1.4
116.07134	1.6
117.07009	1.8
118.86229	1.1
119.08588	20.2
121.10141	16.8
123.11685	5.8
127.03915	4.6
129.04518	2.0
129.05487	35.1
131.08568	3.9
133.08611	1.4
133.10156	8.1
135.11700	7.3
143.08588	1.8
145.04948	3.3
145.10130	6.5
146.08121	1.5
147.06523	17.5
147.11696	10.0
149.09628	1.5
149.13274	9.4
157.10127	2.1
159.11705	8.7
161.13277	9.4
163.14824	5.6
164.09203	3.8
169.10226	1.1
169.52336	1.0
171.11684	1.5
173.13283	4.3
175.14816	5.6
177.16415	7.8
179.08647	1.1
185.13138	1.5
187.14844	2.4
189.16397	3.8
199.14731	1.3
201.16403	4.0
203.18015	2.7
208.05891	1.4
215.18028	6.7
229.19650	1.3
250.21167	1.3
255.08603	1.5
255.23195	1.4
269.22687	1.2
271.24237	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	614.245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.3
53.03947	1.4
55.01865	0.5
55.05503	0.4
56.05038	0.4
57.03437	0.7
57.25356	0.2
60.04515	0.3
61.02926	0.4
67.05499	0.3
68.05043	0.4
69.03432	3.2
69.46722	1.5
70.06596	3.6
70.08434	0.2
71.04984	0.5
72.08157	1.6
72.37898	0.2
74.06103	0.3
77.03945	0.6
77.16291	0.2
79.05502	3.1
80.05016	0.9
81.03429	5.1
81.07053	0.4
83.04976	0.6
84.04512	0.7
84.08156	2.2
84.77728	0.2
85.02439	0.4
85.02910	4.4
86.09699	1.4
95.04985	1.5
97.02902	3.6
97.06532	1.0
98.06072	2.6
99.04449	0.9
99.85085	0.2
102.04674	0.3
103.05472	26.9
105.04517	0.2
107.04948	1.3
109.02881	2.2
110.06064	0.3
112.08754	0.2
116.07117	0.4
120.08123	0.4
121.02842	0.2
124.07590	0.9
125.06004	7.0
126.05505	0.5
127.03925	1.7
129.10274	0.8
131.04935	100.0
132.05278	0.5
136.07591	0.5
140.07083	0.3
142.08640	16.1
145.04948	0.7
147.04425	0.4
149.05992	7.6
160.09709	9.7
176.09189	0.2
178.08664	0.4
202.10713	0.6
202.27216	0.3
204.10182	0.4
206.08121	0.6
222.08774	0.2
228.27710	0.2
232.09703	1.0
250.10757	1.6
257.08038	0.6
275.09158	6.6
293.06882	0.5
293.10190	9.5
320.13934	0.3
334.30371	0.3
347.10703	0.2
398.15979	0.7
416.16891	0.6
434.17999	1.5
452.19208	1.9
455.15424	0.7
596.23303	1.2
614.24506	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	613.4826
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.02394	1.2
53.03941	3.0
55.01874	2.4
55.05516	19.0
57.03442	6.9
57.07092	1.6
65.03954	2.4
67.05509	52.9
69.07076	16.5
71.04982	1.2
71.08643	1.1
71.15528	2.7
79.05495	34.4
81.07060	58.0
83.05008	2.7
83.08621	10.4
85.06529	2.1
91.05482	27.6
93.07048	39.1
95.04999	2.3
95.08612	47.3
96.23656	1.1
97.06509	3.0
97.10184	5.5
105.07040	25.6
107.08609	24.3
109.06579	1.6
109.10166	24.2
111.08104	1.4
111.11711	1.8
117.07007	10.6
119.08583	24.5
121.10157	17.3
123.11728	10.7
129.07019	5.1
131.08580	21.1
133.10149	17.2
135.08046	1.4
135.11707	12.7
137.09676	1.8
137.13289	2.8
143.08585	7.1
145.10124	17.7
147.11685	16.3
149.13269	9.3
151.11235	1.4
151.14845	1.7
155.08582	1.6
157.10146	6.6
159.11719	13.7
161.13284	10.6
163.14845	5.0
167.08542	1.4
169.10176	4.2
171.11659	6.3
173.13264	10.1
175.14851	4.8
177.12779	1.3
177.16460	2.4
183.11771	2.7
185.13272	6.8
187.14877	6.3
189.16411	2.8
191.17928	1.2
197.13274	1.2
199.14864	3.6
201.16380	2.2
203.18047	2.7
213.16443	1.9
215.17969	3.5
217.19618	1.9
227.18210	2.0
231.17526	1.6
231.21262	1.3
241.19742	2.0
243.21173	2.7
259.20572	7.6
261.22134	10.9
274.79984	1.4
279.23294	1.8
281.34180	1.4
285.22256	1.3
301.25357	1.5
315.26828	1.6
317.24863	3.7
326.33701	1.4
333.24295	6.0
335.25754	15.5
337.27417	8.5
489.36008	2.2
521.43658	5.2
539.44385	4.3
540.82477	1.3
543.41016	1.5
595.47406	14.3
613.48279	100.0
614.48669	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	613.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.3
55.01870	5.2
55.05516	12.0
57.03428	5.4
57.07067	3.1
61.02940	11.4
61.08352	2.4
67.05511	16.3
69.03439	30.1
69.07075	14.4
71.04987	5.2
73.02928	4.2
74.02176	2.4
79.05496	14.5
81.03440	13.6
81.07060	50.6
83.04988	2.7
83.08620	6.0
85.02913	100.0
87.04488	4.1
91.03979	5.6
91.05488	10.4
93.07053	31.3
95.04970	3.6
95.08611	35.6
97.02908	28.6
97.06530	3.8
97.10143	4.3
99.04469	6.8
103.32047	2.2
105.07043	33.0
107.08601	31.1
109.02883	8.0
109.06532	3.6
109.10167	27.0
117.07027	5.4
119.08591	30.9
119.41486	2.3
121.10169	28.7
123.11712	10.8
127.03937	23.6
131.08594	9.6
133.04907	2.3
133.10141	19.1
135.11719	17.0
137.05981	4.5
137.13257	4.2
142.07738	2.5
143.08609	2.6
145.04974	26.0
145.10147	24.0
147.11700	20.5
149.13274	16.0
157.10216	5.7
159.11685	20.7
161.13295	22.5
163.06038	6.0
163.14818	13.4
171.11694	4.8
173.13289	13.7
175.14793	11.1
177.16426	4.1
183.74921	2.9
185.13342	3.0
187.14789	10.5
189.16412	10.7
191.17970	3.1
201.16408	17.6
203.17993	7.0
213.16414	4.3
215.17973	12.9
221.16792	2.7
225.16368	2.3
227.17979	2.7
229.19550	6.7
231.21115	7.3
243.21149	3.7
254.21909	2.3
260.35226	2.5
269.22586	5.0
271.24237	49.3
283.24295	3.3
289.25299	22.9
379.26297	2.9
415.28287	3.8
433.29160	3.3
451.30621	7.1
625.40881	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	613.483
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03940	3.8
55.01877	2.2
55.05514	22.2
57.03439	5.4
57.07084	4.3
57.61583	0.6
58.95465	0.6
59.04995	1.6
60.65792	0.6
65.03939	4.3
67.05509	68.1
69.03448	1.0
69.07072	23.6
70.99757	1.3
71.00100	0.7
71.05000	2.6
71.08630	5.1
72.69588	0.5
73.06568	0.6
77.03928	0.7
79.05499	39.6
81.03445	2.0
81.07060	70.7
82.07416	0.8
82.09604	0.7
83.05009	3.0
83.08623	12.9
85.06553	2.2
89.06033	0.6
91.05486	30.7
93.07048	46.6
95.04963	4.4
95.08612	52.5
96.09002	0.7
97.06544	4.6
97.10178	5.5
99.08111	5.2
99.44311	0.7
105.04579	1.0
105.07036	28.2
107.08600	27.4
109.06517	2.4
109.10164	28.9
111.04490	1.3
111.08111	2.4
111.11726	1.2
113.09644	0.9
117.07022	11.7
119.08585	26.0
121.06560	0.7
121.10152	21.4
123.08089	1.6
123.11714	10.6
125.09646	1.0
128.06239	1.2
129.07007	5.3
130.07796	1.0
131.08586	21.1
133.10141	22.0
135.08069	1.1
135.11703	16.3
137.05972	8.1
137.09656	1.2
137.13264	4.7
139.11269	1.0
141.06985	1.1
142.07785	1.1
143.08574	6.4
145.10133	19.9
147.11708	17.7
149.09680	1.6
149.13271	11.1
151.11200	4.8
151.14874	1.7
153.12802	0.9
155.08598	2.3
157.10153	8.2
159.11700	15.1
161.09593	0.9
161.13271	12.3
163.11220	3.2
163.14836	5.0
167.08638	0.8
169.10132	3.2
171.11684	8.2
173.13271	9.3
175.11211	0.8
175.14857	6.7
177.12872	1.5
177.16402	1.4
179.14333	3.0
181.10129	1.3
183.11658	2.8
185.13225	5.4
187.14847	5.7
189.16473	3.4
191.18092	1.3
195.11763	0.9
197.13304	2.3
199.14853	3.6
201.16368	3.5
203.18069	2.3
205.19693	1.1
209.13321	1.0
211.14874	2.0
213.14677	0.7
213.16467	2.3
215.18022	2.1
217.19595	1.9
219.17613	0.7
221.15469	1.0
223.14844	0.8
225.16444	1.5
227.18076	0.8
229.19577	1.3
231.17448	1.7
231.21147	1.8
235.20569	0.7
239.17944	1.4
241.19727	3.4
243.21201	2.2
245.22746	0.7
247.20502	1.2
249.18625	2.0
257.19061	0.8
259.20566	9.3
261.22159	9.5
263.23822	2.1
271.20700	0.6
273.22192	1.5
275.20529	0.8
275.23672	0.7
277.18100	6.2
277.21713	10.0
279.23474	0.7
285.22266	1.4
287.23810	1.2
295.19290	0.7
295.22827	0.9
299.23740	1.5
301.25262	0.9
315.23318	0.7
315.26868	0.9
317.25012	1.8
321.24319	1.0
323.26059	0.8
327.26996	0.9
333.24280	5.4
335.25812	12.2
337.27478	8.6
337.44778	0.5
341.28635	1.1
347.25607	0.6
349.27676	0.8
355.30222	1.5
361.27725	0.8
369.31607	0.8
383.33197	0.8
437.34991	0.8
447.30508	0.7
451.35901	0.7
465.37344	0.8
466.64523	0.6
489.35944	1.9
503.37369	1.7
515.37268	0.9
521.43439	5.6
529.39331	1.0
531.40509	1.0
539.44482	4.4
543.40710	1.3
595.47308	9.3
596.46570	0.9
613.48334	100.0
614.48956	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	613.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.0
55.01869	2.7
55.05517	11.9
57.03442	14.4
57.07059	1.9
59.04990	1.5
67.05181	1.7
67.05509	23.4
69.03445	7.8
69.06791	1.1
69.07070	12.2
69.39472	6.2
69.39876	3.6
70.06577	2.8
71.04999	70.3
72.08144	2.6
72.71837	1.2
73.02908	3.3
75.04471	4.8
75.88626	1.3
79.05497	22.7
80.53363	1.5
81.03428	4.9
81.07063	92.2
83.04984	10.4
83.08609	4.6
84.08138	2.3
85.02912	100.0
85.06534	1.4
86.09719	1.7
87.04463	2.5
89.06054	1.4
91.05479	19.5
93.07052	42.7
93.41556	1.1
95.04996	6.4
95.08614	67.9
97.02881	5.4
97.06533	4.0
97.10154	4.1
98.21486	2.0
99.04412	2.7
105.07035	32.9
107.04952	2.0
107.07882	2.0
107.08597	39.3
109.02887	2.3
109.06539	11.5
109.09385	1.7
109.10163	28.6
111.04444	4.9
111.08080	6.5
111.11737	1.5
117.07041	6.6
119.08588	26.4
121.06502	3.2
121.10160	29.8
123.08102	3.1
123.11712	8.9
125.09614	3.9
127.03890	1.7
128.06175	1.5
129.05492	22.9
129.07001	3.5
130.07794	1.4
131.08585	13.8
133.10144	17.5
134.68495	1.3
135.11700	21.1
136.01619	1.5
137.09613	5.5
137.13231	3.2
142.07782	2.0
143.08578	8.6
145.04941	2.3
145.10138	17.4
147.04311	1.4
147.06505	7.9
147.07986	1.3
147.11710	15.8
149.09612	2.3
149.13263	24.5
151.11171	7.0
155.08534	2.3
157.10168	10.8
159.11699	17.9
160.90829	1.2
161.13264	7.9
163.11156	2.4
163.14868	8.0
165.12825	2.0
169.10143	2.0
171.11749	7.4
173.13272	10.2
175.11105	1.9
175.14854	6.6
177.12793	1.5
177.16348	6.6
183.11723	1.6
185.13280	5.4
187.14813	8.8
189.16377	5.1
191.14359	1.9
193.15967	2.2
197.13080	2.1
199.14861	9.0
201.16374	4.5
203.17924	3.9
205.15900	9.8
213.16396	14.2
227.17944	3.6
229.19406	2.0
243.21011	1.7
248.28227	1.3
255.21065	1.4
259.24216	2.5
269.22662	32.0
270.23337	1.5
287.23700	23.0
305.24820	6.2
312.43604	1.3
343.64581	1.3
397.27219	2.4
415.28299	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	613.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.8
55.01862	4.7
55.05517	14.5
57.03443	12.5
57.07066	3.1
57.27539	2.2
59.05009	2.7
61.02903	2.6
66.04176	2.9
67.05170	3.0
67.05507	28.2
69.03420	7.3
69.07074	14.4
70.06599	16.3
70.62405	3.1
70.62772	4.9
71.04998	67.3
72.08141	9.1
75.04486	5.5
76.07367	2.4
79.05507	22.9
81.03426	3.1
81.07063	60.7
83.04983	12.0
83.08598	5.0
84.08128	10.6
85.02911	100.0
86.09688	10.1
87.04459	5.0
91.05489	22.8
93.07050	35.4
95.04958	5.6
95.08623	33.8
97.02874	10.0
97.06528	7.6
99.04485	4.0
105.04465	2.2
105.07033	40.0
107.04956	2.5
107.08589	46.5
109.02873	2.8
109.06535	3.7
109.09485	3.0
109.10166	46.5
111.04439	4.2
111.08068	4.9
115.05484	2.7
117.07004	8.2
119.08588	60.9
121.06514	3.6
121.10154	14.6
123.08051	4.0
123.11711	8.9
125.09616	5.0
127.03897	4.5
129.05496	24.1
129.06950	4.6
129.10214	6.4
130.07806	2.1
131.08577	13.9
133.10135	22.5
135.08102	3.2
135.11694	43.8
136.07660	2.8
137.09596	6.3
139.11105	2.9
142.07744	4.0
143.07062	3.4
143.08574	10.4
144.09355	2.5
145.04987	3.6
145.10120	27.8
147.04396	4.7
147.06520	10.6
147.11690	14.8
149.13248	10.7
151.11206	3.6
153.12611	2.5
155.08545	2.5
157.10158	19.0
159.11696	34.0
161.13275	13.2
163.11182	3.1
163.14839	4.5
165.12740	6.1
169.10194	3.6
171.11732	15.3
173.13277	12.6
175.11185	5.2
175.14825	7.2
177.12720	3.3
177.16521	2.5
185.13300	11.4
187.14801	6.3
189.16315	3.3
193.15862	3.0
195.11674	2.4
197.13300	3.0
199.14789	9.7
201.16316	4.7
203.17905	3.7
205.15842	3.1
211.14865	3.3
213.16383	35.8
219.17447	5.2
225.16484	3.8
227.18018	4.2
229.19586	5.7
241.19485	2.9
269.22672	25.2
287.23666	15.0
305.24805	7.9
383.27789	2.4
415.28546	3.5
433.29660	3.9
437.19940	2.6
589.94800	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	613.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72433	2.7
53.03951	6.2
54.00833	3.1
55.01869	5.8
55.05508	14.0
57.03434	7.9
57.07084	6.4
60.48897	3.1
61.02919	10.6
67.05510	17.6
69.03442	28.7
69.07071	17.6
71.04978	4.8
73.02899	5.8
74.78360	3.7
79.05480	15.2
81.03403	15.1
81.07067	48.9
83.08619	6.8
85.02915	100.0
91.03960	5.1
91.05506	18.4
93.07045	34.7
95.04926	4.8
95.08617	44.4
97.02901	30.6
97.10154	6.3
99.04491	5.0
101.79660	3.2
105.07044	32.2
107.08603	36.7
109.02863	12.2
109.09563	3.9
109.10166	37.6
111.11713	3.9
117.06977	7.0
119.08595	33.5
121.10150	40.6
123.11716	14.6
127.03931	22.9
131.08572	13.6
133.10146	26.5
135.11736	15.9
137.13301	5.2
143.08499	4.9
145.04974	26.3
145.10127	20.2
147.04378	3.3
147.11708	21.5
149.13255	17.4
157.10074	6.0
159.11693	30.6
161.13272	27.8
163.05986	9.5
163.14833	15.0
173.13310	17.2
175.14824	17.5
177.16382	10.6
185.13174	3.8
187.14790	13.8
189.16367	9.2
191.17885	5.1
199.14789	3.9
201.16460	22.2
203.17955	10.1
211.14793	4.3
213.16400	3.3
215.17984	18.4
229.19545	4.9
231.21065	13.1
243.21086	4.2
249.53024	3.4
269.22610	4.6
271.24228	63.3
273.25769	4.9
289.25351	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.5
55.05524	14.4
57.03428	9.2
57.07068	6.5
61.02924	5.6
67.05495	18.6
69.03435	31.3
69.07066	18.6
69.53524	15.3
70.73515	2.3
71.05012	4.6
71.08610	3.8
71.97993	2.4
73.02906	5.0
79.05509	14.6
81.03410	12.1
81.07059	48.4
83.08631	8.1
85.02909	100.0
89.63720	2.9
91.03961	4.5
91.05474	17.4
93.07045	40.4
95.04972	4.5
95.08609	39.1
97.02893	32.6
97.10177	4.6
98.20768	5.3
99.04472	5.1
105.07041	39.7
107.08607	43.3
109.02866	9.6
109.10162	39.8
110.41807	2.9
111.11716	3.4
117.07011	6.0
119.08587	40.9
121.10151	41.8
123.11740	11.9
125.09550	3.2
127.03950	20.8
128.06271	3.4
131.08578	13.5
133.10123	26.5
135.11690	22.2
137.13283	6.6
143.08525	5.1
145.04936	24.9
145.10117	31.1
147.11731	21.3
149.13278	18.9
157.10172	7.3
159.11726	31.6
161.13263	25.3
163.06018	5.2
163.14862	16.6
171.11682	4.1
173.13292	20.8
175.14824	12.3
177.16367	5.3
183.11615	2.9
185.13315	3.6
187.14842	12.7
188.45537	3.5
189.16388	10.1
199.14821	3.9
201.16399	19.1
203.17964	7.8
211.14848	3.6
213.16443	5.5
215.17987	13.6
229.19574	5.5
231.21098	8.6
243.21080	4.4
269.22650	4.1
271.24228	59.0
289.25238	21.2
332.95541	3.0
397.27707	3.7
402.60309	3.0
433.29404	7.8
451.30685	3.8
569.14191	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	613.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.4
53.63277	2.7
55.01875	5.0
55.05508	13.5
55.31364	3.0
56.62532	2.8
57.03435	7.5
57.07065	3.6
61.02927	9.4
64.62473	2.8
65.03965	2.8
67.05508	17.2
69.03432	30.4
69.07072	22.3
70.06599	4.9
70.62695	2.9
71.05002	5.0
71.50423	3.9
73.02895	3.4
77.74383	3.4
79.05499	20.4
81.03441	12.4
81.07063	53.9
83.04999	4.2
83.08619	6.3
84.00819	2.9
85.02912	100.0
87.04474	4.6
91.03975	3.0
91.05484	13.9
93.07054	31.8
95.04974	6.3
95.08622	39.9
97.02905	35.5
97.06517	4.5
97.10172	7.5
99.04468	7.0
103.03941	5.3
105.07031	39.2
107.08601	39.8
109.02899	7.9
109.10163	33.1
111.11589	2.8
117.07047	5.4
119.08594	44.5
121.10153	32.6
123.11703	15.8
127.03932	27.7
131.08569	16.6
133.10147	21.2
135.11687	20.0
137.13269	4.1
145.04984	25.3
145.10147	19.1
147.07971	3.6
147.11703	25.2
149.13263	18.1
151.14859	3.7
157.10164	5.7
159.11719	28.8
161.13271	22.6
163.06035	4.0
163.14816	15.2
165.68858	3.4
173.13232	18.6
175.14874	12.7
177.16373	7.4
187.14859	12.0
189.16441	13.9
191.14331	3.8
191.17973	4.6
201.16377	16.5
202.81104	3.2
203.18021	8.2
213.16425	3.1
215.17932	23.3
219.17482	3.8
229.19617	7.0
231.21141	12.1
243.21133	4.6
271.24240	65.6
289.25336	30.2
313.00998	3.5
409.51511	4.0
433.29648	4.3
549.29718	3.2
559.17096	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	613.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
53.41482	0.7
55.01881	0.8
55.05513	3.5
57.03434	2.2
57.07075	1.7
59.04989	2.0
65.03929	1.3
67.05516	8.7
69.03437	1.6
69.07072	3.3
69.21190	6.5
71.04996	4.0
71.08624	0.6
74.28159	0.7
79.05499	9.5
81.03419	0.9
81.07060	10.8
83.04990	2.1
83.08620	1.9
85.02914	5.5
85.06532	1.1
89.06039	0.7
91.05489	7.3
93.07059	10.6
95.04993	3.1
95.08616	9.9
97.06527	1.0
98.20747	1.5
105.07040	9.4
107.04978	1.3
107.08584	5.6
109.06524	2.7
109.10178	4.1
111.04494	0.9
111.08078	0.9
117.07047	2.3
119.08568	7.4
120.03575	0.7
121.06459	1.1
121.10164	5.4
123.08086	2.2
123.11732	0.8
125.05994	1.1
125.09640	0.9
128.06276	1.0
129.05492	1.3
129.07036	2.5
131.08582	4.1
132.08157	0.8
133.10143	3.7
135.08073	1.9
135.11691	2.8
137.05968	0.8
142.07774	1.2
143.08600	3.2
145.06491	1.0
145.10150	5.5
147.04472	0.8
147.08029	1.1
147.11710	2.7
149.09650	1.7
149.13280	2.0
151.07509	1.0
151.11134	0.7
155.08583	0.9
156.09335	0.7
157.10149	2.6
158.09720	1.2
159.11731	2.7
161.13251	0.9
163.11194	1.4
167.08556	0.8
167.10663	1.0
169.10167	1.7
171.11731	2.4
173.09612	0.9
173.13284	2.2
175.14859	0.8
177.09109	1.0
177.16356	0.7
181.10233	1.8
181.12088	0.8
183.11732	1.1
187.11136	1.8
187.14818	1.6
189.16444	0.8
191.14342	1.5
195.09148	0.9
195.11815	0.9
197.13339	1.5
203.14406	1.0
205.15833	0.8
207.11838	1.0
209.10770	1.2
209.13493	0.8
211.12306	1.0
213.16451	0.9
215.14368	1.1
221.10922	0.8
221.13458	1.2
221.15442	2.6
223.12344	0.8
224.13115	0.9
225.14047	2.1
226.14825	0.8
233.15421	1.6
235.12534	1.2
235.14935	0.7
237.14008	2.8
238.14694	1.1
247.12383	0.8
249.13988	0.8
251.15575	1.6
253.16599	0.7
261.14447	0.9
264.15482	0.9
269.10693	0.7
269.22644	1.1
275.14777	0.9
275.20160	2.2
289.17593	0.9
307.22681	1.5
314.16678	1.4
335.14346	0.8
335.18723	0.7
339.16602	1.2
345.62320	0.7
346.19537	0.8
353.17700	1.3
364.17722	1.1
365.18018	1.0
366.19519	1.4
367.19473	1.0
377.17789	1.8
379.19659	1.7
382.18173	0.9
391.19611	1.3
392.20151	1.3
393.16693	0.9
393.21030	2.3
394.18091	1.3
395.18933	1.1
396.19650	0.9
405.21252	1.0
406.17813	1.7
407.18158	1.5
407.22516	2.2
409.15970	1.1
409.20529	2.6
410.17419	1.8
411.22379	1.1
419.18680	1.8
420.19434	2.2
421.20071	6.6
422.21045	1.4
423.22031	3.2
424.18814	3.5
425.19861	3.2
433.20078	2.5
434.21692	1.1
435.22437	3.9
436.22641	3.0
437.24026	4.4
438.20917	1.2
439.21307	13.5
445.20190	1.1
447.21915	2.6
449.23419	3.8
450.18353	1.9
450.24295	2.5
451.21323	1.4
453.23026	2.5
455.24435	2.0
459.21750	0.9
463.20877	2.9
463.25507	2.6
464.22116	1.5
465.22922	2.3
466.23572	1.0
467.20181	1.1
468.25589	0.9
469.22266	1.9
473.23489	1.3
474.24252	1.2
475.20917	4.7
476.21857	1.5
477.23007	1.7
481.26172	1.3
483.24033	1.4
491.24857	4.1
495.27405	1.0
504.56610	0.9
507.24161	1.5
508.24902	2.0
509.25809	1.8
511.23605	3.4
512.23901	3.3
513.29065	1.3
519.24451	1.1
523.27155	24.5
524.27271	2.2
526.26105	8.7
533.24908	1.4
537.25153	2.4
540.27301	1.5
541.28168	83.8
542.28271	2.6
549.24756	1.7
550.25165	1.4
551.26569	11.9
552.24353	5.7
567.26111	3.4
569.27722	19.8
577.24823	2.4
595.25354	5.4
595.39764	1.2
613.26599	100.0
613.40588	6.6
614.27216	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	613.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.7
55.01871	1.0
55.05508	2.7
57.03429	2.4
57.07064	1.0
59.04998	0.7
61.52557	0.8
63.83144	0.7
64.88162	0.8
65.03929	1.0
67.05512	6.9
69.03417	1.1
69.07065	1.8
69.52959	4.4
71.05013	1.0
72.39252	0.7
79.05499	8.2
79.70039	0.6
81.03450	1.0
81.07051	7.7
83.03313	0.8
83.04974	3.1
83.08611	1.8
91.05473	6.6
93.07059	8.3
95.04989	3.6
95.08618	5.2
97.06538	1.7
99.08121	0.8
105.07042	5.4
107.04955	3.1
107.08622	4.6
108.05830	0.9
109.06525	2.7
109.10142	3.7
111.04442	3.2
111.72501	0.8
115.05473	0.8
117.07020	2.9
119.08575	5.9
121.06476	1.5
121.10165	3.7
122.09694	1.0
123.08075	1.1
123.11710	0.8
125.09642	0.9
128.06277	1.1
129.07014	1.8
131.08592	3.3
133.10161	2.2
135.08058	1.7
135.11708	1.9
137.09575	0.9
143.08546	1.6
144.08095	0.9
145.10136	2.2
147.08051	1.0
147.11778	1.1
149.05991	1.2
149.09654	3.3
150.13145	1.0
151.07471	0.7
151.11176	0.8
153.38474	0.7
155.08583	1.0
157.10165	2.7
159.08064	1.5
159.09258	1.0
159.11713	3.4
160.09993	0.9
161.09679	0.9
163.07579	0.9
171.11801	1.0
173.10893	0.9
174.09125	0.8
175.11197	1.0
177.09108	1.6
183.11746	1.0
187.14926	1.7
197.10756	1.2
202.88824	0.7
205.12285	2.6
209.10751	1.0
211.12540	1.0
213.10362	0.9
215.14317	1.0
221.10747	1.2
221.15408	1.4
223.12495	1.3
224.13205	1.2
225.13960	2.0
233.15388	1.2
234.11665	1.1
235.12476	1.0
236.13100	0.9
237.13965	1.3
238.14619	1.1
239.15445	1.7
243.13942	1.0
249.10393	1.0
249.14034	1.7
251.15532	0.9
259.12466	0.8
263.15533	1.0
271.17007	1.0
274.13522	1.1
275.20517	0.9
275.46375	0.9
279.15637	1.3
286.13214	1.0
300.15466	0.8
307.66974	0.8
312.14822	1.0
314.16431	1.8
326.16284	0.9
335.18570	2.4
335.25934	2.4
339.16479	1.2
340.18216	1.5
350.16287	1.3
352.18091	0.8
353.17999	2.3
354.19196	1.4
363.16190	1.4
364.17636	1.3
365.17926	1.7
366.19162	1.3
367.19443	1.4
376.17651	1.1
377.17822	1.7
378.18692	2.1
379.19449	2.6
381.16904	1.8
381.21179	1.8
382.17664	1.0
383.22501	1.6
391.19516	1.3
392.20526	1.1
393.21011	2.2
395.18628	1.8
397.20407	1.6
405.16849	1.4
406.17776	1.0
407.18765	2.9
408.19626	2.6
409.20288	3.0
410.17230	1.9
411.22101	1.6
419.18600	1.9
420.19675	2.3
421.19928	6.7
422.21152	3.4
423.21878	3.5
424.18982	2.8
425.19403	3.8
426.21387	1.2
432.19690	1.0
433.20477	1.8
435.22519	3.6
436.22623	3.7
437.24133	5.3
438.20444	1.5
439.21191	11.4
440.22043	1.1
441.23285	2.1
445.20294	1.5
447.22543	1.7
449.24380	5.6
450.17905	1.2
450.23804	2.9
451.21246	1.4
452.22437	1.0
453.23273	4.0
455.24423	1.6
459.21658	1.2
460.22864	1.6
463.20667	2.6
463.25317	3.3
464.22360	1.4
465.22870	3.1
467.24713	1.1
473.23605	1.4
475.21106	7.4
476.22018	1.5
477.22769	2.2
481.26520	1.8
484.24670	1.4
491.24420	5.6
492.24844	1.0
494.23337	1.6
495.27820	1.1
497.25781	2.5
498.26331	1.6
508.24979	1.7
509.25375	3.6
511.23642	2.7
512.24237	4.4
513.28998	0.9
523.27136	31.5
524.26929	2.4
525.25281	2.7
526.25928	7.0
527.26483	2.9
533.25513	1.2
537.24957	1.9
540.26495	1.0
541.28143	79.9
542.28381	2.9
549.24689	1.9
551.26648	14.1
552.25323	3.1
553.24982	0.9
567.26093	7.7
569.27637	17.0
570.24915	1.9
571.25568	14.6
577.24524	2.3
595.25452	11.0
595.40314	2.1
596.26453	1.4
613.26593	100.0
613.41663	3.6
614.26923	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2659
Annotation	Karajinone B
Peak:m/z	Relative Intensity
55.05519	1.0
55.67487	0.9
59.05006	1.9
67.05508	2.0
69.07047	0.9
70.08249	0.7
70.08871	3.5
78.85385	0.8
79.05512	1.9
81.07058	1.4
85.02875	0.8
85.26888	1.0
91.05465	1.8
93.07053	2.6
95.04992	1.0
95.08617	1.2
105.07046	2.2
119.08592	1.9
121.10217	1.2
131.07352	1.8
133.10155	1.5
136.07622	3.3
138.09158	1.5
144.08084	1.0
145.10121	1.0
146.09702	1.8
157.10083	1.0
171.09296	1.2
172.07423	0.9
172.09949	1.2
172.11238	1.0
174.09174	8.0
183.09200	1.3
184.07545	1.2
184.09921	1.1
186.09224	0.9
187.08757	1.8
187.12309	4.7
188.10757	4.1
190.04921	1.0
197.07076	1.4
197.10815	2.0
199.12469	1.4
209.10582	1.2
211.08691	2.6
212.09285	1.0
213.10269	1.5
215.11853	3.7
223.12445	1.2
225.10284	3.9
226.11024	2.6
227.11867	6.1
235.08752	2.8
236.09360	1.2
237.10353	2.3
239.11935	2.7
241.13377	6.3
243.11313	22.5
249.10313	2.9
251.11871	3.9
252.08954	1.1
253.09769	1.9
265.09598	2.0
265.13535	1.2
267.11356	8.7
269.12885	7.8
271.10751	1.4
277.09760	2.8
287.11343	0.9
287.14029	5.3
289.13184	1.0
293.12845	1.9
295.10800	7.3
297.12473	1.7
300.11523	1.2
305.11414	1.3
309.12408	1.0
311.13986	3.0
313.12045	1.4
314.13083	3.1
315.14215	1.2
316.14618	1.2
317.12115	1.1
318.12320	1.1
327.13425	11.0
328.11084	1.8
328.14737	2.3
329.11624	1.7
330.12430	3.7
330.16034	2.8
331.13269	1.6
332.13956	1.3
341.11780	1.6
342.12329	4.1
343.13202	3.6
344.14120	4.2
344.17679	1.1
346.15610	2.5
348.13461	2.6
354.12393	1.2
355.13266	1.5
356.13950	4.2
357.14963	1.7
358.15720	4.0
360.17386	1.7
368.14050	1.4
370.15610	3.1
371.16336	2.0
372.17169	6.4
374.18942	2.1
376.16562	1.1
382.15726	1.2
384.13065	1.4
384.17267	2.8
386.14664	2.0
386.18808	3.1
398.15097	1.7
400.16696	2.1
403.15265	1.5
404.16675	1.3
416.16336	1.5
418.17694	3.9
419.19006	1.1
420.16080	1.4
421.16769	1.9
430.17722	1.0
431.18896	2.1
432.19495	1.2
433.19992	1.4
435.18869	1.6
437.19955	1.4
446.17291	2.7
447.21606	3.0
449.15326	1.5
449.20639	2.0
450.21735	1.4
451.21909	1.3
452.22278	1.5
461.23523	2.8
462.24506	2.0
463.21100	1.1
465.19495	8.5
475.21002	1.3
477.18964	2.5
478.20023	5.5
479.20218	5.6
480.21573	3.7
481.22034	1.6
489.22955	2.9
490.19702	7.0
491.20898	1.7
492.21570	3.2
493.22858	5.2
507.23965	4.7
508.21094	1.7
517.22321	2.6
520.21002	1.1
521.22119	0.9
535.23438	18.3
536.22943	2.1
539.22852	2.4
540.23944	1.1
553.24493	89.6
554.25189	2.4
563.22986	5.5
581.23993	62.0
582.24335	2.1
595.25592	2.2
613.26599	100.0
614.26813	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	613.2664
Annotation	Karajinone B
Peak:m/z	Relative Intensity
55.01872	2.4
55.05508	3.9
57.03435	1.4
59.05005	3.1
64.62810	1.5
65.23745	1.4
67.05508	5.2
69.07068	3.1
71.50519	1.7
76.91234	1.6
77.27749	1.5
79.05491	6.4
81.07057	5.1
83.08641	2.0
91.05493	6.4
93.07050	6.6
95.04996	2.1
95.08614	3.6
99.61120	1.8
105.07062	4.9
107.08610	4.8
107.76452	1.7
109.10168	2.6
117.06989	2.4
119.08584	4.0
121.10161	5.0
131.08603	1.7
133.10152	4.0
141.79019	1.4
145.10103	4.5
146.09753	1.7
147.11703	1.7
155.08591	2.9
156.09306	1.6
156.87320	1.5
157.10150	2.7
161.13478	1.8
173.13307	2.3
174.09184	5.6
184.07358	2.8
185.13336	2.3
188.10728	2.5
211.08702	4.8
215.11815	2.8
225.10359	2.2
227.11810	2.9
237.10197	2.3
239.11879	3.0
241.13402	3.4
243.11348	14.9
249.10306	3.1
251.11897	2.1
267.11282	8.2
269.12891	4.9
271.10748	2.2
277.09641	2.0
287.14081	4.0
295.10880	6.0
311.14093	2.5
314.12967	2.0
316.14606	2.7
327.13409	5.3
328.10892	3.6
330.12415	2.9
342.12259	2.0
343.13217	3.5
344.13977	3.8
346.66110	1.7
348.13522	6.7
354.11935	2.0
354.15927	2.3
356.13950	5.2
358.15668	5.1
370.15536	3.5
372.17200	3.7
373.48648	1.9
374.14948	3.5
374.19128	2.2
386.14902	3.3
400.17099	2.2
418.17624	5.1
421.16760	1.9
446.17502	3.2
462.21274	2.1
465.18625	10.6
475.21320	2.1
478.20474	3.1
479.20627	7.2
480.22009	4.1
489.22946	3.5
490.20041	3.4
493.22507	3.2
507.24036	4.0
508.21106	2.1
521.21759	2.8
535.23456	15.6
553.24524	91.1
554.24860	3.3
563.22864	2.5
581.24023	100.0
582.24463	2.3
595.25232	4.0
613.26349	48.5
613.40045	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	612.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.4
56.37205	0.6
57.07081	32.2
59.05004	14.5
67.05508	1.6
69.07075	5.1
69.98917	2.4
71.08636	28.4
73.06556	6.9
77.06054	1.1
79.05518	0.8
81.07064	1.3
83.05038	0.5
83.08627	4.8
85.10190	19.9
87.04475	17.9
87.04889	0.3
89.06039	47.9
92.24501	0.6
93.07045	1.0
95.08610	1.0
97.10165	5.3
99.11729	3.0
100.24577	0.6
103.03950	100.0
103.07584	13.3
107.07106	0.8
109.29150	0.5
111.11709	2.7
113.13309	2.2
117.09136	4.1
119.07059	2.0
121.08640	2.4
125.13278	1.8
127.14844	2.2
130.08597	0.7
131.07060	4.5
131.08554	0.7
133.08620	15.9
133.10143	0.7
141.16385	1.5
145.10201	0.5
147.06531	10.3
147.10172	6.3
155.17984	0.9
161.11780	1.3
163.09657	2.8
175.09659	2.8
177.11223	7.3
191.09200	4.6
195.12238	0.6
207.10583	0.6
207.12225	3.1
211.24261	2.1
221.13899	1.6
222.60655	0.6
235.11806	5.4
251.15082	1.2
253.16440	0.9
255.26894	1.7
279.14462	1.5
283.17657	0.6
295.17554	0.7
299.29520	6.3
312.36099	0.6
323.17120	0.7
339.20200	1.7
342.87390	0.5
343.32233	3.0
352.44467	0.6
385.20752	3.4
473.69421	0.7
581.27142	0.7
595.44318	2.5
612.47076	3.3
613.30170	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	612.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88154	2.1
53.03941	5.2
55.01851	2.8
55.05516	10.7
57.07069	5.5
58.99595	10.2
59.04994	3.5
65.03932	2.6
67.05506	26.9
69.03434	31.2
69.07076	16.5
70.06590	6.1
71.04993	7.1
71.50857	2.8
72.08138	3.5
75.02695	10.2
76.02231	36.7
76.03995	3.7
79.05497	34.3
81.07061	100.0
83.04985	2.3
83.06094	6.6
83.08613	6.0
84.04512	12.6
84.08146	5.2
85.02904	5.3
85.06535	2.3
86.09694	3.3
86.99084	3.0
89.06054	2.6
91.05469	23.9
93.07047	60.4
95.04954	9.0
95.08614	52.4
97.02878	2.7
97.06551	13.6
97.10173	6.3
99.02688	3.4
99.05588	2.9
102.05509	2.2
105.07037	53.7
107.07873	4.7
107.08597	74.9
109.06534	15.4
109.10170	38.6
111.02683	2.3
111.11726	3.0
113.04243	2.9
113.09630	2.4
115.53620	2.1
116.01699	14.4
117.07005	8.8
119.08591	65.1
121.10140	44.6
123.08064	8.0
123.11707	20.2
125.04082	2.2
125.09643	47.8
127.11186	7.5
129.03706	2.3
129.06659	7.2
130.05029	4.9
131.08580	9.9
133.10139	32.9
135.11696	24.2
137.13271	2.4
139.11145	3.2
141.07289	2.3
142.03271	3.9
143.08572	7.2
144.01178	7.8
145.06183	3.0
145.10138	28.0
147.11703	32.2
149.13254	32.9
151.11174	22.7
157.10139	16.3
159.11713	26.9
161.09641	2.1
161.13263	17.0
162.02226	26.1
163.11186	3.2
163.14850	6.4
165.12761	3.0
171.11694	9.8
173.13281	15.9
175.14842	7.9
177.16394	8.5
179.04865	43.9
185.13330	7.8
187.05263	2.4
187.14825	11.4
189.16365	6.8
191.14354	2.4
191.17989	2.6
193.69592	2.1
199.14830	12.4
201.16408	13.6
203.18015	20.9
205.15884	3.2
207.17294	2.0
213.16426	16.0
217.15907	3.1
219.17406	3.3
227.17990	2.7
229.19579	3.9
233.05917	8.8
269.22672	26.2
287.23715	16.2
308.09064	7.3
319.20840	4.6
357.06302	2.1
362.25043	5.9
447.26764	16.5
465.27744	5.3
496.29498	2.6
519.28821	21.7
526.25360	2.3
594.31982	14.2
612.31299	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17913	1.4
52.67183	1.6
53.03950	4.4
53.07800	1.5
55.01876	3.6
55.05515	21.0
57.03440	5.9
57.07070	5.0
59.05005	1.7
65.03947	3.3
67.05512	61.3
69.07076	22.8
71.04996	2.8
71.08641	3.2
79.05506	47.0
81.07067	65.2
83.04994	3.6
83.08630	9.6
85.06561	3.8
91.05477	37.3
93.07051	44.4
95.04979	6.0
95.08622	46.5
97.06548	6.8
97.10195	5.2
99.08101	3.5
105.07039	34.9
107.05007	3.6
107.08614	28.4
109.06549	4.5
109.10168	19.4
111.04472	2.5
111.08095	2.9
115.05532	1.8
117.07043	14.7
119.08590	28.8
121.06528	2.0
121.10155	21.4
123.08089	3.2
123.11733	6.5
125.09692	1.6
128.06268	2.1
129.07033	10.4
131.08580	24.6
133.10153	24.3
135.11707	15.9
137.05989	18.5
137.13261	2.8
141.07050	2.0
142.07832	1.7
143.08592	12.0
144.09325	1.7
145.10144	20.0
147.11697	17.8
149.09648	3.0
149.13297	8.6
151.11247	3.0
155.08609	4.8
156.09410	2.0
156.72356	1.5
157.10144	13.8
159.08028	1.7
159.11707	21.0
160.63368	1.9
161.13263	10.2
163.11214	3.7
163.14838	4.6
167.38132	1.9
169.10207	6.1
171.11720	13.1
173.13269	13.3
175.11296	2.3
175.14885	6.8
176.87340	1.6
179.14380	2.5
181.10149	1.6
183.11795	5.0
185.13306	7.0
187.14940	4.3
189.16451	2.8
195.11763	3.0
197.13318	6.2
199.14893	5.4
201.16504	5.0
203.17961	3.0
207.13828	2.0
209.13248	3.5
211.14891	4.3
213.16499	3.6
215.18077	3.3
219.17392	2.7
229.19502	1.8
231.17558	1.9
235.14699	1.6
241.19682	3.9
249.18613	3.6
255.21384	1.6
257.19144	5.4
259.20551	11.2
261.22232	2.6
263.17892	1.8
267.08051	1.7
275.20081	11.5
277.18127	16.3
277.21658	4.2
333.24359	7.2
335.25848	10.7
337.27490	3.2
386.23514	1.6
505.64868	1.9
519.42255	5.3
527.37897	1.7
537.43365	2.9
593.45667	7.2
611.46857	100.0
612.47028	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	611.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
55.01874	2.0
55.05517	15.8
57.03436	3.0
57.07098	2.0
65.03961	2.1
67.05511	36.6
69.07078	15.4
71.05003	2.0
71.08662	1.5
72.81930	1.2
74.09721	1.4
79.05499	26.4
81.07066	40.0
83.08636	6.7
91.05486	25.4
93.07056	32.5
95.04961	1.6
95.08617	30.7
97.06541	2.8
97.10187	2.9
98.21558	1.7
99.08068	1.4
101.06029	1.3
103.05473	1.8
105.07033	26.8
107.08604	20.5
109.06544	2.1
109.10163	15.1
111.08109	2.1
111.11817	1.1
117.07030	11.5
119.08595	26.6
121.10154	16.4
123.08036	1.7
123.11736	3.7
127.33636	1.1
128.06253	2.0
129.07028	9.7
131.08582	20.7
133.10156	20.2
135.11703	12.9
141.07005	2.9
143.08588	11.0
144.09396	1.4
145.10129	18.4
147.11696	16.1
149.13283	6.9
151.11200	1.2
154.07889	1.1
155.08636	3.6
157.10184	10.2
158.11095	1.2
159.11713	15.5
161.13298	11.8
163.14819	3.7
167.08662	1.1
169.10092	5.1
171.11676	9.6
173.13292	10.4
175.14832	7.3
181.10161	4.2
183.11720	6.3
185.13252	10.7
187.14850	6.4
189.16463	1.9
195.11737	2.3
197.13341	4.0
199.14859	5.2
201.16418	2.5
209.13380	1.8
211.14897	2.9
213.16455	4.0
223.14803	1.3
225.16420	1.7
227.18045	1.8
229.46426	1.2
231.21201	1.5
239.17880	2.1
241.19637	7.3
243.20863	1.4
257.19177	4.1
259.20578	16.8
261.22324	4.4
277.21692	1.2
285.22241	1.5
307.18903	1.0
333.24246	10.3
335.25861	16.8
337.27643	2.5
339.26923	1.6
353.24673	1.3
362.31287	1.1
406.84726	1.1
501.40964	1.6
503.37692	1.4
519.42090	7.9
528.92242	1.1
529.39496	1.2
537.43146	3.4
551.22095	1.1
593.45520	8.4
611.46777	100.0
612.47058	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	611.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
55.01868	2.8
55.05270	2.0
55.05515	22.3
57.03436	5.0
57.07070	3.7
65.03931	2.4
67.05511	50.7
67.24205	1.0
69.07073	19.8
69.17787	1.9
69.18182	10.6
71.04996	1.6
71.08627	2.1
79.05500	38.2
81.07066	51.1
83.04985	2.1
83.08615	10.7
85.06564	3.1
89.06036	1.9
91.05487	32.5
91.06023	2.5
93.07055	40.5
94.07363	1.5
95.04977	2.8
95.08614	38.0
97.06537	3.9
97.09660	1.4
97.10149	6.8
98.21616	1.8
103.05506	1.3
105.07038	35.8
107.08606	25.1
109.06582	1.4
109.10176	15.3
110.90168	1.0
111.08123	1.3
113.09631	1.6
115.05443	2.4
117.07040	16.3
119.08598	31.0
121.10159	18.2
123.08092	1.2
123.11736	4.7
125.09721	1.4
128.06190	2.4
129.07008	10.8
130.07811	2.1
131.08577	24.7
133.10147	26.1
133.11092	1.9
135.11694	13.7
136.24620	1.2
137.13248	1.5
141.07065	3.0
142.07797	2.3
143.08575	15.3
145.10132	22.4
147.11714	17.3
149.09673	1.9
149.13283	6.8
155.07452	1.1
155.08525	6.0
157.10147	15.3
159.11717	17.4
161.09698	1.5
161.13272	11.8
163.14857	3.0
167.08595	2.6
169.10107	7.9
171.11711	14.0
173.11925	1.9
173.13272	13.6
175.14854	6.5
177.16547	1.2
179.08623	1.2
181.10214	4.1
183.11678	6.3
185.13277	10.1
187.14795	6.6
189.16469	2.2
195.11797	2.8
197.13298	6.0
198.11839	1.1
199.14798	7.3
201.16426	2.6
205.15869	1.3
207.11815	1.2
209.13332	2.2
211.14955	2.9
213.16498	5.3
215.17940	2.7
217.19630	1.7
223.14835	2.0
225.16440	2.7
227.18167	1.6
229.19678	1.7
231.21216	2.0
235.14857	2.0
239.17982	2.4
241.19589	9.4
243.21217	1.9
251.17918	1.5
257.19095	4.6
259.20596	16.1
261.22369	3.1
277.21695	1.5
283.20502	1.2
285.22287	1.4
333.24277	9.8
335.25824	17.9
337.27655	1.6
340.73456	1.1
351.26755	1.4
407.21982	2.0
463.20566	1.9
477.22363	4.3
478.22803	2.9
487.24298	2.3
491.23969	2.2
505.24811	2.4
515.23712	1.5
517.25269	2.7
519.42102	4.8
533.24554	6.7
537.43286	4.6
552.26154	1.6
561.24249	3.4
593.26752	16.3
593.45630	8.7
611.27917	45.3
611.46796	100.0
612.27411	2.3
612.46783	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	611.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.6
55.01874	3.8
55.05517	8.1
57.03436	7.6
57.07085	2.1
61.02924	8.8
62.18358	1.4
65.03925	1.8
67.05504	13.0
69.03431	19.0
69.07061	9.4
70.06586	4.5
71.04614	1.4
71.04996	27.4
71.50433	1.7
72.08180	1.9
72.59856	1.4
73.02924	3.2
75.04476	1.4
75.05648	1.4
76.58530	1.5
79.05491	16.3
81.03423	10.8
81.06591	2.5
81.07063	37.4
83.04980	4.6
83.08607	4.3
84.08138	2.2
85.02911	100.0
86.09736	3.5
87.04486	3.7
91.03962	2.9
91.05470	15.9
92.39579	1.3
93.07046	26.5
95.04960	2.6
95.08609	20.0
97.02899	23.4
97.06536	3.2
97.10189	1.9
99.04472	4.7
105.04401	2.1
105.07037	33.7
107.04967	2.2
107.08605	36.4
109.02886	6.7
109.06508	4.2
109.10162	17.3
111.04487	2.2
111.08144	1.4
111.11699	1.8
115.03951	1.8
115.05450	2.5
117.07013	4.6
119.07809	2.4
119.08587	27.4
121.06499	1.6
121.10139	19.0
123.08057	4.2
123.11700	4.2
125.09632	7.7
127.03927	13.4
128.06190	1.9
129.05466	7.4
129.06967	3.6
131.08589	12.4
133.02432	1.4
133.10135	17.1
135.08061	1.7
135.11684	13.7
142.07761	4.3
143.08585	7.8
144.09343	3.5
145.04964	14.7
145.10135	26.3
147.06480	2.3
147.11693	16.4
149.09645	2.1
149.13268	5.5
151.11226	2.3
155.08517	1.5
156.09352	3.0
157.10101	16.7
158.10870	1.8
159.11711	22.8
161.09628	1.7
161.13252	13.7
163.06062	2.2
163.11186	2.0
163.14876	3.2
165.12709	2.0
169.10121	3.6
171.11668	10.0
173.13272	12.8
175.14825	8.0
179.14238	1.9
181.10199	2.0
183.11725	2.5
184.12608	1.5
185.13249	7.0
187.14835	10.0
189.12794	1.7
189.16426	4.3
197.13312	1.8
199.14830	11.6
201.16402	8.0
202.54935	1.5
206.11845	1.7
211.14838	3.6
213.16389	12.6
215.14310	1.4
217.15915	2.0
225.16327	2.1
227.17966	7.9
229.19574	3.7
241.19272	1.5
267.21021	4.4
269.22659	27.3
285.22067	8.2
287.05579	3.8
287.23688	12.7
303.23056	6.9
419.11600	1.9
431.27869	1.9
446.53552	1.9
510.59982	1.5
611.31885	3.0
625.02716	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	611.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.3
55.01869	3.6
55.05514	10.6
57.03438	8.3
59.48126	2.3
61.02941	9.7
62.95432	1.8
67.05513	13.4
69.03429	21.4
69.07065	9.2
70.06594	4.6
71.05001	22.4
71.50645	2.4
72.08141	3.7
73.02912	6.6
79.05498	15.0
81.03436	9.6
81.06587	3.3
81.07061	46.1
83.04968	5.4
83.08583	3.3
85.02914	100.0
87.04470	5.8
87.98331	2.1
91.03934	2.4
91.05483	17.4
93.07047	23.0
95.04988	5.6
95.08614	28.5
97.02885	24.7
97.06487	2.5
98.61375	2.1
99.04480	5.0
104.96871	2.4
105.07050	31.1
107.08607	34.7
109.02865	9.6
109.06513	4.7
109.10165	16.6
117.07025	5.7
119.08606	28.1
120.15285	1.9
121.10153	19.4
123.11710	6.0
127.03948	17.3
128.06244	2.3
129.05496	8.1
129.06969	4.6
131.08592	15.2
133.10184	16.6
135.11710	12.7
142.07782	3.0
143.08580	10.9
145.04967	14.0
145.10117	20.4
147.11705	17.5
149.13297	10.6
151.11159	3.0
155.08521	3.1
156.09386	3.4
157.10139	19.5
159.11710	20.3
161.09642	2.4
161.13269	12.6
163.06030	2.8
163.14886	3.4
169.10127	3.7
171.08171	2.0
171.11725	14.8
173.13306	14.8
175.14890	10.3
183.11783	3.2
185.13275	11.5
187.14845	7.0
189.16454	3.2
191.14371	2.3
197.13200	3.7
199.14796	11.6
201.16403	14.2
211.14836	3.4
213.16470	11.4
214.17032	2.0
223.25992	1.9
227.17943	7.1
229.19531	6.6
241.19453	2.2
245.19118	2.2
255.21298	2.6
267.21063	3.8
269.22681	37.5
285.22018	4.9
287.23694	16.7
303.23221	8.3
353.24777	2.1
395.25974	2.7
413.26788	2.5
431.27875	2.4
449.29037	3.4
611.32043	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	611.3122
Annotation	Liensinine
Peak:m/z	Relative Intensity
52.97157	0.5
53.03917	0.6
54.91313	0.5
55.05497	0.9
56.05027	1.3
58.06576	2.1
60.04502	1.2
60.90498	0.5
61.02893	0.6
64.97096	0.4
69.03436	0.7
70.06595	11.7
71.50304	0.5
71.50700	0.7
72.08157	5.9
79.05502	0.6
81.03449	0.6
82.29144	0.5
84.04498	3.6
84.07706	0.6
84.08147	7.7
84.10826	0.5
85.02876	1.5
85.08452	0.8
86.09709	5.9
91.05472	2.0
93.07019	0.7
95.04948	1.1
97.02890	0.6
98.06068	0.6
101.07124	1.3
102.05529	1.2
103.05419	0.7
105.07012	0.9
107.04961	14.5
110.06055	0.5
110.07195	2.4
117.07007	1.0
119.04911	1.0
120.08105	6.4
121.06490	3.6
121.08385	1.1
121.38892	0.5
123.04401	0.7
126.03745	0.5
127.35973	0.5
129.10245	5.1
130.06531	0.6
131.04898	0.8
132.05699	0.6
133.06480	1.1
135.04408	0.7
135.08028	1.1
136.07532	1.5
137.05975	0.7
143.04828	0.6
143.11806	0.7
144.05705	1.0
144.08095	1.4
145.04977	0.5
145.06422	2.7
145.08870	2.3
146.07254	1.4
146.09624	0.8
147.04333	0.8
147.07965	0.7
148.07571	1.5
149.08324	1.3
151.07579	2.8
153.01764	1.0
155.08185	0.7
157.06270	0.6
158.07256	3.1
159.04401	1.0
159.07999	1.2
160.07581	2.5
161.05989	0.9
161.08350	1.9
162.09164	5.5
163.07539	0.8
165.09114	2.0
167.08519	0.7
169.13246	0.7
173.08296	0.7
173.12869	0.7
174.06853	2.8
174.09178	7.5
175.07477	0.7
175.09946	3.7
176.07115	1.2
176.10722	9.1
177.07915	3.3
177.11397	0.5
181.06378	0.8
188.10773	1.1
189.09149	5.5
189.10857	0.6
190.08650	10.1
191.09468	6.5
192.10204	2.4
194.07280	0.6
195.08115	2.1
204.10201	1.9
206.11774	85.6
207.08052	1.3
207.12114	0.5
209.09598	1.8
211.07466	0.9
215.13986	0.9
217.13483	0.7
219.14903	1.0
221.09633	1.1
223.07481	2.3
224.08279	1.4
225.09190	2.4
226.09787	0.6
235.07610	1.6
236.08269	0.8
237.09106	3.8
238.09799	1.6
239.10674	2.8
240.11470	2.7
249.09219	0.8
251.10757	1.4
252.11450	4.5
253.08662	0.6
254.09332	1.0
255.10184	1.3
266.11847	1.4
267.10205	1.6
269.11624	1.6
280.09778	0.7
282.11407	1.9
283.12170	0.7
287.05508	40.4
288.05838	1.1
296.12869	1.1
297.13675	1.2
298.14563	0.9
310.14548	0.6
329.12823	0.6
372.15659	0.6
374.17627	0.7
402.17386	0.6
414.17020	0.7
444.18106	1.2
446.19708	5.6
449.10727	4.5
458.19574	1.5
460.21268	1.4
461.22144	1.6
471.23218	0.8
473.24493	1.1
474.22687	0.9
489.23904	9.3
503.25427	2.6
566.25470	0.9
568.27026	3.7
579.28412	0.7
580.26770	3.4
611.31183	100.0
612.31586	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	611.1606
Annotation	Cyanin
Peak:m/z	Relative Intensity
57.03441	0.7
57.46307	0.7
61.02933	4.6
69.03416	2.0
71.10720	1.2
73.02905	1.6
85.02908	10.2
91.03970	4.7
97.02901	4.4
111.00823	1.4
121.02846	3.6
127.03919	1.9
137.02313	0.8
145.04956	2.6
153.01843	4.9
163.05997	1.3
165.01846	1.0
183.02867	1.0
185.06024	0.9
196.81534	0.7
212.35782	0.8
213.05408	1.4
231.06541	0.8
238.86255	0.7
258.05161	1.0
287.05515	100.0
298.03802	0.8
299.05573	4.3
311.05438	1.3
325.06921	1.2
329.06604	3.3
353.06619	2.3
365.06531	0.8
398.51266	0.8
413.08582	1.3
431.09561	1.1
449.10803	2.5
611.30554	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21121	0.1
51.08715	0.1
53.03940	0.4
55.01871	0.3
56.05033	0.2
57.03440	0.4
61.02930	0.9
68.99801	0.6
69.03097	0.2
69.03438	2.0
70.06599	3.0
70.31110	0.6
71.04980	0.2
71.22921	0.2
72.08157	0.7
73.02905	0.3
79.05533	0.2
81.03422	1.3
84.04504	0.6
84.08142	1.0
85.02917	5.8
86.09702	0.7
87.04481	0.2
91.03963	0.3
97.02901	2.3
98.06060	0.2
98.20862	0.2
99.04478	0.4
102.05599	0.2
105.03420	0.2
107.04958	0.3
109.02890	0.5
110.07171	0.2
111.00818	0.5
115.08714	0.2
115.44668	0.1
116.07094	0.3
120.08103	0.3
121.02877	2.6
126.03777	0.3
127.03922	1.1
129.10226	0.3
130.05035	0.3
131.99403	0.2
133.02812	0.4
137.02354	0.7
145.04961	0.8
145.06454	0.2
147.04407	0.5
147.07649	0.4
153.01849	3.2
157.06487	0.4
161.05913	0.2
165.01855	1.4
183.02885	0.9
185.05952	0.4
213.05478	1.1
213.12376	1.4
225.46968	0.2
231.06538	0.5
241.05058	0.7
249.14119	0.2
257.04099	0.2
258.05264	0.9
259.06027	0.3
287.05524	100.0
288.05893	1.2
303.05087	0.2
371.12073	0.2
399.11398	0.5
449.10855	5.5
496.17078	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1612
Annotation	Cyanin
Peak:m/z	Relative Intensity
56.05019	0.2
57.03434	0.3
59.40073	0.1
61.02934	3.9
61.24492	0.1
67.01841	0.1
68.99804	0.3
69.03432	0.7
70.03256	0.3
70.03655	0.2
70.06586	0.7
71.04971	0.1
72.08151	0.3
73.02924	1.1
75.81213	0.1
81.03409	0.3
84.08141	0.3
85.02442	0.2
85.02911	3.2
86.09708	0.2
87.04468	0.2
91.03957	2.1
97.02894	2.1
100.39353	0.1
105.03382	0.2
107.04973	0.2
108.69817	0.1
109.02863	0.2
111.00799	0.5
115.03929	0.2
121.02879	2.3
127.03933	0.7
133.02858	0.3
137.02342	0.6
145.04959	0.3
145.06464	0.2
147.04402	0.5
153.01837	3.1
157.06470	0.4
165.01830	1.5
171.04446	0.2
175.03970	0.2
183.02873	0.6
185.05981	0.4
203.07037	0.1
213.05464	1.1
213.12340	0.2
231.06538	0.6
236.67641	0.1
241.04872	0.8
258.05188	1.0
259.06003	0.5
269.04428	0.1
276.89102	0.1
287.05511	100.0
288.05847	1.1
299.05576	0.2
329.06870	0.2
353.06506	0.2
449.10834	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	611.1608
Annotation	Cyanin
Peak:m/z	Relative Intensity
51.57780	0.1
57.03430	0.2
61.02930	3.7
65.03953	0.1
67.04076	0.1
68.99796	0.4
69.03441	0.9
70.89723	0.4
73.02916	1.1
81.03419	0.3
85.02911	4.1
91.03963	2.2
97.02907	2.0
99.04501	0.2
103.03926	0.2
105.03373	0.2
107.04978	0.2
109.02882	0.3
110.52812	0.1
111.00811	0.5
115.03966	0.2
121.02877	2.4
127.03912	0.8
133.02864	0.5
137.02327	0.6
145.04976	0.6
147.04434	0.6
153.01831	2.6
157.06535	0.2
165.01825	1.3
166.90424	0.1
171.04414	0.2
183.02904	0.5
185.05971	0.3
189.05516	0.2
201.05434	0.1
213.05515	1.0
217.30121	0.1
231.06482	0.6
241.04939	0.7
258.05276	0.9
259.06030	0.4
279.65387	0.1
287.05518	100.0
288.05841	1.2
299.05588	1.0
304.67776	0.1
307.05603	0.1
311.05524	0.2
313.07150	0.2
325.07312	0.2
329.06564	1.3
353.06659	0.9
365.06567	0.2
395.07523	0.2
413.08459	0.2
431.09616	0.4
449.10858	9.3
478.14740	0.2
550.84131	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.9
53.03949	3.6
55.01868	2.5
55.05515	12.2
56.75898	0.4
57.03440	10.5
57.07054	1.7
59.05012	2.1
61.32251	0.4
64.28547	0.4
64.59511	0.4
65.03937	2.9
67.05508	40.9
69.03397	1.5
69.07072	12.5
69.14965	4.6
71.05014	2.3
73.06538	0.4
77.03923	1.1
79.05499	42.2
81.03432	2.2
81.07063	40.8
81.07757	0.5
83.04996	3.0
83.08618	5.4
85.06553	3.0
88.07713	0.4
91.05486	50.7
93.07050	48.5
93.07592	0.9
95.01335	0.9
95.04978	6.4
95.08611	28.2
96.08922	0.5
97.06526	4.1
97.10160	2.7
98.21521	1.0
99.04463	3.0
99.08055	1.3
103.05422	1.3
105.04495	1.8
105.07037	31.9
106.04256	0.4
107.04966	4.6
107.08602	23.3
109.06521	7.1
109.10165	9.9
111.08093	2.3
113.09629	0.8
115.05415	1.5
116.06241	0.6
117.06256	0.8
117.07030	13.3
119.08587	26.5
121.06512	2.2
121.10152	16.6
123.08109	2.9
123.11717	2.4
125.09595	0.7
128.06155	0.9
129.07031	3.0
130.07796	0.6
131.08574	22.0
133.10138	20.5
135.08076	2.8
135.11703	10.1
137.09628	2.7
137.13184	0.5
139.07613	0.4
141.06996	0.9
143.08542	2.5
145.10136	13.5
147.08003	0.6
147.11697	9.4
149.09621	3.3
149.13284	2.8
151.11182	1.3
151.54243	0.5
153.12720	2.2
155.08557	1.0
157.10100	2.1
159.11716	8.6
161.09589	0.9
161.13274	2.7
163.11159	1.7
163.14806	1.1
169.10106	1.4
171.11711	1.4
173.13274	4.2
175.11188	0.7
175.14807	1.6
177.12721	1.0
179.14308	2.0
183.11661	1.6
185.13316	3.4
187.11188	0.7
187.14856	0.8
189.12717	0.7
191.14279	0.5
197.13222	0.9
199.14803	0.9
201.16377	4.1
203.14253	3.3
209.15416	0.8
211.14685	0.5
213.16446	0.5
217.15878	0.9
219.17448	100.0
220.17790	1.3
225.16240	0.5
239.17972	1.3
243.20842	0.6
247.20628	1.1
257.19067	4.0
261.22180	1.3
275.20078	29.7
293.21115	1.5
335.25931	0.7
349.23804	1.3
543.40106	1.0
609.27264	2.8
609.45148	37.3
610.45636	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.7
53.03954	1.8
53.83258	0.7
55.01862	2.5
55.05515	16.2
57.03439	2.9
57.07067	3.1
59.04993	1.2
63.05449	0.9
65.03931	1.4
67.05509	29.9
69.07076	11.9
71.04990	2.2
71.08613	1.3
71.51005	1.1
79.05500	20.2
81.03419	1.2
81.07061	26.9
83.05003	2.2
83.08624	6.6
85.06538	1.2
91.05491	19.3
93.07049	22.5
95.04939	1.6
95.08609	24.0
97.06540	3.3
97.10181	4.9
99.08090	1.3
105.07041	19.7
107.05037	0.9
107.08604	12.6
109.06507	1.8
109.10157	9.5
115.05459	2.4
117.07029	10.0
119.08588	15.4
121.10143	8.1
123.08073	1.3
123.11710	2.3
125.09659	1.6
128.06229	3.8
129.07021	10.6
130.07809	1.5
131.08575	14.9
133.10129	11.1
135.11685	4.1
137.09619	1.0
141.06979	6.9
142.07759	2.8
143.08554	13.2
144.09322	1.0
145.10141	17.8
147.11716	6.0
149.09650	1.5
149.13310	3.3
153.07019	1.4
154.07831	0.9
155.08553	11.5
156.09372	1.5
157.10136	16.1
157.11314	1.2
159.11714	10.0
161.13333	3.9
163.11166	1.0
163.14922	1.1
165.07060	1.4
167.08603	5.3
168.09358	1.9
169.10121	13.9
171.11674	11.3
173.13271	7.1
175.14861	1.8
179.08598	3.1
180.09470	0.9
181.10120	8.2
182.10994	1.3
183.11703	13.0
183.13196	0.9
185.13264	10.1
187.14897	3.3
189.16380	1.9
189.88307	0.9
193.10197	2.3
194.10973	1.2
195.11694	10.3
197.13306	10.2
199.13342	1.1
199.14900	5.7
201.16437	1.3
205.10202	0.9
207.11674	2.4
209.13274	7.5
211.14777	6.2
213.16415	4.2
215.18033	1.5
219.11717	1.2
219.17603	1.0
221.13370	3.0
223.14822	5.4
225.16391	4.8
227.17984	2.7
229.19684	1.4
233.13287	1.3
235.14922	2.4
237.16417	2.4
239.18056	2.7
241.19740	1.7
249.16447	1.6
251.18015	2.7
253.19560	1.9
257.19113	2.5
265.19580	1.4
267.21176	2.0
275.20135	2.7
279.21051	1.3
289.19434	0.9
295.20691	1.0
295.24490	1.0
301.21777	0.9
309.22165	0.9
311.23770	2.0
321.22128	1.8
327.23154	1.2
337.25259	1.6
349.25415	1.4
351.27008	2.0
365.28610	1.2
382.31650	1.0
391.30219	1.0
407.29245	1.6
433.19940	1.2
447.21851	1.4
447.32544	1.3
448.22299	0.9
453.33435	1.0
475.35446	1.1
499.39594	2.0
517.40466	12.8
519.24237	1.0
521.24615	2.0
535.41565	7.6
539.37024	1.7
549.24585	1.2
565.42407	0.9
573.42902	2.4
591.26135	1.7
591.44275	13.6
609.26709	23.1
609.45184	100.0
610.45563	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	609.2711
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
50.79487	0.4
53.03959	0.4
55.05511	2.0
55.69186	0.4
57.07083	0.6
59.04995	0.8
67.05508	5.3
69.07073	1.5
71.04974	0.6
71.51477	0.6
79.05502	4.2
81.07047	3.8
83.08622	1.3
85.06569	0.5
91.05476	3.4
93.07044	3.7
95.04961	0.6
95.08617	3.6
97.06544	1.1
101.12507	0.4
105.07034	3.2
107.08609	1.8
109.10178	1.6
117.07031	1.9
119.08580	2.6
121.10144	1.2
123.11729	0.5
129.07007	1.0
131.08606	2.1
132.08986	0.5
133.10144	1.7
135.11752	0.8
143.08603	1.6
145.10153	2.5
147.11723	1.1
155.08496	0.6
157.10159	1.0
159.11711	1.5
161.13246	0.8
163.11249	0.5
169.10149	0.8
171.11729	1.0
173.13347	1.1
183.11656	0.7
185.13309	0.8
195.11644	0.6
239.17953	0.5
257.19113	1.0
275.20139	2.7
335.25879	0.8
389.18057	0.5
405.20676	1.5
415.19223	1.6
417.21832	0.6
419.18076	1.1
419.22684	1.5
427.20041	0.5
429.20999	2.3
430.21530	0.9
431.18292	0.9
433.24060	1.8
434.20865	0.5
443.22552	1.6
444.23691	2.2
447.17380	0.8
447.22015	1.8
448.22577	1.3
449.23648	1.1
457.19977	0.6
458.24655	0.8
459.21472	3.6
460.22742	2.1
461.19748	3.6
461.24356	1.4
462.20792	1.6
463.21442	1.3
468.37741	0.9
472.22632	2.1
473.23517	1.1
475.25705	0.9
476.22147	5.0
477.22992	2.1
485.23569	1.7
487.25058	3.3
489.22845	1.3
493.26227	0.7
503.24631	1.9
505.18866	0.6
505.25772	0.7
511.37823	0.5
519.24109	1.9
521.21039	2.4
531.23962	21.1
532.24603	0.9
549.24957	12.7
549.33148	0.9
550.26361	0.5
563.26532	1.3
591.26178	3.1
609.27069	100.0
609.44873	5.7
610.27466	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	609.2712
Annotation	Trigonosin C
Peak:m/z	Relative Intensity
55.05508	1.0
67.05503	1.3
69.07063	0.7
70.63616	1.0
70.63969	0.4
79.05492	0.9
81.07063	1.6
86.82652	0.3
91.05499	1.0
93.07039	1.3
95.08618	1.4
97.06556	0.3
105.07018	0.7
107.08584	0.5
109.10207	0.3
110.75760	0.4
119.08595	0.9
121.10191	0.5
129.07021	0.6
131.08540	0.5
133.10158	0.7
135.11682	0.5
143.08583	0.6
157.10187	0.5
159.11665	0.5
159.53603	0.4
173.13301	0.4
183.54735	0.3
197.13217	0.4
275.20013	0.5
277.13492	0.5
389.17712	0.9
391.19269	1.5
392.19995	0.6
401.18076	1.0
402.18481	0.8
403.19415	1.9
405.16724	0.3
405.20938	2.7
406.21951	0.5
407.22403	1.3
415.19476	1.1
416.20389	0.7
417.16235	1.9
417.21387	1.3
418.17676	0.7
419.13281	0.4
419.23114	2.7
420.23181	1.6
429.21561	0.6
430.17407	1.9
431.17987	3.0
432.19470	1.4
433.20251	7.4
434.21130	1.0
435.21777	0.6
443.18814	1.6
444.19342	1.9
445.19949	4.3
446.20920	3.3
447.22003	5.5
448.22568	1.3
457.20654	0.5
458.20975	6.3
459.21930	4.0
460.22998	4.0
461.18964	0.6
462.20227	0.6
463.20810	2.9
471.21515	0.7
472.22778	0.9
473.23636	1.0
475.21628	1.7
476.21997	1.4
477.23138	1.8
489.19281	0.5
490.23849	0.8
503.24725	0.7
517.22540	0.9
518.23065	3.7
519.23907	9.6
520.24323	0.7
521.22339	1.8
531.23999	1.6
532.24799	1.1
535.23486	0.6
548.24652	0.6
549.24951	4.5
550.25421	0.4
579.25861	0.6
591.26111	12.0
592.26727	0.8
609.27094	100.0
609.44580	3.5
610.27185	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	609.2707
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.36264	0.6
53.67871	0.6
75.53289	0.6
76.62338	0.6
76.93015	0.6
95.54976	0.6
98.20744	1.5
118.96990	0.6
126.43028	0.6
223.12309	1.0
224.13174	0.8
229.48912	0.7
237.13942	0.8
251.15511	0.8
290.38922	0.6
301.57849	0.6
376.17120	1.1
377.17703	2.0
389.18216	1.8
390.18546	1.5
391.19019	3.5
392.20044	3.4
399.15979	0.7
401.17764	1.8
403.19473	1.7
404.20557	1.8
405.21014	5.4
406.21786	3.6
407.22421	5.4
413.17706	1.3
414.18454	1.1
415.19269	3.3
416.20154	0.9
417.21274	1.1
418.21878	0.9
419.18304	1.6
419.23141	1.4
420.23145	1.5
421.24014	5.6
427.19180	0.9
429.20926	4.3
430.21729	2.1
431.18127	0.8
431.23141	0.9
432.19501	1.4
433.20288	2.9
434.25000	0.7
442.21674	1.5
443.22333	2.0
444.23138	2.2
445.20544	1.6
446.21170	1.2
447.17294	3.8
448.18457	0.8
449.23679	1.1
457.24652	4.0
459.22092	3.8
460.22723	2.2
461.19119	7.0
462.20425	3.3
463.21188	1.8
470.21304	1.1
471.18076	1.1
472.22739	2.1
473.19662	1.1
474.20676	1.6
475.21011	11.3
476.21884	8.0
477.22400	7.5
478.24008	1.1
479.24524	1.4
485.23666	10.6
486.20013	4.3
487.25418	1.1
488.21976	1.3
489.22849	7.5
493.23340	0.8
494.26871	1.1
499.21146	3.2
500.22131	2.8
503.24493	8.1
504.24875	1.3
507.23926	1.2
513.22913	2.2
515.24408	10.1
517.22247	0.9
521.26172	4.0
531.23981	17.8
532.24274	1.0
535.23059	1.1
541.22253	0.9
549.24896	1.9
550.26025	4.8
551.29309	0.7
559.23438	7.8
577.24683	1.9
591.26068	37.9
592.26440	1.1
609.27087	100.0
610.27533	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	609.2708
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
50.97966	0.3
52.27158	0.3
57.84201	0.4
60.75465	0.3
62.59074	0.3
63.94827	0.3
64.50231	0.3
69.07085	0.4
71.15841	0.7
79.05497	0.4
89.00249	0.4
89.06049	0.7
91.05485	0.4
92.52962	0.3
93.06991	0.4
119.57202	0.4
132.49001	0.3
138.60880	0.3
145.10150	0.4
150.32359	0.3
211.12331	0.4
217.41730	0.3
222.29514	0.4
237.13988	0.6
239.15372	0.4
252.76730	0.4
374.16403	0.5
375.16483	0.7
376.17276	0.5
377.17752	0.6
378.18454	0.5
388.17773	0.7
389.18353	0.7
390.18961	0.9
391.19278	2.5
392.20285	1.7
393.20724	0.5
400.17233	0.5
401.17770	0.4
402.18613	0.7
403.19672	0.8
404.20609	0.8
405.20972	3.2
406.21713	2.1
407.22430	3.1
413.17642	0.7
414.18436	0.7
415.19293	2.0
416.20065	0.5
417.20828	1.1
419.18527	1.2
419.22617	1.3
420.23239	1.1
421.23935	3.7
422.24713	0.8
427.19266	0.9
428.20377	0.4
429.20929	2.4
430.21909	0.6
431.18820	1.0
432.19363	0.7
433.19827	2.0
433.24536	1.1
442.21860	0.4
444.23102	0.9
445.15714	0.5
445.21283	0.7
446.21289	0.6
447.18292	2.2
448.18799	0.6
449.23514	1.2
451.21811	0.5
457.24573	1.8
459.17242	0.4
459.22189	1.1
460.22363	1.4
461.19135	5.9
462.20471	2.0
463.21393	1.2
472.22824	0.8
473.19485	0.7
474.20425	0.8
475.21252	8.6
476.21899	5.4
477.22458	4.5
478.23639	0.5
479.24316	0.7
484.19016	0.6
485.23529	5.6
486.20288	2.0
487.20981	0.9
488.22110	0.9
489.22913	4.6
494.26581	0.6
497.23456	0.5
499.21124	3.6
499.26877	0.4
500.21973	1.1
503.24576	5.9
504.21338	0.9
505.22452	0.8
507.23853	0.8
513.22864	1.1
515.24512	5.4
517.22528	1.8
518.22028	0.4
521.26300	2.6
531.24011	9.1
535.23621	0.7
541.22479	0.7
548.24878	0.5
549.24976	1.6
550.25702	3.7
559.23431	4.0
563.26465	1.3
577.24475	2.0
591.26056	13.0
592.26563	0.5
609.27094	100.0
610.27930	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	607.2916
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
68.19842	0.5
85.04836	0.6
85.40678	0.4
97.65128	0.5
98.20705	0.8
104.66070	0.5
108.81973	0.5
190.44174	0.5
387.16217	1.3
388.17020	0.6
389.17664	1.1
401.17810	1.1
402.18597	1.7
403.19348	4.5
404.20218	1.4
405.20935	1.5
415.19247	1.7
416.20227	1.5
417.16342	0.8
417.21262	6.3
418.21674	3.4
419.22098	4.3
430.17453	0.9
431.18069	8.7
431.23660	1.0
432.19073	1.3
432.24030	1.0
433.24075	10.9
434.24591	1.4
445.19781	12.7
446.20862	4.9
447.21786	4.6
449.23550	0.8
459.21646	6.1
460.22577	18.9
461.23431	19.5
462.23526	0.9
473.23489	4.2
474.24182	2.3
477.23074	0.9
487.25122	2.5
488.25220	0.5
491.24466	1.0
492.25067	1.3
505.21698	3.4
506.26990	0.6
519.28424	2.5
532.24573	1.3
547.27100	60.8
548.27631	2.3
575.26355	1.7
579.29596	0.9
607.29169	100.0
608.29547	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	608.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35487	1.1
53.03947	3.8
55.01876	4.6
55.05513	2.9
55.36342	1.0
56.05031	2.5
57.03440	1.9
60.42019	1.1
67.05514	10.7
68.05057	1.5
69.03438	6.9
69.07080	5.8
70.06598	15.9
70.64095	2.9
70.64468	2.7
71.05002	3.7
72.04518	1.5
72.08169	4.2
73.02921	1.3
79.05504	10.7
80.05029	2.1
81.03428	11.9
81.07072	16.2
81.87539	1.1
82.06581	1.9
83.04990	12.9
83.08631	1.9
84.04511	10.1
84.08156	11.2
85.02915	7.7
85.06555	2.3
86.06057	1.8
86.09721	2.8
91.05500	9.6
93.07053	21.9
94.06568	11.8
95.04982	25.2
95.08622	9.3
96.04513	5.0
97.02911	8.2
97.06527	11.6
98.06053	3.6
99.04481	7.3
102.05582	1.4
105.03378	1.6
105.04564	1.4
105.07032	13.4
107.04965	2.2
107.08593	12.5
109.02892	8.2
109.06520	7.7
109.10183	2.1
110.06046	3.7
111.08069	12.7
112.03982	36.6
112.07610	7.1
112.08707	1.2
113.06035	2.1
114.05540	15.5
119.08579	7.9
121.06506	14.4
121.10214	2.2
122.06052	9.5
123.04443	24.4
123.05338	1.5
123.08150	2.1
123.11740	3.9
125.05995	13.1
127.03935	9.3
127.07598	2.8
129.07037	1.6
129.10271	5.3
131.08624	2.8
133.10127	7.6
135.04524	1.9
135.08057	7.7
136.07616	3.5
137.05984	2.2
139.07527	5.9
140.07080	75.7
141.05511	4.0
143.07060	9.0
143.08560	3.4
145.04958	1.5
145.10104	2.5
147.04439	3.0
147.08046	1.9
147.11708	19.8
149.13290	2.0
151.11203	3.0
156.06602	1.7
157.08821	1.4
157.10150	5.6
158.08142	65.6
159.06560	2.7
159.21039	1.3
161.13309	3.4
165.12764	6.6
169.12234	10.1
171.11659	7.5
173.09677	2.2
175.11191	13.7
176.09196	92.3
181.10078	1.4
187.06094	4.4
189.12758	9.8
193.12273	13.3
199.11209	6.7
205.07088	2.4
206.07677	1.1
207.13829	2.8
211.13286	9.6
217.12280	18.4
218.10269	2.1
229.14449	4.3
235.13312	21.4
235.15598	1.5
248.09116	1.8
253.14377	19.2
266.10486	2.1
271.15482	3.6
333.55539	1.2
379.17752	2.0
397.18488	2.2
415.20056	1.3
536.24957	1.8
572.27563	3.3
590.28192	11.4
608.29193	100.0
609.29388	2.4
635.48767	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2911
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
50.66578	0.4
60.94749	0.4
69.93579	1.6
79.30126	0.4
81.99072	0.4
267.74783	0.4
389.17706	0.6
402.18481	0.5
403.19257	1.9
405.20883	1.1
415.20016	0.6
417.21347	2.4
418.21484	1.4
419.22421	2.3
430.17712	0.5
431.18121	5.3
432.19077	1.0
433.24103	6.8
434.24869	1.1
445.19830	5.2
446.20795	3.4
447.21762	4.0
449.22952	0.5
459.21655	4.0
460.22562	12.2
461.23346	12.5
473.23587	3.2
474.24323	1.3
487.25232	2.0
488.25800	0.7
491.25107	0.5
492.25287	0.7
505.21982	3.5
506.27216	0.5
515.24396	0.6
518.23126	0.5
519.24280	1.7
519.26984	1.6
532.24811	1.2
533.25159	0.5
547.27106	31.9
548.27838	0.9
575.26459	0.7
579.29858	0.9
607.29169	100.0
608.29120	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2552
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
52.35087	0.3
69.75540	1.9
93.07037	0.5
98.21492	0.6
102.61098	0.3
147.96167	0.3
157.96243	0.3
164.91458	0.3
195.30225	0.3
211.12279	0.4
312.14877	0.3
353.71304	0.4
373.14563	0.3
374.15366	0.8
375.16095	0.9
386.16589	0.4
388.16904	1.0
389.17801	2.5
390.18442	1.3
391.19235	1.4
401.18069	0.6
402.14136	0.4
402.18881	0.8
403.14899	0.6
403.19476	3.8
404.20029	1.9
405.20886	3.5
407.22195	0.3
416.16385	1.3
417.16385	4.3
417.21219	1.6
418.16916	1.6
418.22342	0.7
419.22482	5.6
420.23459	0.8
430.17825	1.3
431.18347	7.4
432.19009	3.5
433.20126	4.0
445.20303	5.6
445.25763	0.5
446.21033	7.9
447.21744	8.2
448.22998	0.4
449.19598	0.5
458.20911	0.4
459.17365	0.8
459.22260	1.2
460.23209	0.5
461.19830	1.3
462.24762	0.7
463.25534	0.7
473.19562	0.5
473.23523	1.0
474.20425	5.2
474.26563	0.4
475.21033	4.6
477.22922	1.1
478.23434	0.9
487.21338	1.4
488.22046	0.6
490.24100	0.5
491.20126	3.0
501.22934	1.2
504.21588	0.5
505.22339	1.0
519.24091	16.5
520.24615	1.0
532.21198	0.5
533.21960	0.5
547.23468	11.8
548.23871	0.4
551.26733	0.7
575.22717	0.5
579.26105	5.8
607.25562	100.0
608.25793	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2552
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
76.47492	0.5
77.61471	0.5
80.51128	0.6
91.93360	0.4
93.89967	0.5
94.76024	0.5
97.51217	0.4
107.86019	0.5
115.12098	0.5
127.44995	0.5
128.25908	0.5
209.10779	0.6
267.11572	0.5
375.16153	1.2
388.17529	0.7
389.17767	2.4
390.18393	1.1
391.19357	1.4
401.17999	0.7
402.18716	1.1
403.14941	0.6
403.19562	4.0
404.19995	1.7
405.20734	2.7
416.16272	1.4
417.16318	4.7
417.21466	1.9
418.17264	0.9
418.21838	1.4
419.22449	6.9
420.23029	0.6
429.17169	0.6
430.17764	1.0
431.18271	7.2
432.19070	3.0
433.20090	3.2
445.20230	5.2
446.21060	7.8
447.21780	7.9
448.22787	0.6
459.17438	1.0
459.22729	0.9
460.18463	0.9
461.19922	1.3
462.24792	0.5
473.23932	0.5
474.20392	5.6
475.21106	4.8
478.23566	0.9
487.21228	1.4
490.23816	0.9
491.20007	2.7
501.23080	1.2
505.22375	0.8
519.24097	14.6
520.24146	0.7
547.23468	12.8
579.25995	6.2
607.25568	100.0
608.25952	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	607.2555
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
59.04957	0.4
60.06766	0.4
67.05445	1.1
69.07021	0.5
70.81102	1.0
79.05462	0.7
81.06989	0.8
91.05401	1.1
93.07021	0.6
95.08555	0.8
105.06979	0.6
113.63699	0.3
119.08459	0.5
121.10146	0.4
133.10042	0.5
145.09998	0.5
190.80086	0.3
209.10625	0.6
211.86848	0.3
223.12392	0.4
237.10298	0.5
247.12270	0.4
268.14246	0.3
275.19943	0.4
300.14978	0.4
324.14862	0.4
374.15488	0.7
375.16422	0.8
376.17612	0.4
377.17432	0.4
387.16122	0.9
388.16565	1.9
389.17679	3.9
390.18323	1.4
391.19180	1.4
401.17670	1.2
402.14166	0.9
402.18527	1.5
403.19449	6.7
404.20251	2.6
405.20834	3.2
406.21143	0.4
413.18051	0.5
415.15048	0.6
415.19791	0.6
416.15594	2.5
416.20981	0.7
417.16013	4.8
417.21002	3.8
418.17676	1.3
418.21680	1.6
419.22476	9.6
420.23022	0.6
429.16629	0.8
430.17889	1.5
431.18298	10.7
432.18726	2.8
433.20236	3.2
434.21246	0.6
441.16544	0.5
443.18875	1.1
444.19415	0.4
445.14804	0.4
445.20276	8.1
446.21082	8.0
447.21722	11.4
448.22537	0.8
459.17752	1.9
459.22183	1.8
460.23038	0.7
461.19846	1.4
462.25079	0.4
463.25854	1.7
473.19177	1.1
473.24191	1.0
474.20425	11.7
475.21210	13.3
476.20926	0.5
477.22968	0.7
478.23709	0.6
487.21362	3.0
488.22229	1.0
490.23965	1.8
491.20804	1.6
491.25894	0.6
501.22552	1.7
505.22128	0.7
506.23462	0.6
518.22968	0.5
519.24066	13.9
529.22699	0.9
532.21112	1.1
547.23444	74.1
548.23840	2.5
561.24976	1.1
575.23859	0.5
579.26074	4.5
589.24536	0.9
607.25562	100.0
608.26056	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	606.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	0.4
51.02362	0.4
53.03943	2.9
55.01863	1.2
55.05518	4.3
55.36924	0.3
56.05017	0.6
57.03441	2.3
57.07067	0.8
60.04502	0.4
61.02920	0.3
65.03939	1.7
67.05508	10.7
68.05041	3.1
69.03091	0.5
69.03432	7.0
69.07068	4.7
70.02937	0.6
70.06599	3.1
71.05001	1.6
71.50604	0.4
72.08136	0.8
73.02909	1.0
77.03918	0.8
79.05499	32.5
80.05019	6.2
81.03423	10.7
81.07063	33.2
82.06562	0.9
83.04988	3.7
83.08623	2.0
84.04504	0.8
84.08134	1.2
85.02910	3.9
86.09689	0.4
87.04455	0.7
91.05487	13.9
93.07048	32.5
94.06564	0.6
95.04980	8.4
95.08613	17.1
96.04504	0.7
96.08140	0.8
96.08976	0.3
97.02899	2.5
97.06533	5.5
97.10178	1.7
98.06062	19.9
99.04461	3.4
100.07619	0.7
101.06061	0.3
103.05466	0.8
105.04557	1.4
105.07038	21.5
106.06525	0.5
107.04970	6.1
107.08601	20.4
109.02889	3.8
109.06538	2.3
109.10164	10.7
110.06039	0.8
111.04430	1.3
111.08089	1.3
115.05430	0.6
116.07089	2.5
117.07021	3.6
119.05003	0.4
119.08590	26.0
121.06535	2.8
121.09225	0.5
121.10152	26.1
123.08075	2.8
123.11717	3.8
124.07610	6.6
125.05998	44.7
125.09633	1.1
126.05526	1.1
126.09167	0.8
127.03960	1.7
128.06181	0.9
128.07071	0.6
129.05511	0.4
129.07030	1.7
129.10262	0.5
130.07768	0.8
131.08574	6.7
132.08063	0.3
132.09398	0.4
133.10144	11.0
134.05983	0.3
135.07040	0.4
135.08073	2.8
135.10703	0.4
135.11696	7.2
136.03999	0.3
136.07556	0.3
137.05989	0.6
137.09630	1.6
137.13309	0.5
140.07074	0.8
141.07016	0.7
142.08643	100.0
143.07037	1.0
143.08585	3.3
144.09311	0.9
145.06512	0.5
145.10129	10.7
147.08035	1.2
147.11693	9.3
148.07529	0.3
149.09631	3.1
149.13260	6.6
151.11183	0.7
152.07149	0.4
153.09056	0.5
155.08549	1.5
156.09346	0.9
157.10143	5.3
158.08157	0.4
158.10895	0.7
159.08093	0.8
159.11699	10.6
160.09702	54.6
161.09567	1.6
161.13266	5.6
162.09111	0.5
163.11220	0.9
163.14838	4.6
165.09222	0.3
166.08701	0.6
167.08636	0.3
168.09361	0.4
169.10132	2.8
170.10886	0.4
171.11711	4.1
172.12422	0.4
173.04442	0.3
173.09666	0.7
173.13264	5.6
175.11221	1.6
175.14830	3.5
176.07298	0.5
176.44943	0.3
177.12766	0.7
177.16435	0.7
178.08621	1.1
181.10129	0.9
183.11752	1.9
184.09744	1.0
184.12361	0.3
185.09599	0.5
185.13284	2.8
187.11244	0.9
187.14836	5.7
189.09123	0.4
189.12746	1.6
189.16408	5.3
190.08636	0.4
191.14343	0.9
195.11652	1.0
197.13246	2.6
199.11180	0.5
199.14856	2.0
201.12744	0.9
201.16402	2.7
202.10753	1.3
203.14339	0.8
203.17947	1.2
204.10222	1.1
205.15895	0.9
206.08131	1.4
208.09605	0.3
209.13300	0.9
211.14824	3.1
213.07683	0.5
213.16310	1.6
215.14357	1.1
215.17889	0.7
217.12198	0.3
217.15932	0.9
221.13379	0.3
222.11205	0.7
223.14798	0.7
224.09190	0.5
225.16368	1.5
227.14494	0.5
227.17973	1.6
229.15912	1.1
229.19527	1.8
231.13940	0.4
232.09711	3.9
233.15329	0.4
235.14931	0.3
237.16356	0.7
239.09077	0.5
239.14496	0.3
239.17981	0.7
241.19447	0.6
243.21104	0.6
245.15688	0.3
250.10788	4.2
253.19560	0.3
255.21153	0.6
257.15460	0.4
257.18945	0.5
257.19885	0.4
257.22684	3.6
265.19635	0.7
267.21060	4.2
268.11911	0.8
269.19348	0.3
269.22672	0.5
283.20676	0.8
285.22147	6.6
286.12881	0.5
293.13959	0.4
297.22345	0.4
301.21719	0.4
303.23282	0.4
304.13687	0.4
375.23071	0.4
393.24368	1.2
411.25333	2.2
429.26373	3.6
447.27411	4.3
508.31039	0.3
526.32098	0.4
538.29810	0.3
544.32465	0.4
552.33252	3.0
570.34393	2.4
588.35345	6.7
606.36444	18.2
607.36969	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.9
55.05516	14.4
57.03440	2.3
57.07090	2.7
58.99572	6.2
64.06107	2.1
65.03939	4.1
67.05511	29.4
69.03415	8.0
69.07077	17.2
70.67534	4.2
70.67872	1.9
74.00681	4.1
76.02238	2.4
79.05502	33.7
81.03436	2.8
81.07063	59.5
82.21930	1.9
83.04954	3.4
83.08608	5.9
85.01145	3.7
85.02921	13.9
86.00657	7.1
87.02694	2.5
88.02224	32.7
88.03445	1.6
88.03989	14.5
91.05488	32.3
93.07053	100.0
95.04971	5.2
95.08619	67.6
97.02903	3.7
97.06538	5.4
97.10164	4.0
99.02702	9.9
99.08146	2.4
100.02210	6.7
101.00592	3.0
101.04228	3.0
105.04520	3.6
105.07046	61.6
107.08607	85.4
109.06519	6.3
109.10162	50.9
111.02670	13.4
113.04238	3.7
117.07028	5.0
119.08597	50.6
121.10152	46.8
122.02718	10.8
123.11722	20.0
125.04208	3.6
126.03657	2.3
127.03865	3.1
129.03717	3.4
129.07030	4.5
131.08583	14.8
132.01186	13.8
133.10138	40.1
134.02747	10.8
135.07864	2.0
135.10703	3.6
135.11705	60.9
137.09625	4.8
137.13252	2.6
143.08577	7.5
145.10132	27.8
146.02704	8.1
147.11714	37.0
149.13268	17.1
151.05751	3.0
157.10130	10.3
159.11707	30.2
161.13275	24.8
163.14844	6.2
165.12804	2.2
167.65962	2.1
171.04689	2.6
171.11729	11.1
172.04356	3.0
173.13304	20.1
174.05861	3.9
175.14856	14.3
177.16382	7.9
185.13239	8.7
186.05852	7.1
187.04248	4.9
187.14848	15.3
188.07341	2.4
189.16425	7.9
191.17886	2.2
195.12003	2.3
199.14868	10.3
200.07394	10.9
201.16475	10.4
203.17957	6.7
204.06824	3.0
206.08472	2.4
211.14844	2.9
213.16362	14.3
215.17950	3.8
217.19519	15.8
227.17960	5.5
241.19638	2.3
268.13812	3.4
269.22687	43.2
274.14749	3.6
287.23892	2.6
301.19855	4.4
319.20953	7.7
345.22635	2.9
346.25684	2.3
390.24597	27.5
408.25708	39.1
426.26657	21.8
444.27734	18.5
500.86768	2.1
555.36444	2.1
606.33044	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	605.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
55.01875	1.9
55.05511	10.1
57.03434	1.9
57.07066	4.1
59.04991	4.2
65.03943	2.5
67.05507	31.9
69.03437	10.6
69.07082	15.2
69.20778	13.1
71.04993	3.8
76.96756	1.9
79.05502	13.4
81.03416	5.3
81.07063	27.6
83.04996	9.6
83.08629	7.7
85.02895	3.1
91.05486	10.0
93.07052	15.5
95.04974	4.0
95.08607	39.4
97.02854	2.5
97.06528	2.5
97.10196	2.8
98.20724	2.9
99.08096	3.7
105.07035	14.4
107.08600	29.8
109.06533	8.8
109.10163	98.5
111.08078	4.1
113.09641	1.9
117.06998	3.1
119.08585	42.0
121.10143	16.9
123.08076	13.2
123.11727	7.5
125.09603	2.2
128.06221	1.6
131.08549	4.5
133.10138	24.3
135.11702	100.0
137.09627	14.8
139.11194	1.6
140.61691	1.7
143.08502	2.8
145.10098	3.9
147.11673	4.8
149.09712	2.1
149.13261	5.5
151.11232	8.0
151.14825	9.3
153.12730	3.8
157.10242	1.8
159.11671	2.3
165.16357	2.7
169.10049	1.9
175.14824	41.2
185.13319	1.8
193.15891	59.0
199.11140	2.0
211.14911	3.1
211.16934	40.3
215.18011	1.9
238.61443	1.7
260.77026	1.6
377.23395	1.9
545.25385	5.5
605.27399	3.6
605.42645	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	605.276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72688	0.4
55.05510	1.1
57.78300	0.4
67.05504	3.0
69.03424	0.9
69.07066	1.2
70.97082	1.1
73.58713	0.5
79.05475	2.0
80.35477	0.4
81.03393	0.9
81.07092	2.4
81.07484	0.4
83.04987	0.4
83.08598	0.7
91.05476	1.6
93.07038	1.9
95.08609	1.6
97.06556	0.5
101.32195	0.5
105.06984	1.2
106.58849	0.4
107.08577	1.0
109.10151	1.0
117.07037	0.5
119.08595	0.9
121.10132	0.8
131.08548	0.6
133.10088	0.9
145.10109	0.9
147.11662	0.6
159.11790	0.6
165.09163	0.6
275.19983	0.9
288.16144	0.7
313.27448	0.8
360.15112	0.5
374.16525	0.9
386.15677	0.7
387.16403	0.6
388.18015	1.1
389.18756	0.7
396.14658	0.6
398.16104	0.6
399.16086	2.9
400.16925	2.1
401.17548	2.1
402.19159	0.8
410.15649	0.6
412.17310	1.0
413.17575	4.1
414.18472	5.5
415.19366	4.7
416.20676	1.3
427.19406	3.7
428.20090	6.1
429.21017	16.1
430.22134	2.7
441.20892	1.2
442.22034	2.8
443.22571	10.3
444.23413	6.4
445.19708	2.2
455.18771	1.5
456.19305	2.0
457.19116	2.0
457.23807	5.1
458.24979	10.5
459.21762	7.6
460.22598	1.8
462.20386	0.6
468.63055	0.5
470.21344	3.0
471.22256	3.4
472.22815	9.8
473.23834	3.3
474.24103	1.2
476.22250	2.7
483.18018	0.8
484.17838	1.0
485.23502	14.2
486.24991	4.1
487.21057	1.0
488.21970	1.8
498.20068	0.5
499.21371	1.6
500.22037	1.6
501.22891	1.3
502.23413	1.4
503.24213	1.5
513.22815	3.2
514.23590	0.7
517.26019	10.1
518.19348	2.1
530.23511	0.8
533.25159	0.9
545.25531	100.0
546.25830	3.2
558.22931	0.5
559.22620	0.7
561.25000	8.1
573.25012	17.2
577.24219	0.6
605.27692	54.0
606.28003	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	605.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.3
57.07079	0.5
59.05001	0.4
63.98024	0.2
67.05498	0.9
69.07069	0.4
71.08624	0.3
71.28574	0.4
79.05493	0.6
81.07059	1.0
83.08614	0.3
85.10136	0.2
91.05502	0.4
93.07052	0.7
95.08607	0.7
95.36597	0.2
97.10185	0.3
104.94669	0.2
105.07033	0.4
107.08555	0.3
109.10210	0.2
115.86952	0.2
119.08570	0.3
121.10184	0.2
131.08540	0.3
133.10168	0.4
177.12820	0.2
191.82484	0.2
195.39793	0.2
221.10745	0.2
269.24655	0.2
275.20090	0.4
293.20935	0.3
313.27505	0.4
322.13510	0.3
386.16486	0.2
387.16528	0.2
388.18121	0.3
389.18408	0.3
399.16193	0.4
400.17233	0.7
401.17691	1.3
402.18756	0.6
402.89200	0.2
403.18985	0.2
412.17917	0.4
413.17676	1.1
414.18689	1.5
415.19263	5.0
416.19968	2.3
417.20911	0.6
418.22095	0.2
427.19446	0.8
428.20306	1.3
429.20840	9.5
430.21613	5.0
431.22516	1.5
432.23453	0.2
433.24045	0.7
442.21652	0.6
443.22687	4.6
444.23621	6.6
445.24307	4.7
446.24820	0.4
448.26297	1.2
455.18771	0.3
456.19690	0.9
457.20105	1.6
457.24631	1.0
458.25491	3.0
459.21301	2.3
459.25748	3.3
460.21948	0.5
470.21234	0.5
471.22079	1.5
472.22675	3.8
473.23444	6.3
474.24319	2.7
475.21597	0.2
476.22162	0.7
485.23398	4.8
486.24316	1.7
487.24988	23.4
488.25980	1.7
489.23102	0.9
490.23544	0.3
499.21262	0.3
500.21805	0.7
501.22855	0.5
502.24194	0.4
503.24533	2.4
504.24960	0.9
507.41080	0.3
513.22778	0.7
514.23633	0.4
517.26483	3.2
518.23712	0.8
530.23566	0.4
531.23962	0.8
532.24896	0.4
545.25513	18.1
546.26215	3.6
573.25043	2.0
577.28131	0.7
587.46497	0.3
590.25201	0.4
605.27600	100.0
606.27747	3.0
629.30670	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05468	0.4
59.04922	0.4
65.95226	0.4
67.05445	0.7
69.07011	0.5
71.51623	0.6
72.64937	0.3
79.05413	0.4
81.06966	1.1
87.04430	0.4
91.05418	0.7
95.08525	0.7
97.10110	0.5
98.13042	0.4
105.06919	0.4
106.77993	0.3
109.10092	0.5
163.11060	0.4
177.16611	0.4
197.97498	0.4
227.39383	0.4
257.10687	0.3
275.19983	0.7
352.14261	0.4
374.16333	0.6
385.14572	1.0
386.15625	0.7
388.18088	1.3
389.18622	0.7
390.19583	0.4
398.15845	1.0
399.16068	3.1
400.16763	2.4
401.17651	2.2
402.19867	1.8
403.19891	0.5
404.20917	1.3
411.15845	0.5
412.17371	1.2
413.17667	5.4
414.18491	6.7
415.19339	5.9
416.20221	1.0
417.21710	0.5
425.18045	0.6
426.19247	0.7
427.19437	4.8
428.20108	7.2
429.20892	19.4
430.21716	2.9
431.22842	0.7
441.16296	1.0
441.21024	1.3
442.22260	2.8
443.22598	13.1
444.23367	7.4
445.19434	0.5
445.24429	0.6
455.18552	2.2
456.19409	2.4
457.19098	1.7
457.23798	6.1
458.24890	11.5
459.21704	8.0
460.22736	0.7
470.21396	2.6
471.22656	2.3
472.22675	9.2
473.23807	2.9
476.22159	2.7
483.17795	0.7
484.18460	0.8
485.23520	16.3
486.25113	5.6
487.20941	1.1
487.25708	0.5
488.22137	1.3
490.23370	1.2
498.20251	1.0
499.21350	1.2
500.22150	1.9
501.23230	0.6
502.23801	1.3
503.24387	2.1
513.22766	3.0
514.23688	0.9
517.26099	10.2
529.25897	1.0
530.23090	0.6
545.25519	100.0
546.25830	2.9
573.25037	18.0
574.25458	0.7
605.27649	52.3
606.27771	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	604.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	6.0
59.05006	100.0
61.02949	0.3
68.97101	0.4
69.03443	1.4
70.06599	1.0
71.15179	0.7
72.08175	0.6
72.72704	0.3
76.45362	0.4
81.03417	0.6
81.07075	0.6
84.08167	0.7
85.02916	3.0
87.04484	0.7
93.07085	0.4
97.02909	1.0
99.04489	0.4
99.08111	1.5
101.09684	1.5
115.07613	2.0
117.09139	40.9
127.03956	0.8
130.14999	0.3
147.04462	0.6
169.50475	0.4
175.13315	19.5
179.62018	0.4
187.53716	0.3
193.14488	1.1
233.17502	8.2
251.18584	3.5
291.21863	1.1
309.23022	1.1
337.75183	0.4
367.26965	0.9
418.97275	0.4
425.31091	11.0
425.36859	0.6
512.53113	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	31.5
56.05038	16.9
58.99572	9.2
63.60568	6.9
65.03972	7.0
70.06600	87.3
70.79550	6.4
71.49660	9.0
72.08159	95.7
74.06068	18.6
83.08625	19.6
84.04498	26.7
84.08150	91.8
85.02901	16.2
86.09716	100.0
86.23093	6.4
88.03933	10.9
89.10802	15.8
98.06051	41.0
110.07174	10.4
112.08748	9.9
115.08701	28.9
116.01687	32.7
123.04481	14.5
129.10251	58.5
130.04974	7.6
133.02844	6.8
135.04471	8.1
144.01146	22.7
147.04379	9.1
162.02205	68.1
163.03915	38.3
166.90302	7.6
173.12892	7.1
187.03944	10.3
219.01494	7.6
221.05948	13.2
250.13071	7.8
262.11121	44.7
279.13766	26.5
295.06000	19.7
297.07599	33.4
323.05411	18.2
411.15479	26.9
497.34396	8.0
526.10565	7.3
603.20758	33.2
603.34473	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	13.9
57.03452	6.5
62.29309	5.0
63.24673	6.0
63.61866	5.7
64.13239	5.5
65.85390	5.4
67.05500	30.7
68.35059	5.6
69.03435	11.6
69.07073	13.1
69.39365	43.0
70.06605	9.7
72.08128	11.7
73.02925	6.3
79.05487	20.4
81.07050	33.5
83.04955	6.8
83.08599	7.6
85.02914	22.1
89.06033	30.9
91.05471	15.9
93.07044	22.8
95.08609	39.5
97.02923	6.7
97.06547	12.4
97.10188	9.1
105.07010	32.5
107.08602	40.8
109.10162	43.5
111.08093	10.9
115.05439	7.5
117.06131	6.5
117.07017	12.5
119.08574	24.8
120.79244	6.6
121.10191	19.2
123.11703	8.7
123.57462	6.0
125.05992	20.0
125.09657	13.4
129.06987	16.2
131.08565	23.2
133.08623	15.0
133.10149	19.8
135.11714	11.9
142.07785	7.4
143.08543	29.3
145.10139	27.2
147.11681	17.3
149.13278	7.8
153.09119	16.2
155.08607	43.3
155.10643	10.9
156.09261	7.2
157.10146	70.8
159.11676	40.4
161.13289	12.3
167.08560	6.4
168.09302	6.0
169.10112	19.1
171.11720	19.1
173.09686	7.6
173.13345	11.5
175.11162	7.6
177.12766	6.4
179.08585	8.7
181.10172	16.0
183.11719	23.7
185.13251	16.9
187.14928	11.5
193.10069	9.1
195.11723	23.5
197.13254	33.6
199.11108	7.0
199.14732	7.7
207.11752	12.1
209.13261	29.5
209.89688	5.8
211.14812	15.9
221.13358	8.0
223.14804	9.7
225.16457	7.8
235.14763	13.7
237.16446	12.2
239.14848	19.2
240.15408	10.7
247.14827	6.8
249.16365	7.1
250.17041	5.7
251.17850	34.5
253.19536	14.4
267.17371	8.2
277.19568	12.2
291.21085	10.2
387.26846	18.8
405.27890	100.0
406.32501	22.3
407.29605	13.5
423.28986	47.6
441.29892	27.6
451.27823	6.5
603.34497	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	603.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.5
55.05271	1.4
55.05518	18.3
56.01387	2.5
56.05054	1.2
58.47643	1.0
67.05490	2.0
69.03423	2.6
69.05800	2.3
70.06599	26.7
71.49692	2.3
72.08164	45.7
79.05515	1.5
83.04996	3.4
84.04517	5.2
84.08156	11.4
85.02903	2.5
86.09713	11.8
89.03946	1.5
89.10799	4.3
91.34284	1.1
95.04968	1.5
97.02912	1.5
98.06066	57.9
102.05555	2.0
105.03377	1.2
107.04961	3.4
110.02412	2.0
110.07238	1.0
111.04446	2.5
115.08702	45.5
116.07095	1.5
117.03389	2.7
119.69909	1.2
120.08080	1.1
123.04443	12.4
127.08673	2.4
129.10228	5.9
130.05014	1.3
133.02844	10.7
134.03641	3.9
135.04428	10.3
136.05202	7.3
136.07579	1.3
137.02388	1.4
137.05995	1.8
138.05502	1.2
139.03951	1.3
141.10220	1.3
145.02864	3.7
147.04431	4.1
151.03900	3.4
152.07115	3.0
159.04488	1.7
161.02351	4.4
162.03194	2.2
162.05632	1.2
163.03926	43.4
164.04469	1.2
165.07037	4.1
169.09723	3.1
173.02399	1.5
177.07115	1.6
178.05002	1.9
187.03935	6.8
191.03427	3.5
193.06514	4.2
198.08606	1.1
201.12416	1.5
205.06519	3.6
211.07596	2.5
215.14047	1.4
221.06017	16.8
221.10605	1.3
223.07645	2.3
232.09697	3.8
233.06001	3.1
233.10551	3.4
234.11249	12.3
239.07066	3.7
249.05489	25.4
249.12369	2.7
250.06047	1.4
250.13168	22.1
251.06953	2.4
251.13870	6.3
260.19595	1.4
261.05518	2.2
267.06464	6.9
277.05002	15.1
278.05908	1.2
279.06622	7.8
295.06021	41.2
297.07611	26.8
305.04337	5.5
323.05530	100.0
324.05688	1.3
341.06662	2.3
394.12802	1.9
411.10052	2.4
411.15518	45.4
429.16510	2.6
471.19568	1.6
482.19019	1.5
497.10812	2.7
557.21576	2.3
585.20734	14.5
586.19049	5.2
603.21796	67.7
603.33508	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	602.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01867	0.8
55.05281	1.0
55.05524	14.0
57.03429	0.9
57.07074	3.5
61.02929	0.9
67.05518	7.4
67.46336	0.8
69.03429	3.2
69.07077	27.6
70.06606	4.9
70.70796	1.8
71.08630	2.5
72.08159	2.9
73.06557	1.9
76.02218	1.3
77.83328	0.8
78.01789	1.1
79.05491	1.6
81.03448	1.1
81.07069	7.9
83.08635	11.4
84.04518	1.3
84.08144	2.7
85.02924	11.5
85.10208	1.4
86.09720	1.5
87.04482	2.7
87.60246	0.8
89.06042	66.5
91.05495	1.8
93.07059	1.8
95.08608	9.0
97.02900	2.9
97.10181	17.2
99.70246	0.7
105.06992	1.3
107.07079	1.7
109.02896	1.2
109.06489	1.0
109.10190	4.1
111.11747	8.0
116.07113	2.0
117.18862	0.7
119.08587	1.3
123.11713	2.0
127.03925	1.0
130.04999	0.8
130.08664	0.7
131.08580	0.7
133.08623	33.5
145.04974	1.4
145.10117	1.1
151.09692	2.1
162.02226	1.3
177.11273	8.5
179.04892	2.2
181.04468	1.5
195.12265	1.2
221.13896	2.4
239.14917	25.0
255.23274	7.0
299.26010	3.7
308.09158	1.2
361.29733	2.3
405.32166	100.0
406.32458	1.8
423.33194	11.7
469.87881	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.01865	2.2
55.05514	8.6
56.05032	1.0
57.07072	1.7
57.98799	0.9
58.99588	10.6
60.15572	0.6
61.79730	0.5
65.03941	0.8
67.05510	19.7
69.03438	0.7
69.06729	1.0
69.07073	9.5
69.27889	3.0
69.28306	2.0
70.02966	1.0
70.06612	0.9
71.04984	1.1
71.94120	0.5
73.01131	0.9
74.00673	5.6
76.02238	18.9
76.03994	2.4
77.03897	0.7
79.05497	26.3
80.05038	0.7
81.03378	1.0
81.07067	24.5
83.04968	1.6
83.06136	2.7
83.08627	5.2
84.04045	1.0
84.04511	12.5
84.08119	0.9
85.04034	1.2
85.06550	1.3
86.99046	5.0
88.02203	1.8
89.06030	0.7
91.05486	16.4
93.07053	37.9
95.04983	1.4
95.08618	17.2
97.01127	1.4
97.06519	1.6
97.10164	3.3
99.02682	0.8
99.05573	1.8
99.67422	0.6
103.05454	0.8
105.04521	1.4
105.07044	15.2
105.47973	0.6
107.04966	0.9
107.08601	24.9
109.06517	1.7
109.10154	7.2
111.02660	1.2
112.04018	0.7
113.03495	0.6
113.04227	1.0
114.03780	0.7
116.01684	20.8
116.02512	1.1
117.07014	5.1
119.07796	0.5
119.08584	11.4
121.10155	15.5
123.02660	1.3
123.08034	0.8
123.11723	1.9
125.04176	1.7
129.06824	2.7
130.05022	7.0
131.08583	7.0
133.10167	7.8
135.07983	0.5
135.11707	21.5
137.04202	1.8
137.09624	1.0
139.05681	0.6
141.07048	1.1
142.03214	4.6
143.08566	3.0
144.01157	9.0
145.06078	2.6
145.10115	6.7
147.11688	9.0
149.04239	0.6
149.09592	1.6
149.13275	11.7
155.08582	0.7
157.10075	3.1
159.11732	5.1
161.13284	4.5
162.02220	42.1
163.11255	0.9
163.14847	3.2
165.07367	0.6
169.10107	1.1
170.02734	1.9
171.11703	3.7
173.13284	3.6
175.11241	1.3
175.14854	2.1
177.03293	1.5
179.04874	14.1
179.08896	0.6
181.06114	1.5
185.03819	1.1
185.13278	3.3
187.05296	0.7
187.14868	0.9
189.12857	1.3
193.12112	0.7
195.13853	1.1
199.14775	0.9
203.14217	1.0
207.13783	1.7
209.15327	1.2
213.16498	0.9
215.17876	0.7
221.15439	1.6
224.16382	1.7
231.04422	1.1
231.20959	0.6
233.05927	1.7
235.16953	1.8
241.19502	2.6
245.05920	2.6
249.18550	0.7
257.19067	1.1
259.20599	7.6
275.20132	4.6
277.21649	100.0
278.22061	1.0
286.05441	0.7
289.16177	1.7
291.17825	3.3
295.22678	1.4
301.21527	0.8
307.17169	1.4
308.09109	4.1
309.18817	5.4
334.21994	2.5
335.20456	2.8
352.22949	4.9
353.21506	0.9
362.21405	1.1
370.24136	21.0
420.21936	2.3
438.23148	5.7
455.25800	16.5
456.24286	2.6
473.26886	22.9
509.26944	1.2
527.27844	12.3
539.27380	0.8
584.30231	3.4
602.31000	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	602.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38460	0.4
53.03950	0.9
55.01861	1.5
55.05512	5.5
56.05033	1.0
57.07088	0.9
57.17808	0.5
57.18913	0.4
58.99591	1.3
59.05009	1.0
60.18166	0.5
62.63069	0.5
65.03936	1.0
67.05513	18.4
67.22960	0.4
69.07076	7.3
70.06596	1.4
70.40185	1.8
71.08634	1.0
74.00679	3.0
75.72949	0.4
76.02227	1.6
76.76465	0.5
79.05077	0.5
79.05505	6.8
80.05025	1.6
81.03413	1.3
81.06592	0.8
81.07066	15.1
81.37624	0.5
83.04987	1.6
83.06108	2.1
83.08619	1.2
84.04507	4.9
85.01140	1.0
86.00665	2.5
86.09718	0.7
86.99036	0.7
87.02715	0.7
88.02236	1.0
89.06026	1.1
91.05489	5.8
93.07051	9.3
94.06557	1.4
95.04987	1.8
95.08614	13.4
97.01123	1.8
97.06523	1.7
97.10191	1.4
99.01421	1.6
99.05564	0.9
100.02216	1.5
105.07053	3.5
107.06105	0.6
107.08598	4.3
109.06567	1.0
109.10181	4.1
110.47460	0.5
111.02670	1.0
111.08101	0.7
111.11745	0.7
112.02186	3.8
113.00639	0.9
113.02950	0.6
114.03770	5.2
116.01675	4.5
117.07011	1.4
119.08591	4.3
120.08108	0.7
121.10165	3.4
123.02647	0.5
123.08054	0.9
123.11698	1.2
126.03798	0.9
127.81444	0.5
129.06685	1.5
130.05048	1.5
131.08630	1.4
133.08652	0.7
133.10103	2.6
135.11707	2.0
137.04195	0.8
137.09612	2.9
137.13277	3.0
139.11171	0.6
140.01587	0.7
140.05266	0.8
143.02718	0.9
143.08609	0.7
144.01152	0.9
145.06087	0.9
145.10130	1.6
147.11710	1.6
149.13277	1.2
150.12793	0.8
151.11188	0.6
151.58514	0.5
153.06485	0.6
158.02910	0.5
159.11768	0.7
161.13246	1.6
162.02222	1.4
162.12805	0.7
164.14392	0.5
165.12759	0.9
166.29933	0.5
167.14250	0.5
169.04266	0.7
169.10321	0.5
171.11548	0.5
173.13251	0.5
179.04852	0.9
179.08893	0.9
179.14244	0.6
181.06085	0.7
185.03818	1.8
187.05426	0.8
189.03337	0.8
196.11604	4.5
197.10069	0.5
198.13139	0.4
203.43628	0.5
215.04849	2.4
216.05615	2.3
216.10664	0.5
222.09450	0.8
224.11075	22.3
225.09393	0.8
231.04398	3.3
231.21150	0.8
233.05995	1.0
239.14787	0.6
241.11398	0.9
241.19757	0.6
242.12119	36.7
249.22112	0.9
259.20654	0.6
271.54236	0.5
277.21667	7.3
283.12958	0.6
294.24274	0.7
295.22693	4.6
298.13638	0.8
307.20975	0.7
308.09204	1.4
309.18607	0.6
325.22006	1.7
326.21606	1.4
334.21991	1.9
335.20428	3.0
343.12958	0.7
344.14038	8.4
345.14691	1.4
352.23111	12.5
353.21341	3.4
370.24121	6.4
409.25336	0.5
455.25793	100.0
456.26215	1.9
481.26807	0.7
527.27881	4.7
584.30273	0.8
602.30975	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	601.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.05511	7.5
56.62768	1.4
57.07081	9.0
59.05015	2.9
66.33941	1.6
67.05511	12.4
69.03427	9.7
69.07062	5.3
69.18108	1.4
79.05508	14.9
81.03388	1.8
81.07067	24.2
83.04989	3.0
83.08658	3.2
85.06550	4.9
91.05485	25.7
93.07057	31.5
95.04980	6.3
95.08624	19.8
97.06544	3.9
98.21560	3.1
103.05453	1.9
105.04559	1.7
105.07046	37.4
107.08602	18.5
109.06535	12.9
109.10166	8.9
116.06270	1.7
117.07069	8.2
119.08590	38.5
119.09374	3.1
121.06505	4.5
121.10155	18.8
123.08083	17.8
123.11684	2.1
125.05980	4.6
128.06221	2.3
129.07004	6.3
130.07849	4.7
131.08580	16.0
133.06476	3.0
133.10144	22.0
134.10588	1.6
135.08076	9.7
135.11720	5.1
137.09662	13.8
141.07022	2.2
142.07779	5.2
143.08571	14.4
144.09320	4.6
145.06480	2.0
145.10127	29.2
147.08031	21.0
147.11731	7.2
149.09596	5.1
151.07567	13.7
155.08604	5.6
156.09335	4.7
157.10152	19.7
158.10779	3.2
159.08064	3.3
159.11694	17.1
161.09615	5.1
161.13266	7.2
163.11218	6.1
165.07024	3.2
165.09142	43.8
168.09309	2.4
169.10159	9.6
170.10931	3.2
171.11758	9.5
173.09631	3.8
173.13287	7.6
175.11218	5.1
175.14865	8.6
179.08583	2.3
181.10135	4.4
181.12271	9.2
183.11684	7.6
185.13274	6.1
187.11203	3.0
187.14848	5.1
189.12807	3.3
192.09308	2.4
193.10246	2.8
193.12244	2.8
194.10941	2.0
195.11760	7.1
197.13307	7.4
199.11296	1.7
199.14946	1.9
201.12685	2.6
203.14403	17.3
207.11755	4.1
207.13814	7.2
209.13242	6.3
209.15237	2.7
211.14850	5.7
213.12732	3.4
221.13374	4.9
221.15379	100.0
222.15672	3.9
223.11244	1.9
223.14665	3.6
225.12788	2.0
227.14426	2.8
234.16122	1.9
235.14865	4.6
237.16411	1.9
244.57709	1.8
247.17010	4.0
249.16316	2.2
265.19464	2.3
275.20132	2.0
285.18652	2.1
286.19189	3.2
287.20218	2.6
299.20209	2.5
300.20770	4.6
301.21716	6.5
311.19839	2.0
312.20438	2.7
313.21524	2.7
325.13336	1.8
325.21533	3.2
326.21970	2.7
352.23984	2.6
353.24487	3.8
362.13147	1.6
367.26413	8.7
375.26468	2.1
393.27768	3.2
429.26859	1.9
440.29047	2.4
441.29633	4.8
491.35339	9.6
509.36102	5.7
521.36121	4.6
583.41437	11.6
601.42517	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
53.33871	1.7
53.94558	1.8
55.01853	2.1
55.05520	17.1
57.03423	2.2
57.07078	13.6
59.04997	6.9
65.03935	2.7
67.05507	28.4
69.03423	10.0
69.07079	16.7
71.08620	3.6
77.03899	1.9
79.05496	28.3
81.03404	1.9
81.07065	38.6
83.04989	4.6
83.08625	8.3
85.06548	3.9
85.10153	2.6
87.04470	3.5
89.06017	6.7
91.05485	36.3
92.05792	2.5
93.07052	45.1
94.07345	3.1
95.04991	11.4
95.08054	3.4
95.08614	35.3
95.45801	1.9
97.06527	8.4
98.20641	4.1
105.04495	2.4
105.07043	52.5
106.07356	4.4
107.05000	4.3
107.08603	33.5
108.08927	2.0
109.06554	10.3
109.10165	20.1
111.08070	3.5
113.05955	2.1
115.05447	4.1
117.07030	16.6
119.08592	51.9
120.08886	2.4
121.06522	4.8
121.10152	30.6
123.08090	18.0
123.11700	4.9
125.05974	4.6
125.09653	3.4
128.06219	5.5
129.07039	11.6
129.07797	1.8
130.07788	3.4
131.08586	25.3
133.06526	2.5
133.10136	28.7
134.10478	2.3
135.08070	16.9
135.11716	12.4
137.09651	14.4
139.11240	2.1
141.06996	3.7
142.07825	10.3
143.08586	18.3
144.09232	2.2
145.06444	2.2
145.10143	36.7
146.10483	4.6
147.08069	27.5
147.11732	9.4
149.09656	10.0
149.13220	2.3
151.07542	11.4
153.09096	2.0
155.08548	8.5
156.09331	7.9
157.10143	22.9
158.10817	4.1
159.08076	5.3
159.11710	20.7
161.09666	4.6
161.13251	8.3
163.11151	9.8
165.07004	2.3
165.09128	57.0
166.09416	3.0
167.08597	3.6
169.10152	11.6
170.10751	4.0
171.11697	15.2
173.13248	11.4
175.11180	5.4
175.14822	8.1
179.08537	4.0
180.09189	2.7
181.10092	5.9
181.12209	6.1
182.10760	3.4
183.11676	12.2
184.12262	3.5
185.09688	2.2
185.13245	10.4
187.14806	6.4
189.12915	3.6
193.10193	3.4
193.12143	3.3
194.10793	3.3
195.11717	8.5
196.12392	3.4
197.13298	10.1
199.11212	3.5
199.14844	3.6
201.16273	2.5
203.14340	15.5
207.11682	5.4
207.13814	7.8
209.13278	9.8
211.14824	4.6
213.12715	3.0
213.16324	4.5
219.13834	2.2
221.13446	5.0
221.15372	100.0
222.13673	3.3
222.15646	8.5
223.14726	3.5
225.16451	2.7
233.15385	3.2
234.16127	2.0
237.16364	3.6
241.15782	2.4
247.14732	2.9
247.16969	4.6
249.16328	2.7
273.18408	3.8
286.19263	2.4
287.20004	5.1
289.18015	4.0
299.20026	5.1
300.20779	2.5
313.21512	2.9
326.22162	2.4
352.23856	6.0
353.24289	8.1
365.24677	3.2
366.25195	2.7
367.26389	2.3
378.25583	2.0
491.35056	7.0
509.36029	6.1
520.35529	2.4
521.36066	17.8
565.40820	3.3
583.41174	10.1
601.42908	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47414	1.6
53.03934	5.0
55.01871	2.7
55.05506	10.4
57.07077	12.0
59.04995	6.9
63.58220	1.2
64.01475	1.5
65.03942	2.6
67.05510	22.2
68.05827	1.6
68.72453	1.3
69.03424	9.7
69.07070	8.3
69.58950	1.3
69.62490	9.1
71.04998	1.4
77.03938	2.1
79.05067	2.3
79.05496	26.2
79.05926	3.0
79.24960	1.3
80.05827	1.8
81.03413	2.8
81.06590	2.1
81.07062	34.5
82.07390	2.3
83.04986	7.1
83.08614	4.1
85.06549	7.8
85.85873	1.6
86.47285	1.4
87.04424	2.4
89.06033	7.1
91.05489	39.2
92.06296	2.4
93.06492	2.1
93.07052	40.0
94.07349	3.4
95.04977	10.5
95.08615	28.0
97.06544	8.5
98.20707	1.6
101.06043	3.3
103.05463	1.6
104.87811	1.4
105.04562	1.3
105.07036	65.2
106.07308	2.1
107.04961	2.1
107.08589	31.5
108.08894	2.4
109.06530	14.1
109.10173	9.9
111.08086	2.6
115.05461	2.4
115.84086	1.3
116.06252	1.6
117.07027	15.3
119.04887	2.0
119.08591	66.5
120.08853	1.5
121.06553	8.1
121.10158	24.0
122.68313	1.4
123.08072	17.8
123.11660	2.2
125.06049	6.9
125.09622	2.6
128.06227	6.7
129.07025	11.6
130.07759	5.1
131.08580	33.0
132.09335	2.8
133.06488	5.4
133.08603	4.8
133.10143	24.4
134.10487	3.0
135.08047	22.0
135.11685	9.9
137.05977	3.2
137.09639	18.3
139.07561	2.6
139.11172	1.6
141.06961	6.4
142.07776	11.5
143.08572	28.0
144.09383	6.8
145.06464	4.5
145.10138	47.2
146.10480	1.6
147.08051	31.2
147.11681	9.8
148.08611	2.0
149.09615	13.6
149.13225	1.9
151.07556	12.7
151.11122	3.0
154.07793	3.2
155.08585	11.3
156.09384	11.5
157.10136	36.6
158.10867	5.7
159.08041	8.1
159.11705	25.4
160.08835	2.0
160.12111	1.5
161.09601	12.3
161.13232	6.5
163.11208	18.1
165.06993	3.6
165.09122	43.5
166.07829	1.9
166.09361	2.4
167.08534	5.0
168.09343	6.3
169.10143	15.3
170.10925	7.8
171.08020	3.3
171.11693	16.7
172.08810	1.9
172.12378	3.4
173.09665	9.7
173.13261	9.1
175.11197	21.7
175.14838	3.5
176.11931	2.0
177.09114	4.1
177.11314	2.1
177.12744	2.7
178.09860	4.6
179.08537	4.2
180.09319	4.3
180.11377	3.5
181.10219	8.9
181.12233	17.1
182.10907	5.1
183.08087	1.5
183.11688	16.1
184.08871	2.1
184.12302	4.3
185.09592	3.2
185.13266	8.7
186.10367	1.9
186.13852	2.3
187.11118	7.2
187.14798	4.2
189.12755	9.3
190.13560	10.9
191.10701	5.9
191.14307	5.1
192.09317	2.7
193.10156	4.0
193.12239	14.6
194.10858	2.8
195.11772	8.2
195.13463	1.8
196.12427	5.6
197.09666	2.5
197.13293	12.3
198.10432	2.2
198.14040	1.9
199.11153	5.8
199.14853	4.9
201.12772	6.4
203.14345	19.4
205.12216	2.0
206.10927	2.9
207.11678	8.4
207.13824	11.1
208.12587	2.9
208.14386	7.2
209.09630	1.9
209.13264	10.9
210.13939	2.9
211.11192	6.2
211.14809	8.7
213.12883	6.7
213.16296	2.3
215.10693	1.5
215.14301	3.7
216.15039	2.3
217.12283	1.6
219.11864	2.3
219.13770	10.1
220.12373	2.1
221.13429	5.9
221.15372	100.0
221.97774	1.4
222.15817	9.3
223.11191	2.9
223.14783	6.7
225.12718	4.0
225.16379	2.4
227.14296	4.0
229.12335	1.6
229.15796	3.1
232.12396	1.7
233.13150	4.0
233.15489	4.2
234.13933	3.2
234.16107	19.9
235.14795	4.2
237.12694	3.5
237.16396	2.2
239.14372	3.3
243.13852	3.7
245.15422	3.4
246.13933	2.1
247.14574	2.7
247.16957	26.8
248.17506	3.2
249.16487	2.3
251.14357	4.2
251.18103	2.3
253.15845	1.9
257.15302	1.7
259.14636	2.3
259.16956	3.5
261.16373	2.2
263.78207	1.5
265.15933	3.3
267.17438	2.6
269.15402	1.9
271.17102	1.8
273.18518	1.9
274.19315	14.8
279.17368	3.2
281.18976	2.9
283.17087	1.9
285.18423	4.3
286.19397	3.9
287.20303	9.4
297.18448	4.4
298.19189	1.5
299.20148	14.8
300.20773	2.9
307.20526	2.6
311.20047	4.9
312.20715	7.0
313.21597	8.0
325.21652	15.1
327.23221	4.0
337.21683	4.2
339.23187	4.6
340.23972	13.3
352.23965	26.5
360.23068	1.5
365.24710	4.7
366.25363	2.5
377.24734	3.8
379.26147	4.3
387.25357	4.7
391.26297	6.1
392.27121	1.9
400.26331	2.1
405.27560	1.7
413.26624	4.9
419.29520	10.0
420.30103	3.0
425.26929	5.4
426.27625	4.9
427.28387	15.4
440.23456	2.5
440.29266	37.3
442.30826	3.0
454.31143	1.8
468.71536	1.8
494.34567	1.6
507.34622	1.8
508.35275	6.1
520.35553	27.3
521.36536	3.3
582.40973	4.1
585.39368	2.8
599.77179	1.6
600.41711	33.9
600.50641	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	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.1
53.21364	1.2
55.05516	9.8
57.03444	1.9
57.07080	12.8
59.05000	6.6
67.05506	21.3
69.03432	9.1
69.07066	8.4
69.44216	6.6
69.44641	3.1
71.04967	1.6
71.08605	2.5
74.83199	1.4
79.05141	1.5
79.05505	17.7
81.07059	32.4
82.07377	1.4
83.04984	8.9
83.08617	5.4
85.06075	1.5
85.06535	7.1
87.04461	1.9
89.06040	7.3
91.05482	30.9
92.06254	2.3
93.07047	34.2
94.07346	2.0
95.04966	11.9
95.08610	23.3
96.08985	1.4
97.06540	8.6
97.10177	2.4
103.02198	1.4
103.05477	3.0
105.07034	51.1
107.04971	2.3
107.08604	25.0
109.06519	12.7
109.10171	10.6
110.10457	1.9
111.08079	3.3
113.09718	1.4
115.05469	3.0
117.07025	18.5
119.04949	2.0
119.08585	63.1
121.06511	5.3
121.10146	26.6
122.07332	1.8
122.10426	1.8
123.08081	17.0
123.11693	3.6
125.05997	11.5
128.06218	6.4
129.07042	10.8
130.07759	4.4
131.08577	25.9
132.09331	3.2
133.06505	3.2
133.07603	1.7
133.08583	5.8
133.10144	24.0
134.07253	1.7
134.10973	2.7
135.08054	17.6
135.11717	9.7
136.08794	1.4
137.05977	2.9
137.09605	17.5
139.07504	2.3
139.56342	1.3
141.06998	3.4
142.07785	9.4
143.07521	1.8
143.08578	26.7
144.09393	8.1
145.06497	3.2
145.10129	44.6
146.07275	1.4
146.10826	2.3
147.08052	28.7
147.11717	10.2
148.08463	1.6
149.09624	14.8
149.13301	1.6
151.07558	13.4
151.11200	1.6
152.06105	1.8
153.07016	1.4
154.07820	2.0
155.08562	10.1
156.09340	10.7
157.10130	38.9
158.10910	6.1
159.08087	8.7
159.11699	25.7
160.08812	4.6
160.12413	1.8
161.09624	13.2
161.13243	7.9
163.11197	19.8
165.06972	3.3
165.09117	52.1
166.09412	2.3
167.08582	4.5
168.09338	4.3
169.10121	14.5
170.10878	6.7
171.11700	18.8
172.12430	4.7
173.09624	10.0
173.13268	10.4
174.10379	1.8
175.11169	20.8
175.14847	1.9
177.09131	4.6
177.11249	1.9
177.12706	2.9
178.09872	3.1
179.08594	2.8
179.10661	2.8
180.09390	2.1
180.11453	3.3
181.10187	10.7
181.12230	17.8
182.10907	4.9
183.11720	17.0
184.12346	2.7
185.09622	4.5
185.13263	9.7
186.14041	1.4
187.11145	6.4
187.14806	3.6
189.12747	6.9
190.13510	9.1
191.10693	6.3
191.14267	2.8
192.11462	1.8
193.10190	6.4
193.12247	14.4
194.10909	2.7
195.11697	12.5
195.13591	2.7
196.12402	4.7
197.09607	4.2
197.13304	13.3
199.11227	6.1
199.14871	2.5
200.11931	1.3
201.12825	6.5
203.14363	19.0
205.10262	1.8
206.10896	2.7
207.11693	4.9
207.13797	11.0
208.12418	4.0
208.14606	7.9
209.13243	11.7
209.15221	2.3
210.14015	3.1
211.11249	3.8
211.14694	7.0
212.15417	1.7
213.12738	4.2
213.16457	2.6
215.10657	1.4
215.14357	4.4
216.15071	1.9
217.12210	2.1
219.11742	2.9
219.13800	8.4
220.12508	1.8
220.14552	1.6
221.13318	7.2
221.15359	100.0
222.15781	7.9
223.11226	2.2
223.14825	5.0
224.15387	1.7
225.12708	4.5
225.16322	4.2
227.14403	2.1
229.15930	2.5
231.11707	1.9
231.13809	3.6
233.13280	3.3
233.15388	3.1
234.13887	2.0
234.16148	22.9
235.14771	4.8
235.16948	2.3
237.12695	5.4
237.16382	3.9
238.13283	1.9
239.14371	2.9
239.17892	2.0
240.18793	1.7
241.15910	3.2
243.13805	2.2
245.15398	2.0
247.14665	2.0
247.16960	34.2
248.17715	2.4
249.16469	2.1
251.14241	1.9
251.17891	1.7
253.15872	3.1
255.13918	1.5
255.17545	1.5
257.15451	1.7
259.17001	6.7
261.16406	2.3
265.15854	2.0
267.17532	2.2
269.15836	1.5
269.18967	2.5
271.16919	3.3
274.19315	17.4
275.17731	1.9
279.17563	3.0
281.19070	4.8
285.18646	3.0
286.19434	6.6
287.20224	12.7
293.19101	2.1
297.18509	2.5
299.20105	13.0
300.20859	4.8
309.18475	1.6
310.19345	2.8
311.20114	5.0
312.20755	8.5
313.21567	6.7
319.20770	2.5
325.21643	16.3
327.23233	4.4
337.21710	6.9
339.23209	5.8
340.23990	15.4
351.23181	2.3
352.23978	31.8
353.24731	1.8
363.23416	1.9
365.24902	6.5
366.25443	4.1
377.24545	2.1
379.26385	4.6
387.25330	4.8
391.26294	4.1
392.26822	3.3
400.26215	2.5
413.26962	6.5
419.29367	10.5
420.30023	4.9
425.27258	6.4
426.27640	4.9
427.28619	10.0
440.29236	39.3
442.30634	4.2
454.30566	2.4
505.32458	1.9
507.34787	3.0
508.35495	7.7
520.35577	30.0
521.35712	3.0
582.40363	2.2
585.39380	3.9
600.41583	36.1
600.50574	4.5
601.41992	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.8
55.01866	5.3
55.05511	29.2
56.85755	4.7
57.03442	5.0
57.07079	32.4
59.04991	14.8
67.05508	80.8
68.05833	9.1
68.35767	4.7
69.03418	15.2
69.07066	42.5
70.06592	13.2
71.05008	8.0
71.08640	10.2
79.05496	54.6
80.05833	6.0
81.07060	84.1
82.07362	10.8
83.04980	14.3
83.08620	28.5
85.06551	11.6
86.09703	5.7
89.06031	31.4
91.05487	58.0
92.05790	9.0
93.07043	85.7
94.07401	6.1
95.04958	24.3
95.05515	4.8
95.08617	92.8
96.08939	11.9
97.06529	25.6
105.06406	8.4
105.07044	100.0
106.07359	14.4
107.08597	62.8
109.06521	16.6
109.10168	51.9
110.10472	7.9
111.08087	6.0
113.09663	7.6
115.05478	7.0
117.07044	36.2
119.08594	79.9
120.08880	7.9
121.06503	23.2
121.10149	63.1
122.10487	12.7
123.08110	27.0
123.11690	14.3
125.09625	8.6
128.06232	15.1
129.07002	19.1
130.07782	8.2
131.08580	49.9
133.06375	6.2
133.08601	19.0
133.10136	51.7
133.99788	5.9
134.10501	6.7
135.08040	26.7
135.11699	19.2
137.09628	12.6
139.11188	14.1
141.06969	11.6
142.07755	16.6
143.08568	57.9
144.09323	17.8
145.06494	26.5
145.10135	70.8
146.10594	8.7
147.08026	29.3
147.11681	20.7
149.09639	14.6
151.07552	8.3
155.08560	19.0
155.10651	8.6
156.09317	18.2
157.10139	61.6
158.10823	8.4
159.08018	23.9
159.11659	35.8
160.08842	77.9
161.09547	15.3
161.13292	6.6
163.11169	14.0
165.07053	9.2
165.09117	33.8
167.08606	11.3
167.10634	7.5
169.10085	25.1
170.10927	8.8
171.11700	36.2
172.12271	7.4
173.09634	11.7
173.13257	23.5
174.13631	6.9
175.11221	21.9
175.14754	7.2
177.11208	12.0
177.12650	7.8
181.10130	11.9
181.12227	23.7
182.10747	8.9
183.11702	18.3
184.12080	7.2
184.28517	5.3
185.13226	15.7
187.07521	5.5
187.14842	9.6
189.12871	9.3
192.14609	7.0
193.10138	11.9
193.12268	10.8
194.10793	8.7
195.11681	22.8
196.12544	8.7
197.13206	22.4
198.13664	5.9
199.11249	11.7
199.14766	6.2
200.15190	7.6
201.12750	9.0
201.16371	6.5
203.14319	20.2
206.10959	7.2
207.11789	11.4
207.13812	10.1
208.14653	7.6
209.13260	18.3
210.14085	7.6
211.11139	8.8
211.14871	11.8
213.12622	6.1
215.14337	11.9
219.13800	14.3
221.13452	12.1
221.15417	85.6
222.15715	7.1
223.14754	8.2
225.12708	6.7
228.14911	6.5
233.15367	11.8
234.16074	24.6
235.14795	7.5
239.14330	5.7
247.14708	7.0
247.16989	23.0
248.17555	7.1
251.14221	6.4
273.18579	9.6
274.19318	8.1
283.26257	38.2
285.18204	6.8
286.19284	23.2
287.20013	11.8
299.20221	26.2
300.20435	10.6
300.28857	6.7
312.20679	15.4
313.21796	8.5
325.21686	10.8
340.23743	7.3
344.31491	10.4
352.24078	39.8
365.24854	8.4
366.25049	5.7
377.24606	6.1
419.29077	7.2
427.28601	6.9
440.28986	35.5
490.33981	6.9
520.35211	21.4
563.11829	5.5
582.40564	15.0
600.42505	40.8
600.55164	66.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.1
54.32509	2.1
55.01867	3.8
55.05298	2.0
55.05512	21.6
57.07079	5.5
59.04982	9.5
65.03928	6.1
67.05182	3.3
67.05509	45.1
69.03439	13.4
69.07070	21.3
69.57561	2.0
70.14782	7.0
71.04976	7.6
77.03924	3.7
79.05495	40.6
80.05836	2.6
81.03416	3.4
81.07058	42.6
83.04994	16.8
83.08644	13.2
85.06530	7.4
87.04453	3.9
89.06024	3.0
91.05486	61.3
93.07047	75.0
93.07635	4.6
95.04969	20.6
95.08607	41.8
97.06532	18.2
98.20800	2.6
103.05456	6.8
105.04501	3.0
105.07039	100.0
107.04940	5.7
107.07882	4.3
107.08595	64.0
109.06544	16.9
109.10162	31.6
111.08076	7.0
113.09658	5.6
115.05458	7.9
117.07031	26.0
118.34943	2.2
119.08587	83.6
121.06535	14.8
121.10155	52.5
123.08069	29.8
123.11651	5.0
125.06007	3.4
125.09645	12.1
128.06200	18.8
129.06995	20.9
130.07826	11.9
131.08575	55.1
132.09363	5.2
133.06482	7.5
133.07466	2.4
133.10133	51.5
135.08051	16.3
135.11696	12.8
137.09613	11.0
139.11186	4.5
141.06996	13.5
142.07813	25.5
143.08574	56.5
144.09366	15.4
145.06453	5.6
145.10138	66.7
146.10925	2.8
147.08067	19.7
147.11681	22.1
149.09631	19.4
149.13239	3.3
151.07532	7.4
151.11212	5.3
153.07004	6.5
153.09106	2.5
153.70575	2.3
154.07753	4.2
155.05977	3.2
155.08557	23.4
155.10635	10.0
156.09351	27.5
157.10139	68.3
158.10867	10.7
159.08070	18.0
159.11685	42.6
160.08882	5.8
160.12193	3.1
161.09653	15.8
161.13255	7.8
163.11188	6.4
165.07050	9.6
165.09126	9.4
165.53522	2.4
166.07741	5.0
167.08607	14.8
167.10667	16.5
168.09273	7.3
169.10141	31.2
170.10942	12.4
171.08090	5.0
171.11696	51.9
172.12395	4.9
173.09644	14.5
173.13264	25.4
175.11127	15.8
175.14816	5.5
177.09087	3.3
177.12688	2.7
178.07788	3.1
179.08554	14.8
179.10703	2.8
179.14264	2.7
180.09366	14.2
181.10117	21.3
181.12245	5.3
182.10883	10.3
183.11725	36.1
184.12383	5.4
185.09625	8.7
185.13254	25.9
186.13914	2.9
187.11153	9.8
187.14714	11.2
189.12743	11.2
190.13498	5.7
191.08577	2.6
191.14279	6.3
192.09378	6.8
193.10110	17.4
193.11989	4.6
194.10851	10.3
195.11703	27.0
196.12448	11.7
197.13313	26.3
198.13989	4.0
199.11159	10.2
199.14862	18.9
201.12819	4.1
203.14343	17.4
205.10156	4.8
205.12035	2.8
206.10809	5.5
207.11664	17.8
207.13615	5.2
208.12451	12.8
208.14548	3.5
209.13287	26.6
210.14009	3.7
211.11266	4.0
211.14822	17.5
212.15405	5.0
213.12718	10.7
213.16391	5.8
215.14348	7.5
217.10136	3.4
218.10982	4.3
218.16728	3.2
219.11703	4.8
219.13736	2.8
220.12450	6.4
221.13223	14.3
221.15392	25.0
222.13876	5.6
223.11151	3.5
223.14856	15.8
224.15443	3.4
225.12747	6.1
225.16434	8.5
227.14282	6.9
227.17975	3.4
229.10101	2.5
229.15941	2.9
231.11711	6.7
232.12352	3.4
233.13240	10.5
233.15356	18.7
234.13904	4.8
234.16035	5.4
235.14879	12.3
237.16573	13.6
239.14311	4.0
239.18031	4.7
241.15828	6.1
245.13196	4.9
246.13947	5.4
246.16248	4.8
247.14760	4.6
247.17046	3.8
249.16391	7.6
251.18001	6.0
253.15863	5.1
253.19446	3.9
255.17441	34.9
259.14752	7.3
261.16495	7.7
262.17032	2.7
263.14230	2.6
263.17932	9.5
265.19504	5.0
267.17236	3.7
268.18356	3.2
269.18893	8.7
270.19904	2.9
271.17249	3.2
271.20538	2.9
273.18542	5.2
275.17633	4.2
277.19492	3.6
279.17383	6.4
281.18967	8.9
285.18723	4.0
286.19196	3.8
287.20065	7.2
289.19733	3.7
295.20547	5.1
299.20203	4.7
303.19635	3.1
313.21484	4.0
325.21414	3.3
327.21213	3.6
333.22318	3.5
347.23776	2.6
352.24072	5.6
360.24258	4.7
364.23785	2.6
365.24765	6.7
383.25815	6.3
567.38098	3.2
581.01636	2.5
582.42200	4.0
600.41693	17.5
600.50281	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28576	2.7
53.03937	8.4
54.49283	2.8
55.01874	5.0
55.05521	21.3
57.03434	6.6
57.07076	12.7
59.05006	7.0
67.05514	41.5
69.03444	13.6
69.07074	20.6
69.80139	13.7
70.06595	36.1
71.04984	6.8
79.05501	54.3
80.05813	3.8
80.06288	2.9
81.03377	3.4
81.07068	53.4
82.07386	3.4
83.04976	18.4
83.08603	12.1
85.06533	12.1
85.85174	3.0
86.68583	2.7
87.04460	3.5
89.06039	9.0
91.05488	63.2
92.05784	3.8
93.07059	76.5
94.07362	5.5
95.04997	21.9
95.08616	48.6
96.08955	3.5
97.06544	16.3
97.10170	4.9
103.05468	6.1
105.07044	100.0
106.07334	4.3
107.04961	5.2
107.08603	63.9
108.08903	3.5
109.06541	17.9
109.10169	24.7
111.08099	6.8
115.05437	8.9
116.06345	5.6
116.07105	53.9
117.07025	25.4
119.04929	2.7
119.08588	80.6
120.08894	5.7
121.06535	16.1
121.10159	50.9
122.07319	2.8
122.10546	3.3
123.08079	27.7
123.11712	6.1
124.05116	3.0
125.05980	3.7
125.09641	5.0
128.06221	14.2
129.07033	26.1
130.07790	9.7
131.08582	42.8
133.06490	7.7
133.08551	6.6
133.10153	48.8
135.08070	24.4
135.11700	16.5
137.09604	14.8
139.11147	4.6
141.06981	12.2
142.07799	26.7
143.08594	47.3
144.09340	13.8
145.06543	8.4
145.10147	61.1
146.10701	4.7
147.08072	23.9
147.11702	17.4
149.09630	21.5
149.13321	4.2
151.07538	18.3
153.06975	2.7
153.09137	4.2
154.07793	4.1
155.08568	13.6
155.10654	5.3
156.09363	22.7
157.10138	63.4
158.10777	8.6
159.08076	16.3
159.11670	35.2
160.08836	3.8
161.09639	20.1
161.13268	8.2
163.11215	18.2
165.07002	7.2
165.09149	39.0
167.08562	10.5
167.10657	14.3
168.09332	6.6
169.10147	29.5
170.10880	11.1
171.08173	3.6
171.11719	38.6
172.12383	8.9
173.09631	12.0
173.13286	14.5
175.11215	24.5
175.14789	8.7
179.08565	9.1
179.10672	4.0
180.09364	6.8
180.11488	3.1
181.08636	3.2
181.10115	15.7
181.12236	13.1
182.10902	11.3
183.11746	25.6
184.12405	6.6
185.09633	5.8
185.13289	19.0
187.11145	6.0
187.14833	7.7
189.11319	2.9
189.12744	13.5
190.13556	9.1
191.14287	6.3
192.09300	4.8
193.10152	15.6
193.12231	10.0
194.10887	10.2
195.11742	28.6
196.12488	4.4
197.09633	4.9
197.13326	19.5
198.13879	3.7
199.11226	5.7
199.14835	7.0
201.12790	8.8
203.14328	22.5
205.10262	4.5
205.12418	3.6
206.10948	7.2
207.11713	16.4
207.13838	15.7
208.12415	10.2
208.14485	7.1
209.13303	16.6
209.15137	3.8
210.14005	6.5
211.11172	5.2
211.14854	16.6
213.12770	10.7
213.16426	3.6
215.10767	3.5
215.14317	6.5
216.14867	3.4
217.10120	3.5
217.16011	4.1
219.11668	6.8
219.13814	6.6
220.12460	4.7
221.13243	13.7
221.15346	83.0
222.13734	4.7
222.15730	5.9
223.11189	5.0
223.14839	9.6
225.12709	6.1
225.16341	7.1
227.14336	4.8
231.11687	4.1
232.12447	4.5
233.13300	6.9
233.15407	20.5
234.13950	5.0
234.16087	7.0
235.14871	10.3
237.12668	4.9
237.14542	24.2
237.16904	4.5
238.13515	3.4
239.18031	3.2
241.15918	3.3
245.13290	4.6
246.14061	3.7
247.14778	6.1
247.16966	6.3
248.13899	6.5
249.16348	7.8
251.14284	4.5
251.17947	3.6
253.15877	9.9
255.17448	22.3
257.13174	3.4
259.17114	5.1
261.16400	11.5
263.18008	6.0
265.15848	3.2
265.19342	3.3
268.18158	3.5
269.18948	5.3
270.19754	5.6
271.16910	7.9
273.18576	4.2
274.19278	10.7
275.20203	5.9
276.20609	4.2
279.17542	3.7
285.18491	5.2
286.19165	13.3
287.20099	11.0
294.19705	8.0
295.20654	4.4
297.18503	5.9
299.20227	13.0
303.19559	34.3
307.22647	6.1
308.23166	4.1
310.19550	3.2
313.21512	12.2
319.20508	3.2
325.21664	14.1
337.21548	10.0
349.24570	2.8
352.24002	84.1
365.24759	17.5
383.25687	4.3
487.32397	4.9
502.34341	8.8
503.35233	10.4
505.33087	4.7
507.34656	10.8
520.35718	35.5
567.38379	4.9
582.41638	11.6
583.42096	3.4
600.42078	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.01874	1.2
55.05512	4.1
56.05031	0.8
57.07074	0.5
58.99580	1.5
65.03942	0.9
67.05515	13.9
68.05042	0.4
69.03446	0.5
69.07079	4.1
70.06590	1.0
70.11702	0.5
70.12051	1.9
71.04989	0.5
74.00674	3.3
76.02237	1.8
79.05070	0.7
79.05503	10.0
80.05022	1.7
81.05830	0.7
81.07064	13.0
82.06596	0.6
83.04980	1.3
83.06104	1.3
83.08628	1.9
84.04509	4.8
84.08150	0.5
85.01150	0.9
85.06520	0.4
86.00656	1.9
86.99079	0.8
87.02694	0.8
88.02218	0.9
91.05494	7.6
93.07054	10.2
94.06576	1.2
95.04971	2.3
95.08617	7.1
97.01124	1.6
97.06548	0.6
97.10190	1.1
98.00652	0.7
99.01436	1.2
99.05565	0.8
99.08086	0.5
100.02232	3.0
102.05561	0.5
105.07043	7.4
106.06596	0.9
107.04973	1.3
107.06062	0.5
107.08611	7.3
108.04578	0.4
108.08112	0.4
109.06541	1.4
109.10146	3.2
110.09667	0.4
110.27303	0.4
111.02654	0.8
111.08107	0.6
112.02206	6.2
113.00600	1.1
113.02991	0.8
113.04253	0.7
114.03770	5.4
116.01693	3.0
116.07069	0.7
117.07043	1.9
117.81538	0.4
119.08587	5.4
120.08110	0.7
121.06503	0.8
121.10155	3.7
123.02604	0.5
123.08061	1.1
123.11755	0.8
124.01438	0.4
125.04236	1.1
126.03748	1.9
127.02223	0.6
127.05812	0.4
129.06660	1.6
130.05013	1.9
131.08615	2.6
133.06425	0.5
133.10123	3.7
135.02635	0.7
135.05589	0.5
135.08075	0.7
135.11688	3.2
136.03873	0.5
137.04239	0.4
137.09644	1.2
138.03738	1.1
139.03261	0.6
139.05835	0.7
139.11197	0.9
140.01653	0.5
140.05309	2.8
142.03235	0.5
143.02788	0.8
143.08620	0.8
144.01195	1.0
145.06094	0.8
145.10110	2.7
147.07921	0.5
147.11687	2.7
149.09569	0.4
149.13290	1.1
152.05360	1.3
155.08472	0.6
157.10109	0.6
159.11728	1.3
162.02231	1.7
162.12897	0.7
163.11198	1.0
168.08417	5.1
169.04373	0.5
169.10231	0.4
171.11717	1.1
173.13313	1.5
179.04890	0.9
179.08914	0.7
181.06151	0.5
185.03818	1.5
187.05412	0.6
187.11185	0.5
189.03136	0.4
191.14378	0.6
196.11562	3.3
202.04033	0.6
203.12846	0.9
208.11523	0.6
209.15337	0.6
215.04900	2.2
216.05635	2.2
224.11081	10.7
224.13158	0.8
225.09456	0.7
229.06445	0.8
231.04370	3.8
233.05997	0.9
236.16513	0.5
241.06354	0.6
242.12114	20.4
247.20634	0.5
255.07957	1.0
257.08002	0.5
257.19046	0.5
264.14215	3.1
269.09674	0.7
270.10376	2.7
275.20084	5.6
282.15259	11.3
292.22864	1.0
293.21185	1.4
307.17422	0.7
308.09225	1.2
322.21866	0.6
323.16113	0.6
324.20081	0.8
325.18872	0.5
332.20233	1.1
333.18698	2.0
339.73486	0.4
344.13992	4.3
345.14795	0.9
350.21548	11.2
351.20084	1.4
368.22614	8.7
384.17111	4.0
385.17978	0.9
407.24045	0.9
435.23175	0.7
453.24240	100.0
454.24384	2.5
479.25632	0.7
507.25443	0.8
525.26392	5.9
529.15411	0.5
580.97699	0.5
582.28461	1.3
600.29535	2.9
606.46454	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
55.05513	4.6
56.05035	1.1
57.07063	0.5
57.98801	0.6
58.99588	18.7
67.05508	8.1
67.05848	1.0
68.00257	0.5
68.44482	0.5
68.74724	0.6
69.07068	4.3
71.04999	1.0
71.17770	0.4
71.30727	0.5
71.31054	0.9
76.02231	77.5
76.03997	2.8
78.03790	0.6
79.05495	6.7
80.05013	0.7
81.07060	10.9
83.03532	0.5
83.04975	2.1
83.06111	1.6
83.08623	1.6
84.00596	0.5
84.04508	12.4
86.99049	4.3
88.02215	2.0
91.05482	7.1
93.07046	9.0
95.04966	2.3
95.08607	6.9
97.01119	0.7
97.06543	1.7
97.10188	2.3
99.05563	1.0
105.07032	9.0
107.04972	2.8
107.08603	5.0
109.06527	3.7
109.10159	2.8
114.03747	1.1
116.01683	23.3
116.41538	0.5
117.07014	2.4
119.08597	5.4
121.06507	3.6
121.10140	3.8
123.08060	1.9
123.11683	1.3
124.02213	0.9
125.09599	1.1
129.06705	1.7
130.05009	6.0
131.08569	6.2
133.06480	0.9
133.10130	7.2
135.08040	1.4
135.11693	2.3
137.09669	1.1
141.04823	1.2
142.03227	8.2
143.08594	1.2
144.01154	12.1
145.06241	0.9
145.10129	6.8
147.08049	1.9
147.11668	4.0
149.09630	1.9
149.13295	1.1
151.11147	1.6
155.08635	1.0
157.10072	1.3
159.08058	0.9
159.11682	3.4
161.09630	2.0
161.13274	1.3
162.02208	42.8
163.11197	1.8
169.10127	0.8
170.02731	3.9
170.88585	0.6
171.11601	0.9
173.09604	0.9
173.13257	1.8
175.11214	0.6
175.14874	0.8
177.12726	1.3
179.04861	100.0
180.05220	0.6
183.11676	1.2
185.13329	1.0
187.05319	2.9
187.11205	1.0
187.14745	0.7
189.11197	0.7
191.14333	1.4
197.13295	0.6
201.12776	1.1
207.13806	2.7
211.61771	0.6
213.16415	0.6
215.04871	1.6
219.13799	1.2
233.05920	14.4
239.17989	0.7
240.28371	0.6
245.05969	4.0
245.18864	0.5
247.20586	1.2
257.19046	4.4
273.18558	3.4
275.20071	31.9
287.38950	0.6
290.07919	0.8
291.06445	2.2
291.19601	2.8
293.21121	21.1
308.09116	26.7
318.54538	0.6
350.21552	0.8
368.22501	8.6
378.20886	1.2
453.24121	5.2
471.25107	2.2
525.26251	3.8
582.28271	1.3
600.29694	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	599.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.6
53.03946	5.4
55.01883	8.1
55.05511	18.6
57.03444	8.5
57.07067	5.4
59.05006	2.5
65.03941	4.4
67.05511	52.4
69.03440	5.3
69.07072	24.7
71.04994	2.2
71.08643	2.4
72.57434	1.3
73.06586	1.3
77.03909	1.5
79.05495	43.2
81.03444	1.4
81.07062	54.1
83.05006	8.5
83.08624	11.9
85.06557	5.6
89.06044	4.2
91.05488	50.9
91.05943	1.2
93.07050	51.2
95.04987	12.0
95.08613	52.4
97.06561	13.6
97.10172	1.8
99.08115	3.5
103.05459	2.0
105.04509	1.6
105.07037	41.6
107.04940	9.1
107.08598	36.7
109.06523	11.5
109.10156	17.2
111.08114	3.2
111.23479	1.4
113.06013	2.3
113.09628	3.3
115.05492	2.2
117.07024	15.7
119.08587	31.7
119.09380	2.7
121.06515	2.9
121.10163	24.2
123.08070	8.9
123.11716	6.5
125.05988	3.5
125.09613	3.4
128.06244	2.8
129.07030	8.7
131.08572	30.0
133.08615	2.3
133.10138	23.9
135.08043	10.7
135.11690	12.8
137.09630	6.3
137.13194	2.0
139.11180	4.3
141.06992	4.2
142.07796	7.0
143.07018	1.8
143.08597	14.5
144.09334	2.2
145.10133	30.2
147.08070	7.1
147.11705	11.0
149.09648	14.2
149.13263	4.9
151.07547	5.4
151.11211	2.1
155.08521	6.8
155.10689	1.8
156.09386	2.3
157.10136	16.1
159.08104	2.1
159.11702	16.5
161.09659	5.7
161.13301	6.0
163.11172	5.9
165.09126	14.5
167.08601	3.4
167.10625	1.6
168.41821	1.4
169.10149	10.2
170.10921	1.3
171.11682	13.3
173.09557	2.9
173.13255	10.1
175.11215	4.6
175.14787	4.6
177.12816	1.9
179.08650	1.9
179.10715	1.6
179.14261	2.2
180.09409	1.8
181.10147	5.8
181.12309	5.6
183.09215	1.9
183.11659	8.9
185.13263	6.1
187.11238	3.3
187.14851	6.1
189.12833	3.4
189.16402	2.3
191.14343	2.8
193.10123	3.1
194.10822	1.8
195.11687	5.5
196.12451	2.0
197.10670	2.6
197.13312	8.2
197.94174	1.6
199.14864	7.3
201.12866	1.9
201.16402	6.1
203.14340	5.0
205.10161	2.1
205.12151	1.5
207.11769	2.6
207.13864	3.4
208.09981	1.8
209.13304	5.1
210.11618	1.6
211.14868	4.2
213.16470	3.6
215.14430	2.2
215.17946	1.9
215.99289	1.4
217.15894	2.4
219.17424	4.5
221.13408	2.6
221.15369	21.9
223.14857	4.3
225.13899	3.9
225.16324	3.3
229.15869	5.1
230.02620	1.7
231.17390	1.9
233.13292	2.2
233.15308	2.9
235.14793	1.9
237.13962	2.6
247.16960	12.1
249.16286	1.9
249.18672	1.9
259.20386	2.1
261.22223	1.7
265.17899	2.0
273.18466	4.9
275.20123	5.8
291.19598	4.1
299.20114	3.9
307.22623	5.0
312.14789	2.0
321.20459	6.9
327.13675	1.9
333.24347	1.6
335.25775	9.0
349.24002	1.9
363.16449	1.6
378.20007	1.6
391.19220	2.2
391.26001	3.4
395.29385	1.6
403.15384	2.3
406.96475	1.4
419.18448	1.9
419.29144	2.4
433.20151	2.3
443.31546	2.0
448.22464	1.8
449.23239	3.8
451.21219	1.7
475.21133	1.7
479.20398	1.9
487.34406	3.5
489.37378	3.1
491.24445	5.2
493.22476	8.7
501.35413	2.4
507.38120	4.2
517.22046	2.5
523.27271	2.8
525.25116	1.6
525.38983	2.6
527.37219	2.5
543.19019	2.1
549.24994	20.9
567.26068	100.0
568.25787	1.7
581.41827	22.5
599.26849	1.9
599.42468	39.9
599.51923	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	599.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71833	2.5
53.03939	10.0
55.01886	14.7
55.02090	2.7
55.05517	45.8
57.03450	15.7
57.07075	9.6
59.05007	5.9
65.03937	10.0
67.05512	91.5
69.03432	9.9
69.07073	31.9
71.04997	6.2
77.03976	3.4
79.05503	100.0
81.03427	4.7
81.07065	97.2
83.04654	2.2
83.04993	23.9
83.08623	20.4
85.06544	7.8
91.05492	75.2
93.06485	5.1
93.07054	88.5
95.04974	21.9
95.08621	68.9
97.06548	20.0
97.10168	9.3
102.85457	2.8
105.04498	3.5
105.07042	82.7
107.04989	17.6
107.08610	67.2
108.05788	3.5
108.24363	2.8
109.06554	14.8
109.10160	36.9
111.08109	4.3
113.09652	2.9
115.05450	6.7
117.07027	33.6
119.07813	5.7
119.08595	75.2
121.06525	10.5
121.10159	52.8
123.08079	19.7
123.11703	11.5
125.09641	9.4
128.06226	7.2
129.07034	18.2
131.08589	49.0
133.06506	3.6
133.10141	49.8
135.08121	15.4
135.11710	26.2
137.09624	12.5
139.11177	4.8
141.07045	9.6
142.07768	14.1
143.08569	26.2
144.09329	4.9
145.10153	54.2
147.08063	15.4
147.11728	34.0
149.09628	19.8
149.13261	10.5
151.07549	13.4
151.11127	3.8
153.06973	3.6
154.07675	2.9
155.08527	13.9
155.10599	5.1
156.09314	8.8
157.10123	39.5
159.08038	5.9
159.11699	29.8
161.09653	10.8
161.13319	16.1
163.11201	12.8
165.09109	20.2
165.12794	5.2
167.08553	6.6
167.10654	3.9
169.10139	21.5
171.11691	22.5
172.12514	2.9
173.09727	4.6
173.13280	23.8
175.01576	5.6
175.11290	7.9
175.14856	10.5
177.12772	5.3
179.08589	7.2
180.09323	3.4
181.10181	8.6
181.12242	10.6
182.10960	4.9
183.11693	21.4
185.09698	3.0
185.13304	17.7
187.11229	5.6
187.14896	10.2
189.11224	3.3
189.12807	6.6
189.16411	5.6
193.10118	5.8
194.10883	4.2
195.11740	12.8
196.12425	3.1
197.13261	16.8
199.11041	3.4
199.14851	10.5
201.16443	9.0
203.14352	9.9
205.15869	4.9
207.11732	8.4
207.13747	7.0
208.12595	3.9
209.13301	16.1
210.13861	3.7
211.11185	3.6
211.14848	12.4
213.16412	6.8
215.17876	7.4
219.17484	3.9
220.36481	2.9
221.13266	7.7
221.15402	41.2
223.14830	7.8
225.16422	5.6
227.12749	3.4
229.15894	4.8
229.19556	5.3
231.17455	3.7
233.19127	4.7
235.14810	4.9
239.14377	4.9
239.18057	3.8
241.19588	5.0
243.17778	3.7
247.17038	8.2
251.18025	5.8
257.18976	6.1
263.17874	3.0
271.20648	3.8
273.18726	3.8
275.20129	45.8
307.22736	44.4
313.11981	8.0
337.25058	3.6
349.23837	17.3
391.26068	4.5
395.29208	3.4
487.34204	6.8
488.65936	3.0
489.37216	5.5
525.38672	3.8
527.37274	8.4
543.19141	12.9
581.41919	48.8
599.25500	8.6
599.41754	81.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	2.9
53.03936	8.6
55.01873	17.6
55.05514	40.4
57.03445	12.3
57.07069	12.1
59.04996	5.6
64.04639	1.9
65.03945	7.4
67.05508	93.5
69.03408	6.4
69.07072	31.4
69.56116	13.8
71.04992	5.8
71.08617	2.9
77.03912	3.3
79.05499	82.7
81.03403	7.1
81.07061	100.0
83.04987	16.6
83.08626	20.8
85.06529	6.0
89.06001	2.6
91.05486	72.7
91.34966	2.0
93.07053	86.6
93.07642	4.8
95.04972	19.7
95.08616	63.7
97.06535	32.7
97.10182	13.4
99.08084	4.7
103.05470	4.4
105.04511	4.4
105.07037	69.8
107.04990	16.8
107.08601	56.2
109.06522	12.8
109.10162	34.2
111.08104	7.2
113.09649	2.1
115.05421	2.6
117.07013	24.7
119.04962	2.4
119.08587	52.9
121.06492	8.9
121.09327	3.4
121.10152	47.7
123.08083	10.2
123.11719	11.3
125.05968	2.7
125.09631	12.8
128.06224	7.6
129.07014	16.4
130.07744	3.9
131.08575	40.3
133.06508	4.9
133.10136	48.9
135.08087	12.0
135.11720	24.1
137.09641	10.5
138.47487	2.2
139.11206	4.2
141.06985	6.6
142.07755	7.7
143.08571	21.0
144.09392	3.3
145.06490	2.1
145.10135	44.7
147.08061	12.4
147.11705	26.4
149.09627	20.6
149.13226	7.6
151.07539	7.5
151.11192	2.8
153.09114	2.2
153.12720	2.2
154.07843	2.0
155.08563	14.4
155.10611	2.4
156.09280	5.4
157.10158	24.1
159.08145	4.3
159.11713	34.8
161.09624	8.0
161.13290	13.1
163.11185	15.5
165.09126	16.6
165.12712	2.8
167.08574	7.4
167.10681	3.1
168.09320	2.9
169.10118	15.6
170.10820	3.0
171.11685	18.7
173.09628	4.0
173.13254	19.1
175.01572	3.1
175.11217	4.9
175.14824	6.5
177.12762	2.6
179.08530	2.5
179.14351	2.2
180.09305	3.8
181.02594	2.3
181.10138	6.1
181.12239	7.3
182.10826	4.2
183.11716	19.7
184.12427	2.3
185.13301	12.6
187.11240	5.6
187.14856	8.2
189.11230	5.6
189.12759	4.6
191.14301	4.4
193.10107	5.6
195.11745	11.4
195.13593	2.4
196.12433	2.6
197.13289	11.8
199.11165	2.7
199.14850	7.8
201.12851	2.4
201.16299	4.2
203.14323	8.3
203.17926	2.7
205.12314	3.3
205.19693	2.4
207.11674	8.4
207.13786	5.1
209.13245	8.3
211.14824	8.6
213.16368	8.4
215.14369	3.5
215.17944	5.8
220.12532	3.6
221.13243	2.9
221.15344	40.1
223.14825	4.1
227.12633	4.1
227.17850	2.5
229.19498	3.8
231.17534	5.5
233.13260	3.5
233.15352	4.3
233.19035	4.1
235.14838	5.1
237.16310	3.2
239.18011	5.1
243.11700	2.5
247.16902	4.3
251.17928	4.3
257.18991	7.5
261.22101	2.3
275.17352	3.8
275.20102	52.6
281.19147	3.4
286.19205	2.6
287.20306	4.1
293.21097	5.2
299.20316	2.7
307.22665	36.6
312.20963	3.6
313.11896	4.4
335.25925	2.3
339.26880	3.4
349.23724	18.9
357.28125	2.3
365.24387	2.6
487.34094	5.1
507.39349	4.2
527.37323	3.2
539.22784	15.4
543.18976	5.5
571.25238	8.6
581.41858	37.2
599.25873	12.3
599.41956	61.5
599.50623	5.3
600.43256	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	599.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.0
55.01889	9.7
55.05268	3.1
55.05514	36.4
57.03429	8.8
57.07079	5.1
59.05001	4.5
60.24346	1.9
62.46447	1.7
65.03948	2.2
67.05510	78.4
69.03429	5.6
69.07075	20.1
71.05003	4.8
71.08632	2.2
71.84966	2.2
77.03930	2.8
79.05501	100.0
81.03415	2.9
81.06589	4.0
81.07064	67.3
83.04990	19.9
83.08632	16.9
85.06552	6.4
86.11110	2.0
91.05491	61.5
93.07056	74.0
95.04970	10.9
95.08614	51.9
97.06530	11.5
97.10163	11.5
99.08076	2.3
101.06028	5.6
103.05496	3.4
105.04501	3.3
105.07043	50.7
107.04962	16.2
107.08607	54.8
109.06527	5.2
109.10173	31.8
111.08093	7.9
113.09653	2.7
117.07024	21.1
119.06082	2.1
119.08592	43.3
121.06509	4.2
121.10159	45.6
123.08081	5.7
123.11701	10.3
123.37936	2.2
125.09620	10.0
128.06198	3.2
129.06995	7.1
131.08580	25.6
133.10141	31.6
135.08035	8.4
135.11690	19.4
137.09644	6.4
139.11172	2.4
141.07042	3.4
142.07776	5.2
143.08583	12.0
145.10135	25.8
147.08057	5.2
147.11694	19.5
149.09631	32.5
149.10753	3.4
149.13255	6.7
151.11160	3.6
155.08560	5.8
157.10089	10.5
159.11742	13.0
161.09639	2.7
161.13257	7.6
163.11188	5.4
163.14830	4.9
165.09096	3.2
165.12811	2.1
167.10722	2.3
168.09413	2.3
169.10225	4.0
169.12257	5.0
171.10178	2.8
171.11574	4.0
173.09608	2.4
173.11870	3.7
173.13222	12.2
175.11270	3.5
175.14839	5.8
177.12727	2.4
181.10150	3.1
183.11722	7.2
185.13261	4.8
187.11237	2.2
189.11282	5.7
189.12814	2.5
191.14250	4.9
193.10083	2.0
197.13284	5.7
205.15990	1.9
209.13417	4.7
209.15456	6.2
211.14793	4.8
213.16406	3.4
215.17958	6.4
219.17424	6.6
221.13390	3.8
221.15382	8.9
227.12729	4.6
229.19540	6.1
233.19084	5.6
247.16948	5.5
247.20688	2.0
249.16322	2.3
249.18752	2.4
257.19000	11.2
273.95224	2.2
275.20108	50.5
293.21387	2.7
307.22705	59.7
349.23871	20.3
581.42041	53.3
599.28687	5.4
599.41833	12.8
599.51837	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	599.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.3
55.01859	3.6
55.05517	16.6
57.02010	1.5
57.03443	13.7
57.07083	2.7
59.04993	1.6
62.53816	1.5
65.03947	3.3
67.05512	53.4
69.03430	3.9
69.07076	13.2
69.62008	3.8
69.62424	5.2
71.04996	3.2
71.08633	3.1
79.05500	52.1
81.03432	2.1
81.06593	2.7
81.07066	55.7
83.04988	2.9
83.08630	9.4
85.06535	5.5
91.05490	44.1
93.07056	54.0
93.07648	3.0
95.04977	8.3
95.08614	39.3
95.09179	2.8
97.06555	10.0
97.10210	2.7
98.21469	2.2
99.08094	3.8
105.04494	2.0
105.07044	38.3
107.04977	6.3
107.08615	22.8
109.06531	5.2
109.10159	17.4
111.08099	2.8
111.11780	1.6
113.09633	2.5
115.05460	1.9
117.07010	15.6
119.08591	27.1
121.06538	3.1
121.10162	25.8
123.08080	5.7
123.11687	4.0
125.09644	1.7
128.06223	1.6
129.07025	4.3
131.08591	24.1
133.10155	20.5
135.08092	4.4
135.11690	13.6
137.09648	4.5
137.13235	2.2
139.11203	2.0
141.06950	1.9
142.07838	2.2
142.22197	1.7
143.08565	6.5
144.09294	1.5
145.10132	18.0
147.08031	3.6
147.11711	7.8
149.09648	5.2
149.13286	2.1
151.07556	2.9
151.11234	2.3
152.59554	1.7
153.12743	1.7
156.09322	1.5
157.10127	6.8
159.11711	10.6
161.13275	3.8
163.11226	3.4
165.09164	3.9
169.10207	2.9
171.11699	4.3
173.13272	6.8
175.11287	1.6
175.14914	3.0
179.10724	1.6
179.14215	1.7
181.10124	1.6
181.12260	2.5
183.13719	1.6
185.13342	5.5
187.14766	3.5
201.16400	4.4
203.14406	4.8
207.11763	1.7
215.17935	2.8
219.17461	100.0
221.15364	9.7
239.17894	1.8
247.17079	2.2
257.19025	2.7
275.20081	28.2
291.19598	2.5
307.22699	79.1
308.23199	2.1
349.23920	10.0
581.42090	27.7
599.41864	10.8
599.50299	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	599.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.5
55.01861	3.2
55.05518	17.4
56.86903	2.1
57.07082	5.4
59.05001	6.2
65.03963	4.0
65.35136	2.0
67.05514	28.4
69.03435	10.4
69.07072	20.6
69.81293	5.1
69.81702	7.9
79.05503	31.6
81.03450	3.6
81.07066	37.7
81.17782	2.0
83.04988	10.4
83.08627	12.0
85.06557	6.4
85.22665	1.9
91.05491	41.1
93.07056	60.0
95.04979	17.8
95.08617	33.4
97.06546	9.7
97.10153	2.6
103.05503	3.5
105.07043	60.9
105.43676	2.1
107.04974	3.9
107.08611	45.0
109.06531	11.6
109.10178	20.1
111.08104	4.6
111.11717	3.4
113.09651	2.5
115.05437	4.4
116.06280	4.0
116.07087	7.3
117.07075	11.9
119.04990	2.5
119.08591	46.4
121.06527	8.7
121.10155	75.7
123.08092	21.4
123.11744	9.9
125.09650	6.6
128.06236	8.3
129.07043	8.8
130.07799	5.5
131.08586	26.0
133.06529	4.5
133.10144	34.3
135.08060	12.3
135.11723	10.7
137.09657	8.6
139.11198	8.2
141.07037	5.8
141.09180	2.9
142.07808	12.9
143.08583	22.9
144.09344	5.1
145.06639	3.0
145.10141	33.6
146.07291	2.5
147.08057	14.0
147.11696	16.1
149.09633	20.0
149.13274	2.6
150.27606	2.3
151.07547	17.9
151.11133	3.0
154.07802	4.1
155.08530	13.9
156.09373	12.5
157.10167	28.0
158.10971	3.1
159.08105	9.7
159.11682	22.2
161.09666	8.8
161.13353	5.0
163.11246	9.3
165.07027	4.0
165.09125	19.8
166.07829	3.4
167.08551	6.6
167.10690	89.4
168.09399	4.6
169.10109	19.2
170.10928	8.5
171.08069	4.1
171.11719	20.1
173.09634	8.7
173.13271	15.0
175.11218	9.9
175.14851	8.9
177.09108	2.5
179.08586	6.1
180.09364	2.7
181.10114	11.5
181.12256	7.0
182.10942	5.6
183.11728	17.1
185.09657	5.3
185.13281	10.8
187.11244	6.9
187.14925	5.8
189.12717	11.9
191.14343	5.5
192.09372	4.5
193.10205	10.1
194.10965	6.7
195.11719	12.7
196.12549	2.3
197.13290	14.8
199.11180	3.4
199.14906	6.6
200.11859	2.1
201.12794	4.8
203.14326	11.7
206.10919	2.6
207.11771	9.8
207.13885	10.6
208.12503	3.8
209.13292	12.7
209.15221	4.4
211.11356	2.7
211.14888	8.3
213.12808	3.8
213.16437	3.6
215.14352	6.0
217.15926	2.3
219.11700	3.9
220.12485	2.6
221.13278	8.3
221.15424	35.4
222.14009	2.4
223.11313	2.9
223.14885	6.9
225.12738	3.6
225.16565	2.4
227.14331	4.3
229.15994	3.2
231.11639	3.1
233.13177	5.5
233.15323	33.8
234.14055	2.6
235.14929	6.8
237.12671	3.7
237.16429	5.1
239.17993	3.3
244.12418	2.9
245.13345	4.8
247.14857	4.6
249.16429	4.0
251.18077	2.9
253.15685	2.9
255.17130	2.2
257.13437	3.2
261.16391	4.0
261.18906	2.4
263.17923	3.0
265.19562	3.1
273.18735	4.9
275.20361	3.0
277.19559	4.2
281.19128	2.8
286.19193	3.2
287.20291	4.5
289.19644	2.2
293.19073	3.5
299.20139	9.3
311.20215	6.0
313.21808	2.6
319.66754	2.1
365.24927	4.2
377.24771	4.2
391.26651	3.9
413.28604	2.7
419.29828	3.0
507.34564	4.9
563.38843	3.4
571.42224	4.2
579.25201	2.3
581.40253	20.9
599.41040	100.0
600.41296	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	599.2504
Annotation	Mg-Protoporphyrin IX 13-monomethyl ester
Peak:m/z	Relative Intensity
53.03934	0.5
55.05505	0.9
57.03435	0.7
57.07075	2.5
67.05502	2.3
68.18095	0.5
69.07073	1.6
69.72293	0.5
71.08640	1.7
79.05501	2.4
81.07049	3.7
85.10188	1.6
87.04485	0.9
89.06034	9.2
91.05508	2.8
93.03418	0.5
93.07056	3.1
95.04986	0.9
95.08633	2.0
97.06577	1.1
99.05772	0.5
101.06020	0.5
105.07035	2.9
107.08612	2.0
107.70453	0.5
108.08134	0.6
109.06512	1.0
109.10179	2.1
110.05997	0.5
117.07041	0.7
119.08592	2.4
121.10164	2.1
129.06964	0.6
131.08588	1.8
133.08630	5.0
133.10164	1.2
134.09016	0.6
135.11671	0.9
137.09637	0.9
143.08655	0.7
145.10143	2.1
147.08067	0.7
147.11702	1.0
149.09647	0.6
157.10156	1.1
159.11774	1.2
161.13295	0.5
165.09122	0.8
167.10733	0.6
169.07539	0.6
169.10155	0.8
171.11732	0.7
173.13191	0.7
177.11276	1.6
185.13374	0.7
207.09125	0.8
209.10660	0.6
209.13300	0.7
219.09308	0.6
221.10803	1.7
221.15465	1.6
222.11604	1.3
223.12257	2.8
224.13177	0.8
225.13901	0.6
227.70818	0.6
233.10851	1.5
233.15410	0.6
235.12384	1.5
236.13196	1.5
237.13939	3.7
238.14655	1.0
247.12337	0.6
249.10268	1.1
249.13899	1.9
249.16254	0.7
250.14754	0.8
251.11871	1.8
251.15569	1.4
258.59064	0.5
261.13885	1.6
263.11874	0.9
264.12662	1.3
265.13437	1.1
275.20041	0.8
276.15027	0.6
277.13333	0.7
279.15021	2.1
298.13794	0.6
300.15121	0.6
312.15250	0.7
313.15628	0.6
314.16641	1.7
315.17377	1.0
316.18408	0.5
322.13467	0.9
324.14813	1.3
325.14896	1.7
326.16351	1.2
327.13525	0.6
328.18173	1.6
329.19025	0.7
330.19656	1.9
336.15295	1.0
337.15192	1.6
338.16235	1.7
339.16129	4.1
340.17432	2.6
341.17752	1.0
342.19666	0.8
349.15073	1.1
350.16403	1.6
351.16574	1.2
352.17804	2.2
353.17645	6.2
354.18430	7.3
355.19196	0.9
356.17688	1.1
358.19208	2.1
362.15982	0.9
363.16028	3.1
364.17255	2.3
365.17841	3.4
366.18851	2.1
367.15546	1.4
367.19458	2.6
368.20157	2.3
369.20801	20.9
370.21411	1.0
371.23276	0.9
375.16327	1.1
376.17099	1.2
377.17712	2.3
378.18835	0.8
379.15164	1.1
379.19324	10.2
380.20450	1.1
381.16531	3.1
381.21005	2.2
382.18091	1.7
386.18796	0.8
389.17899	1.0
391.19354	2.0
392.20544	0.6
393.17090	2.1
393.20966	1.6
394.17810	1.2
395.18643	1.7
395.22937	1.0
396.19351	1.1
397.20313	9.6
398.20483	0.8
404.16647	0.8
405.17014	1.5
405.21536	1.0
407.18704	1.8
408.19370	0.8
409.20438	3.0
410.18008	1.8
411.18002	0.8
419.18814	2.0
421.20660	1.1
423.17181	1.0
423.21988	2.4
424.19077	1.5
425.19781	27.7
426.21008	2.0
427.21747	0.8
433.20480	2.1
435.22568	1.2
436.19739	0.8
437.19669	2.7
438.21289	1.1
439.21286	1.6
440.22464	1.9
441.23526	3.3
442.21353	0.7
444.23053	1.3
448.19333	1.2
451.21399	15.7
452.22165	3.5
453.18591	3.6
455.24625	4.1
456.25739	5.6
457.25589	0.6
461.19858	2.2
462.14691	0.9
462.20566	4.3
463.21478	1.5
465.23053	1.8
466.21732	1.4
467.24854	4.1
468.21835	2.1
469.22559	2.4
479.21237	1.1
480.21671	1.6
481.22269	0.7
483.24283	5.0
484.24820	8.6
489.19125	1.3
493.22382	1.2
494.22079	0.6
495.23514	2.0
497.21820	1.5
506.19269	0.6
507.20346	0.9
511.23569	6.9
512.24249	56.6
513.24463	1.5
519.34888	0.9
521.22064	5.0
538.21906	0.7
539.22931	56.6
540.23334	2.7
555.25952	1.6
567.22083	1.2
571.25677	1.4
581.24084	2.1
581.42676	0.9
582.22382	4.5
599.25049	100.0
599.41187	2.9
600.25159	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	598.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.9
57.07080	34.7
59.05006	15.6
67.05479	0.5
69.07075	3.6
69.19765	0.5
69.20108	5.5
71.08635	28.0
73.06563	6.9
76.12290	0.6
77.06044	0.8
79.05494	0.9
81.07069	1.7
83.08625	3.7
85.10189	18.4
85.11578	0.5
87.04473	17.9
89.06039	44.9
91.05435	0.5
91.07585	0.6
93.07069	0.9
95.08629	0.8
97.10177	5.1
99.11751	2.2
100.34377	0.5
103.03948	100.0
103.07591	13.5
107.07092	0.8
110.59100	0.6
111.11704	3.1
113.06001	0.6
113.13301	2.0
117.09135	5.5
119.07076	1.8
121.08627	1.5
125.13286	1.4
127.14837	1.7
131.07037	4.8
131.51659	0.5
133.08617	14.6
135.10164	0.7
141.16365	1.9
145.10097	0.7
147.06540	10.1
147.10165	5.8
155.17923	1.0
161.11780	1.2
163.09671	3.0
175.09669	2.5
177.11243	6.3
191.09160	5.6
191.12827	0.9
197.22716	3.1
207.12270	4.2
219.12283	0.9
221.13805	1.2
235.11769	4.9
239.99132	0.7
241.25348	2.1
251.14832	0.7
253.16542	1.0
261.81226	0.6
265.16507	0.7
279.14511	1.4
283.17432	0.7
285.27884	7.3
303.65619	0.5
323.17322	0.7
329.30469	3.8
339.20313	1.7
385.20624	4.2
408.81598	0.5
436.23495	0.7
458.04474	0.6
479.39893	0.7
523.41528	0.6
581.42761	2.2
598.44110	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	598.489
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83220	0.6
55.05515	3.3
57.07080	34.1
59.05000	1.0
67.05504	1.1
69.07074	4.5
69.15256	4.5
69.15658	0.7
71.08634	30.4
73.06561	6.8
79.05499	0.8
81.07043	1.5
83.08622	5.7
85.10187	18.1
85.12002	0.5
87.04478	4.5
89.06036	100.0
91.05479	0.9
91.07601	0.7
93.07050	1.1
95.08601	1.6
97.10161	5.9
98.20750	1.0
99.11745	3.1
105.07061	1.0
107.07088	1.5
107.08572	1.1
111.11721	2.3
113.13287	0.9
117.09144	4.5
119.08591	1.1
121.10154	0.9
125.13264	1.1
127.14840	1.8
130.08624	1.3
131.07079	1.2
131.08656	0.7
133.08611	50.6
135.10216	1.2
136.26958	0.5
141.16388	1.4
155.17963	0.8
157.10150	0.8
161.11749	0.9
177.11229	19.4
195.11998	0.5
211.24257	2.1
221.13811	3.7
239.14983	1.5
255.26897	2.1
263.29593	0.4
265.16498	0.8
283.17615	1.9
299.29480	5.6
309.19101	0.6
322.75089	0.5
327.20291	1.4
343.32101	2.4
371.22769	4.8
389.76276	0.5
493.41046	0.7
554.19257	0.6
581.46313	6.1
598.40204	0.8
598.49078	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	597.415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	1.1
51.76106	0.8
53.03946	6.7
55.01873	5.2
55.05514	30.2
57.03426	2.7
57.07073	3.6
59.05010	2.0
65.03935	5.1
67.05508	58.1
69.03091	0.9
69.03435	10.5
69.07072	31.2
71.04980	2.3
71.08636	1.3
71.33153	1.6
77.03928	1.7
79.05495	74.4
81.03421	5.2
81.07060	44.9
81.07485	0.7
83.04986	4.7
83.08618	11.9
85.06533	2.3
91.05485	44.9
92.05799	0.9
93.07047	61.2
94.04230	0.9
95.04967	10.9
95.08611	25.5
96.08913	1.0
97.02893	12.1
97.06518	4.9
97.10169	10.8
99.08091	2.0
99.10927	0.7
103.05445	1.4
105.04522	2.5
105.07034	30.5
107.04966	7.6
107.08598	23.9
109.06520	4.0
109.10159	17.5
111.04445	1.2
111.08086	2.7
113.09679	0.8
115.05457	2.3
117.07017	12.5
119.04980	1.6
119.07706	1.1
119.08588	23.9
121.06515	3.8
121.10145	30.6
123.08076	6.2
123.11726	3.0
125.05975	1.0
125.09630	9.5
128.06236	2.2
129.07019	7.3
130.07756	1.5
131.08582	15.0
133.06534	2.6
133.08565	1.0
133.10129	16.1
135.08041	5.3
135.11696	9.2
137.09592	4.0
139.11198	2.6
141.07022	2.5
142.07800	2.1
143.08574	7.0
145.06509	1.2
145.10118	13.2
147.08028	5.5
147.11705	5.7
149.09573	4.3
149.13278	3.8
151.07555	1.6
151.11150	1.5
153.09116	1.2
154.07794	0.9
155.08577	4.2
155.10715	1.1
157.10130	6.9
159.08105	1.5
159.11678	8.7
161.09642	4.9
161.13329	2.9
163.11176	3.5
165.09149	1.9
167.08560	1.5
169.10139	3.4
171.10349	1.6
171.11649	4.9
173.09708	2.2
173.11934	1.0
173.13278	5.0
175.11243	2.9
175.14819	1.6
177.12825	2.9
179.08551	1.4
179.10670	1.0
180.09508	1.0
181.10107	2.0
183.08107	0.9
183.11720	3.2
185.09651	0.9
185.13269	3.7
187.11191	0.9
187.14897	2.0
189.11243	2.9
189.12796	1.4
193.10307	0.9
193.12167	1.1
195.11774	2.4
195.13734	2.0
197.13344	2.5
199.11235	1.6
199.14836	1.2
205.12195	1.9
207.11717	1.9
209.13232	1.9
211.14883	1.8
213.12752	0.9
213.16585	1.7
215.17958	5.3
221.15337	1.0
223.13257	21.8
225.12662	1.1
225.16522	1.4
227.12787	2.7
233.18976	2.5
239.18166	1.2
245.19049	2.0
249.14810	1.5
255.17513	0.9
273.18530	14.8
285.12183	0.8
291.19543	100.0
292.19855	1.1
307.22653	3.2
337.25095	1.3
347.22220	2.0
355.26425	1.2
365.23364	3.9
523.37860	1.2
579.39893	3.0
597.41339	78.0
598.40656	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	597.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17559	2.4
53.03958	7.1
55.01875	6.6
55.05521	20.2
55.05755	3.7
57.03428	3.0
57.07074	27.1
59.04991	11.1
65.03936	6.8
67.05182	3.9
67.05508	53.7
69.03419	6.1
69.07072	25.9
69.53931	2.6
70.81512	8.0
71.04961	3.5
71.59170	3.0
73.99936	3.1
77.03937	4.3
79.05487	39.3
81.03411	10.8
81.07066	63.3
83.04994	38.3
83.08611	12.1
85.06552	15.6
91.05493	57.9
93.07056	58.3
95.04970	28.4
95.08617	51.5
97.02907	3.3
97.06542	21.6
99.04417	4.3
103.05456	6.6
105.07041	84.6
107.04932	5.4
107.08602	66.2
109.06503	14.6
109.10168	44.4
111.04419	4.7
115.05450	8.2
117.07036	23.8
118.59003	2.7
119.04886	3.4
119.08596	100.0
121.06507	8.1
121.10162	53.2
122.07214	3.7
123.08067	12.4
123.11698	12.5
125.05998	57.4
125.09634	6.2
128.06212	13.1
128.08005	2.8
129.07025	16.4
130.07787	6.2
131.08578	32.3
133.06491	9.4
133.10144	50.9
135.08057	10.8
135.11700	31.2
137.05974	10.2
137.09607	5.7
141.07025	5.0
142.07785	18.7
143.08559	26.1
144.09322	4.2
145.10136	54.6
147.08020	8.6
147.11725	16.4
149.09613	9.5
151.07555	11.3
153.06949	5.5
155.08566	13.8
156.09317	7.1
157.10114	33.6
158.10866	4.1
159.08047	7.7
159.11703	24.9
161.09605	7.3
161.13268	13.6
163.11201	71.7
165.07062	8.4
165.09122	3.0
167.08612	8.1
167.10710	3.1
168.09358	5.9
169.10152	20.7
170.10925	5.2
171.11707	18.7
171.84758	2.8
173.09628	7.1
173.13275	19.6
175.11235	5.3
175.14848	43.3
179.08556	8.0
181.10165	7.8
181.12259	59.4
182.10942	3.5
183.11697	16.6
185.09621	5.4
185.13283	7.9
187.11246	5.4
187.14841	11.7
189.12712	3.2
189.79454	3.3
192.09332	6.0
193.08656	4.0
193.10184	10.5
193.12114	3.3
194.11009	3.4
195.11771	18.2
196.12451	5.5
197.09641	5.4
197.13264	15.9
199.11186	5.0
199.14880	3.6
201.12584	3.6
201.16386	12.3
203.14348	3.8
206.10922	6.4
207.11667	15.1
207.13762	7.5
209.13193	18.4
211.11256	7.1
211.14859	9.0
213.12874	3.6
213.16443	6.1
217.10028	3.9
219.11603	7.0
220.12494	7.0
220.52011	3.8
221.13231	10.9
221.15396	7.4
223.11205	6.1
223.14870	9.2
231.11679	4.0
232.12534	4.0
233.13159	7.4
235.14859	9.5
237.12442	3.4
245.13377	4.0
246.14090	3.8
247.14903	3.5
249.12799	7.4
251.14203	3.2
253.19420	3.8
259.14783	7.0
261.12524	4.1
274.13669	3.1
277.16220	3.0
277.19522	5.8
279.21100	12.1
303.21106	3.7
305.17502	32.7
317.24670	3.5
319.23816	4.0
328.26996	3.0
331.19061	45.2
337.27368	3.8
345.98981	3.1
375.23114	4.6
389.24667	8.1
507.36456	13.6
565.40356	8.1
597.28253	12.9
597.40289	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88314	3.4
53.03946	7.4
55.05519	27.5
56.00180	3.5
57.03421	5.1
57.07083	26.2
59.05000	12.7
67.05511	40.5
69.03439	7.0
69.07067	18.5
71.05006	6.1
72.04491	4.5
72.87150	3.7
79.05495	41.1
81.03423	6.8
81.07059	55.5
83.04993	38.4
83.08605	11.6
85.06550	35.3
89.06014	3.7
91.05485	49.5
91.52442	3.2
93.07047	48.8
95.04948	22.8
95.08617	40.2
97.06536	24.3
97.10162	5.6
105.07037	61.3
107.04969	7.8
107.08596	50.5
109.06499	7.7
109.10184	27.5
115.05476	3.6
117.07007	21.5
119.08590	63.9
121.06531	6.8
121.10155	45.4
123.08067	14.4
123.11745	5.9
125.06010	71.9
125.09618	21.4
128.06235	7.8
129.07002	14.1
130.07678	8.3
131.08585	34.7
133.06490	3.7
133.10135	40.7
135.08069	11.2
135.11713	35.4
137.09641	7.5
142.07794	9.2
143.08562	25.5
144.95320	3.6
145.10147	44.2
147.08044	6.4
147.11696	12.5
151.07535	4.9
151.11200	5.9
152.07942	4.1
155.08563	12.2
156.09346	10.4
157.10132	30.3
159.08118	5.2
159.11729	22.3
161.13278	10.9
163.11189	74.7
165.06947	5.7
165.09119	6.4
167.08592	5.2
168.09256	4.0
169.10114	11.0
170.10840	4.7
171.11696	13.2
173.09575	6.5
173.13278	12.4
175.14825	24.8
179.08508	5.7
181.10161	9.9
181.12236	100.0
183.11684	11.2
185.13283	9.3
187.14867	6.7
189.12726	4.0
193.10194	9.0
194.10887	7.6
195.11827	8.1
197.13345	12.0
199.14859	6.7
201.16405	13.4
203.14337	3.8
206.10896	6.6
207.11723	12.3
207.13770	9.9
209.13261	9.4
211.11206	5.8
211.14902	5.6
213.12805	5.1
213.16304	4.8
217.10117	4.0
219.11623	4.8
221.13251	10.7
221.15395	9.1
223.11160	5.2
223.14763	6.2
229.50021	4.6
233.13242	4.4
235.14748	5.4
237.16374	6.4
241.19585	5.1
245.13306	5.5
249.12817	5.1
257.13232	6.3
271.17032	4.4
279.21353	4.8
305.17432	18.0
331.18893	22.5
338.27664	4.4
389.24869	6.0
493.66714	4.1
499.35602	5.9
507.36331	16.9
530.38892	4.1
565.40179	16.4
597.27911	9.2
597.42297	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.1
55.05515	9.6
57.03435	15.6
57.07074	2.5
58.87121	2.1
59.05039	2.0
60.82069	1.9
61.02926	2.5
67.05502	14.0
67.24654	2.3
69.03423	8.1
69.07075	10.5
70.36591	1.9
71.04993	73.1
71.08660	2.0
71.09482	4.5
73.02916	4.0
75.04456	2.8
79.05483	8.6
81.03416	2.6
81.07055	40.9
83.04985	9.3
83.08604	5.3
85.02908	100.0
87.04473	4.3
91.05497	11.3
92.22434	2.3
93.07043	28.4
95.04955	6.0
95.08608	28.7
97.02888	6.3
97.10213	2.6
99.04424	2.8
105.07022	21.9
107.08597	25.0
109.02824	2.7
109.06525	2.6
109.10154	26.5
111.04433	5.5
117.07026	6.4
119.08588	29.8
121.10124	21.9
123.11713	8.5
125.09628	2.5
127.03896	4.5
129.05486	28.4
131.08554	10.6
133.10107	15.3
135.08049	2.7
135.11673	12.9
137.13243	3.7
142.07700	2.3
143.08533	4.8
145.10129	21.4
147.06476	7.3
147.11687	13.2
149.13258	14.9
155.08513	3.3
157.10103	6.6
159.11723	17.9
161.13254	18.7
163.14825	9.6
169.10168	4.8
171.11668	8.2
173.09554	2.8
173.13234	15.0
173.16257	1.8
175.14853	8.3
177.16411	4.5
183.11658	3.2
185.13298	4.3
187.14819	7.2
189.16393	6.7
191.17949	2.2
195.11755	2.3
197.13231	3.5
199.14787	5.9
201.16394	13.1
203.17963	5.9
211.14694	2.6
213.16406	6.0
215.17941	11.1
217.19490	2.1
225.16293	3.0
227.17876	4.9
229.19417	2.9
231.21048	5.6
240.26512	2.2
241.19490	3.1
243.21083	3.9
257.22620	2.7
269.22681	8.1
271.24216	26.7
273.25894	2.2
281.22665	2.7
283.24277	2.5
287.23584	3.1
289.25333	9.6
295.23935	3.5
308.01318	1.8
320.11203	2.1
325.25443	2.0
381.27893	2.2
397.27374	3.2
399.28796	2.8
415.28287	6.3
417.30014	5.8
451.30380	4.8
554.74432	1.9
579.34619	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	597.3039
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
53.03952	3.2
55.01862	2.3
55.05516	18.1
57.03439	4.6
57.07073	3.8
65.03931	3.0
67.05515	30.5
69.07073	16.3
69.74234	8.3
71.08609	2.0
74.76125	1.7
79.05498	14.7
81.03428	10.0
81.07067	33.5
83.04975	1.7
83.08628	8.9
85.02904	2.9
85.06557	3.3
87.81426	1.5
91.05486	16.0
93.07055	14.3
95.04965	4.1
95.08614	27.4
97.06521	3.6
97.10146	3.4
98.98472	25.6
105.07039	11.0
107.08596	8.5
108.63734	1.8
109.02889	8.0
109.06522	2.7
109.10187	11.1
117.07072	3.4
119.08633	8.0
121.10152	10.0
123.08128	1.9
123.11700	2.8
127.03941	2.6
131.08638	2.4
133.10115	6.7
135.08034	2.3
135.11681	3.3
139.11299	1.8
145.10123	4.5
147.08054	2.9
147.11700	2.9
149.13287	2.8
155.01039	3.7
157.10138	3.2
159.08128	1.9
159.11723	1.7
161.13354	2.9
161.14682	1.4
167.10701	3.1
173.02121	2.4
209.13199	2.0
261.03717	6.5
263.23813	2.2
273.18665	1.9
301.20215	1.6
307.84897	1.7
335.07565	2.7
337.27405	100.0
579.38373	2.2
597.27179	4.6
597.39929	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	597.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.7
55.05510	13.0
56.66644	4.0
56.92458	4.0
57.03436	12.6
61.02925	5.1
63.03861	3.8
67.05499	20.9
69.03432	11.3
69.07064	10.8
69.19892	32.2
69.20300	10.4
71.05003	82.9
78.39285	3.8
79.05482	15.0
81.03410	5.2
81.07061	43.3
83.04991	16.0
83.08635	5.6
85.02917	100.0
85.10921	4.3
91.05468	10.5
93.07038	27.2
95.04969	5.7
95.08620	32.9
96.96655	3.9
97.02916	4.5
101.06055	4.2
105.07032	30.6
107.08604	30.4
109.10151	27.7
111.06580	3.8
119.08584	32.0
121.10152	31.0
123.11735	11.8
127.03865	4.4
129.05504	30.5
131.08580	12.2
133.10147	14.0
135.11700	11.4
137.13174	4.3
143.08559	6.7
145.10143	17.6
147.06564	4.3
147.11690	15.4
149.13261	15.9
157.10155	6.6
159.11681	28.6
161.13277	14.4
163.14833	12.3
171.11707	6.3
173.13243	13.5
175.14864	7.4
177.16388	5.7
183.11711	4.6
185.13275	4.6
187.14886	8.4
189.16411	5.9
201.16402	13.6
213.16411	4.0
215.18018	11.1
229.19350	4.5
261.96863	4.3
269.22507	6.3
271.24149	41.1
289.25439	11.4
399.29099	5.1
467.34299	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	597.1453
Annotation	Peltatoside
Peak:m/z	Relative Intensity
57.03429	3.2
61.02927	3.4
61.76775	0.4
65.03929	0.5
65.91234	0.4
68.99805	0.4
69.03441	3.1
69.07062	0.5
70.06607	3.5
71.50018	0.5
72.08147	1.7
73.02921	6.3
81.03406	0.7
84.04475	0.5
84.08141	1.7
85.02911	6.1
86.09705	2.8
87.05589	0.7
91.03941	1.5
91.05489	0.4
93.03329	0.4
95.04972	0.5
97.02898	4.8
109.02882	0.8
110.88872	0.4
111.00768	1.0
115.03927	2.6
120.08094	1.6
121.02851	0.7
127.03928	1.6
129.10245	1.1
133.04935	0.5
137.02341	3.7
145.04941	0.9
153.01819	3.4
163.03815	0.7
163.06056	0.8
165.01799	2.3
183.02852	0.9
192.10190	1.5
201.05441	2.1
207.11226	0.8
229.04970	4.2
247.06105	0.8
257.04373	2.5
285.03998	1.2
303.05002	100.0
304.05377	1.9
315.04922	2.3
316.05496	0.4
341.06668	0.6
345.05911	2.2
350.13458	0.7
351.13876	0.6
369.05991	1.7
381.05997	0.5
447.09329	0.6
465.10236	1.8
597.29028	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	597.1818
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
55.01874	8.8
69.97129	24.8
70.06592	18.8
72.08165	18.2
79.88921	5.4
81.03431	7.6
84.04483	8.6
84.08132	16.8
85.02919	30.0
86.09700	8.8
91.05479	9.9
91.77301	5.2
93.03418	15.6
93.57219	5.8
95.04987	6.0
97.02891	7.5
107.04952	20.5
109.02885	20.8
119.04948	12.8
120.08110	8.1
121.02896	27.0
121.06510	13.1
123.04437	9.1
131.04974	9.0
133.06491	5.6
135.04407	24.3
139.03934	7.1
147.04416	29.0
149.02370	8.2
151.03864	8.4
159.04453	14.4
161.05988	9.9
163.03963	8.2
165.01852	16.8
173.06012	12.2
175.00293	5.5
175.03893	8.5
177.01830	22.9
177.05534	11.0
187.03987	9.4
189.01817	33.2
189.05490	9.2
190.92081	5.4
191.03377	25.3
195.02896	34.5
201.01891	6.2
201.05537	15.9
203.03436	19.3
205.01379	11.6
205.04958	6.5
207.02933	46.1
213.05652	6.5
215.03438	22.6
217.05028	8.1
219.02908	100.0
223.02396	12.6
225.03954	16.1
229.04982	19.8
231.02876	73.1
233.04512	25.3
237.03960	15.1
241.01234	6.5
243.02885	36.1
245.04535	7.9
247.56436	5.2
249.03932	12.0
255.02914	8.1
257.04507	20.1
261.03973	99.5
269.04507	10.2
273.03891	42.5
285.03958	57.0
291.05032	24.2
297.03891	18.5
297.07401	11.8
299.05447	11.8
303.05035	35.4
309.03845	10.4
309.07513	11.3
315.04935	12.8
321.06042	29.6
327.05005	46.7
327.08682	23.4
339.08566	35.6
345.06033	10.6
351.08548	24.5
363.07178	36.2
369.06161	10.1
375.07089	11.9
381.09763	36.4
387.07205	8.5
393.09525	33.7
405.08484	41.7
411.10925	10.1
423.10025	26.0
429.11823	31.4
441.10901	35.4
447.10623	25.9
459.12311	16.6
465.11990	11.6
477.11703	12.0
483.12897	9.1
495.12656	20.9
507.12823	7.0
525.94922	6.8
543.14856	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	595.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.1
55.01874	2.8
55.05507	9.2
56.05049	2.1
57.03438	15.4
57.07066	2.0
57.41944	1.8
61.02964	1.7
67.05518	9.4
69.03430	7.0
69.07063	7.4
70.06612	15.5
71.05003	78.4
72.08163	9.1
73.02919	3.1
75.04491	3.8
79.05503	8.8
81.03398	5.3
81.07068	33.2
83.04998	6.3
83.08628	3.8
84.04505	2.8
84.08144	10.2
85.02918	100.0
86.09722	11.7
87.04481	3.7
91.05479	12.9
93.07052	24.8
95.04982	4.8
95.08608	22.1
97.02909	4.6
97.06556	3.3
99.04468	3.4
105.07048	25.8
107.08600	32.9
109.06520	2.2
109.10181	16.2
110.07213	2.2
111.04453	6.1
117.07022	4.5
119.08593	25.1
120.08122	4.1
121.10153	19.3
123.11722	7.3
127.03953	2.4
129.05495	27.0
129.07033	2.6
129.10240	5.3
131.08598	12.3
133.10158	12.8
135.11696	11.9
136.07613	3.6
141.07053	2.1
142.07838	2.8
143.08580	7.2
145.04906	2.6
145.10143	15.2
147.06557	6.0
147.11700	15.7
149.13277	8.7
151.11211	2.1
155.08612	2.1
157.10143	16.5
159.11719	13.2
161.13264	11.2
163.14789	3.7
169.10139	4.5
171.11703	7.8
173.13261	10.9
175.14786	10.1
182.10664	2.1
183.11688	3.0
185.13312	6.2
187.14848	5.1
189.16429	6.5
197.13040	3.2
199.14838	5.5
201.16435	7.2
211.14763	3.3
213.16428	12.5
223.14958	2.1
225.16371	3.5
227.17960	3.9
229.19502	4.0
255.26872	1.6
267.21118	3.9
269.22690	29.2
271.24396	3.4
285.22128	2.7
287.23737	7.5
293.17590	2.0
301.07019	2.0
307.54562	1.9
317.08881	2.3
379.26529	2.3
397.27164	2.3
415.28448	3.0
594.89099	2.3
595.32733	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	595.348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.5
55.01867	8.7
55.05511	17.7
57.03435	8.8
57.07071	5.6
61.02924	11.9
67.05506	33.0
69.03434	46.7
69.07076	26.8
70.54284	6.4
70.75699	3.1
71.04998	7.8
73.02904	4.8
77.89205	3.4
79.05505	27.5
81.03431	21.7
81.07061	69.7
83.04988	8.1
83.08617	8.7
85.02913	100.0
87.04475	5.1
91.05481	31.5
93.07043	50.8
95.04955	12.4
95.07996	3.9
95.08611	69.0
97.02895	36.0
97.06511	5.4
97.10181	6.3
97.31907	3.3
99.04449	7.8
103.03941	9.6
105.06425	3.5
105.07043	44.8
107.08603	53.6
109.02872	13.5
109.06510	6.3
109.09462	5.0
109.10166	57.3
111.04478	6.4
111.08135	3.5
115.03932	5.8
117.07020	13.9
119.08603	53.7
119.09394	6.2
121.06564	4.7
121.10151	46.3
123.04472	3.4
123.08114	5.8
123.11697	20.4
125.05994	3.3
127.03925	23.4
128.06284	3.9
129.05469	5.5
129.06993	6.0
131.08585	25.1
133.10133	25.1
135.08018	6.1
135.11691	30.7
137.13225	5.5
139.07527	3.4
142.07811	4.7
143.08578	12.0
144.09351	4.7
145.04979	16.0
145.10124	36.4
147.08012	4.8
147.11717	32.6
149.13268	26.8
155.08525	5.8
157.10144	20.0
159.11688	42.2
161.13292	32.8
163.11198	3.8
163.14835	17.6
169.10133	7.1
171.11671	18.1
173.13246	22.6
175.14796	18.6
177.16396	9.0
181.10065	4.5
183.11685	14.3
185.13309	16.5
187.14827	19.1
189.12741	3.6
189.16377	17.2
191.14241	5.3
195.11708	4.3
197.13251	9.6
199.14867	15.5
201.16403	21.5
203.17973	6.9
211.14830	8.7
213.16486	16.1
215.17984	14.2
217.19476	8.4
221.13379	3.7
221.46001	3.8
225.16405	12.1
227.17986	4.6
231.13763	3.6
235.14699	4.4
239.17978	4.3
241.19514	5.9
243.21106	8.4
245.22681	6.8
253.19630	5.2
255.21085	8.6
257.22632	11.3
267.21045	4.0
269.22678	19.8
271.24243	24.4
281.22604	9.0
283.24176	7.5
295.24200	8.1
313.25327	4.0
379.26334	5.0
397.27161	12.5
415.28473	19.3
423.77130	3.8
433.24234	5.2
433.29559	69.5
595.34497	12.8
595.51691	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.1
55.05523	8.0
57.03445	8.6
59.04992	1.6
65.03940	1.3
67.05508	38.8
68.84456	1.0
69.03444	1.6
69.07066	7.4
70.95821	2.1
71.04995	1.4
71.26218	0.9
77.26411	1.0
79.05497	19.7
81.03417	12.1
81.06586	2.3
81.07057	31.6
81.07537	2.0
83.04958	1.4
83.08618	3.2
85.02925	2.4
91.05478	12.3
93.06483	1.7
93.07047	21.8
95.04963	1.4
95.08611	28.5
97.06525	2.2
97.10182	1.5
98.98470	27.5
99.04486	2.2
105.07032	8.0
107.08611	10.2
109.02885	10.1
109.06507	1.5
109.10159	10.4
109.13241	1.1
111.08081	1.3
117.07023	1.7
119.08579	5.7
121.10168	7.8
123.08048	1.3
123.11715	4.0
127.03944	2.4
129.09647	1.2
131.08551	5.5
133.10146	3.9
135.11700	7.3
137.13264	1.5
143.44742	1.1
145.10123	2.6
147.11656	2.4
149.13309	1.4
155.01089	2.3
155.08640	1.3
159.11729	3.0
161.13258	1.9
163.06047	1.3
163.11244	1.1
163.14828	1.3
173.13182	1.2
179.14268	1.1
235.87358	1.2
242.16670	1.1
243.21074	1.7
261.03775	8.1
261.22131	3.7
277.21451	1.3
317.24585	1.7
330.70755	1.1
335.07379	2.7
335.25809	100.0
336.26266	1.5
595.39398	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2557
Annotation	Salasol B
Peak:m/z	Relative Intensity
53.03945	0.5
55.01857	0.3
55.05505	1.3
59.05011	0.5
67.05513	2.0
69.07062	0.5
70.12435	1.3
79.05494	2.8
81.07059	2.0
91.05486	1.6
93.06519	0.5
93.07039	2.7
94.26183	0.3
95.04988	0.4
95.08614	1.3
96.76145	0.3
98.20913	0.5
105.07055	1.0
107.08585	1.0
109.10201	0.5
112.50726	0.3
117.06972	0.5
119.08595	1.2
120.04596	0.3
121.06630	0.3
121.10132	0.8
123.08046	0.3
125.09674	0.3
129.07025	0.5
131.08585	1.1
133.10150	0.8
135.08080	1.1
137.09677	0.7
145.10075	0.4
147.11678	0.5
153.09071	0.4
159.08078	0.7
163.07574	1.4
173.09732	0.3
218.70946	0.3
221.10689	0.5
225.70236	0.3
246.04277	0.3
271.16992	1.5
289.17996	8.1
326.13107	0.3
328.14404	0.4
340.92535	0.3
362.15314	0.6
363.16583	0.5
375.16476	0.4
376.16885	0.5
377.17621	1.4
378.18369	0.9
379.19345	1.3
390.18512	0.6
391.14996	0.4
391.19504	2.6
392.19983	1.1
393.20822	1.6
403.19696	0.4
404.15973	0.7
404.20651	0.4
405.16666	3.6
405.21103	1.2
406.17923	1.3
406.22363	0.5
407.22592	4.1
408.23105	0.4
418.17825	1.5
419.18527	5.1
419.23776	0.4
420.19214	2.3
421.20148	3.3
422.21078	0.4
432.15808	0.4
433.16077	2.3
433.21255	5.0
434.21252	4.8
435.21869	7.1
435.27112	0.4
436.22876	0.5
447.17319	3.8
448.18286	1.6
449.19507	2.4
451.21454	0.7
461.18872	1.7
462.20392	6.7
463.21075	4.9
465.23398	0.6
466.23883	0.6
475.21469	1.7
479.19910	1.8
489.22876	1.1
491.24359	0.7
493.22510	1.3
494.23132	0.7
507.24802	6.8
535.23456	26.2
536.23669	0.5
567.25928	3.2
595.25531	100.0
596.25983	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	593.2758
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
63.17268	0.4
63.88646	0.5
71.16163	0.6
76.48705	0.5
86.66991	0.4
103.46753	0.4
105.93939	0.4
117.49566	0.4
129.00311	0.4
146.96127	0.4
150.29781	0.4
197.94594	0.4
389.17587	1.0
401.17831	0.6
402.18311	0.7
403.19104	2.0
404.19934	1.2
405.20877	1.8
417.16473	0.9
417.21686	2.4
418.21951	0.7
419.22437	2.7
431.18094	5.0
432.19107	0.9
433.24313	4.1
434.24677	0.8
445.19781	6.1
446.20807	2.2
447.21826	4.8
459.21588	2.6
460.22647	9.8
461.23361	8.0
462.20099	0.7
473.23428	1.5
474.24268	0.6
476.26123	0.6
487.25110	1.3
491.24420	0.5
492.25381	1.1
505.21960	4.8
518.23511	0.7
519.24213	0.7
533.25555	21.7
565.27161	0.6
593.27625	100.0
594.28021	3.3
604.33923	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
69.56187	2.2
81.68720	0.4
109.60206	0.4
164.62567	0.4
200.51324	0.5
238.14586	0.5
375.16315	0.6
385.71640	0.4
388.17236	0.6
389.17685	1.3
390.18469	0.6
401.17947	0.8
402.18555	1.4
403.19336	4.1
404.19971	1.2
405.20779	2.2
416.20459	1.1
417.16226	1.1
417.21393	5.1
418.21735	2.2
419.22281	4.2
430.17725	1.3
430.22748	0.6
431.18188	9.0
431.23663	0.9
432.18753	2.6
433.19104	0.7
433.24142	9.1
434.24576	1.0
444.18323	0.5
445.19916	12.6
446.20773	4.9
447.21661	5.4
458.21332	0.5
459.21628	4.4
460.22552	12.3
461.23337	12.3
473.24051	2.4
474.24258	0.6
476.25717	1.3
477.21786	0.7
487.25381	1.3
489.26587	0.6
491.24536	0.9
492.25253	1.6
503.24835	0.5
505.22055	5.9
518.22986	1.2
519.24530	1.0
533.25537	47.4
534.26007	1.3
565.27966	1.4
575.26575	0.6
593.27625	100.0
594.27869	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	592.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38462	3.9
55.05520	4.9
56.05027	3.9
57.50484	2.9
59.04998	3.4
60.04538	4.5
61.15453	3.0
67.05518	18.7
67.26727	3.0
69.03427	6.0
69.07088	4.0
71.08659	3.8
71.50861	4.7
79.05482	11.7
80.05021	3.3
81.07059	16.4
82.06587	4.0
85.02930	3.5
85.06535	3.7
87.04459	3.9
91.05488	9.3
93.07047	24.0
94.06553	12.3
95.04995	3.5
95.08616	25.2
96.08141	3.3
97.06512	6.4
105.07030	14.0
105.63159	3.5
107.08614	5.3
110.09662	7.6
111.08080	14.3
114.14535	3.5
119.08536	3.3
122.09680	35.8
123.08091	28.9
128.10707	37.6
130.79724	3.2
133.43636	3.1
140.10715	100.0
141.09114	9.7
158.11766	6.1
184.07239	5.1
272.25870	6.3
302.41266	3.5
315.81549	3.2
319.25027	3.3
382.33249	6.6
394.33240	18.9
412.34219	54.1
465.36508	3.4
612.00299	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	592.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62706	0.7
52.12492	0.7
53.03937	2.7
55.01878	1.4
55.05516	2.9
57.03435	1.9
60.04530	1.5
67.05505	5.8
68.05027	3.2
69.03445	8.2
69.07066	3.0
69.48416	1.6
69.48829	3.8
70.06599	8.3
71.04980	1.9
72.08163	2.1
73.02918	1.4
79.05500	23.0
80.05025	5.7
81.03427	8.1
81.07059	10.7
83.04990	7.8
83.08631	0.9
84.04498	1.8
84.08142	4.6
85.02911	3.7
85.06570	1.0
86.09715	2.7
91.05471	3.3
93.07050	12.0
95.04980	5.4
95.08620	6.0
96.04523	0.9
97.02899	3.6
97.06541	9.6
98.06059	20.1
99.04461	5.5
105.07027	8.3
107.04968	6.9
107.08604	6.5
109.02884	5.0
109.06519	5.7
109.10149	1.5
111.08087	6.2
112.07675	0.9
113.06017	0.9
116.07091	1.7
119.04951	1.0
119.08578	5.1
120.08103	1.1
121.06519	6.9
121.10152	1.5
123.04478	1.0
123.11671	2.0
124.07613	7.5
125.06001	49.8
127.03915	8.1
129.10265	2.6
131.04918	1.0
131.08583	2.5
133.06523	0.9
133.10156	4.8
135.04477	1.6
135.08066	2.3
136.06215	1.7
137.06029	1.6
139.07571	2.9
140.07098	1.4
142.08646	100.0
143.07076	5.5
143.08612	1.3
145.04984	1.3
145.10152	2.7
147.08047	1.2
147.11713	11.9
149.09616	1.0
149.13327	1.2
151.07526	1.3
151.11200	2.3
157.08864	0.8
157.10135	3.5
159.06525	1.6
160.09708	53.6
161.09973	0.9
161.13252	1.5
165.12796	3.1
169.12230	6.0
171.11766	3.1
173.13284	0.9
175.11217	6.7
178.08652	1.0
187.06107	3.1
189.12785	4.3
193.12260	7.9
199.11156	6.2
202.10832	1.1
205.07036	1.6
206.08200	1.1
207.13820	1.9
211.13248	5.0
217.12242	11.5
228.85283	1.0
229.14473	2.4
232.09660	1.5
235.13327	12.1
253.14374	10.3
266.65332	0.9
303.05106	4.9
304.05402	6.1
379.17682	1.3
397.18750	1.2
418.11624	0.9
538.26721	2.4
556.27795	2.4
574.28638	10.9
592.29694	55.8
593.30298	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	592.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75764	1.4
55.01878	1.7
55.05516	10.8
57.03441	1.7
58.06595	1.5
58.99591	11.4
65.82811	1.5
66.95980	1.4
67.05510	13.1
68.82117	1.3
69.03434	8.7
69.07059	4.9
70.02946	1.8
70.06595	12.7
71.05030	1.5
71.49516	2.5
72.08160	4.8
74.00671	7.7
76.02217	1.7
76.67608	1.3
79.05495	9.0
81.07072	10.9
83.05004	2.2
83.08627	4.1
84.04497	3.3
84.08163	8.2
85.01129	4.1
85.02891	2.2
86.09717	7.7
86.99049	11.0
88.03994	14.6
89.06037	1.7
91.05499	9.3
93.07047	9.2
95.04967	2.2
95.06110	3.0
95.08619	9.6
99.08116	15.6
100.02235	3.9
100.11279	10.8
102.03766	4.2
105.00106	27.5
105.07041	10.8
107.04967	2.4
107.08607	19.1
109.06531	4.8
109.10165	15.9
111.04440	3.3
111.08100	3.0
113.04248	7.1
117.07010	2.3
119.08588	8.4
120.01189	12.1
120.08102	2.2
121.06511	8.9
121.10148	6.9
122.02746	2.3
123.08105	2.0
123.11745	1.7
125.09650	10.9
128.01721	3.0
128.06215	2.2
128.07091	2.4
129.03688	1.8
129.06996	3.0
129.10274	3.2
130.03282	1.5
131.01662	2.1
131.08563	4.5
133.10153	5.5
135.08069	3.7
135.11696	2.7
136.07594	1.8
136.89075	1.5
137.09671	2.3
139.05830	1.9
140.10759	3.3
141.07001	1.8
142.07829	1.9
143.08572	8.1
145.06526	1.9
145.10120	4.3
146.02771	3.9
147.08063	2.2
147.11710	4.3
148.04279	7.2
149.02611	2.1
153.09084	3.9
155.08600	5.9
157.10194	5.4
159.08084	4.0
159.11745	4.2
161.09676	5.2
161.13367	2.2
166.07707	1.7
167.08632	2.4
168.10324	1.5
169.10178	3.7
171.08073	19.4
171.11754	2.6
173.09625	3.5
174.02264	3.1
176.03833	4.8
177.02182	15.6
178.07845	1.7
179.08577	4.8
180.09335	2.2
181.10147	5.6
182.15439	8.0
183.08046	2.3
183.11736	4.0
185.09599	2.6
185.13290	1.9
187.07597	2.3
188.07436	2.3
192.09439	1.6
193.10226	4.1
194.04840	18.2
195.08119	2.2
195.11725	4.2
196.08896	2.9
197.09618	7.8
197.13403	2.5
199.11261	1.5
205.10144	7.5
207.11743	2.3
208.08890	6.0
209.09628	4.2
209.13347	2.5
210.14958	6.3
211.11212	7.5
213.12772	3.3
216.06926	4.1
219.11780	2.6
220.08591	1.5
221.09634	8.4
222.10350	3.5
223.11174	13.7
225.12773	3.0
227.14433	1.4
230.10924	1.5
233.13467	2.0
234.10286	2.5
235.11220	4.8
237.12833	6.3
237.16406	2.3
239.14474	1.9
245.13322	1.7
246.10480	2.8
247.11249	2.8
247.14754	2.3
248.12100	2.9
249.12794	4.7
251.14317	2.6
259.15213	1.3
261.12949	6.8
262.13562	1.9
263.14355	14.3
264.15338	1.5
265.15927	8.5
267.17529	3.3
279.17551	1.5
281.15488	2.1
288.14828	1.6
289.15961	4.3
291.17575	2.1
305.18967	3.8
307.17389	1.6
309.22012	2.0
313.21747	1.8
345.22165	3.4
363.23355	2.6
373.25122	1.9
394.27084	2.2
399.23260	1.7
419.26291	1.5
425.35080	2.1
435.25247	2.2
528.28125	2.6
546.28479	4.5
556.27533	3.0
574.19116	1.7
574.28351	30.0
592.29437	100.0
592.43219	8.5
593.29706	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	592.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.0
55.01863	2.0
55.05505	9.6
55.62174	1.6
58.99575	5.7
60.69325	1.6
63.96292	1.5
65.03925	3.9
67.05512	19.1
69.03435	25.1
69.07065	7.0
69.75031	10.4
70.06593	5.2
71.04974	1.7
72.08133	2.0
76.02219	7.5
78.83101	1.5
79.05503	21.7
81.03400	1.7
81.07062	29.4
83.04971	6.6
84.08142	2.6
85.06548	3.5
86.00664	1.9
86.09706	2.3
86.99038	3.2
88.04006	1.7
91.05468	17.6
93.07045	17.3
95.04966	6.1
95.08619	31.3
97.06542	17.0
98.21516	1.8
103.05436	2.0
105.00099	3.2
105.07038	34.9
107.04962	4.6
107.08599	33.2
109.06520	26.5
109.10163	20.9
111.04437	3.1
111.08109	8.3
115.05473	3.2
116.06147	1.9
117.07008	9.4
119.08592	15.5
121.06513	13.7
121.10149	13.0
122.02732	34.1
123.04476	3.5
123.08076	76.0
123.11674	9.9
125.06006	23.8
125.09630	32.8
127.07548	1.9
128.06232	8.3
129.06999	7.1
131.04843	2.2
131.08577	16.8
132.01158	2.7
133.06493	4.0
133.10141	27.0
135.08060	9.1
135.11697	7.4
137.05966	2.0
137.09613	9.9
137.91859	2.0
141.06978	4.9
142.07727	3.6
143.08566	32.3
145.06461	5.8
145.09267	1.7
145.10153	21.4
146.07211	2.9
147.08054	7.8
147.11707	11.5
149.09607	10.0
149.13252	3.1
151.07549	16.2
151.11180	3.3
153.07066	3.6
153.09058	10.4
154.07710	2.2
155.08569	23.2
155.10632	4.5
156.09349	3.4
157.10136	13.2
158.07233	4.6
159.08067	13.9
159.11665	12.8
160.08784	2.3
161.09633	19.1
161.13284	3.5
163.11160	3.8
165.07005	6.2
166.07780	2.0
167.08556	8.1
168.09290	2.8
169.08650	63.8
169.10112	11.9
170.10886	2.4
171.08054	100.0
171.11664	14.6
173.09633	13.3
173.13312	8.5
175.11215	9.6
175.14893	3.2
177.12788	8.5
178.07771	2.4
179.08517	8.9
179.10658	4.9
180.09378	2.3
181.10155	10.2
182.07303	2.4
182.10992	3.4
183.08060	10.5
183.11662	13.3
184.12437	2.5
185.09630	10.6
185.13263	14.1
187.07460	2.1
187.11154	6.3
187.14836	2.6
189.09099	6.3
189.12735	7.6
191.08679	4.2
191.10571	2.6
192.09383	5.1
193.10141	18.6
193.12128	4.4
194.10858	5.2
195.08037	5.8
195.11668	14.4
196.08911	3.2
197.09647	21.1
197.13219	9.5
198.10321	2.5
199.11218	4.3
199.14806	6.2
201.12714	3.8
204.09332	2.2
205.10112	5.0
206.10875	4.8
207.08109	1.9
207.11684	13.3
208.08798	8.7
208.12384	1.9
209.09636	12.8
209.13249	7.6
210.10464	2.3
210.14001	2.1
211.11194	22.1
211.14761	6.0
212.11899	2.3
213.12735	9.6
215.08502	2.2
215.10619	2.3
215.14305	4.2
215.17940	1.7
219.08086	2.7
219.11755	8.2
220.08867	2.0
220.12476	3.5
221.09651	11.3
221.13199	9.1
222.10382	5.1
222.14091	1.7
223.11220	15.5
223.14774	5.0
225.12773	15.8
225.16368	2.3
227.14316	6.5
230.10893	3.6
231.11711	3.2
232.12450	4.2
233.09509	3.0
233.13171	3.9
234.10416	5.8
235.11191	17.0
235.14816	9.4
235.22166	2.1
237.12665	11.5
237.16417	6.5
239.10672	2.2
239.14265	11.1
239.17906	9.7
244.12584	1.9
245.13286	7.6
246.10367	3.8
246.14151	2.0
247.11230	6.9
247.14775	4.9
248.12019	9.6
249.12703	12.2
249.16452	11.4
250.13365	2.0
251.14392	7.4
253.12402	2.1
253.15874	5.4
255.13841	3.2
257.13129	2.1
257.15509	2.4
257.19159	3.7
259.11166	5.3
261.12741	8.9
261.16296	2.1
262.13660	2.4
263.11484	3.2
263.14322	77.0
265.15842	22.6
267.17450	80.2
268.17786	2.3
271.14758	4.8
273.12817	2.0
274.13541	7.2
275.14288	7.0
277.15720	4.3
279.13873	3.0
279.17294	3.1
281.15411	27.1
281.18234	3.4
283.16986	8.2
285.18546	16.4
287.14413	3.1
289.15912	40.0
291.13715	1.8
291.17456	5.8
293.15408	3.2
293.18903	3.4
301.18149	4.1
303.17044	4.6
303.19739	6.4
305.15372	2.5
305.18915	2.3
307.16968	9.5
309.18195	2.4
317.15433	2.7
371.23679	8.2
381.22137	6.9
384.16165	3.7
389.24615	7.5
391.22491	2.4
399.23245	27.9
409.23593	13.8
417.24271	43.6
424.21854	2.2
435.25348	38.4
453.26355	14.0
467.22009	2.3
519.74664	2.4
520.25067	2.1
574.28369	12.9
575.28455	2.3
592.29285	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	591.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.0
55.05515	15.3
57.03433	14.3
57.07083	41.8
65.03944	2.3
67.05511	60.8
69.07076	17.1
71.04987	2.5
71.08640	27.1
71.21831	2.4
73.69876	1.3
77.87764	1.2
79.05498	34.7
80.50055	1.2
81.07063	64.8
83.05016	1.8
83.08624	11.7
85.06547	1.8
85.10196	14.2
89.06083	2.6
90.45772	1.3
91.05486	18.4
93.07048	40.0
95.04984	2.2
95.08613	55.9
97.06570	1.6
97.10186	7.1
105.07040	13.5
107.08602	27.9
109.10159	22.8
114.01212	1.3
117.07021	7.8
119.08584	13.8
121.10154	21.8
123.11713	11.3
131.08580	14.4
133.10150	10.6
134.02931	1.4
135.11697	15.3
137.09621	1.6
137.13248	6.0
145.10147	10.7
147.11726	9.0
149.13281	10.8
151.14758	2.0
159.11662	6.3
161.13249	7.1
163.14810	7.0
173.13269	8.5
175.14844	2.6
177.16315	1.9
183.45215	1.5
187.14850	3.9
201.45413	1.5
215.17973	1.5
233.22731	2.1
239.23743	6.1
243.21140	12.1
257.24884	2.5
261.22159	60.4
277.21588	1.8
279.23260	3.5
283.97083	1.3
291.23239	1.9
299.23682	2.5
313.27380	100.0
314.27896	1.5
317.24860	11.1
335.25806	59.2
387.68802	1.5
430.79382	1.5
499.45114	2.7
522.80780	1.6
573.48883	19.0
591.49963	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2606
Annotation	Trigonosin A
Peak:m/z	Relative Intensity
55.05497	0.3
57.07077	0.5
59.04989	0.4
66.93772	0.3
67.05508	0.8
69.07082	0.5
74.09728	0.4
77.83460	0.2
79.05500	0.6
81.07058	0.9
81.75804	0.2
83.08606	0.3
91.05479	0.3
93.07052	0.6
95.08599	0.4
105.07073	0.4
107.08591	0.3
109.10166	0.5
121.10147	0.3
133.10143	0.3
145.10143	0.3
189.16345	0.3
261.22226	0.4
281.47742	0.2
313.27359	0.5
328.89233	0.3
396.87289	0.3
399.16626	0.3
401.17621	1.0
402.19144	0.4
412.17578	0.3
414.18393	1.4
415.19202	4.9
416.19818	2.0
417.20981	0.5
418.21838	0.6
427.19241	0.4
428.20364	0.8
429.20905	7.4
430.21686	4.5
431.22549	1.6
433.24176	0.7
442.21790	0.3
443.23102	2.9
444.23639	6.0
445.24338	4.8
446.24728	0.5
448.26233	1.0
456.19489	0.6
457.19849	0.8
457.24750	0.6
458.19983	0.4
458.24796	1.1
459.21158	2.0
459.25650	3.9
471.21973	0.5
472.22638	3.1
473.23489	4.9
474.24365	3.1
475.25723	1.3
476.21832	0.3
485.23801	1.7
486.24133	0.7
487.24963	21.5
488.25327	1.0
489.23062	2.1
490.23767	0.4
500.22217	0.6
501.23105	0.6
503.25076	2.6
504.25540	0.6
515.24634	1.3
517.22205	0.7
518.23303	0.8
531.23956	14.4
532.24554	4.5
563.26648	0.4
576.23523	0.4
590.43237	0.9
591.26050	100.0
592.26282	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	590.464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28785	3.1
53.03951	3.6
55.05500	12.0
57.03427	13.7
57.07080	35.6
59.04996	3.4
67.05514	37.9
68.05826	3.6
69.03395	3.2
69.07058	14.2
71.08640	41.3
71.24839	5.6
74.12500	3.8
79.05486	20.2
81.03427	45.3
81.07069	35.3
83.04961	4.4
83.08628	19.4
85.10175	18.0
91.05489	24.7
92.05806	5.5
93.07043	20.9
95.04968	14.5
95.08614	34.7
97.06496	4.7
97.10204	5.3
99.08114	3.3
105.07035	21.0
107.04887	3.3
107.08585	7.7
109.06483	6.8
109.10155	14.2
111.08073	5.2
111.66527	3.1
112.08405	4.2
115.05365	3.1
119.08562	14.2
121.10133	9.9
123.11740	3.5
129.06937	5.6
133.10121	11.2
134.10471	4.9
135.11710	6.5
137.09596	4.3
137.13223	3.0
138.17159	3.4
145.10059	7.5
147.08008	4.3
147.11690	13.7
148.12051	3.3
149.13258	4.9
157.10156	10.1
161.13231	9.2
171.11690	4.7
173.13187	3.6
175.11134	5.3
175.14821	4.8
179.14200	4.3
193.12299	18.8
209.47707	3.6
214.71730	4.2
220.84720	2.9
239.23550	4.1
241.19464	7.2
259.20578	10.2
260.20935	10.3
267.15903	82.5
272.83179	3.1
277.21628	13.6
278.22052	5.6
313.27353	100.0
314.27707	14.8
315.84631	3.7
330.94769	3.2
333.24338	8.4
334.24615	9.0
505.38971	64.5
590.48932	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	590.427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.3
55.01871	7.2
55.05518	86.8
57.03444	21.7
57.07079	24.1
59.04999	6.7
65.03928	3.6
67.05508	83.6
69.03452	5.4
69.07076	55.2
71.04992	3.1
71.08623	18.6
73.59029	2.8
74.34611	3.5
76.54536	2.9
79.05505	28.7
81.03432	8.3
81.07063	36.2
83.04985	8.7
83.08625	47.8
85.02921	17.9
85.10191	9.9
87.04486	10.5
91.00122	3.1
91.05489	11.6
91.09509	2.6
93.07054	13.3
95.08616	31.1
97.06541	4.4
97.10181	58.3
99.08096	3.5
101.06033	3.0
102.48985	3.5
105.06982	7.9
107.04945	5.6
107.08619	20.7
109.10172	56.6
111.08123	3.5
111.11714	7.4
116.07146	3.1
117.07069	3.9
119.08635	6.4
121.10151	5.8
125.09639	39.3
133.10191	3.8
135.11713	8.3
143.10707	7.1
145.10199	4.8
147.11644	3.3
153.12718	3.5
155.10667	6.3
159.96219	2.9
163.11182	4.9
163.14778	3.5
173.11760	13.6
199.13350	21.4
227.12808	6.9
229.14374	44.0
237.22162	4.2
267.15781	4.5
299.14938	6.6
301.16486	23.2
311.25824	100.0
313.27377	24.9
403.33710	3.2
453.35895	18.1
465.35873	23.8
537.37598	13.1
555.38855	5.5
583.11017	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	590.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
55.01868	3.7
55.05515	66.1
57.03440	23.2
57.07074	18.9
59.05014	9.0
60.43196	1.9
67.05508	72.7
69.03424	2.5
69.07075	46.6
69.43423	14.8
71.04977	2.2
71.08625	11.3
79.05493	17.6
81.03413	4.8
81.07065	29.7
82.52133	1.8
83.04987	7.2
83.08620	47.7
85.02891	11.5
85.10192	3.0
85.31106	1.5
87.04469	7.5
89.33009	2.0
91.05473	7.7
93.07040	10.9
95.04975	4.5
95.08611	20.9
97.06519	5.2
97.10173	47.8
103.03941	2.6
105.07044	3.7
107.08608	16.1
109.06519	2.7
109.10155	51.0
111.04455	3.8
111.08096	4.0
111.11722	6.5
114.22276	1.7
119.08582	4.4
121.10182	8.9
121.23306	2.1
123.08086	2.1
125.09637	27.5
135.11708	4.7
137.05962	6.6
137.13235	2.7
143.10721	6.4
145.10228	2.1
155.10670	4.6
157.86757	2.0
163.11214	2.8
173.11731	18.0
176.92575	1.8
191.10596	2.3
199.13310	22.2
205.40352	2.1
209.11742	2.6
216.83861	1.8
217.14362	2.1
227.12775	5.0
228.14401	1.8
229.14359	45.1
237.21933	2.0
274.93466	1.8
277.18173	2.9
278.18512	3.0
283.15247	2.3
301.16449	12.6
311.25821	100.0
350.26385	1.8
427.30841	2.1
435.34634	5.2
453.35706	12.2
465.35794	20.6
537.37732	4.4
590.44739	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	590.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45560	3.0
53.03935	5.0
55.01867	4.6
55.05274	4.4
55.05514	59.3
57.03438	19.0
57.07080	17.1
59.04980	6.9
61.08526	2.7
62.11768	2.7
67.05505	65.1
69.07059	43.2
71.00562	3.2
71.00874	4.6
71.08629	8.3
75.68751	3.0
79.05486	22.3
81.03382	3.7
81.07051	33.7
83.04980	8.2
83.08626	36.7
85.02908	15.8
85.10176	7.2
87.04485	6.4
91.05455	12.6
93.07017	14.6
95.04915	3.9
95.08620	17.0
97.10170	46.0
107.08621	15.2
109.10159	50.1
109.10864	5.8
111.08052	3.7
111.11736	8.2
112.04238	3.1
117.07082	3.4
119.08574	7.8
121.10171	7.0
123.08056	3.4
125.09615	27.2
133.10066	3.9
135.11671	3.7
137.05901	4.2
143.10664	4.9
145.10062	4.4
147.08112	3.2
149.13315	4.3
155.10670	6.8
163.11174	4.4
173.11717	12.5
180.94612	3.9
199.13350	17.4
200.18149	3.9
217.14322	3.6
227.12617	3.8
229.14343	54.1
277.17816	3.4
278.18481	3.9
301.16434	13.7
311.25821	100.0
349.69925	3.6
453.35745	11.7
465.35852	18.0
531.24243	4.0
537.37677	9.8
552.71802	3.5
590.24237	6.2
590.43311	10.5
591.25824	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	590.3367
Annotation	O-12'-Methyl-alpha-ergokryptine
Peak:m/z	Relative Intensity
51.02379	1.7
53.03938	4.8
55.05511	13.8
56.13586	1.0
56.37717	1.1
57.07062	4.7
58.06601	1.5
58.99590	8.5
65.03932	3.8
67.05508	38.0
69.03425	4.9
69.07074	22.0
70.02958	1.2
70.06297	1.1
70.06603	11.2
71.05003	1.7
71.50566	2.8
72.08159	3.6
73.01138	1.4
73.02911	1.1
75.02692	4.8
76.02238	6.5
76.02583	1.3
77.03928	1.8
79.05499	29.1
81.03408	1.9
81.07064	100.0
83.05000	1.9
83.08642	8.0
83.09052	1.0
83.44738	1.0
84.04492	2.1
84.08168	9.8
85.01112	2.0
85.02896	1.9
85.06561	9.1
85.56575	1.0
86.09715	5.1
86.99060	2.3
87.02701	2.3
88.02221	15.2
88.03999	23.6
89.06006	1.5
91.05486	24.6
93.07053	68.8
95.04984	4.2
95.06100	1.2
95.08615	64.8
97.06517	3.7
97.10187	6.1
99.02700	5.7
99.08092	1.9
101.04249	23.4
103.02143	5.6
103.05465	2.4
105.00087	3.0
105.04519	1.8
105.07039	46.7
107.08603	80.7
109.06536	1.9
109.10164	49.5
111.02679	1.6
111.08086	1.6
111.11730	2.7
113.04237	4.4
113.09599	1.6
115.05770	3.0
117.07036	4.7
119.06073	1.5
119.08586	49.2
121.10154	41.7
122.02737	24.7
123.08072	2.2
123.11723	18.9
125.04175	1.8
125.08895	1.7
125.09647	18.3
127.05738	2.1
129.03699	2.7
129.07082	1.6
129.10289	2.1
131.08574	12.6
133.10147	25.2
134.02731	2.9
135.11700	27.9
137.13268	3.5
139.11140	2.0
141.07339	2.3
143.08682	3.0
144.09413	1.5
145.03003	1.4
145.09062	2.0
145.10130	21.2
147.11696	25.9
149.13268	39.9
151.14742	2.5
153.07356	1.4
155.08780	1.5
157.06866	2.9
157.10117	4.4
159.08405	6.7
159.11693	22.9
161.09796	1.8
161.13274	19.9
163.14824	16.5
165.12730	2.0
166.90700	1.2
167.08849	1.5
171.11754	2.8
173.09888	2.0
173.13261	10.5
174.05876	1.5
175.14822	12.7
177.16418	5.7
183.11777	1.5
185.09953	9.3
185.13226	1.8
187.14751	7.0
189.16379	17.5
191.17990	4.4
193.15927	2.0
201.16411	7.9
203.17941	9.4
205.19363	2.7
213.16331	2.5
215.17967	9.4
217.19521	3.7
219.17517	1.4
227.18132	1.3
228.10596	14.0
229.08936	2.4
229.19582	3.0
231.21127	5.4
233.13615	1.5
246.11588	15.5
248.13007	1.4
269.22476	1.8
271.24216	17.7
274.14828	1.9
289.25281	9.7
296.72681	1.1
303.21332	5.0
308.91150	1.3
321.22525	14.5
323.23975	3.3
329.22989	1.9
342.20740	2.0
347.23962	2.1
356.54288	1.2
357.22427	2.3
363.34912	1.6
375.23465	4.5
392.26227	9.3
393.24704	2.4
410.22180	1.1
410.27200	24.0
590.33472	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	589.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.3
55.01872	5.7
55.05515	8.8
57.03451	0.7
57.07081	16.5
65.03942	1.2
67.05509	16.6
69.07075	7.8
69.92127	2.4
71.05008	1.0
71.08636	13.6
71.09010	0.9
74.08926	0.4
79.05495	9.3
81.03431	0.9
81.07063	43.6
82.07407	0.7
83.04988	3.0
83.08613	5.3
83.08977	0.4
85.06547	1.1
85.10194	5.5
91.05486	5.8
93.07045	7.3
95.04984	1.4
95.08614	16.7
97.06541	1.8
97.10178	2.1
99.08128	1.5
105.07050	5.8
107.08606	6.8
109.06523	12.5
109.10162	8.2
111.04449	15.8
111.06139	0.5
111.08092	1.3
113.06051	0.8
117.07050	1.3
119.08578	6.0
121.10149	4.6
123.08059	1.5
123.11726	3.9
125.06004	4.7
129.06995	0.9
131.08582	2.3
133.10143	6.6
135.08043	2.9
135.11711	5.9
137.05986	100.0
137.13281	2.7
139.07526	0.6
139.11198	0.9
141.06790	0.6
142.07764	0.8
143.08598	1.7
145.10162	2.4
147.08040	2.0
147.11702	8.0
148.12004	0.5
148.66048	0.5
149.09639	4.1
149.13274	2.2
151.07530	2.9
151.11192	2.2
153.53223	0.5
153.96472	0.5
157.10133	2.1
159.11710	0.9
161.09634	7.2
161.13280	4.3
163.11198	5.1
163.14871	1.4
165.09172	2.2
165.12743	0.8
167.10699	1.0
169.10158	0.5
171.11694	1.4
173.13281	0.8
174.63347	0.6
175.11212	5.9
175.14813	1.9
177.12733	1.3
179.10692	2.2
179.14305	2.4
181.12254	1.2
185.13304	1.2
189.12720	1.6
193.12289	1.2
203.14384	0.7
203.17976	7.8
205.19653	0.8
208.12425	0.8
213.16359	2.8
221.18987	2.1
223.14761	1.0
231.17448	9.0
239.23773	1.1
241.15889	1.4
241.19469	0.8
247.28285	0.6
249.18500	12.5
259.20535	1.8
263.22638	0.5
277.18018	73.5
277.21402	5.1
278.18375	0.7
292.70068	0.5
295.19086	10.3
313.27271	1.3
491.36908	0.7
589.44452	31.6
590.46979	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	42.2
56.05033	8.8
57.03435	7.8
67.05505	14.0
67.69208	5.8
69.03440	7.8
69.07069	21.6
70.06254	9.6
70.06596	95.2
70.84982	17.3
71.04977	8.4
72.08150	25.4
79.05499	20.0
81.03436	6.9
81.07042	28.6
83.08630	93.6
84.08152	80.9
85.02899	22.1
86.09725	50.9
91.05479	27.2
93.07057	52.8
95.04987	6.9
95.08598	25.6
99.04435	7.6
99.25919	6.2
105.07018	28.5
107.08577	11.8
109.10148	13.6
111.08084	100.0
112.08720	5.9
113.09629	10.1
114.10497	6.3
115.08644	8.6
119.08577	19.7
121.10148	20.5
123.11710	15.3
129.07005	7.8
129.10240	19.1
131.08556	19.4
133.10100	19.0
135.11699	12.0
141.12776	12.0
143.08551	15.2
145.10114	15.7
147.11699	18.1
155.08560	19.3
157.10135	45.0
159.11716	25.6
161.13249	9.5
165.06973	6.1
169.10040	10.1
171.11627	12.8
173.09604	7.2
173.13239	9.7
181.10049	7.6
183.11696	18.1
185.13277	6.7
187.14828	9.7
195.11742	17.8
197.13220	11.3
199.14867	8.0
201.16318	10.7
209.13301	11.1
211.11491	7.3
211.15097	7.0
225.16496	7.9
249.16385	16.6
251.17973	33.2
253.19543	15.7
267.17413	15.6
269.19000	40.2
271.20541	13.6
279.21103	7.7
281.22607	22.9
285.18576	6.7
287.20041	21.3
289.24817	6.3
291.21033	9.3
299.23798	11.1
309.22165	37.3
311.23721	9.0
317.24646	8.4
327.23212	29.7
345.24323	16.9
391.29843	15.2
409.31219	16.3
427.32227	14.6
589.37842	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	588.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.4
55.05515	28.3
57.03431	12.3
57.07064	13.1
59.05009	4.0
62.82359	3.4
67.05508	23.8
68.05854	3.0
69.07068	25.0
69.26143	30.4
71.08624	10.1
79.05512	16.5
81.03426	60.1
81.07063	23.9
83.04985	6.5
83.08628	26.6
85.10191	6.1
91.05482	16.2
93.07048	13.0
94.69329	3.1
95.04977	14.9
95.08613	16.3
97.06538	4.8
97.10165	9.2
103.88311	3.1
105.07030	15.9
107.04973	4.1
107.08601	9.8
109.06497	4.6
109.10171	6.3
111.08056	4.2
113.09673	3.3
119.08569	17.4
121.10129	8.1
129.07002	5.8
131.08548	8.2
133.10172	5.6
145.10097	6.3
147.11700	6.9
149.09613	4.1
157.10158	7.1
161.36000	3.2
175.11179	5.3
184.07324	3.9
184.31381	2.9
193.12271	16.9
267.15924	100.0
277.21509	5.0
278.21945	6.6
307.69537	3.3
311.25790	52.0
503.37415	43.6
588.46741	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	588.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	5.8
55.05511	29.1
57.03437	12.7
57.07070	21.7
58.17051	5.2
59.61388	5.1
66.39636	4.5
67.05505	35.1
69.07074	41.7
70.41980	4.9
71.08633	12.2
71.51618	7.7
79.05499	19.7
81.03427	78.1
81.07071	29.6
83.08620	34.0
91.05484	16.7
93.07064	21.2
95.04980	20.8
95.08613	18.7
97.10168	17.9
105.07030	20.8
105.14831	5.3
106.07367	6.5
107.04964	10.2
107.08592	19.0
108.00105	5.5
108.67424	4.7
109.06485	5.7
109.10129	11.0
111.08097	11.8
114.05516	5.5
117.07061	5.5
119.08588	20.9
121.10130	11.9
131.08580	14.0
133.10141	8.0
135.11613	5.0
137.09673	6.9
145.10097	5.4
147.11671	9.8
157.10144	10.3
159.11638	7.2
175.11203	12.4
193.12277	18.0
223.29399	5.6
267.15915	76.6
270.45605	5.8
275.20038	6.8
276.20462	6.0
277.21619	7.7
278.22110	10.0
311.25842	43.4
313.27396	8.0
332.41943	5.5
407.14218	5.3
503.37305	100.0
548.45331	7.1
588.33533	8.9
588.46606	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	588.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.3
56.05030	0.5
58.06605	0.4
58.56507	0.2
59.04999	0.3
60.04553	0.2
60.08167	6.6
67.05495	0.5
69.07063	0.3
70.06594	0.6
71.01414	0.2
71.07378	3.6
71.23377	0.2
72.08144	0.4
79.05493	0.4
81.07066	0.6
84.08163	0.3
85.02896	0.2
86.09711	31.2
91.05467	0.5
93.07039	0.5
95.08599	0.3
97.02911	0.2
97.09330	0.2
98.98472	4.1
100.18472	0.2
104.10757	3.3
105.07034	0.3
119.08548	0.4
121.10150	0.2
123.08097	0.3
125.00011	22.7
135.07980	0.3
143.01106	0.2
143.08504	0.2
145.10162	0.2
184.07352	100.0
185.07687	0.5
194.92128	0.2
246.72841	0.2
258.11066	0.3
331.75357	0.2
366.03674	0.2
408.34485	0.3
570.35168	1.0
588.36475	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	588.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28949	1.0
53.43304	0.8
55.01867	0.9
55.05511	5.3
55.06511	0.8
56.05017	0.8
57.03422	2.0
59.04993	6.5
60.34766	0.8
61.02926	2.1
67.05505	5.1
69.03427	7.5
69.07066	5.8
70.06570	2.8
71.08636	10.0
71.24373	1.5
72.08158	6.1
73.02882	1.2
76.84387	0.8
79.05480	2.7
81.03400	3.2
81.07063	5.9
83.08623	6.1
84.04484	1.4
84.08121	2.8
85.02902	6.1
86.05590	1.6
86.06072	22.4
86.09695	3.4
87.04450	2.9
89.06033	1.3
91.05476	1.3
93.07047	4.5
95.08601	5.2
96.08104	3.8
97.02875	3.0
97.06510	2.4
97.10196	1.7
98.06074	2.3
98.09698	9.2
99.04459	1.7
99.08104	12.8
107.08604	3.8
108.08097	3.3
109.02848	2.3
109.10161	2.3
111.08076	1.2
114.09148	1.6
116.10734	61.7
117.09126	1.2
119.08597	1.6
121.10128	1.7
122.09700	4.5
122.10420	1.2
123.11703	1.2
124.07564	1.3
125.00012	2.2
126.09129	0.8
127.03911	4.1
128.72646	1.0
135.08141	0.8
135.11642	1.0
138.09076	0.9
140.10622	1.8
143.10680	1.5
145.04988	1.2
149.13225	3.3
154.15900	1.5
166.15913	0.8
167.14282	1.1
184.07318	6.9
187.98640	0.8
196.16948	3.6
214.18030	45.7
220.70058	0.9
226.87415	0.8
231.15936	3.1
238.17989	1.2
239.16397	3.6
243.12186	1.2
257.17459	4.6
261.13461	4.3
292.22586	2.4
294.57327	0.9
310.20480	0.9
310.23813	17.3
328.24829	100.0
376.23413	5.4
408.31210	1.5
426.32199	10.7
441.81580	1.0
472.28894	1.6
490.30148	25.4
588.37415	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	588.3207
Annotation	Nummularine R
Peak:m/z	Relative Intensity
53.03939	5.6
55.05516	12.6
57.07069	6.7
58.99578	3.9
65.03932	3.3
67.05508	28.8
69.03430	42.4
69.07072	18.2
70.06586	2.5
71.04987	7.8
71.08620	2.0
75.02694	3.5
76.02224	7.1
79.05495	35.3
81.07058	100.0
83.08606	7.8
84.08147	4.4
85.02876	2.5
85.06525	2.7
86.09698	2.8
86.99047	2.2
91.05477	23.6
91.42718	2.0
93.07047	59.1
95.04956	5.8
95.08613	56.1
97.02283	1.9
97.06532	15.6
97.10169	4.8
99.08103	2.1
105.00081	5.2
105.07034	55.7
107.08599	91.8
109.06514	10.9
109.10156	40.4
111.08059	6.0
111.11693	2.3
117.07013	6.6
119.06065	1.7
119.08587	69.0
121.10152	53.7
121.11040	2.8
122.02730	39.0
123.08083	9.1
123.11729	19.2
125.09633	97.4
127.11198	10.4
128.06210	1.7
129.03680	1.9
129.06952	2.1
131.08578	15.8
133.10144	28.3
135.08003	2.6
135.11702	28.5
137.13255	3.9
139.11180	2.8
142.07782	3.2
143.08572	7.9
145.10132	34.3
147.11707	32.5
149.13275	33.6
151.11198	18.1
151.14827	2.0
157.10141	20.0
159.11711	38.5
161.13268	17.6
163.14799	11.8
165.12660	3.7
171.11684	12.2
173.13269	16.9
175.14845	15.4
177.12772	2.4
177.15067	2.4
177.16389	12.9
185.13306	9.4
187.14841	15.4
189.16319	9.3
191.14308	2.1
191.17931	4.5
193.15877	3.1
199.14833	13.2
201.16399	14.9
203.17967	34.4
213.16391	34.2
215.17906	4.1
217.15921	3.4
219.17407	5.3
227.17900	7.9
228.10542	1.9
229.19525	5.8
231.78969	2.0
241.19481	3.2
269.22641	40.5
287.23679	27.9
296.68359	1.7
300.71191	1.7
319.20865	2.2
408.25623	15.0
409.26318	1.7
413.81613	2.0
415.55936	1.9
425.04846	1.8
560.04596	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	588.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.6
55.01868	4.6
55.05510	8.9
56.05026	2.1
65.03934	3.8
67.05501	11.3
68.05029	2.1
69.03431	9.9
69.07075	24.4
70.06596	35.7
71.05000	4.7
72.08150	18.1
73.06537	2.0
79.05490	16.4
81.03419	18.9
81.07065	10.5
83.04493	3.7
83.04984	61.8
84.04510	12.9
84.08145	17.6
85.02900	6.9
85.04865	1.8
86.06081	4.7
86.09721	22.6
91.05493	19.7
93.07050	12.4
94.06590	9.3
95.04961	24.6
95.06105	1.8
95.08617	5.1
96.04481	3.2
97.02885	5.3
97.06533	41.4
98.06041	4.9
99.04460	7.2
102.05539	2.3
104.98842	1.9
105.04470	2.3
105.07037	47.3
107.04952	5.7
107.08614	16.4
109.02876	6.2
109.06528	14.1
109.10172	2.8
110.06044	4.9
111.04488	2.2
112.03973	32.2
112.07607	5.2
113.05921	1.9
114.05544	14.6
116.07104	5.4
117.07045	9.7
119.04980	5.3
119.08589	9.7
120.08163	3.8
121.06510	30.9
122.06034	12.5
123.04436	20.0
125.06001	74.6
126.05542	2.7
126.06527	1.8
127.03922	4.0
128.06245	3.8
129.07014	5.2
129.10249	5.8
130.05043	2.7
130.07787	5.0
131.04982	2.3
131.08559	14.4
133.06493	6.9
133.10112	4.5
135.07988	3.3
135.11748	5.1
137.06013	9.4
139.07556	2.2
140.07074	74.5
141.05502	2.4
143.07050	34.9
143.08551	8.8
144.09348	4.3
145.06482	10.3
145.10127	79.0
147.11707	4.0
149.05975	1.9
151.07558	9.0
154.07788	4.0
155.08531	5.3
158.08183	49.5
159.08051	6.9
159.11670	25.0
163.11162	14.1
167.08537	2.1
169.10114	7.2
171.07985	3.1
172.08882	3.2
173.09645	45.3
176.09189	100.0
177.12788	7.6
179.08478	2.4
185.16527	2.3
187.11197	47.2
189.12735	2.8
191.10669	17.7
193.08730	2.8
197.09650	7.9
201.12378	4.0
205.12216	29.9
209.11797	4.1
211.14395	2.4
215.10663	42.6
215.13905	3.2
218.10406	2.2
229.14381	6.3
233.11745	26.4
245.15054	2.8
251.12782	11.8
257.11996	2.1
266.10312	2.6
273.12408	3.6
275.12833	2.7
316.61057	2.2
338.14493	6.8
384.95898	2.5
395.16928	2.6
413.18201	8.9
426.21429	3.7
552.24225	2.2
570.25378	8.2
588.26440	78.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.5
55.01872	3.0
55.05270	2.0
55.05516	24.4
57.03442	6.2
57.07082	10.6
59.05009	1.2
65.03951	2.7
67.05509	55.0
68.66026	0.9
69.07074	29.1
71.04988	2.7
71.08646	8.5
71.11588	2.4
79.05501	36.3
79.57521	1.0
80.05846	1.1
81.07065	61.0
83.04990	3.0
83.08620	17.2
85.06543	3.8
85.10191	3.6
91.05489	30.7
93.07050	40.1
93.07645	1.9
95.04983	3.5
95.08617	49.8
97.06538	5.2
97.10169	9.5
98.40275	1.0
99.08096	4.1
99.39516	1.2
100.05730	1.0
103.05497	1.1
105.04525	1.3
105.07040	28.0
107.04990	1.5
107.08602	25.4
109.06527	2.5
109.10170	23.1
109.10920	1.4
111.08105	2.4
111.11745	2.9
113.09631	1.8
115.05522	1.4
117.07021	8.9
119.08589	26.2
121.10152	19.9
123.11740	9.4
125.09645	2.4
129.07018	4.5
130.43243	1.1
131.08574	14.8
133.10144	19.5
135.08095	1.7
135.11703	16.1
137.09669	2.3
137.13303	3.1
139.11320	1.2
143.08583	3.7
145.10129	17.9
147.11697	11.9
149.09647	2.2
149.13286	9.0
151.11195	2.9
151.14841	2.0
153.12752	1.2
153.32912	1.1
155.08582	2.3
157.10121	5.9
159.11717	12.3
161.13289	10.0
163.11214	3.3
163.14862	2.9
165.16357	1.4
169.10167	2.0
171.11620	5.7
173.13248	7.5
175.14880	7.6
177.12823	1.3
177.16399	2.9
179.14352	1.8
183.11752	2.6
185.13307	3.9
187.14859	4.9
189.16431	4.2
191.18022	1.6
197.13329	2.7
199.14862	4.4
201.16400	2.8
203.17926	2.4
205.19597	1.4
211.14917	1.9
213.14848	1.2
215.18010	4.3
217.15910	1.3
217.19617	2.1
219.17543	1.8
219.21083	2.3
227.18079	1.8
233.19046	4.6
233.22734	1.3
241.19591	3.4
243.21135	2.8
245.19116	1.4
247.20578	1.3
257.19043	3.1
259.20572	6.7
261.22220	8.3
269.22675	1.2
273.22214	1.2
275.20139	5.8
277.21652	4.6
279.19568	1.2
279.22873	1.2
295.22888	1.3
307.22705	2.0
309.24246	8.6
311.25864	3.6
323.26132	1.4
333.24222	2.9
335.25848	5.0
337.27472	4.2
421.34485	1.3
475.37750	1.1
477.41144	2.5
495.42029	8.8
513.42450	1.3
517.39178	1.5
531.40729	1.5
569.45758	12.4
587.46729	100.0
588.46918	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	587.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87733	0.9
51.02367	1.1
53.03932	3.9
55.01864	2.3
55.05511	26.3
55.30605	0.8
57.03448	6.8
57.07084	9.4
65.03937	3.7
65.64307	0.9
67.05507	60.9
69.07069	28.8
69.07410	0.8
70.80445	1.4
70.80777	1.6
71.05013	1.2
71.08640	5.3
79.05495	39.8
81.03397	1.0
81.07059	64.9
83.04971	1.7
83.08623	14.0
85.06538	3.4
85.10187	2.1
91.05487	27.7
93.07047	41.8
93.07639	2.0
95.04990	2.6
95.08611	48.3
96.08923	1.0
97.06532	4.5
97.10165	8.7
99.08113	3.7
102.63472	1.0
105.04546	1.3
105.07034	28.5
107.08598	23.3
109.06524	2.3
109.10156	18.8
109.10848	1.6
111.08114	1.7
111.11691	2.4
113.09621	1.3
117.07034	9.1
119.08582	26.1
121.10143	22.5
123.08054	2.0
123.11712	8.1
125.13311	1.1
129.06990	5.0
131.08563	14.9
131.34650	1.0
133.10129	19.9
135.08125	1.2
135.11694	14.2
137.09631	1.4
137.13258	5.7
142.07745	1.0
143.08527	5.7
145.10129	13.9
147.11694	15.1
149.09718	1.1
149.13277	11.4
151.14912	1.3
155.08585	1.1
157.10156	4.2
159.11705	11.6
161.13277	8.9
163.11211	1.7
163.14818	5.0
166.55319	1.0
169.10129	2.1
171.11690	4.4
173.13255	8.3
175.14781	5.2
177.16408	3.0
181.10257	1.0
183.11694	2.8
185.13283	4.1
187.14883	5.2
189.16304	4.6
191.17972	2.7
197.13101	1.4
199.14825	3.8
201.16414	2.9
203.17947	2.2
205.19598	1.4
209.15460	1.0
213.16469	2.6
215.17998	3.7
217.19580	4.6
219.21030	1.6
229.19640	1.7
229.34435	1.0
231.21083	1.8
233.18977	5.2
233.22783	1.2
235.20541	1.6
239.18016	1.6
241.19638	2.2
243.21150	2.1
245.22749	1.4
247.20616	1.8
259.20465	5.8
261.22131	8.4
273.22250	1.7
275.20074	1.1
275.23663	1.3
277.21503	2.0
287.23718	1.5
299.23932	0.9
307.22742	2.4
309.24185	11.5
311.25848	5.4
317.24796	1.6
321.24298	1.1
323.25986	1.7
333.24265	3.0
335.25821	7.2
337.27414	3.2
343.30023	1.1
357.31686	1.6
382.27454	1.2
475.38538	1.4
477.40982	2.1
489.39316	2.8
495.41937	10.9
513.43176	4.3
566.13202	1.3
569.45697	17.9
587.46698	100.0
588.46973	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	587.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12359	4.0
53.03939	5.9
55.01874	5.1
55.05523	33.8
57.03421	7.6
57.07084	20.5
65.03969	3.7
65.80368	3.4
67.05512	84.1
69.07075	41.8
71.04998	6.6
71.08632	9.6
77.30537	3.8
79.05500	65.4
81.07068	86.9
83.04987	5.3
83.08632	27.0
83.44964	3.6
85.06525	9.1
89.00916	3.9
91.05490	45.2
93.07056	56.1
95.08617	71.5
95.09193	7.5
97.06511	7.0
97.10162	11.8
98.21505	13.3
105.07040	40.5
107.08614	36.1
109.10159	32.4
110.48953	3.4
111.08009	6.5
111.11729	6.7
117.07028	7.1
119.08596	35.5
121.10160	32.0
123.08091	3.6
123.11704	14.6
131.08574	19.1
133.10153	30.9
135.11720	23.5
137.13254	5.0
143.08569	6.1
145.10135	20.5
147.11725	19.0
149.13248	13.3
157.10118	5.3
159.11720	15.4
161.13274	10.3
163.14813	4.8
169.09990	4.7
171.11702	5.4
173.13280	6.5
175.14818	8.5
177.16339	4.2
185.13251	7.0
187.14818	6.2
191.17888	4.0
215.18028	8.0
217.19460	7.5
235.20599	12.4
243.20749	4.6
257.18942	7.6
259.20578	7.4
261.22110	9.8
275.20114	8.6
293.21133	4.1
307.22311	4.6
308.79675	4.2
309.24249	17.1
311.26123	3.8
317.24832	4.4
335.25699	24.3
337.27356	4.8
399.04700	4.3
494.30124	4.3
495.41913	9.3
569.45819	17.6
587.46930	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49539	0.4
55.05517	8.5
56.05015	0.5
57.05814	0.5
57.16012	0.4
60.29903	0.4
63.73815	0.4
70.02961	0.8
70.06593	2.5
70.15933	1.5
72.08160	100.0
76.09704	0.3
84.08157	1.2
86.09715	4.0
88.04002	1.1
94.88586	0.4
96.08131	0.5
98.02431	0.4
98.09702	4.0
99.09237	0.4
115.08698	22.2
118.86741	0.3
120.08124	1.1
124.07612	0.4
127.08705	2.5
129.10249	0.7
132.10245	1.1
141.06589	0.7
141.10223	0.7
142.08691	3.5
143.08170	21.2
143.11807	6.9
152.07123	0.7
153.10239	0.5
169.09717	2.9
169.13382	4.1
170.08118	0.7
171.11276	5.1
187.07222	0.6
187.10799	20.0
191.76704	0.4
197.12878	7.5
203.46536	0.4
212.10349	0.6
214.15582	0.6
215.10292	17.9
216.81104	0.4
224.14040	0.9
231.17047	3.9
241.11951	0.8
242.15007	5.8
258.10889	0.5
268.16699	0.6
269.11328	0.5
270.14868	0.5
286.14047	8.0
286.17664	1.1
296.12753	0.4
296.16351	0.5
296.19827	1.7
311.17151	1.1
314.17099	3.3
328.18402	0.5
329.18295	1.0
339.16794	1.5
346.19730	1.9
357.17715	31.9
358.17996	0.5
367.19772	0.5
385.20905	2.8
410.24088	0.9
411.22354	2.7
413.20428	0.6
427.25339	0.5
428.25064	8.6
428.30460	0.6
438.23557	1.2
445.26968	1.3
456.24542	9.6
470.26535	0.6
587.34204	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05003	0.3
70.06596	60.2
70.40493	0.8
70.40842	0.2
71.06896	0.3
72.38293	0.2
72.75414	0.3
75.64462	0.2
78.01564	0.2
81.89201	0.2
86.09735	0.4
89.06055	0.3
116.07098	100.0
117.07431	0.5
133.08615	0.4
155.75162	0.2
184.07381	1.0
185.10892	0.2
195.12323	0.7
263.14444	0.4
451.69751	0.3
558.30573	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94210	0.6
55.05518	3.7
55.73520	0.6
57.07082	32.5
59.02244	0.6
59.05017	1.4
67.05511	3.0
69.07076	4.4
71.08638	23.3
73.06567	8.8
75.39931	0.6
79.05508	2.6
81.07071	4.4
83.08652	3.2
83.80854	0.6
84.05336	0.6
84.25918	0.6
85.10191	20.1
87.04481	6.1
89.06042	100.0
91.05486	3.4
91.06715	0.7
91.07616	1.1
93.07059	4.0
95.04999	1.3
95.08618	2.7
96.08995	1.0
97.06538	0.7
97.10151	3.8
98.20699	1.4
99.11748	4.4
105.07042	5.2
106.07400	1.1
107.07114	1.7
107.08608	2.8
109.06529	2.3
109.10190	2.4
111.11774	0.9
113.13296	1.3
117.07032	1.0
117.09147	6.5
119.08584	5.2
120.08990	1.0
121.10171	2.5
123.08055	1.2
129.06999	0.9
130.08656	2.1
130.54666	0.6
131.07057	1.4
131.08582	2.6
133.08617	51.4
133.10051	3.7
133.21588	0.8
134.10492	0.9
135.08096	1.2
135.10255	0.9
135.11693	1.1
142.07826	0.9
143.08556	2.5
145.10146	4.7
146.10541	1.8
147.11716	1.6
155.17953	4.0
156.09297	0.7
157.10181	3.0
158.10596	1.0
159.10432	0.6
159.11703	2.4
160.12048	0.9
161.11818	1.3
169.10109	1.1
171.11693	1.2
172.12119	1.1
175.09734	1.2
177.11243	16.1
177.12698	1.1
181.10114	0.9
183.11603	0.7
184.07355	1.2
185.13249	1.3
187.14792	0.8
196.12273	0.8
197.13264	1.2
199.20612	4.2
213.44223	0.6
221.13823	4.0
224.15266	0.8
239.14882	1.1
240.23195	0.8
243.23213	7.3
265.16266	0.8
283.17474	1.3
287.25833	5.2
327.20316	1.5
371.22894	1.6
415.25473	4.4
481.37213	1.3
568.42743	0.9
569.42719	5.1
586.44562	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	585.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.01871	3.2
55.05515	23.4
57.03441	7.7
57.07082	8.2
59.05007	3.2
67.05508	51.3
69.03427	1.7
69.07070	25.5
71.04980	2.4
71.08626	3.5
71.51457	2.0
73.06550	4.8
79.05496	32.4
81.03432	2.3
81.07059	59.3
82.07409	1.4
83.04984	2.7
83.08630	11.6
85.06522	1.5
89.06029	1.6
91.05486	36.3
93.07052	35.3
94.07399	1.2
95.04968	2.8
95.08613	36.9
97.06525	4.2
97.10156	5.8
99.08096	3.2
101.06077	1.7
105.07038	34.4
107.08601	20.7
109.06529	2.9
109.10162	14.8
111.08041	2.8
111.11671	1.7
117.07018	10.3
119.08588	28.4
121.06511	1.6
121.10148	16.1
123.08074	3.0
123.11755	6.1
128.06212	1.8
129.07031	6.1
131.08575	15.0
131.10721	1.5
133.10136	24.0
135.11716	14.8
135.12738	1.8
136.54240	1.3
137.09647	2.0
137.13246	2.8
142.07747	2.0
143.08551	8.3
145.10126	20.6
147.11691	16.3
149.09671	2.2
149.13245	5.1
154.97412	1.5
155.08556	3.1
157.10168	9.8
157.50456	1.1
159.11713	15.5
161.09702	1.4
161.13255	12.5
163.11203	2.8
163.14848	3.2
169.10136	4.4
171.11707	6.7
173.13298	9.3
175.14798	7.2
177.16321	1.3
177.30391	1.2
181.10197	1.7
183.11700	5.2
185.13286	5.0
187.11371	1.2
187.14882	4.1
189.16296	1.3
193.71036	1.1
195.11665	1.7
197.13303	2.1
199.14821	4.7
201.16380	2.5
203.17955	1.3
209.13118	1.8
211.14713	1.9
213.16374	2.6
215.18008	3.0
217.19565	2.4
221.15421	2.1
225.16400	1.3
227.17880	2.5
231.17497	2.5
231.21089	2.9
233.19031	3.5
235.20656	1.6
239.17987	2.6
241.19479	8.2
247.17116	1.4
249.10997	35.8
257.18973	3.6
259.20554	16.5
265.19321	1.3
265.21866	1.2
271.20514	1.5
275.20016	4.7
305.13577	4.3
309.24271	17.6
309.83392	1.3
311.25781	1.6
315.23663	1.1
331.22562	1.5
333.24252	9.3
335.25858	1.9
371.22885	1.4
381.31601	1.2
395.33350	1.2
475.39200	2.5
493.40512	5.4
511.41312	2.1
567.44098	7.5
585.37347	100.0
585.45203	53.2
586.37793	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	585.452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
55.05516	15.2
55.97474	2.6
57.03453	3.7
57.07071	9.3
59.04993	7.8
62.25261	2.5
67.05184	4.0
67.05511	53.1
69.07066	19.7
70.06593	3.3
71.08659	3.7
71.17664	3.5
71.17995	3.8
72.77132	2.6
79.05492	35.3
81.07056	49.8
83.08617	10.9
91.05492	29.0
93.07054	37.7
95.08612	43.9
97.06530	4.3
97.10148	5.6
99.38982	2.6
105.07043	29.9
107.08599	27.1
109.06541	2.6
109.10166	25.5
111.08086	4.9
117.06999	9.6
119.08584	22.7
121.10140	18.7
123.11712	8.2
129.07024	6.8
131.08562	15.8
133.10150	23.7
135.11728	14.6
139.11139	2.6
143.08562	5.1
145.10115	19.2
147.11693	20.7
149.09608	2.8
149.13264	6.1
155.08545	4.5
157.10127	6.6
159.11646	15.2
161.13257	11.5
163.14799	4.7
169.10049	5.5
169.35841	2.8
171.11694	11.2
173.13286	12.7
175.14824	3.7
185.13205	6.0
187.14851	9.6
197.13234	4.7
199.14737	4.3
201.16519	3.1
211.14888	3.5
213.16406	4.7
215.17944	4.9
219.17346	3.6
231.17484	4.8
241.19670	3.2
259.20615	5.2
261.22183	3.9
301.29202	3.9
307.22699	5.2
311.29410	6.5
335.25739	5.7
355.02362	2.7
396.17633	2.6
493.40213	9.1
511.42371	3.8
567.44598	12.7
585.44904	100.0
585.56055	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	585.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.0
55.01878	2.6
55.05511	18.8
56.01085	1.4
57.03424	4.6
57.07066	3.1
67.05509	46.9
69.07079	16.5
69.80833	6.2
71.04993	2.6
71.08647	2.3
73.96751	1.4
74.27865	1.3
78.64587	1.3
79.05501	32.2
81.07062	58.1
83.04993	1.3
83.08630	8.6
85.06551	2.9
91.05491	27.0
91.06030	2.4
93.07052	41.2
95.04981	1.7
95.08613	43.2
97.06551	3.7
97.10187	4.8
99.08077	2.6
103.05447	1.5
104.23885	1.4
105.07037	30.4
107.08604	21.6
109.06559	1.5
109.10174	23.2
111.08104	1.7
115.17950	1.3
117.07043	10.1
119.08591	27.0
121.10153	22.8
123.11712	8.4
128.06265	1.8
129.07027	5.6
131.08582	21.0
133.10150	24.8
135.08128	1.4
135.11702	17.2
137.09654	1.7
137.13303	3.2
142.07858	1.4
143.08569	7.2
145.10135	19.2
147.11705	17.5
149.09674	2.1
149.13292	7.6
155.08524	2.2
157.10153	7.5
159.11705	15.6
161.13266	11.6
163.11215	1.3
163.14848	4.6
169.10190	2.2
171.11699	8.4
173.13275	12.7
175.14867	5.7
177.12785	1.2
177.16444	1.9
183.11699	5.8
185.13300	7.4
187.14850	7.1
189.16443	4.2
191.17963	1.8
197.13231	3.2
199.14891	3.8
201.16461	4.1
203.18007	2.4
209.13322	2.1
213.16403	7.0
215.18022	5.3
217.19606	3.2
227.18098	3.1
229.19594	2.4
231.17578	5.2
233.19125	4.0
241.19534	2.7
243.21129	2.2
255.21228	1.6
259.20639	4.3
261.22202	5.1
305.21124	2.0
307.22632	7.9
309.24417	5.4
313.25153	1.5
317.24591	1.7
324.18967	1.3
333.24335	5.0
335.25937	7.2
337.27490	4.1
475.33868	1.8
487.38593	1.4
493.40469	7.9
511.41589	2.6
567.44098	14.3
581.02411	1.6
583.27069	1.3
585.45197	100.0
586.45471	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	585.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02400	1.3
53.03950	4.1
55.01867	2.9
55.05514	21.3
57.03443	7.2
57.07075	5.9
67.05507	55.6
69.07072	20.8
69.15020	3.9
69.15436	8.9
71.05011	1.5
71.08633	3.0
79.05499	41.4
81.03448	1.4
81.07062	57.1
83.04982	2.3
83.08629	11.4
85.06551	2.2
91.05484	33.8
93.07049	43.6
93.07640	2.1
95.04986	3.2
95.08614	47.3
97.06560	4.2
97.10209	6.4
98.21626	1.9
99.08103	3.4
105.07043	28.6
107.08598	28.0
109.06551	4.1
109.10161	24.7
111.11738	2.2
115.05442	1.3
117.07030	13.9
119.08589	29.0
119.09372	2.1
121.10163	20.3
121.11031	1.3
123.08055	2.1
123.11718	9.2
125.09623	1.8
128.06282	1.8
129.07056	7.2
130.07802	1.4
131.08588	21.0
133.10143	28.6
133.11099	2.3
135.11710	17.5
137.09624	1.7
137.13281	3.2
141.06943	1.3
142.07835	1.9
143.08531	10.0
145.10136	22.2
147.11690	19.9
149.09618	2.1
149.13261	10.9
151.11267	2.0
155.08626	3.2
157.10165	10.3
159.11703	17.6
161.13266	12.2
163.14874	4.2
169.10181	2.9
170.00951	1.4
171.11671	8.7
173.13300	11.5
175.13435	1.1
175.14864	4.8
177.12868	1.7
177.16499	2.2
179.14368	2.9
181.10117	1.8
183.11726	3.6
185.13293	7.2
187.14818	9.4
189.16455	3.3
191.14412	1.1
191.17979	1.2
197.13290	2.9
199.14853	5.2
201.12694	1.2
201.16457	5.2
203.14438	1.4
203.17979	3.9
209.13283	1.5
211.14891	2.8
213.16423	5.0
215.17900	7.6
217.19499	2.7
219.17482	1.4
221.19041	1.4
225.16284	1.9
227.18034	2.9
231.17426	6.1
233.18913	5.7
235.20807	1.3
241.19557	3.2
243.21150	2.4
245.19122	2.0
255.21344	1.6
257.19147	1.7
259.17786	1.3
259.20654	5.3
261.22235	4.7
271.20633	1.4
273.22134	2.2
277.21841	1.9
287.23846	2.1
297.22223	1.2
299.23697	1.4
305.21362	1.8
307.22653	6.2
309.24319	6.7
315.27002	1.4
317.25046	1.6
319.22815	1.3
331.26108	1.3
333.24341	2.9
335.25867	8.1
337.27426	3.3
475.39798	2.5
489.35864	1.4
493.40509	10.3
501.35974	2.1
511.41315	4.0
515.37604	2.4
567.44336	12.8
585.45209	100.0
586.45447	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	585.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.3
55.05521	21.4
57.07071	12.9
59.04986	5.0
65.03927	4.0
67.05247	3.3
67.05516	40.3
69.07081	21.9
71.04993	6.8
71.08611	9.1
71.51665	6.9
74.60358	3.4
79.05505	44.6
79.67939	3.4
81.03424	4.3
81.06598	4.1
81.07066	73.1
83.04968	8.0
83.08613	10.8
85.06533	6.5
88.44260	3.2
89.06044	22.4
91.05492	53.3
93.06503	4.1
93.07058	61.0
95.04971	16.4
95.08609	49.2
97.06522	4.2
97.10175	6.9
102.27465	3.2
103.05466	6.4
103.70783	3.3
104.98310	3.4
105.07039	94.9
107.04996	5.2
107.08609	54.6
109.06525	50.5
109.10160	40.2
109.40675	3.2
111.08089	4.7
115.05425	6.0
116.06302	3.9
117.07014	20.6
119.08588	100.0
121.06541	3.7
121.10153	62.5
123.08071	13.5
123.11704	14.2
125.09571	5.2
128.06226	9.4
129.07018	18.9
130.07826	5.7
131.08583	54.9
133.08559	9.4
133.10147	94.6
134.10556	4.0
135.08104	19.0
135.11682	22.9
137.09618	9.6
139.11226	7.2
141.07008	4.6
142.07782	15.4
143.08548	32.5
144.09308	4.4
145.09065	6.2
145.10133	86.0
146.33157	3.6
147.04433	17.5
147.08075	6.8
147.11705	37.9
149.09645	6.7
149.13231	11.0
151.11171	5.4
153.32497	3.7
155.08580	19.5
156.09328	7.9
157.10138	40.5
158.10892	6.3
159.11702	43.1
161.09621	10.7
161.13277	23.6
163.11212	6.1
165.09180	8.5
167.08601	4.8
167.10693	10.1
169.10176	27.1
170.10858	6.7
171.11708	27.6
173.13297	32.4
175.11160	4.5
175.14879	17.4
177.11234	5.6
179.08638	4.9
181.10007	7.3
182.10876	8.7
183.11725	26.4
185.13293	17.3
187.14847	14.2
191.14330	24.5
193.10196	9.9
195.11787	18.3
196.12355	5.1
197.13266	19.6
199.14801	7.5
201.16356	8.9
203.14326	13.6
207.11670	8.2
209.13254	21.5
209.15247	6.5
210.13766	4.3
211.14870	17.2
213.16283	8.4
217.15894	5.2
220.12300	5.2
221.13347	8.1
221.15398	6.2
223.14781	9.5
225.16434	23.4
226.17171	8.7
231.17542	6.2
233.13237	4.3
233.15279	3.8
235.14711	8.0
237.16245	4.1
239.18031	5.6
249.16328	6.6
251.17973	5.4
259.13318	12.5
263.18091	5.1
346.26599	3.9
361.25391	5.2
363.26917	9.8
429.19101	4.1
429.31281	4.8
452.21625	4.9
536.31122	3.6
549.25153	5.6
549.40723	5.9
567.26215	28.2
567.41986	25.2
585.27448	7.4
585.44281	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	585.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.3
53.12078	3.6
55.05509	13.7
57.07076	7.8
65.03941	3.8
67.05247	3.4
67.05513	37.0
69.03421	7.1
69.07082	21.6
71.04971	3.8
79.05501	29.2
81.07060	48.5
83.04970	6.4
83.08605	10.9
85.06567	6.5
91.05484	50.4
93.07053	66.0
95.04966	11.3
95.08613	52.9
97.06523	7.6
103.05477	6.5
104.07137	4.5
105.07041	76.2
107.08608	68.4
109.06519	9.7
109.10163	47.7
115.05438	6.3
117.06993	17.1
119.08595	100.0
121.06488	5.8
121.09342	5.0
121.10158	75.3
123.08076	7.7
123.11726	21.7
125.09643	3.9
128.06253	9.6
129.07016	12.4
130.07742	8.0
131.08572	43.1
133.10150	72.6
134.10547	3.8
135.08078	23.4
135.11703	38.6
137.09657	17.1
139.11142	8.4
141.06984	7.3
142.07793	17.9
143.08577	30.3
143.79977	3.4
144.09305	5.0
145.10139	65.1
146.10513	5.6
147.08049	5.3
147.11703	32.4
149.09624	13.8
149.13268	10.5
151.11183	8.1
155.08551	12.8
156.09337	12.1
157.10139	42.9
158.10910	5.6
159.08051	8.4
159.11703	35.6
161.09581	11.6
161.13258	13.2
163.11192	5.2
167.08549	4.4
169.10141	23.5
170.10916	5.6
171.11691	28.9
173.13268	32.1
175.11140	6.2
175.14844	40.5
179.08598	10.3
180.09358	5.4
181.10123	11.8
182.10904	7.1
183.11723	20.2
184.12439	6.7
185.13261	16.3
187.14854	25.5
189.12762	6.4
189.16408	8.0
191.14310	4.4
193.10153	8.7
193.15909	4.2
194.10861	7.8
195.11708	11.6
197.13301	20.0
199.11143	4.2
199.14847	15.4
201.12746	4.2
201.16370	10.8
205.15858	4.5
207.11749	7.6
208.12495	7.2
209.13347	22.3
211.14838	13.7
212.15628	4.1
213.12703	7.2
213.16365	12.3
215.17827	4.2
219.17598	4.5
221.13316	7.9
223.14807	12.1
225.12740	4.0
225.16389	5.7
227.17876	4.5
233.13242	7.8
234.14125	3.4
235.14807	10.3
237.16368	8.0
239.14215	4.8
239.17935	5.5
241.19591	4.3
247.14832	4.2
249.16325	5.5
251.18077	5.9
253.19644	4.2
257.18997	9.9
259.20532	5.4
261.16409	9.0
263.17926	4.2
265.19492	6.9
267.21118	5.4
275.17715	5.9
277.19394	5.5
283.20547	12.2
285.16376	3.5
285.22202	10.8
309.22003	3.8
429.31555	5.0
445.31000	5.0
455.31705	3.9
549.41095	7.4
567.42096	26.6
585.43414	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51584	0.6
53.03942	1.9
55.01870	2.1
55.05518	12.3
57.02821	0.6
57.03448	6.2
57.07086	4.0
59.04990	1.4
67.05514	27.2
69.06741	1.0
69.07081	14.0
69.16150	1.5
69.16554	5.5
71.05000	1.7
71.08632	2.7
73.06541	2.7
79.05079	1.2
79.05506	16.3
81.03423	0.8
81.07069	33.0
83.04984	1.6
83.08633	8.1
85.06546	1.4
85.10174	1.0
86.55910	0.6
89.06019	1.4
91.05498	18.0
93.06490	1.2
93.07054	18.8
95.04981	2.7
95.08619	22.1
97.06534	2.6
97.10158	2.6
98.20787	1.2
99.08096	2.4
105.07048	17.7
107.08614	11.3
109.06498	1.2
109.10169	9.7
111.08076	1.2
117.07046	6.3
119.07809	1.1
119.08598	14.3
121.10158	10.0
121.17004	0.6
123.08072	1.0
123.11729	3.9
125.09635	1.3
128.06250	1.2
129.07010	3.7
131.08577	10.4
131.10684	0.9
133.10149	12.1
135.08070	1.3
135.11703	7.8
137.09686	1.1
137.13263	1.8
139.11185	1.1
141.06995	1.1
142.07784	1.6
143.08589	4.5
145.10156	8.9
147.11690	9.4
149.09680	1.3
149.13283	4.1
155.08539	1.4
156.09454	0.8
157.10118	4.2
159.11717	8.7
161.09592	0.7
161.13286	6.3
163.11227	1.2
163.14844	1.5
169.10130	1.5
171.11703	3.5
173.09558	0.6
173.13303	6.1
175.14839	3.3
177.16388	0.9
181.10144	1.1
183.11713	2.2
185.13277	3.1
187.14801	3.2
189.16388	1.4
191.17906	0.6
193.15930	0.7
197.13225	2.2
199.14774	1.9
201.16359	2.0
203.18033	0.9
209.13264	0.7
211.14845	1.1
213.16444	1.2
215.17876	1.1
217.19495	0.8
219.13846	0.8
223.14819	0.7
229.19427	1.1
231.17427	0.7
233.19083	1.0
239.18001	1.0
241.19580	6.0
243.21118	0.9
249.11021	35.0
257.18967	2.0
259.20599	8.3
261.21680	0.7
275.20010	2.5
305.13522	4.3
309.24268	11.0
311.25778	1.6
315.23242	0.8
333.24313	5.8
337.27386	1.6
383.33096	0.8
475.39651	1.0
493.40381	4.3
515.37177	0.8
567.44348	3.7
585.37390	100.0
585.45337	25.7
586.37823	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	585.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64154	4.1
53.03939	12.4
55.01871	11.6
55.05515	38.8
57.03427	10.8
57.07071	17.7
61.02913	4.4
67.05182	5.7
67.05515	80.3
67.05866	3.8
69.03432	24.8
69.07086	35.7
71.04994	7.0
71.08599	6.5
71.42983	7.4
73.56889	3.9
74.47005	4.5
79.05495	64.8
81.03433	30.2
81.07069	100.0
83.04979	11.7
83.08624	21.3
85.02904	32.8
89.06032	24.9
91.05497	53.2
93.07056	77.7
94.07415	6.1
95.04971	15.4
95.08614	62.7
96.08942	5.4
97.02896	14.8
97.06532	6.8
97.10159	13.3
99.04454	7.4
103.05529	7.0
105.07047	64.4
106.07356	5.2
107.04969	8.0
107.08598	51.7
109.02886	13.0
109.06512	12.6
109.10160	34.3
111.04460	8.7
115.05463	6.3
117.07050	22.2
119.08588	53.2
120.08895	8.0
121.06493	8.0
121.10170	35.2
122.10522	5.5
122.36698	4.4
123.04505	5.1
123.08099	12.0
123.11707	14.2
124.70374	4.4
127.03908	16.4
129.07018	17.4
130.07799	7.8
131.08580	37.3
133.06502	5.8
133.08615	10.4
133.10126	47.0
134.10480	5.2
135.08023	9.8
135.11700	27.4
137.09668	5.2
142.07762	7.9
143.08537	18.5
145.10147	51.6
146.10474	7.3
147.08061	13.7
147.11705	21.7
147.96796	4.1
149.09618	9.4
149.13261	12.9
151.07549	6.9
155.08560	7.9
157.10149	25.3
158.10513	5.3
159.11685	30.8
160.12035	7.9
161.09663	7.4
161.13298	15.6
163.11256	7.9
163.14841	5.6
165.09119	10.8
166.09566	4.4
169.10123	17.8
170.10493	6.6
171.11746	21.3
172.12172	4.3
173.09633	4.9
173.13301	19.6
175.11218	5.3
175.14754	6.6
177.12772	5.4
181.10046	7.4
181.12254	4.9
182.10614	7.5
183.11690	5.2
185.13260	10.0
187.14842	12.3
191.14317	5.6
195.11659	8.1
197.13226	9.2
199.14836	7.6
201.16348	8.8
207.11792	5.1
209.13145	10.9
210.13583	6.9
211.14717	5.0
221.13297	6.3
221.15407	19.6
222.15793	7.3
243.21149	5.5
257.18997	9.9
261.22113	20.0
271.17416	5.2
275.19928	10.0
277.21741	7.5
300.29080	8.3
303.23276	13.1
311.29282	12.7
312.58008	4.6
315.23257	7.3
341.24664	6.1
351.23032	6.5
369.24319	16.2
386.88480	5.2
387.25360	25.2
405.26544	11.6
423.27783	6.6
493.35797	15.4
531.30096	6.9
549.30542	9.0
567.41705	7.8
584.56055	14.3
585.43121	53.6
585.56641	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	585.2713
Annotation	(3Z)-Phytochromobilin
Peak:m/z	Relative Intensity
55.05507	0.8
57.07074	1.1
59.05013	3.8
64.82068	0.4
67.05501	1.2
70.05330	1.5
73.00267	0.5
76.98237	0.5
79.05521	1.0
81.07070	1.1
91.05509	1.2
93.07066	1.4
94.06564	0.8
95.04998	0.5
95.08615	0.9
98.20854	0.5
105.07051	1.2
107.08615	1.3
108.08033	0.4
109.06514	0.4
115.11254	0.6
118.06532	1.0
119.08595	1.4
120.08121	1.9
121.10109	0.9
122.09698	0.6
131.08572	1.0
132.08084	0.8
133.10130	0.7
135.11719	0.7
144.08121	0.4
145.10139	1.2
158.09698	0.8
164.07101	0.7
171.09224	0.7
171.11711	0.6
173.10815	0.9
173.13127	0.4
181.08966	0.5
182.08321	0.5
183.09195	1.2
184.09935	0.8
185.10794	0.6
195.09195	0.9
196.09879	1.0
197.10777	2.8
198.11624	1.3
199.08733	0.6
207.09248	1.3
208.10020	1.5
209.10762	2.3
210.11552	1.7
211.08711	0.4
211.12367	2.4
213.06575	0.5
213.10225	0.6
213.13902	0.8
221.10803	1.3
222.11591	1.2
223.08783	0.7
223.12370	2.4
224.13103	1.0
225.10326	1.5
225.13893	4.3
226.14752	1.4
227.15373	0.8
233.10741	0.6
234.11502	0.6
235.12326	0.9
237.10229	1.1
237.13867	3.8
238.11052	1.0
238.14664	1.0
239.08205	0.7
239.11813	0.9
239.15416	0.9
241.09808	1.5
247.12378	0.9
249.13933	1.6
251.11920	0.7
255.11368	1.0
265.13412	1.2
269.12878	0.5
270.13562	0.5
271.14636	0.7
272.11935	0.5
275.15564	1.7
283.10910	0.6
283.14404	0.6
286.13568	0.5
287.14526	0.7
288.11569	0.6
289.12158	0.7
290.13049	1.3
297.12540	1.3
298.13486	0.8
299.13977	1.1
300.11429	0.5
300.14935	1.0
302.09445	0.8
302.13058	0.6
302.16650	1.2
304.14566	1.1
311.14041	0.8
313.12030	0.5
313.15787	0.6
314.16663	1.0
315.13586	1.3
316.10724	0.6
316.14410	0.9
316.18060	0.6
326.13025	0.6
326.16440	0.6
328.14597	0.9
328.18100	0.7
330.12524	1.0
340.14688	0.5
344.13934	0.6
346.15381	0.5
356.13733	0.6
356.17828	0.6
363.15958	0.4
372.13388	0.6
377.17761	1.8
378.18784	0.9
379.19357	0.7
386.15497	0.4
390.14615	0.8
391.19281	1.8
392.20309	1.1
393.20941	1.3
395.18607	0.7
402.18436	1.0
403.15619	0.7
404.15860	3.2
405.16956	1.5
405.21259	1.2
406.21951	0.6
407.22525	0.9
408.23203	0.8
417.17102	0.8
418.17776	0.7
419.18695	1.9
421.24252	1.1
422.17297	0.8
432.19696	0.9
433.20422	1.5
434.20895	7.7
435.21967	0.6
436.18652	0.8
437.19974	1.6
447.22095	1.0
449.23633	2.5
451.21475	1.5
452.22021	1.4
459.18085	0.7
463.24957	0.8
465.22842	1.4
475.21680	1.0
476.22256	0.8
479.20676	0.8
480.21539	1.6
487.17581	0.6
489.22968	0.8
491.24561	6.3
493.22330	7.6
495.20908	0.7
495.27597	0.7
507.24228	0.8
509.21790	0.9
511.23352	0.5
517.22272	2.4
519.20361	0.5
521.25488	0.7
523.26898	1.5
524.24530	0.6
525.25269	1.9
535.23932	0.9
539.26605	2.6
541.28326	5.4
549.25043	18.1
552.23663	0.7
557.27570	0.6
567.26080	100.0
568.26404	1.7
585.27271	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	584.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06481	0.8
50.22279	1.0
53.61272	0.7
55.05514	5.3
57.07080	29.9
59.05009	1.4
67.05521	8.0
68.05836	1.1
69.07061	5.3
69.14782	1.9
69.15181	8.1
71.08237	1.5
71.08636	29.5
73.06563	8.8
79.05501	6.7
81.07065	7.2
83.03072	1.0
83.08636	6.4
85.10191	16.9
87.04482	5.1
89.06036	100.0
91.05487	5.0
92.05813	1.9
93.07060	7.2
94.07388	1.8
95.08616	5.5
96.08949	1.4
97.10166	5.9
99.11703	2.1
105.07039	5.3
107.08588	3.6
109.10170	2.6
111.11730	2.7
113.13261	1.2
117.07040	2.6
117.09123	4.1
119.08578	5.3
121.10161	2.1
122.10439	1.1
125.13298	2.0
127.14847	2.1
129.06985	1.7
130.08658	2.0
131.07065	1.3
131.08556	2.7
132.08958	1.3
133.08614	55.0
133.10043	4.8
134.10475	1.2
135.11723	1.5
139.14886	1.0
141.16330	1.5
143.08640	2.0
145.10101	1.9
147.11714	2.7
148.11969	1.4
149.13278	1.4
155.08372	1.2
157.10121	2.2
159.11714	1.7
161.13332	1.1
169.10172	1.1
171.11685	1.2
172.12091	1.3
173.13255	0.9
175.09587	1.2
175.14781	1.4
177.11234	21.6
183.11717	1.0
184.12021	1.2
185.13350	1.3
187.14943	1.1
197.13235	1.0
197.22728	2.8
215.17955	1.0
221.13846	3.9
239.15005	0.9
241.19414	0.9
241.25279	2.7
242.19759	1.1
260.20737	1.2
265.16339	1.3
283.17557	1.5
285.28021	6.1
307.22687	2.5
311.29382	0.9
327.20047	1.0
329.30499	3.7
329.33929	1.0
334.24625	1.2
371.22842	6.4
424.33414	1.0
567.44849	6.0
584.43896	15.0
584.54779	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	584.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78928	0.2
55.05510	0.5
57.03453	0.3
59.04997	0.7
67.05491	0.5
68.05046	0.3
70.06593	62.5
70.90694	0.5
79.05484	0.6
81.07058	0.8
82.07436	0.2
85.74319	0.2
89.06080	0.3
91.05459	0.4
93.07049	0.7
95.01384	0.3
95.08624	0.3
105.07049	0.5
109.10170	0.3
116.07093	100.0
117.07437	0.4
119.08585	0.4
121.38939	0.2
133.10080	0.3
147.04402	0.6
148.04819	0.4
234.18552	0.2
238.48839	0.2
252.84114	0.2
259.13242	0.6
260.13824	0.4
584.41864	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34120	0.6
53.62751	0.6
55.05503	2.7
57.07079	39.8
59.05006	17.3
67.05513	1.3
69.03429	0.9
69.07078	3.9
69.42256	1.8
69.42678	2.8
70.06596	0.7
71.08637	31.7
73.06556	7.1
77.06056	0.8
79.05484	1.1
81.07046	1.5
83.08624	3.8
83.83400	0.5
85.10188	21.1
87.03934	1.0
87.04472	19.0
89.06039	52.9
91.05463	1.3
93.07040	1.7
95.08628	1.6
97.10171	4.6
99.11744	3.0
103.03949	100.0
103.07588	14.5
105.07047	1.9
107.07085	1.1
107.08627	1.9
107.66016	0.5
109.10161	0.7
111.11727	3.0
113.13300	2.2
117.09140	5.5
118.47523	0.5
119.07061	1.8
119.08555	1.3
121.08643	1.7
122.92049	0.5
123.08054	0.7
125.13266	1.4
127.14830	1.3
131.07062	5.9
131.08580	1.4
131.51662	0.6
133.08611	16.5
133.10191	1.5
141.16383	1.0
145.10167	1.1
147.06543	11.6
147.10153	7.0
147.11400	0.6
147.11772	0.6
159.11749	1.1
161.11794	1.1
163.09650	3.4
175.09692	2.4
177.11232	6.4
183.21143	3.0
185.13481	0.6
189.16226	0.6
191.09163	6.2
207.12335	2.8
209.13725	0.9
216.17891	0.6
219.12350	0.6
221.13860	1.7
227.23657	2.9
235.11816	5.8
253.16531	1.6
271.26337	7.4
279.14609	1.3
283.17551	0.9
311.29483	0.8
315.28961	4.1
334.12213	0.5
339.20248	2.0
341.22293	0.7
375.77820	0.6
385.20432	3.8
420.83218	0.6
448.71738	0.6
543.62897	0.6
567.41345	2.3
584.43121	4.9
584.56146	2.4
595.51788	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	2.3
53.03947	5.1
55.01871	4.7
55.05511	25.0
57.03435	4.9
57.07070	7.5
57.24199	1.4
63.56266	1.9
65.03941	2.5
67.05511	52.1
69.03453	3.0
69.07071	22.5
70.12966	2.0
71.04993	3.8
71.08642	2.5
79.05498	47.5
81.03417	2.7
81.07059	56.8
83.04993	4.1
83.08612	8.7
83.79983	1.5
85.06536	2.7
85.10201	2.1
87.04465	2.3
89.06041	3.0
89.79247	1.6
91.05487	50.7
93.07050	49.3
94.21517	1.6
95.04968	10.7
95.08617	41.0
95.09187	3.4
97.06525	4.2
97.10165	5.4
98.20784	3.0
103.05431	2.1
105.04494	2.3
105.07037	57.7
107.04954	1.8
107.08599	32.8
109.06541	4.7
109.10153	22.4
111.08158	2.2
115.05489	2.2
116.06306	1.8
117.07016	21.5
119.08582	42.4
121.10151	28.8
123.08070	4.7
123.11740	6.4
125.09635	3.0
128.06265	3.8
128.08841	1.5
129.07057	12.9
130.07797	2.2
131.08594	28.1
133.06506	2.3
133.08626	3.1
133.10133	31.1
134.62857	1.6
135.08075	5.3
135.11717	14.6
137.05989	3.2
137.09648	4.3
139.11197	1.8
141.07005	5.1
142.07835	6.3
143.08583	22.8
144.09335	4.0
145.10123	33.1
146.10573	2.2
146.21861	1.7
147.08084	5.4
147.11710	20.6
149.09608	4.2
149.13260	11.4
151.11206	2.5
155.08537	9.8
156.09377	4.5
157.10138	21.1
158.10858	2.7
158.43338	1.7
159.08113	4.3
159.11687	25.1
161.09680	4.1
161.13240	11.6
163.14873	2.4
165.09140	4.6
167.08522	2.7
169.10126	13.5
170.10844	1.9
171.11664	15.8
173.09711	2.1
173.13234	13.6
175.14873	6.6
177.12830	2.1
177.16406	2.4
179.08647	3.6
180.09265	1.8
181.10146	6.8
181.12273	1.9
183.11681	15.9
185.13287	13.5
187.11221	2.1
187.14888	7.1
189.16475	3.5
191.14339	2.2
193.10126	3.4
195.11705	6.2
196.12303	2.1
197.13292	8.6
199.11201	2.3
199.14870	7.8
201.16425	5.5
207.11786	2.8
209.13321	5.9
211.14911	7.0
213.16432	4.9
215.17982	4.2
217.15883	2.3
221.13312	3.8
221.15427	13.9
223.14848	3.7
225.16461	6.2
227.18051	2.7
231.17508	4.0
235.14778	2.7
237.16411	2.6
239.17992	3.8
241.15717	1.8
241.19595	8.5
245.13020	1.7
257.19104	2.7
259.20609	12.2
261.22186	2.4
273.18643	5.2
273.22000	1.9
274.19101	2.3
286.19424	2.4
307.22830	14.2
309.24371	2.2
333.24347	8.5
353.24677	3.7
491.28595	1.9
491.38831	7.5
509.40039	2.5
513.35461	2.3
565.42365	10.3
583.26050	6.5
583.43500	100.0
584.44006	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.5
55.01868	3.9
55.05516	23.6
55.25542	1.4
57.03438	6.7
57.06170	1.2
57.07087	7.0
59.04988	2.3
65.03940	5.4
67.05508	60.7
68.84068	1.4
69.03434	2.2
69.07074	28.7
71.05008	3.5
71.08627	1.3
79.05498	57.1
81.07062	59.6
83.04989	4.6
83.08620	15.9
85.06554	4.6
89.06049	3.2
91.05486	50.0
93.07053	56.8
95.04956	7.9
95.08611	45.3
96.97212	1.3
97.06549	4.3
97.10195	4.3
99.08092	2.1
103.05537	2.4
105.04539	2.3
105.07036	54.3
107.04977	1.9
107.08602	32.7
109.06529	6.2
109.10161	22.4
111.08108	2.0
115.05460	2.7
115.98988	1.4
117.07024	20.5
119.08586	42.8
119.50056	1.4
121.06467	2.0
121.10157	34.5
123.08105	4.4
123.11739	7.8
125.09730	2.3
128.05273	1.6
128.06252	6.3
129.07010	16.0
130.07758	3.6
131.07617	2.6
131.08582	37.4
131.09541	2.6
132.09363	1.6
133.10138	35.8
135.08095	6.3
135.11687	19.8
137.05995	4.4
137.09656	3.7
137.13321	4.1
141.07034	5.7
142.07822	6.0
143.08575	20.5
144.09344	2.1
145.10129	35.2
147.08112	5.0
147.11684	24.3
149.09668	3.5
149.13251	7.3
151.07536	2.8
151.11206	2.9
154.07765	2.6
155.08569	8.8
156.09389	4.2
157.10136	23.4
159.08054	2.2
159.11708	24.1
161.09665	3.1
161.13307	12.3
163.11177	3.5
163.14827	4.3
165.07062	2.3
165.09142	5.3
167.08580	3.2
169.10118	13.2
170.10886	2.5
171.11708	17.4
173.09634	1.8
173.13264	15.3
175.11232	4.0
175.14830	8.3
177.12762	1.4
179.08594	2.4
181.10197	6.8
181.12379	2.0
183.11710	12.3
184.12424	1.5
185.13295	10.4
187.11249	2.3
187.14867	8.5
189.12750	2.6
189.16406	2.0
193.10211	3.4
195.11758	8.7
196.12376	2.3
197.13290	9.4
199.14850	9.6
201.16405	4.0
203.14381	3.2
203.18045	2.9
207.11801	2.9
207.13713	1.9
209.13358	6.4
211.14857	6.4
213.13063	1.9
213.16347	8.5
215.17979	5.2
221.13397	3.4
221.15295	13.3
223.14934	4.1
225.16505	4.4
227.18063	3.9
229.15912	1.6
229.19604	2.2
231.17516	4.2
235.14838	2.8
237.16469	2.8
239.18050	4.7
241.19583	7.7
243.21086	2.2
247.14841	1.7
251.17897	2.5
257.19135	4.3
259.20605	10.4
275.20129	2.5
277.21878	2.6
283.20602	2.0
286.19379	5.3
307.22672	15.0
333.24240	8.4
335.26053	1.8
353.28702	1.9
471.34949	2.4
491.35059	2.2
491.39087	5.2
509.39850	2.1
565.42676	7.1
583.43518	100.0
584.44153	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	583.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.2
55.01873	1.1
55.05512	15.3
57.03438	4.9
57.07074	3.0
59.04985	1.2
65.03947	2.0
67.05506	33.2
68.05839	0.8
69.07069	14.0
70.04343	3.7
71.04982	1.9
71.08624	1.0
76.48550	0.7
77.03911	0.8
79.05495	29.2
80.05824	1.2
81.07059	33.6
81.69477	0.9
83.04979	2.0
83.08617	6.1
85.06542	2.7
85.10161	0.7
91.05483	26.7
91.06022	1.7
93.07047	27.8
95.04976	3.4
95.08610	25.7
96.50723	0.9
97.06525	1.9
97.10192	2.5
98.21552	0.9
99.08072	1.0
103.98750	0.9
105.07034	27.3
107.08599	20.1
109.06529	1.8
109.10159	12.7
111.08076	1.7
115.05474	1.3
117.07030	11.6
119.08586	22.8
121.06573	1.0
121.10143	14.4
123.08094	1.8
123.11704	4.9
125.09631	1.2
128.06213	2.1
129.07008	9.1
131.08568	21.6
133.10132	22.9
135.08067	1.8
135.11690	10.9
137.09642	1.5
139.11243	1.5
141.07019	2.9
142.07794	3.1
143.08574	13.6
144.09378	1.1
145.10118	21.8
147.08131	1.6
147.11684	14.7
149.09647	2.0
149.13266	4.8
153.06998	0.8
155.08577	6.2
156.09358	2.4
157.10136	15.2
159.11702	12.4
161.09647	1.1
161.13274	5.9
163.11201	1.8
163.14928	2.7
167.08574	2.6
168.09387	1.1
169.10147	8.8
170.10979	1.2
171.11690	14.3
173.09549	1.2
173.13263	11.2
175.11319	1.3
175.14879	3.8
179.08549	1.3
181.10184	4.7
183.11690	8.7
185.13226	8.3
187.14876	5.5
189.12700	1.1
189.16418	2.9
195.11588	4.1
197.13318	6.4
199.14851	5.5
201.12741	1.4
201.16457	2.8
203.14447	1.2
203.17973	3.1
207.11610	1.5
209.13361	4.9
211.14857	4.3
213.12875	0.9
213.16396	14.0
215.17935	3.9
219.17619	0.9
221.13312	1.9
221.15359	1.9
222.13850	0.8
223.14952	2.4
225.16431	2.9
227.18004	2.2
229.15959	2.4
229.19511	1.7
231.17485	11.6
233.19060	1.8
235.04639	0.9
235.14923	1.5
237.16364	1.7
239.17984	2.7
241.19595	2.0
249.16293	1.5
251.18094	1.4
253.19392	1.0
257.19043	1.7
259.20667	1.8
263.18106	0.9
265.19592	1.4
276.20581	1.1
287.20218	0.9
305.21198	2.8
307.22687	1.6
311.23703	1.1
325.25192	1.3
333.24274	2.0
335.25821	6.2
339.27023	1.1
353.28333	1.1
363.26758	1.2
365.28479	1.4
375.26520	1.0
381.27786	1.7
395.29654	0.8
403.30014	1.4
421.31161	1.7
473.38098	1.8
491.39041	9.9
499.34244	1.1
509.40002	3.6
513.35773	1.5
520.52203	0.8
565.42444	10.3
583.43567	100.0
584.43835	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	583.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.2
55.01865	2.3
55.05511	18.8
57.03441	8.9
57.07069	2.8
60.74442	1.3
65.03933	2.2
67.05509	49.8
69.03419	1.9
69.07070	18.4
70.81001	3.5
70.81354	1.9
71.04974	2.8
79.05495	48.2
81.07062	54.9
83.04987	2.8
83.08619	10.1
85.06553	2.8
91.04907	2.3
91.05485	45.5
93.07047	53.2
95.04967	5.5
95.08614	37.9
97.06523	3.6
97.10197	2.5
99.08128	2.4
103.05488	2.5
105.07037	43.6
107.05018	1.7
107.08607	26.0
109.06503	2.4
109.10158	18.4
111.08114	2.7
115.05464	3.6
117.07014	16.2
119.08588	43.3
121.10156	27.1
123.08102	1.4
123.11715	7.3
125.09650	1.7
128.06253	4.4
129.07031	13.5
130.07797	2.2
131.08569	29.3
133.10138	33.5
135.08110	2.4
135.11707	14.0
137.09639	2.4
137.13235	2.5
141.07039	4.5
142.07791	3.0
143.08585	15.8
144.09390	2.3
145.10135	30.4
147.11703	24.4
149.09721	1.5
149.13268	8.3
155.08549	7.5
156.09370	2.1
157.10114	15.2
159.11723	21.3
161.13287	12.9
163.11145	2.0
163.14891	2.7
167.08647	2.2
169.10153	8.2
170.11005	1.9
171.11707	16.4
173.13292	11.5
175.14780	9.1
177.12721	1.6
181.10120	3.6
183.11661	9.6
185.13271	13.0
187.14861	5.8
189.16412	3.3
191.14322	1.6
195.11739	5.3
197.13219	8.4
199.14746	8.1
201.16473	6.0
205.19460	2.0
209.13353	3.8
211.14815	3.8
213.16417	8.5
215.18018	7.0
221.15503	2.0
223.14951	3.0
225.16440	4.9
227.18074	2.6
229.16061	2.2
231.17540	4.6
231.20998	1.7
233.19133	2.4
237.16452	2.1
239.18018	2.2
241.19537	9.2
243.21162	2.1
253.19679	1.8
257.19089	2.5
259.20587	18.8
261.22250	2.7
265.12830	1.5
265.19373	2.7
299.23761	2.0
305.21347	2.1
307.22690	18.4
309.24542	1.8
309.77899	1.6
313.25427	2.2
315.23294	1.9
333.24329	12.1
335.25900	3.4
353.17734	1.8
353.28412	1.6
367.19336	2.5
381.21082	2.4
400.97964	1.7
423.21548	1.8
437.23044	2.3
453.19513	2.7
468.21841	3.3
469.25949	1.9
473.37997	2.8
491.39417	7.6
496.22375	2.6
509.40210	3.0
513.25342	4.9
541.24396	21.7
542.24805	2.5
547.41461	1.9
555.26056	7.0
565.42523	10.6
583.25885	10.6
583.43585	100.0
584.44208	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	583.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.01876	1.5
55.05274	1.5
55.05512	16.7
57.03425	3.9
57.07067	2.1
59.05014	1.5
65.03935	2.6
67.05506	30.6
69.03430	1.6
69.07070	12.2
69.51440	3.4
69.51868	4.2
71.04977	2.4
79.05499	30.4
80.05840	1.1
81.07056	36.8
83.04967	1.7
83.08624	9.8
85.06543	2.3
86.87917	1.1
91.05483	29.2
93.07045	30.4
94.07388	1.3
95.04956	3.2
95.08614	28.9
97.06528	1.8
97.10179	3.2
99.08099	1.5
103.05513	1.4
104.10728	1.1
105.04525	1.3
105.07031	31.0
107.08601	18.6
109.06537	1.8
109.10168	11.0
111.08078	2.2
115.05461	1.6
116.06260	1.3
117.07021	13.4
119.07727	1.2
119.08586	23.8
121.06607	1.3
121.10145	16.5
123.08106	1.5
123.11707	3.1
125.09705	1.3
128.06201	2.7
129.06999	10.8
130.07813	1.2
130.25111	1.1
131.08562	25.7
133.10123	25.9
134.77264	1.1
135.08086	2.0
135.11697	13.1
137.09648	1.9
137.13245	2.3
141.07007	4.8
142.07803	2.9
143.08577	13.6
145.10123	24.2
147.11694	14.1
149.13266	4.4
154.01039	1.3
154.07748	1.2
154.80167	1.0
155.08551	7.0
157.10156	14.7
158.10991	1.1
159.11688	17.9
161.13242	6.4
163.11234	1.3
163.14923	2.1
165.08990	1.2
168.09381	1.5
169.10152	8.3
171.11705	13.8
173.13252	9.2
175.14848	4.1
179.08609	1.3
181.10168	3.4
182.11044	1.5
183.11700	9.8
185.13214	8.9
187.11176	2.1
187.14876	6.5
189.16403	3.4
193.10153	1.3
195.11726	4.9
197.13280	6.9
199.14836	6.7
201.12949	1.2
201.16489	3.7
203.14336	1.5
203.18044	3.7
207.11729	2.1
209.13324	4.2
211.14888	4.7
213.16432	10.8
215.18010	3.7
219.17442	2.8
220.17798	2.1
221.13271	2.1
221.15300	1.9
222.65347	1.0
223.14882	3.1
225.16423	2.7
227.18037	2.5
229.15936	3.0
229.19524	1.6
231.17419	10.6
233.18912	1.2
235.14879	1.9
237.16347	2.1
239.18054	2.2
241.15733	1.5
241.19600	1.3
251.18068	1.2
257.19101	2.2
261.22205	1.5
271.20883	1.3
275.17557	1.4
276.20670	1.8
305.21317	3.2
307.22812	2.6
311.23798	1.5
331.22876	1.5
335.25839	6.5
462.45660	1.1
473.38120	1.8
485.36404	1.5
491.39044	10.1
501.35941	1.4
509.40329	3.2
513.35730	1.8
565.42249	8.5
573.41473	1.2
583.43542	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.2
55.05516	20.7
57.03442	7.1
57.07072	3.7
65.03942	3.7
67.05510	50.5
69.03437	1.5
69.07076	18.1
69.45965	1.2
70.06812	5.3
71.04994	4.2
71.08620	1.4
73.12823	1.5
74.45434	1.7
79.05496	43.9
81.03446	1.4
81.07062	48.8
83.04967	1.7
83.08614	8.3
85.06549	3.6
89.06040	2.3
91.05490	45.1
93.07047	51.7
95.04977	3.3
95.08612	38.1
97.06546	5.0
97.10160	3.4
97.35052	1.4
98.24516	1.7
99.08147	1.8
105.07040	43.3
107.08607	27.3
109.06580	2.2
109.10169	16.2
112.34441	1.3
115.05518	1.5
117.07020	15.7
119.08587	36.5
121.10156	23.5
123.08067	2.8
123.11734	5.5
128.06276	4.1
129.07034	11.2
130.07704	1.8
131.08577	29.5
133.10141	30.6
135.08083	1.9
135.11708	15.4
137.09624	2.3
138.61800	1.3
141.07019	3.8
142.07863	3.5
143.08578	15.6
145.10147	30.1
147.11688	27.0
149.09642	2.9
149.13275	8.6
151.07658	1.6
151.11259	1.8
155.08585	6.1
157.10168	13.9
159.11693	21.3
161.13275	13.7
163.11198	2.5
163.14908	1.6
167.08572	2.5
168.09427	2.1
169.10110	11.3
171.11696	16.6
173.13286	14.5
175.11256	1.6
175.14862	7.9
181.10133	4.5
183.11743	12.2
185.13307	13.2
187.13237	1.5
187.14845	7.1
189.16452	2.4
193.10225	1.6
194.14453	1.6
195.11781	3.6
197.13263	10.1
199.14812	7.0
201.16405	4.3
203.14375	2.4
209.13332	5.1
211.14868	6.2
213.16435	11.1
215.18069	5.7
217.19531	1.5
221.15414	3.0
223.14900	3.7
225.16441	3.2
227.18022	4.1
229.15930	2.2
229.19362	1.5
231.17494	4.9
233.19087	1.7
235.14845	2.3
237.16411	2.3
239.18018	5.0
241.19582	8.5
257.18915	3.4
259.20602	15.2
261.22278	2.8
265.19574	1.7
269.18912	2.2
305.21188	2.5
307.22678	18.9
309.24438	3.0
333.24268	8.8
335.25858	4.5
339.26697	2.0
353.28635	1.9
367.19510	1.5
409.19977	2.2
453.19150	2.0
468.21878	5.5
469.26245	1.8
491.39264	10.5
496.22757	3.0
499.34097	2.0
509.40036	3.7
513.25134	4.3
539.26379	1.5
541.24573	25.2
542.25201	1.7
547.41663	1.7
555.25879	5.4
565.42615	11.1
583.25958	7.9
583.43597	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.6
53.04550	0.9
55.01847	1.2
55.05523	7.7
57.07080	6.8
59.04992	3.4
65.03930	3.5
66.59016	0.9
67.05510	17.4
68.53093	1.0
69.03429	7.7
69.07069	7.0
71.04260	1.0
71.04592	2.2
71.04993	1.2
77.03895	1.1
79.05066	1.9
79.05495	18.4
81.07069	19.7
83.04985	3.6
83.08655	5.1
85.06555	2.8
86.95037	1.1
91.05484	24.2
93.07050	32.5
95.04978	6.5
95.08612	20.4
95.22330	1.1
97.06531	3.2
103.05453	2.1
105.04507	1.3
105.07034	39.8
107.07885	1.7
107.08601	23.3
109.06535	5.3
109.10167	13.3
111.08105	5.0
111.94389	1.1
115.05454	3.3
116.06280	1.2
117.07021	8.4
119.08594	41.5
121.06508	5.2
121.10161	22.1
122.07307	1.9
123.08095	15.7
123.11732	2.4
125.06040	1.8
125.09627	1.6
128.06239	4.4
129.07002	5.4
130.07793	3.8
131.08588	15.9
132.09245	1.1
133.06532	1.6
133.10143	23.8
135.08080	9.4
135.11687	14.7
137.05975	1.8
137.09637	17.4
138.68748	1.1
141.07013	3.1
142.07803	7.5
143.08586	14.6
144.09335	2.9
145.06503	1.3
145.10129	29.9
147.08061	21.2
147.11716	10.3
149.09583	5.1
149.13277	2.5
151.07562	9.1
151.11185	2.4
155.08577	6.4
156.09338	6.7
157.10138	21.1
158.10876	1.8
159.08096	3.7
159.11693	17.6
160.12477	1.3
161.09622	3.7
161.13272	7.0
163.11215	6.2
165.07027	2.1
165.09134	45.3
166.07799	1.5
167.08571	3.2
167.10721	1.4
168.09401	2.7
169.10133	8.4
170.10889	3.6
171.11702	12.1
173.09700	1.8
173.13284	9.0
175.11217	2.8
175.14899	6.6
177.12869	1.8
178.67508	1.1
179.08603	3.1
179.10738	1.2
180.09329	1.8
181.10162	4.5
181.12230	6.5
182.10912	2.8
183.11711	10.8
185.09779	1.3
185.13295	7.7
186.10336	1.3
187.14842	8.8
189.12761	4.9
191.10616	1.3
191.14400	1.2
192.09468	1.9
193.10155	4.0
194.10916	3.3
195.11667	7.5
197.09689	1.3
197.11736	1.4
197.13310	5.2
199.14850	4.2
201.16403	1.2
203.14334	17.7
205.15837	1.6
206.10794	1.2
207.11717	4.3
207.13823	3.9
208.12489	2.5
209.13310	9.0
210.13983	1.4
211.14841	4.3
213.12808	1.6
213.16429	3.1
215.14340	1.6
220.12221	1.4
221.13400	4.0
221.15381	100.0
222.14061	2.0
222.94974	1.1
223.14900	3.5
225.16440	1.7
227.14191	1.5
229.15865	1.4
233.13312	2.7
235.14752	2.1
237.16504	2.5
239.14474	1.3
239.17863	2.2
241.19737	1.9
247.16917	2.1
249.16402	2.5
260.15741	1.2
265.19513	2.5
273.18735	1.6
277.19409	1.5
283.20517	1.2
287.20316	1.6
299.20108	2.3
313.29852	1.1
349.25699	1.1
351.23227	1.4
352.23959	3.1
353.24506	1.7
365.24924	2.6
367.26346	1.1
378.25708	1.7
397.27432	1.5
411.29065	2.0
437.30679	2.0
438.25040	1.2
473.34604	6.7
491.35327	8.5
503.35239	5.3
547.39563	1.2
565.40411	8.2
583.41644	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.6
53.03953	5.2
55.01872	2.0
55.05310	1.7
55.05520	19.3
57.03440	2.2
57.07078	9.5
59.05008	3.8
65.03939	3.8
67.05510	34.2
69.03433	9.6
69.07077	14.7
69.17470	16.6
72.71713	1.5
79.05072	2.7
79.05502	37.3
81.03427	2.2
81.07059	36.0
83.04993	7.2
83.08640	10.5
85.06541	6.1
85.10217	1.7
91.05490	45.2
93.07053	59.3
95.04972	10.4
95.07995	2.3
95.08612	42.1
97.06533	4.5
97.10197	1.8
98.20797	2.9
99.08073	2.4
103.05470	5.6
105.04522	3.0
105.07041	76.7
107.08607	39.7
109.06526	7.5
109.10167	18.7
111.08068	3.1
115.05466	5.9
115.47868	1.4
117.07045	18.4
119.04852	2.0
119.06086	1.8
119.08592	70.6
120.08926	1.9
121.06478	5.0
121.10159	43.5
123.08099	18.6
123.11704	4.7
125.06014	2.7
125.09633	3.6
128.06197	10.9
129.07028	17.9
130.07787	5.4
131.08583	32.2
133.06482	2.7
133.07544	1.9
133.10149	39.1
135.08066	9.6
135.11714	12.7
137.09642	10.4
139.11214	2.3
141.07008	8.3
142.07797	22.6
143.08568	40.8
144.09392	7.5
145.10141	42.8
147.08063	16.3
147.11687	14.7
149.09628	9.4
149.13304	4.0
151.07552	17.2
151.11195	2.0
153.07013	4.9
154.07805	3.0
155.08585	16.6
156.09354	17.4
157.10156	51.2
158.10902	8.0
159.08110	5.1
159.11707	28.8
161.09666	4.4
161.13284	8.7
163.11240	7.2
165.07002	5.5
165.09132	37.4
165.12813	1.6
166.07838	3.9
167.08600	11.1
167.10704	11.3
168.09346	8.1
169.08054	1.7
169.10115	26.7
170.10922	9.1
171.11702	31.3
172.12378	2.4
173.09663	6.9
173.13321	19.5
175.11208	4.2
175.14877	9.4
177.09233	2.1
177.12813	2.3
179.08589	13.6
180.09412	5.7
181.10149	16.6
181.12250	5.1
182.10976	7.9
183.11725	23.2
184.12462	3.8
185.09706	1.7
185.13295	17.8
187.14857	5.4
189.12785	7.1
191.14362	6.9
192.09421	3.3
193.10175	14.6
194.10968	8.6
195.11729	19.2
196.12505	5.3
197.13271	17.5
198.13966	2.4
199.14822	13.3
201.12732	2.1
201.16380	3.0
203.14349	15.0
205.10136	3.8
205.15810	1.9
206.10986	6.1
207.11737	16.0
207.13890	7.7
208.12529	5.4
209.13266	21.3
209.15149	2.4
210.14055	2.4
211.14813	9.7
213.12810	2.1
213.16431	5.3
217.10196	4.7
217.15880	5.4
218.10869	2.2
219.11760	7.0
220.12563	6.4
221.13290	15.4
221.15434	58.9
223.14862	14.3
225.12749	2.4
225.16402	5.4
227.14314	3.1
229.15875	3.8
231.11700	4.1
231.13913	2.2
231.17458	5.8
232.12604	4.6
233.13275	10.4
233.15494	4.5
234.14053	3.6
235.14828	12.3
236.15611	2.6
237.12788	2.2
237.16406	5.9
239.17966	5.2
241.19655	2.4
243.11748	2.7
243.17470	2.3
245.13306	7.2
246.14139	5.1
247.14871	10.9
247.17064	2.6
248.15558	3.0
249.12827	2.1
249.16415	10.1
251.17986	3.9
253.15880	2.2
257.19095	5.3
258.14063	2.3
259.14911	4.5
260.15833	2.3
261.16443	7.6
262.17331	2.1
263.14023	1.9
263.17987	7.7
265.19522	6.6
269.13333	2.1
269.19101	3.3
271.14972	2.2
271.20563	2.7
273.16437	3.4
274.17078	1.9
275.18018	6.0
277.19543	4.4
279.21002	3.3
281.13705	1.7
281.19058	3.7
283.20529	11.2
286.19626	2.0
287.20349	3.0
289.19550	3.0
295.20502	4.5
297.22220	3.5
301.19507	2.1
303.21082	1.8
331.24213	4.3
333.21997	2.1
335.23660	3.9
347.23541	2.2
349.25391	5.3
351.23529	2.2
352.24017	2.8
375.27078	6.9
385.28757	2.1
403.30127	8.7
491.35117	5.2
503.35083	3.8
509.34033	1.9
547.38953	3.2
565.40601	24.4
583.41614	100.0
584.41602	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	583.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	3.0
52.08948	2.5
53.03942	8.0
55.05516	18.0
57.07066	10.4
58.79027	2.9
59.04999	7.5
65.03938	5.6
67.05514	39.5
69.03429	6.5
69.07073	20.5
71.05210	4.4
71.05566	3.7
79.05499	45.4
81.07059	46.6
83.04985	9.6
83.08623	12.1
85.06554	9.3
91.05486	49.5
93.07046	62.0
95.04987	10.4
95.08617	46.2
97.06526	6.1
103.05487	5.2
105.07044	80.2
107.04945	4.5
107.08604	49.7
109.06522	9.4
109.10174	29.2
111.08113	3.5
115.05460	7.7
117.07030	18.3
119.08593	89.1
121.06529	8.8
121.10149	43.7
121.10940	3.9
123.08078	14.6
123.11706	8.6
125.05994	3.3
125.09650	5.7
128.06248	13.4
129.07004	20.0
130.07774	8.0
131.08569	37.1
133.06436	4.0
133.10136	47.3
135.08072	14.8
135.11716	16.3
137.09615	11.6
141.06993	12.9
142.07776	22.7
143.08571	47.8
144.09357	9.4
145.10135	57.2
146.45250	2.7
147.08049	25.3
147.11691	25.2
149.09666	8.6
149.13290	4.1
151.07605	16.1
153.07079	5.7
155.08575	20.4
156.09337	17.9
156.77632	2.7
157.10141	54.6
157.11337	4.5
158.10863	5.6
159.08073	5.2
159.11710	33.7
159.38419	2.8
161.09631	7.1
161.13268	10.6
163.11223	10.3
165.07045	7.2
165.09103	31.4
166.07800	3.4
167.08574	13.7
167.10710	9.2
168.09407	6.4
169.10172	32.9
170.10950	10.4
171.11714	32.6
171.69838	3.0
173.09653	3.9
173.13286	28.5
175.11237	6.5
175.14841	11.0
179.08607	12.0
180.09334	3.4
181.10172	17.6
181.12274	6.8
182.10910	6.6
183.11697	27.4
184.12567	4.1
185.09599	4.1
185.13252	18.9
187.14848	13.3
189.12796	7.3
191.14342	8.1
192.09383	6.4
193.10141	19.8
194.10956	10.8
195.11719	21.6
196.12498	4.8
197.13298	23.8
199.11110	3.3
199.14812	18.3
201.16371	4.8
203.14354	14.3
206.10904	6.0
207.11765	20.9
207.13696	5.9
208.12427	5.5
209.13301	28.0
210.13991	3.4
211.11246	4.3
211.14876	14.1
213.12910	5.8
213.16490	7.2
215.14320	5.8
217.15845	7.6
219.11682	7.6
220.12500	4.6
221.13297	16.0
221.15431	69.5
222.13922	4.8
223.14844	19.2
225.12878	3.7
225.16405	9.0
227.14438	4.5
230.11049	3.7
231.11804	6.3
231.17567	3.4
232.12683	4.0
233.13275	7.8
233.15392	4.8
234.14145	4.3
235.14882	13.4
237.16429	3.7
239.18025	8.0
247.14848	10.1
247.17133	5.9
249.16391	9.7
251.18022	6.8
255.17500	5.7
257.19070	4.7
259.14722	4.5
260.15802	4.7
261.16412	10.4
263.17987	5.7
265.19586	6.5
269.19070	3.8
271.14783	5.0
273.16391	5.0
275.17960	12.1
283.20572	13.9
289.19507	6.5
291.20859	3.9
295.20584	5.1
297.22235	3.9
331.24338	6.3
349.25290	8.0
365.25037	4.0
375.26996	5.1
403.29944	7.8
453.75497	2.9
482.98492	3.1
491.34982	5.9
547.39294	3.8
565.40363	25.7
583.41681	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.5
53.03940	3.3
55.01865	2.3
55.05320	1.7
55.05517	19.5
57.03435	2.7
57.07061	7.4
59.04998	2.8
65.03935	3.0
65.71165	1.7
67.05515	24.7
69.03430	5.5
69.07072	17.9
71.08658	2.1
77.03915	2.3
79.05499	26.8
81.03416	2.9
81.07065	40.1
83.04984	6.4
83.08624	11.0
85.06532	6.6
91.04903	2.4
91.05491	42.4
93.06480	3.5
93.07056	50.9
95.04975	11.0
95.08609	34.9
97.06540	4.3
97.10162	4.2
103.05467	3.2
105.07044	55.2
107.08598	41.5
108.08916	1.8
109.06522	8.7
109.10172	23.3
111.08077	4.0
111.11700	2.1
113.73679	1.7
115.05481	5.6
117.07024	16.5
119.08595	66.9
121.06525	3.6
121.10154	47.8
123.08103	13.4
123.11710	6.0
125.09632	3.9
128.06255	8.9
129.07030	15.7
130.07835	4.7
131.08586	32.5
133.06493	2.9
133.07501	1.7
133.10144	39.8
135.08083	5.8
135.11693	12.4
137.09633	10.5
139.11200	2.5
140.53215	1.7
141.06995	4.1
142.07799	16.5
143.08580	33.4
144.09355	6.7
145.10143	46.3
147.08063	7.9
147.11716	19.0
149.09659	7.3
149.13324	2.6
151.07591	10.7
153.07043	3.4
155.08566	14.5
156.09407	12.7
157.10139	37.9
158.10889	4.0
159.08084	3.4
159.11722	21.1
161.09622	5.1
161.13272	7.2
163.11186	5.4
165.07050	2.4
165.09126	13.6
166.07796	2.8
167.08632	8.7
167.10680	24.0
168.09341	6.2
169.10153	19.8
170.10875	5.9
171.11731	23.9
173.09647	2.3
173.13275	21.6
175.11200	4.7
175.14828	8.7
179.08585	8.4
180.09416	4.5
181.10124	9.7
181.12299	6.4
182.10912	8.5
183.11687	22.7
184.12422	3.8
185.09644	2.5
185.13301	16.5
187.11246	2.3
187.14876	7.6
189.12781	4.5
189.16411	2.2
191.14383	4.9
192.09406	3.7
193.10123	11.0
194.10956	7.0
195.11710	17.0
196.12454	4.9
197.13240	18.4
199.14857	12.8
201.12700	2.3
201.16373	4.7
203.08516	2.0
203.14355	8.5
205.10124	1.8
206.10956	5.6
207.11707	13.8
207.13852	4.8
208.12495	4.3
209.13254	17.3
210.14012	3.2
211.14899	10.7
213.12813	3.2
213.16408	6.4
215.14313	3.0
217.10175	1.8
217.15938	5.6
218.10927	3.5
219.11691	6.4
221.13310	12.7
221.15425	20.9
222.14018	3.1
223.14879	11.0
225.16466	5.1
227.17845	2.9
229.15817	2.2
229.26506	2.4
230.10902	2.4
231.11786	3.8
231.17523	4.0
232.12459	3.0
233.13252	8.6
233.15417	7.3
235.14841	10.6
236.15587	2.0
237.16403	6.2
239.17943	4.4
241.19586	3.0
244.12532	1.8
245.13382	4.4
246.14052	3.3
247.14880	6.7
249.16466	5.5
250.17081	2.2
251.18021	4.3
257.19128	5.8
258.14139	2.3
259.14923	2.9
260.15546	2.1
261.16470	5.9
263.17972	5.2
265.19574	5.4
269.19122	2.9
271.14752	2.7
273.16306	2.5
275.18011	8.2
281.18890	3.0
283.20575	10.1
289.19370	2.7
295.20581	2.0
309.22150	2.2
315.20941	3.1
331.24255	5.2
349.25027	4.3
351.27023	2.5
375.26855	2.7
403.30136	5.8
491.34854	3.5
503.35336	3.0
547.39331	2.9
565.40369	19.3
583.41870	100.0
611.57794	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	583.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68395	0.4
55.05510	0.8
57.03411	0.5
63.05093	0.4
67.05502	1.9
69.07055	0.8
70.06562	0.8
71.50578	0.5
72.33539	0.5
79.05482	0.8
81.07059	2.4
83.08624	0.5
83.15961	0.4
85.02892	0.5
91.05492	2.3
93.07051	2.5
95.01297	0.4
95.04990	0.9
95.08601	1.5
99.39726	0.4
105.07043	2.4
107.08607	2.1
109.06527	0.5
109.10163	1.0
117.07047	0.7
119.08575	2.6
121.10147	1.8
131.08563	1.1
133.10121	2.4
135.11757	0.9
136.07570	0.4
142.07774	0.8
143.08675	0.9
144.08157	1.0
145.10132	1.0
147.04433	0.9
147.11714	0.6
157.08955	0.6
157.10176	1.3
158.09676	0.6
159.11769	0.9
161.13335	0.7
169.10164	0.7
171.10460	0.9
171.11754	1.0
173.13257	0.5
175.14772	0.4
184.07314	0.6
184.10011	0.6
185.13239	0.6
186.09146	1.0
187.14798	0.9
197.10829	0.5
199.14867	0.5
200.09390	0.7
203.09322	0.5
204.10164	1.2
204.69304	0.5
213.10272	1.1
213.16373	0.5
216.10216	3.3
217.10988	0.8
220.09796	0.8
221.10866	0.6
223.08803	0.5
223.12378	1.4
227.11861	0.8
230.11748	4.3
232.13376	0.9
233.10823	0.9
235.12357	1.0
236.11852	0.5
237.10207	0.6
242.10565	0.7
245.10579	2.3
246.11278	1.2
249.10417	0.9
250.09784	0.9
250.13400	0.8
251.11790	3.9
252.14992	1.0
255.11453	0.9
258.11325	1.7
260.11621	0.7
263.11664	0.8
264.11340	1.3
265.12192	1.5
276.12357	1.3
278.13031	1.4
280.14435	7.4
283.10919	0.6
286.10721	0.9
290.12955	1.1
291.13715	0.7
292.14578	1.3
296.14020	1.3
300.15628	0.7
301.11923	1.2
304.11813	14.9
304.15210	0.8
306.16119	4.0
306.58710	0.5
314.12915	1.9
315.13712	0.7
316.14493	0.6
319.12952	4.3
320.14279	0.6
326.13007	1.1
327.13794	1.1
328.14594	2.5
329.15366	0.8
330.16031	1.0
340.14545	1.2
341.15308	0.7
342.16110	3.2
343.12918	2.7
343.17026	1.5
344.17633	1.3
356.17648	4.2
358.15482	0.9
358.19376	0.7
366.15912	0.6
372.13293	1.1
373.14233	1.8
374.14957	4.6
374.18719	0.6
386.15204	1.3
387.15689	2.8
389.17206	1.1
392.16931	0.6
393.17242	0.8
401.17032	0.6
402.18185	10.7
403.18686	1.0
406.18304	0.7
407.18646	0.9
408.19598	0.7
417.15060	0.5
418.19467	0.7
421.16028	0.6
421.20908	0.9
433.17010	0.6
435.18274	1.7
436.18991	2.5
446.18707	0.7
447.19315	1.0
450.20514	0.9
460.20224	0.6
463.21603	0.8
481.22495	2.8
495.19989	1.2
506.20877	1.0
509.21924	1.9
510.22501	0.5
519.59784	0.5
521.25824	0.8
523.23199	1.8
524.23737	0.7
539.25671	0.7
553.20599	0.7
555.25977	0.8
565.24530	2.3
566.23016	1.4
568.23102	3.5
583.25555	100.0
584.25574	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	582.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	10.4
55.05519	47.0
57.07085	48.8
60.91400	9.3
67.05511	54.7
69.07083	46.6
69.94832	21.8
69.95240	24.2
71.08621	30.7
73.02912	56.5
78.87357	9.1
79.05502	47.3
81.07060	74.7
83.08626	15.6
84.56909	8.5
85.10175	19.9
89.06052	54.7
91.05483	34.1
91.89190	9.1
93.07055	68.5
95.04942	27.5
95.08612	62.8
97.10162	19.6
98.20776	17.4
105.07050	53.8
107.08628	49.7
109.10137	25.5
117.07037	19.0
119.08585	54.3
121.10133	46.6
123.08077	8.8
128.06186	10.1
129.07033	9.9
131.08583	23.6
133.08618	24.5
133.10132	34.0
135.08046	9.7
135.11681	59.2
142.07768	11.5
143.08577	20.3
145.10135	51.1
147.11734	11.6
154.88931	9.2
155.08554	10.4
157.10130	19.2
159.08058	11.1
159.11703	14.8
163.11229	58.8
167.10718	8.6
169.10147	12.7
171.11682	20.7
173.13457	9.1
176.40086	8.7
179.08533	13.7
183.11668	12.6
193.10178	10.9
195.11821	12.0
196.64781	10.4
197.13226	14.0
209.13179	8.9
211.14960	9.9
211.82695	8.7
227.12775	94.7
283.15460	80.2
308.69681	9.6
313.27368	52.0
339.29013	100.0
352.23950	17.2
373.86478	9.5
438.79980	9.0
444.30765	14.6
521.38281	47.9
547.39618	69.0
582.40863	17.9
582.54291	14.8
583.43256	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44230	1.8
55.05492	8.5
57.03428	2.1
57.07067	3.3
59.04998	3.0
65.03941	3.1
67.05520	11.5
68.23215	2.1
69.03420	5.3
69.07068	15.4
79.05490	18.5
81.07056	28.3
83.08607	3.7
91.05484	36.0
93.06488	3.1
93.07047	48.2
95.04973	48.6
95.08604	18.6
97.06483	2.9
100.97491	2.1
103.05471	4.5
105.04519	2.2
105.07037	65.9
107.08595	28.5
109.06516	7.8
109.10157	13.6
115.05447	7.4
116.06271	2.6
117.07021	21.2
119.04944	4.6
119.08585	72.2
121.06521	5.3
121.10150	53.3
121.57318	2.4
123.08060	14.8
123.11749	3.2
128.06221	11.2
129.07024	23.4
130.07771	8.9
131.08580	37.1
132.09328	5.3
133.06512	13.6
133.10138	26.9
135.08049	11.0
135.11710	7.7
137.09586	3.5
138.10390	2.4
139.11136	2.3
141.06979	9.5
142.07790	13.8
143.08560	54.3
143.09691	2.6
144.09335	6.1
145.06497	4.3
145.10130	73.3
146.07295	7.2
147.08060	9.4
147.11691	12.0
148.08801	2.8
149.09621	14.5
151.11160	4.4
153.06985	6.1
154.07771	2.9
155.08569	23.2
156.09344	20.5
157.10132	47.1
158.10858	7.7
159.08066	17.9
159.11662	20.1
161.09619	10.5
163.11118	2.9
165.07021	8.5
166.07712	3.3
167.08609	10.3
167.10678	73.0
168.09326	8.6
169.10143	35.4
170.10898	8.2
171.08058	4.8
171.11674	28.8
172.08791	3.2
172.12393	2.6
173.09625	10.3
173.13255	16.8
175.11162	4.4
175.14784	3.6
178.07747	3.1
179.08534	13.7
180.09348	7.4
181.10127	24.2
182.10959	16.5
183.08127	3.1
183.11697	30.8
184.12454	5.3
185.09630	8.8
185.13278	15.3
186.10373	6.1
187.11177	10.6
187.14830	3.7
189.12740	12.6
191.14240	11.2
192.09328	4.5
193.10098	13.5
194.10832	10.2
195.08029	2.6
195.11717	25.3
196.08813	3.5
196.12451	5.3
197.09657	11.1
197.13251	20.9
198.14001	5.9
199.11186	20.2
199.14757	4.4
200.11960	5.4
201.12732	8.7
202.13518	2.9
203.14311	3.2
205.10228	3.6
206.10902	3.5
207.11731	12.7
208.12465	6.1
209.13263	23.8
210.13942	6.3
211.11220	10.3
211.14828	16.6
212.11852	3.8
212.15509	2.6
213.12759	8.6
213.16223	2.5
215.14264	6.4
217.10132	2.2
217.12146	3.8
218.10875	2.8
219.11679	6.7
219.13647	3.1
220.12544	3.8
220.14575	13.3
221.13252	15.3
221.15393	5.4
222.14023	2.5
223.11247	11.8
223.14796	14.6
224.15489	3.7
225.12743	9.8
225.16458	4.4
227.14279	3.6
229.15932	2.7
231.11755	5.3
233.13303	4.8
233.15373	38.0
234.13995	2.7
234.16196	4.2
235.11145	3.3
235.14769	10.0
236.11905	3.0
237.12718	5.7
237.16432	4.4
239.14288	4.4
245.13300	4.4
245.15376	2.9
246.13931	3.2
246.16148	7.4
247.14780	9.1
247.17085	4.6
249.12746	3.4
249.16431	6.0
251.14185	5.1
251.17931	2.6
253.15842	6.7
257.13330	3.2
259.14716	5.0
260.17807	2.9
261.16406	9.3
263.14157	3.0
263.17978	4.4
265.15875	11.6
273.16382	2.8
273.18591	27.1
277.15958	3.1
279.17554	2.6
281.15567	2.9
281.18887	3.9
283.17056	2.9
286.19360	6.8
289.15784	2.9
291.21030	3.5
297.18491	7.8
298.19199	11.3
299.20157	22.9
300.20776	2.6
301.19629	3.6
303.17606	3.1
309.22031	5.1
310.19382	4.5
311.20111	7.4
312.20737	5.3
319.20483	4.6
323.20010	6.0
325.21448	2.9
333.22137	3.1
335.20108	14.0
337.21622	24.9
338.22260	4.9
345.22186	3.6
349.21603	4.5
350.22195	4.2
351.23148	14.3
352.23987	100.0
353.24658	8.2
363.22989	12.0
364.23926	4.7
365.24747	11.4
376.23914	6.1
377.24670	2.4
391.26501	2.3
429.27887	7.2
434.27893	4.9
443.29523	6.2
444.30215	44.6
445.30463	2.4
457.24176	2.4
457.30704	2.6
490.34515	15.9
503.35501	3.4
526.34369	2.6
549.37744	3.0
582.40698	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04716	2.0
53.03934	3.1
55.01876	3.5
55.05512	12.1
57.07068	7.0
59.04988	6.7
61.55180	2.5
65.03946	4.0
67.05518	14.5
69.03416	5.3
69.07079	15.8
70.07867	6.1
70.08260	5.1
79.05499	30.9
81.03389	2.2
81.07060	32.8
82.90308	2.6
83.04962	7.7
83.08594	6.2
85.06541	4.0
91.05481	54.4
93.06494	3.2
93.07052	63.9
95.04379	3.5
95.04971	52.4
95.08607	24.5
97.06506	5.2
103.05454	5.0
105.07038	78.2
107.08593	35.2
109.06519	9.8
109.10176	14.0
111.08110	2.7
111.11720	4.8
115.05447	5.6
116.07108	3.9
117.05487	6.2
117.07012	28.9
118.07851	2.5
119.04900	5.6
119.08588	78.2
121.06491	8.4
121.10153	66.0
122.10882	3.1
123.08071	18.1
123.11680	4.6
128.06227	18.0
129.07007	21.9
130.07773	14.4
131.08572	43.3
132.09352	4.4
133.06497	13.9
133.07373	2.4
133.10139	30.8
135.08051	7.8
135.11690	10.6
137.09613	6.9
138.10399	5.3
139.11150	4.5
141.07005	9.9
142.07819	16.5
143.08575	53.1
144.09317	7.0
145.06476	6.7
145.10136	92.7
146.07297	5.3
147.08098	13.1
147.11685	13.7
149.09613	15.0
151.11145	4.3
153.07048	3.1
154.07745	5.8
155.08585	24.3
156.09360	21.0
157.10136	42.9
157.11333	4.0
158.10884	11.0
159.08083	18.8
159.11702	17.5
161.09625	10.4
161.13179	3.8
163.11163	6.4
165.06998	10.9
166.07762	5.8
167.08577	13.7
167.10687	74.6
168.09346	6.5
169.10136	44.5
170.10904	9.2
171.08040	6.0
171.11700	25.4
172.12418	4.7
173.09618	8.9
173.13280	9.6
175.11169	4.5
179.08594	17.6
180.09323	9.0
181.10115	24.8
182.10941	17.7
183.08081	3.3
183.11668	30.4
184.12466	6.4
185.09579	8.2
185.13211	15.7
187.11229	12.8
189.12729	9.9
191.14299	10.2
192.09352	4.5
193.10133	15.0
194.10901	10.8
195.11717	27.1
196.12463	5.2
197.09576	8.3
197.13232	23.0
198.13966	4.8
199.11203	16.5
200.11906	5.5
201.12775	6.1
205.10121	5.8
206.10970	7.1
207.11690	17.0
208.12456	7.2
209.09644	3.7
209.11816	2.3
209.13303	25.7
210.10411	2.5
210.13956	5.0
211.11197	9.4
211.14801	17.2
212.11899	3.6
213.12755	8.2
215.14279	7.9
217.10222	4.5
218.10971	5.0
219.11795	5.0
219.17377	3.1
220.12560	4.1
220.14560	10.7
221.13190	12.3
221.15274	4.9
223.11162	11.5
223.14815	13.5
224.12192	2.6
224.15260	3.4
225.12820	11.9
225.16412	5.6
227.12692	6.2
232.12531	4.8
232.14580	3.1
233.13211	10.0
233.15379	33.0
234.16211	5.7
235.14940	11.7
236.15498	2.6
237.12759	3.7
237.16461	4.3
238.13489	3.1
239.14404	3.1
239.17995	3.1
241.15833	3.0
245.02657	3.0
245.13249	5.2
246.16263	4.5
247.14711	7.3
247.17033	2.6
248.15778	3.1
249.12668	5.1
249.16415	5.6
251.14346	4.1
251.18037	2.8
253.15878	8.2
255.17453	3.7
259.14832	7.0
261.16348	5.4
263.14481	5.8
263.17932	3.3
265.15820	7.9
268.18335	2.6
273.18646	18.4
275.17828	3.1
277.15710	6.2
285.18710	3.6
286.19208	5.9
287.20242	4.7
291.17752	3.6
291.20999	3.8
297.18536	4.9
298.19220	10.2
299.20123	23.6
300.20752	4.5
303.20929	4.0
309.22049	5.1
310.19293	5.7
311.20132	5.3
312.20880	4.0
319.20633	5.7
323.20023	3.8
335.20081	17.2
337.21661	22.9
338.22501	3.9
339.28870	9.4
349.21704	8.3
350.22571	5.6
351.23483	11.6
352.23978	100.0
353.24500	4.9
361.21570	3.2
363.23157	14.4
364.23999	3.1
365.24747	10.5
376.23895	6.0
389.24786	5.4
395.98221	2.5
429.27805	3.7
434.27957	4.5
444.30307	43.9
490.34238	14.4
533.40234	2.9
547.40033	7.4
582.40839	51.5
582.54645	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	582.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.3
55.01863	2.4
55.05518	7.8
57.07069	6.5
58.33630	1.6
59.04988	2.6
59.11716	1.3
65.03941	3.1
67.05505	18.3
69.03432	6.1
69.07078	10.0
69.22041	14.3
71.04978	2.1
72.84001	1.3
74.06065	1.3
77.03947	1.5
77.91341	1.4
79.05491	23.9
81.07069	28.7
83.04968	3.3
83.08614	6.0
85.06566	3.7
87.04472	2.7
88.53826	1.3
91.05482	37.6
91.06025	2.7
93.07048	38.1
95.04976	51.6
95.08609	16.1
97.06533	2.8
103.05446	2.6
105.07037	64.9
107.04978	3.2
107.08603	43.1
109.06531	10.0
109.10145	11.5
115.05440	7.2
116.06247	1.6
117.07016	25.1
119.04932	4.0
119.05994	1.2
119.08582	61.2
120.09389	4.2
121.06475	9.4
121.10149	34.5
122.07316	4.6
123.08079	15.7
123.11705	8.1
123.72660	1.3
128.06223	15.4
129.07005	20.5
130.07825	7.6
131.08580	41.1
132.09346	4.6
133.06512	4.3
133.10124	32.7
134.07297	2.5
135.08057	18.0
135.11673	7.9
137.09613	5.3
138.10365	2.7
139.11061	1.5
141.06972	11.9
142.07796	19.7
143.08566	58.2
144.09354	10.1
145.06503	3.2
145.10135	60.0
146.07298	3.6
146.10800	2.1
147.08069	10.8
147.11705	14.3
148.08878	2.5
149.09593	8.9
149.13271	1.6
151.11177	4.4
153.07043	5.4
154.07796	5.2
155.08546	23.2
156.09338	19.4
157.10130	50.6
158.10941	10.3
159.08070	12.1
159.11705	22.9
160.08836	2.9
160.12350	1.7
161.09619	20.4
161.13274	3.3
163.11208	1.7
165.07013	10.9
166.07788	3.7
167.08572	11.6
167.10741	9.3
168.09340	8.1
169.10107	29.3
170.10924	9.6
171.08096	6.0
171.11700	33.6
172.08846	2.5
172.12480	2.4
173.09627	16.5
173.13249	15.2
175.11185	8.0
175.14798	2.4
177.09111	3.6
178.07782	3.1
179.08540	12.7
180.09329	9.3
181.10129	24.3
182.10884	10.4
183.08128	2.7
183.11716	35.7
183.78606	1.4
184.12509	4.3
185.09679	11.8
185.13272	14.6
186.10510	2.4
187.11172	13.0
187.14835	6.3
188.12006	6.6
189.09116	5.8
189.12727	10.2
189.16293	1.6
191.06807	1.6
191.08553	3.0
191.14290	8.8
192.09343	7.6
193.10133	18.8
194.10928	10.8
195.08026	2.2
195.11710	31.4
196.12538	7.2
197.09656	7.4
197.13272	22.7
198.10406	2.0
198.14005	5.3
199.11194	16.5
199.14801	11.2
200.12045	3.9
200.15434	1.8
201.12793	6.0
201.16411	2.8
203.14362	5.4
203.73709	1.5
204.15129	2.5
205.10077	6.6
206.10927	8.7
207.11707	20.6
208.12434	7.7
209.09715	2.8
209.13263	22.7
210.10370	3.4
210.14082	5.8
211.11183	11.6
211.14766	12.2
212.12006	4.7
213.12753	13.2
213.16443	4.7
215.08630	1.8
215.10622	1.5
215.14452	6.8
217.10165	5.2
217.12236	1.8
217.15858	4.3
218.10947	4.2
219.11691	10.0
220.12462	7.1
221.09726	1.7
221.13292	13.9
222.14063	5.8
223.11212	7.8
223.14761	16.6
224.11951	4.0
224.15631	2.9
225.12791	10.9
225.16441	4.3
226.13374	2.6
227.14287	14.6
227.17909	1.6
229.15868	2.8
230.10945	3.1
231.11710	7.0
231.13705	2.9
232.12498	5.5
233.13243	9.8
233.15343	2.7
234.14006	2.8
235.11211	2.5
235.14838	10.1
237.12787	5.8
237.16451	5.7
238.13589	1.9
238.17346	2.7
239.14333	6.2
239.18031	5.1
240.15042	2.7
241.15929	3.5
243.11705	2.0
244.12575	3.7
245.13275	7.0
245.15388	2.6
246.14055	2.9
247.14851	12.5
247.17111	2.4
248.15611	3.0
249.12814	4.4
249.16389	6.8
251.14386	7.5
251.17445	1.8
253.15918	9.0
255.17496	6.6
256.12543	1.6
256.18317	1.7
257.13303	4.7
258.14053	4.1
259.14816	5.4
260.15515	1.8
261.16412	8.4
263.14456	3.7
263.18018	4.4
265.15945	5.3
267.17526	3.3
269.18964	3.3
271.14523	2.0
271.16974	6.4
273.16345	3.4
273.18536	75.1
275.14426	3.6
275.17862	3.1
277.15961	4.3
277.19534	4.0
279.17471	3.4
281.18991	3.7
283.14658	1.7
285.16251	3.0
286.19476	7.7
287.20297	2.1
289.15927	8.6
289.19342	3.2
291.17542	4.8
291.21091	5.2
293.19040	4.0
299.20126	29.4
299.23334	2.8
300.20963	2.9
301.19580	1.7
303.17712	2.9
305.18918	2.0
307.17133	1.9
307.20688	3.8
309.22104	3.2
311.20212	4.1
315.21082	3.6
319.20682	7.7
321.22235	2.0
325.21591	4.7
334.23041	3.3
335.20184	1.9
337.21625	28.6
345.22159	3.5
349.21692	2.0
350.22372	2.9
351.23270	6.2
352.23978	100.0
353.24957	8.0
355.20526	1.9
357.22141	2.0
361.21539	1.9
363.23257	9.8
365.24866	11.9
373.25671	1.8
375.23129	2.2
376.23996	5.9
391.26187	1.7
399.26779	1.8
401.28448	3.5
406.28760	2.3
411.26776	2.6
416.26932	1.8
419.25925	1.9
429.27927	6.4
434.28250	6.1
443.29547	3.5
444.30246	44.5
445.30966	6.3
490.34564	15.1
526.34753	2.2
549.37415	2.6
564.39069	2.7
582.40704	63.5
583.41260	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	582.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.9
53.03942	4.3
55.05527	8.4
57.07074	6.6
59.05014	2.9
63.38804	1.6
65.03941	2.0
67.05502	12.6
68.05847	1.9
69.03422	6.0
69.07077	15.4
69.25918	1.5
71.05003	2.3
79.05493	24.2
81.07059	28.4
83.04993	4.5
83.08613	3.7
85.06553	3.2
91.05483	37.3
93.07056	48.0
95.04976	50.0
95.08610	19.4
97.06533	3.3
103.05466	4.4
105.07039	70.8
107.04967	1.9
107.08604	30.9
109.06541	7.5
109.10166	14.8
115.05475	6.1
116.06246	4.6
116.07104	2.2
117.07010	20.9
118.07804	2.1
119.04958	6.0
119.08589	67.3
121.06515	7.3
121.10154	57.3
122.10969	2.3
123.08057	16.8
123.11685	2.0
128.06238	14.8
129.07025	17.8
130.07814	7.5
131.08571	35.6
132.09363	7.0
133.06528	12.6
133.10135	30.7
135.08075	11.3
135.11703	4.7
137.09639	6.1
138.10434	4.2
139.11205	3.9
141.07034	9.2
142.07799	16.3
142.64880	1.6
143.08569	45.4
144.09366	7.8
145.06541	3.2
145.10136	80.7
146.07297	7.2
146.10915	2.5
147.08061	9.8
147.11707	13.8
148.08835	2.6
149.09657	16.2
149.13290	3.6
151.07489	2.3
151.11208	3.2
152.06250	1.8
153.06996	4.9
154.07819	4.4
155.06058	1.8
155.08575	17.8
156.09352	16.4
157.10141	44.2
158.07408	1.8
158.10941	11.4
159.08076	15.2
159.11740	17.0
161.09618	8.5
161.13275	4.4
163.11290	2.0
165.07027	7.6
166.07858	3.0
167.08611	12.7
167.10690	67.9
168.09392	7.7
169.10132	38.3
170.10895	9.3
171.08150	5.0
171.11691	23.6
172.08849	3.8
172.12488	4.0
173.09650	9.4
173.13295	10.8
174.10391	3.2
175.11246	4.5
175.14841	2.1
178.07785	2.4
179.08585	12.2
180.09404	6.0
181.10127	21.1
182.10950	16.2
183.08151	3.3
183.11711	25.5
184.08780	2.2
184.12495	4.8
185.09572	8.6
185.13268	13.7
186.10434	4.2
187.11188	8.2
187.14893	3.4
189.12848	9.1
191.10677	2.2
191.14323	11.8
192.09389	5.2
193.10114	14.8
194.10886	8.7
195.11678	23.5
196.12518	6.5
197.09628	10.6
197.13272	22.5
198.10518	3.2
198.14095	5.9
199.11180	17.7
199.14885	3.4
200.11987	5.7
201.12808	5.2
205.10133	4.6
206.10960	5.8
207.11719	16.7
208.12512	6.3
209.09756	3.1
209.13277	23.3
210.10527	2.4
210.14063	4.6
211.11259	5.9
211.14795	16.4
212.11952	3.9
212.40405	1.7
213.12773	6.9
213.16376	2.4
215.14334	6.6
217.10243	3.9
217.12222	1.8
219.11769	7.4
220.12502	4.8
220.14632	13.9
221.13278	11.9
221.15417	6.2
222.14026	3.6
223.11272	12.8
223.14822	16.8
224.15634	2.7
225.12779	7.2
225.16452	3.3
227.14366	2.6
227.17967	1.7
229.15941	1.9
229.47722	2.1
230.10907	2.3
231.11774	3.4
232.12515	4.0
232.14626	2.6
233.13249	9.1
233.15439	35.9
234.14043	3.2
234.16173	5.7
235.14769	8.6
237.12767	4.8
237.16440	5.3
239.14294	2.2
239.18062	3.0
241.15894	2.5
244.12386	2.1
245.13293	4.2
246.16185	6.0
247.14888	10.2
247.17052	4.0
248.15668	2.3
249.12898	3.7
249.16429	4.5
251.14371	4.9
251.18060	3.3
253.16016	4.5
254.16675	2.0
255.17390	3.2
259.14896	4.4
260.15396	2.4
260.17844	3.0
261.13297	1.7
261.16431	6.9
263.14398	4.6
263.18106	3.0
265.15894	8.5
267.17651	2.4
269.13220	2.2
271.14758	3.2
273.18640	18.2
275.17896	2.7
277.16003	5.2
277.19388	2.1
279.17349	2.8
281.15573	2.4
281.19064	1.9
283.17090	2.5
286.19366	5.9
287.20090	4.5
288.18585	1.8
289.16037	2.0
289.19611	3.0
291.21036	2.4
293.18985	3.4
297.18570	4.9
298.19391	7.1
299.20111	22.1
300.20844	2.5
303.17636	2.5
303.20990	2.9
309.22141	3.6
310.19315	6.0
311.20135	9.4
312.21060	2.6
319.20724	2.2
323.20032	4.8
324.20822	2.1
325.21671	3.7
333.22128	3.7
335.20038	16.6
337.21576	20.5
338.22318	5.7
339.23181	1.8
345.22156	3.1
347.24014	2.2
349.21695	4.9
350.22308	3.6
351.23251	13.0
352.23996	100.0
353.24741	5.8
361.21518	3.6
363.23227	17.6
364.23932	5.0
365.24808	13.0
376.24152	3.7
377.24530	1.9
389.24951	3.7
416.27173	3.5
429.28137	6.0
434.28165	4.1
443.29538	4.8
444.30228	46.2
445.30362	2.2
472.33609	2.0
489.36084	1.8
490.34296	8.1
503.35764	3.7
564.39465	5.2
582.05902	2.0
582.40747	65.8
583.41730	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	581.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.1
53.03951	6.2
53.07885	0.6
55.01880	3.7
55.05515	16.0
57.03159	0.7
57.03437	11.0
57.07050	1.3
57.29543	0.6
65.03944	3.5
65.04224	0.8
67.05508	42.5
69.03435	4.4
69.07075	11.5
71.04971	1.4
77.03912	1.3
79.05497	61.6
81.03405	3.0
81.07060	40.3
83.04986	3.5
83.08223	0.6
83.08625	6.4
85.06551	4.7
91.05486	54.9
92.61098	0.6
93.07049	61.1
95.01328	1.4
95.04472	0.7
95.04977	8.9
95.08611	27.3
97.06522	5.3
97.10147	2.2
98.20777	1.3
99.04450	3.0
99.08073	2.3
103.05460	2.0
105.04520	2.8
105.07037	42.3
107.04963	6.9
107.08599	19.7
109.06516	6.1
109.09451	1.0
109.10157	10.0
111.08057	1.9
113.09673	1.3
115.05416	1.8
117.06260	0.7
117.07035	13.6
119.08586	29.6
121.04630	0.5
121.06496	2.4
121.10152	23.2
123.08067	3.5
123.11716	1.9
125.09612	2.5
128.06244	0.7
129.07018	3.8
130.07809	0.6
131.08575	24.6
133.06422	0.8
133.10132	21.7
135.08015	3.3
135.11694	8.3
137.09647	3.6
137.89490	0.6
139.11150	1.0
141.06984	1.0
143.08585	3.5
144.09309	0.9
145.09061	1.1
145.10129	15.1
147.08098	0.8
147.10648	1.0
147.11693	10.4
149.09647	3.2
149.13223	1.9
151.11217	1.3
153.12776	1.5
155.08492	1.7
157.10092	3.0
159.11687	9.1
161.09602	0.8
161.13228	3.5
163.11148	2.6
165.09081	0.7
168.30563	0.6
169.10129	1.7
171.11667	1.7
173.13245	4.2
173.14479	0.6
175.11113	1.2
175.14836	1.7
177.12750	1.0
179.14279	3.8
183.11667	1.5
185.13260	4.2
187.11185	0.9
187.14792	0.8
197.13275	1.2
199.14717	1.0
201.16409	5.2
203.14267	3.3
209.13391	0.7
209.15335	1.4
215.17981	1.3
219.17451	100.0
220.17793	1.3
224.55717	0.7
229.19597	0.8
233.15443	0.8
239.17969	1.5
247.17027	1.1
257.19070	4.8
275.20065	32.3
293.21130	2.5
349.23853	1.6
515.37781	0.8
581.42004	38.1
582.42438	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.2
53.03955	5.5
55.01883	9.2
55.05519	12.2
55.43577	0.7
57.03442	16.7
57.07049	1.4
59.04978	1.4
60.56564	0.7
65.03918	3.3
67.05508	36.2
69.03406	2.8
69.06738	1.0
69.07071	10.6
69.34195	6.4
70.95216	0.7
71.04997	1.5
77.03936	1.8
79.05499	57.7
81.03392	1.8
81.07064	33.5
83.04958	3.0
83.08622	7.4
85.06068	0.8
85.06540	3.6
85.43004	0.7
91.05489	49.3
93.07051	43.4
95.04980	7.9
95.08613	24.6
96.89962	0.7
97.06521	3.3
97.10148	2.3
98.21522	1.6
99.04427	1.2
99.08069	1.3
103.05426	1.4
105.04478	2.6
105.07040	27.3
107.04973	6.1
107.07888	1.4
107.08604	26.4
109.06527	12.1
109.10164	8.0
111.08105	3.6
113.01929	0.8
113.09621	1.1
115.05454	3.4
115.25602	0.8
116.06207	0.9
117.07027	18.8
119.06042	0.8
119.08587	17.0
121.06492	1.8
121.10156	13.4
123.08056	2.9
123.11678	1.3
125.09616	3.3
127.68913	0.7
128.06216	1.4
129.07014	7.6
131.08578	27.8
133.10141	11.4
135.08064	49.3
135.11687	6.5
137.09602	2.5
141.06929	1.7
142.07774	2.0
143.08556	2.8
144.09407	1.0
145.10136	14.6
147.08098	0.8
147.11707	8.6
149.09631	12.8
149.13277	1.7
153.12817	0.9
155.08566	2.0
157.10114	7.5
159.11696	4.3
160.35844	0.7
161.09608	0.9
161.13223	2.1
163.11186	2.1
163.14838	1.7
169.10127	2.0
171.11723	3.3
173.09575	0.8
173.13280	23.8
175.11192	13.1
175.14752	0.8
183.11678	2.5
185.13284	1.7
187.11185	1.7
187.14819	1.3
191.14322	100.0
201.16437	1.9
211.14839	3.0
219.17419	1.0
229.15904	7.7
247.16949	11.2
261.22122	1.1
265.17920	1.7
267.20587	0.9
275.20126	5.1
317.24628	1.2
321.20807	1.6
335.25858	2.4
563.39539	1.0
581.41962	41.0
582.42206	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	8.4
55.01877	6.4
55.05518	25.9
57.03433	3.4
57.07066	3.6
59.05011	2.2
61.03642	1.2
65.03953	5.1
67.05512	61.0
69.03427	2.3
69.07076	25.2
69.20831	2.1
69.21158	13.1
71.04990	3.8
77.03874	1.5
79.05500	83.6
81.03423	6.2
81.07063	61.3
83.04998	6.4
83.08617	13.1
85.06554	2.4
91.05488	55.4
93.07052	73.7
95.01334	1.7
95.04969	10.3
95.08617	36.9
97.06530	10.7
97.10179	6.2
98.21571	2.8
99.08112	3.4
99.95997	1.4
103.05531	1.7
105.04546	3.0
105.07041	50.5
106.77468	1.4
107.04942	8.9
107.08605	34.1
107.09313	2.3
107.71932	1.3
109.06543	6.4
109.10172	19.7
111.08101	2.8
113.09649	2.2
115.05457	2.2
117.07028	20.2
119.05028	1.4
119.08595	34.5
121.06551	1.7
121.10150	40.2
123.08064	4.0
123.11754	5.6
125.09640	4.3
125.99624	1.5
128.06184	3.3
129.07031	12.1
130.07837	3.5
131.08589	27.5
133.06563	1.3
133.10141	30.6
133.11092	1.8
133.81146	1.3
135.08093	3.5
135.11682	13.0
137.09608	2.5
137.13251	1.4
139.11165	2.6
141.07033	6.3
142.07874	3.6
143.08578	13.1
145.06525	1.2
145.10136	35.5
145.11304	1.8
147.11700	17.9
147.32201	1.4
149.09621	12.5
149.13284	5.5
151.11223	1.8
153.07069	2.0
155.08563	7.2
156.09370	1.4
157.10141	12.2
159.08179	1.7
159.11702	19.1
161.09628	3.2
161.13304	6.8
163.11208	10.7
167.08598	2.2
167.10713	1.8
169.10110	9.3
171.11694	12.1
173.13301	10.4
175.11198	3.1
175.14842	2.6
177.12810	2.2
179.10829	1.4
179.14343	5.0
181.10175	5.8
181.12247	1.8
182.10966	1.8
183.11702	11.3
185.13332	6.7
187.11343	1.9
187.14941	3.4
189.11264	1.4
189.12885	1.7
189.16417	1.5
193.10085	1.3
195.11775	2.6
197.13297	8.1
199.14911	3.9
201.12749	1.9
201.16447	3.3
203.14421	1.8
207.11784	1.7
209.13341	4.9
211.14911	4.9
213.16475	4.2
215.14291	1.2
215.17885	6.5
219.17467	2.7
221.13313	2.3
221.15343	1.7
223.14941	2.3
225.16458	3.0
227.18135	1.7
229.15887	2.4
229.19630	3.9
231.17468	2.1
233.15639	1.4
233.19182	1.9
235.15030	1.4
237.16428	2.7
239.17998	7.3
243.17612	1.4
247.20622	2.7
251.17973	3.1
253.19705	1.4
255.17259	1.4
257.19019	15.5
263.17972	1.4
273.18845	1.6
275.20111	54.9
293.21365	2.9
307.22763	8.7
313.21722	1.6
331.22861	4.7
349.23923	1.6
489.37363	3.9
491.37427	2.4
507.38437	2.4
563.40753	4.4
581.41949	100.0
582.42389	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	581.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.2
55.01877	3.3
55.05263	2.3
55.05518	19.6
57.03428	3.5
57.07068	5.9
59.05024	2.9
61.90378	1.5
62.15983	1.8
65.03943	2.5
67.05509	28.2
68.28438	1.9
69.03445	11.9
69.03754	2.5
69.07078	16.8
69.29630	13.4
71.04998	2.1
77.03944	2.0
79.00790	1.5
79.05502	29.3
81.03426	4.9
81.07062	32.4
83.04985	6.3
83.08635	9.6
85.02926	2.6
85.06533	6.9
90.48132	1.6
91.05486	36.6
91.76900	1.6
93.07053	54.5
95.04993	13.3
95.08614	34.9
97.02873	2.2
97.06554	8.9
98.47656	2.0
98.98468	3.7
100.46969	1.7
103.05480	3.1
105.04549	2.0
105.07042	55.3
107.08607	34.2
109.02888	1.9
109.06520	7.6
109.10160	20.3
111.08122	2.9
113.09649	5.0
115.05480	5.6
116.06203	2.5
117.07037	16.6
119.04948	1.7
119.08588	52.1
121.06513	6.4
121.10150	55.2
123.08092	21.2
123.11734	7.2
125.05981	2.7
125.09660	4.5
128.06221	7.8
129.07008	15.7
130.07776	4.3
131.08572	31.6
133.06500	4.7
133.10146	50.6
135.06200	1.6
135.08035	11.3
135.11711	16.1
137.09663	8.8
139.11197	2.8
141.07001	5.7
141.09137	13.0
142.07782	14.2
143.08568	23.4
144.09361	2.7
145.06465	2.7
145.10138	41.4
147.08072	13.1
147.11693	15.7
149.09630	18.5
149.13272	4.7
151.07555	14.2
153.07047	3.6
153.09129	2.2
154.07738	3.7
155.01039	3.6
155.08586	14.2
156.09378	8.5
157.10143	36.4
158.10938	5.2
159.08067	8.1
159.10381	3.6
159.11679	21.0
161.09665	6.3
161.13300	6.8
163.11192	6.1
165.07016	5.1
165.09114	16.4
167.08641	8.2
167.10686	33.3
168.09360	5.0
169.10120	18.5
170.10921	6.9
171.11693	21.2
173.09688	8.6
173.13275	19.8
175.11266	4.7
175.14865	7.5
179.08589	7.0
179.10667	1.9
180.09381	3.3
181.10136	13.7
181.12294	6.9
182.10954	7.6
183.11723	16.9
184.12418	1.8
185.09576	2.2
185.13260	14.3
187.11209	3.1
187.14856	10.8
189.12817	6.3
191.14320	4.5
192.09364	4.3
193.10141	9.1
194.10927	6.0
195.11755	15.6
196.12560	4.8
197.09688	2.5
197.13287	14.2
199.11206	4.6
199.13243	1.8
199.14801	11.0
201.12773	3.0
203.14299	9.3
204.58228	1.9
205.10179	4.3
206.10951	5.8
207.11711	11.0
207.13835	8.8
208.12492	5.2
209.09732	1.9
209.13289	17.8
209.15164	3.5
210.13962	2.0
211.11223	5.4
211.14841	11.4
213.12863	2.0
213.16351	2.7
215.14323	4.0
217.10201	3.5
218.10973	2.0
219.11644	4.4
220.12469	4.4
221.13255	11.2
221.15417	40.2
222.14021	2.4
223.11308	3.0
223.14868	8.7
225.12758	4.7
225.16489	3.7
227.14371	3.0
229.15956	3.2
230.10953	2.8
231.11896	3.7
232.12549	2.7
233.13232	8.7
233.15443	17.4
235.14900	7.2
236.15614	2.4
237.12865	1.9
237.16434	5.2
239.14333	2.8
239.17952	3.6
243.11810	2.3
245.13269	2.6
246.14096	3.4
247.14854	5.8
247.17117	3.0
248.15747	2.5
249.16534	3.7
251.14401	2.9
251.18089	3.9
253.15948	2.6
253.19508	2.7
257.18973	5.5
258.14230	2.4
259.14859	2.0
261.16452	3.8
263.17990	3.3
265.19748	2.9
265.25183	2.0
271.14789	3.3
272.15536	2.7
273.16437	4.5
275.17700	2.4
275.20270	3.7
277.19604	4.2
279.17331	2.7
281.19171	2.9
285.16162	3.0
289.19333	2.5
291.17413	1.9
299.20410	4.0
305.18805	2.1
310.17172	1.8
311.20129	2.9
312.20905	6.6
339.29034	3.9
347.23792	2.3
355.24380	2.3
359.23709	2.4
373.25226	4.4
375.23260	2.0
399.26703	2.2
413.28610	3.2
421.20758	1.8
548.93506	2.1
553.40594	3.8
563.39008	16.0
581.27765	4.4
581.40094	100.0
582.40314	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43450	2.6
52.30772	2.3
53.03949	6.9
55.05508	9.8
57.07085	7.1
59.04997	8.4
67.05511	21.3
69.03428	8.2
69.07073	15.9
69.14875	7.7
69.15290	24.3
79.05498	25.2
81.07066	26.8
83.04981	6.5
83.08653	5.5
85.02913	6.0
85.06544	4.3
91.05489	31.3
93.07058	42.3
95.04983	12.1
95.08612	24.5
97.06550	6.1
97.10244	3.0
103.05465	3.4
105.07039	52.6
105.07700	4.9
107.08604	35.1
109.06504	7.9
109.10159	19.0
115.05495	5.5
117.07028	12.8
119.07785	5.0
119.08587	41.2
121.06540	6.2
121.09341	4.0
121.10162	55.3
123.08102	14.5
123.11726	10.4
125.06055	5.6
128.06248	8.7
129.06998	13.4
131.08592	23.9
133.10133	58.7
135.08066	12.5
135.11731	18.4
137.09702	5.9
141.07016	4.2
142.07797	11.6
143.07480	4.8
143.08536	29.6
144.09383	3.4
145.10118	27.9
145.11060	3.6
147.08069	9.2
147.11720	9.7
148.73918	3.2
149.09634	15.8
151.07558	9.9
153.06998	4.0
155.08604	12.2
156.09363	11.9
157.10150	31.7
158.10970	5.6
159.08075	7.3
159.11734	18.9
161.09700	7.8
161.13268	6.2
163.11240	5.3
165.07011	8.5
165.09142	11.1
166.07777	4.4
167.08598	6.5
167.10677	41.4
168.09412	5.4
169.10204	16.3
170.10941	3.9
171.08080	3.3
171.11734	19.9
172.12411	3.2
173.09625	6.9
173.13271	18.4
175.11212	5.5
175.14903	8.7
179.08560	9.0
180.09369	4.6
181.10161	11.8
181.12263	8.6
182.10898	5.6
183.11699	18.5
185.09645	6.6
185.13268	12.3
187.11166	4.6
187.14848	10.5
189.12749	7.6
191.14445	3.7
192.09235	5.6
193.10164	10.3
194.10928	8.2
195.10182	3.4
195.11729	17.4
196.12624	6.9
197.13286	15.1
199.11234	3.5
199.14886	8.0
201.16354	3.9
203.14352	5.7
205.10173	3.3
206.11034	6.4
207.11693	11.2
207.13722	6.5
208.12440	7.6
209.13290	13.5
209.15324	4.3
211.11163	4.5
211.14828	15.0
213.12793	6.7
213.16444	6.9
215.14301	5.3
217.10054	3.7
218.11002	3.4
219.11772	6.8
220.12456	4.7
221.13286	12.1
221.15427	24.4
223.14841	9.8
225.12808	5.5
225.16307	3.3
229.10330	3.3
230.10789	3.7
231.11684	4.0
232.12598	3.2
233.13231	8.6
233.15434	21.9
235.14861	9.0
237.12750	3.9
237.16418	3.8
239.14455	5.0
244.12552	3.8
245.13271	5.4
246.31712	3.2
247.14809	9.2
247.17093	3.8
249.16411	6.4
251.14410	3.9
251.17940	4.6
258.14017	4.6
259.14886	4.1
261.16409	5.9
263.17990	7.1
265.19531	4.4
271.14752	3.3
273.18713	4.2
275.17902	5.9
281.18832	5.9
291.17514	4.9
293.18915	3.8
315.20963	4.8
355.24423	3.4
359.23737	5.5
363.23022	3.0
373.25159	4.1
393.23880	5.3
407.29541	8.8
413.28687	3.6
425.28036	3.9
523.35547	3.9
540.49353	3.2
563.38959	20.7
581.39844	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.4
55.01889	2.8
55.05520	13.6
57.03438	2.9
61.02928	4.7
67.05521	27.3
69.03429	12.3
69.07069	10.2
70.06600	27.8
70.83061	2.4
71.04984	2.7
71.50313	3.4
72.08165	10.6
73.02930	4.1
74.06165	3.1
79.05492	19.6
81.03418	5.0
81.07068	55.8
83.08606	3.9
84.04515	5.1
84.08141	12.0
85.02916	44.4
86.09710	10.7
91.05482	18.2
93.07054	39.0
95.04988	2.6
95.06125	4.0
95.08620	69.2
97.02893	16.9
97.06549	3.1
97.10184	3.2
100.11298	3.5
105.07044	64.6
107.08607	60.7
109.02910	3.8
109.09489	3.0
109.10172	43.1
110.07182	3.7
112.08751	3.1
112.16591	2.8
116.07117	4.0
119.08594	41.9
119.09382	4.1
120.08181	4.1
121.10150	25.8
123.11723	12.1
127.03938	7.7
129.10243	5.8
133.10133	25.7
135.11703	13.1
145.04987	11.7
145.10158	5.1
147.04504	3.1
147.11716	48.4
149.13301	5.0
151.11215	4.7
159.11787	4.6
161.13350	17.0
163.03914	3.8
163.06049	4.0
163.14857	13.4
165.12900	3.3
175.14828	7.9
184.07315	3.7
191.17926	2.5
199.04668	2.4
203.17970	100.0
214.86441	2.6
216.74142	2.8
221.18990	6.0
433.62775	3.1
580.33942	3.1
589.73425	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	580.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.4
55.01889	2.8
55.05520	13.6
57.03438	2.9
61.02928	4.7
67.05521	27.3
69.03429	12.3
69.07069	10.2
70.06600	27.8
70.83061	2.4
71.04984	2.7
71.50313	3.4
72.08165	10.6
73.02930	4.1
74.06165	3.1
79.05492	19.6
81.03418	5.0
81.07068	55.8
83.08606	3.9
84.04515	5.1
84.08141	12.0
85.02916	44.4
86.09710	10.7
91.05482	18.2
93.07054	39.0
95.04988	2.6
95.06125	4.0
95.08620	69.2
97.02893	16.9
97.06549	3.1
97.10184	3.2
100.11298	3.5
105.07044	64.6
107.08607	60.7
109.02910	3.8
109.09489	3.0
109.10172	43.1
110.07182	3.7
112.08751	3.1
112.16591	2.8
116.07117	4.0
119.08594	41.9
119.09382	4.1
120.08181	4.1
121.10150	25.8
123.11723	12.1
127.03938	7.7
129.10243	5.8
133.10133	25.7
135.11703	13.1
145.04987	11.7
145.10158	5.1
147.04504	3.1
147.11716	48.4
149.13301	5.0
151.11215	4.7
159.11787	4.6
161.13350	17.0
163.03914	3.8
163.06049	4.0
163.14857	13.4
165.12900	3.3
175.14828	7.9
184.07315	3.7
191.17926	2.5
199.04668	2.4
203.17970	100.0
214.86441	2.6
216.74142	2.8
221.18990	6.0
433.62775	3.1
580.33942	3.1
589.73425	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	580.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.4
55.05508	10.0
56.05029	2.4
57.03442	2.9
57.07074	1.9
58.53017	1.5
59.04992	3.5
66.67007	1.4
66.97411	1.4
67.05505	4.6
68.05041	1.4
69.03457	1.7
69.07085	10.2
70.06593	5.3
71.08648	7.6
71.50739	2.0
72.08154	4.6
74.52585	1.6
79.05502	6.2
81.03465	1.5
81.07066	10.3
82.06579	2.4
82.91274	1.5
83.04971	1.8
83.07358	7.7
83.08628	8.0
84.08150	2.5
85.02901	1.6
86.06071	7.0
88.08586	1.4
91.05478	3.3
93.07049	7.3
95.08613	5.2
95.39360	1.6
96.08125	5.2
97.06554	2.1
98.09702	100.0
99.08091	4.5
107.08579	5.9
109.10132	2.5
116.10744	48.8
116.54259	1.4
117.09134	2.8
119.08632	1.9
121.10178	3.5
122.09706	3.2
124.07632	2.2
125.00038	3.3
142.12263	3.0
147.04475	1.9
149.13271	4.9
155.46834	1.7
159.11739	2.3
164.87727	1.7
167.14369	1.8
173.11740	16.6
184.07413	2.6
196.07364	19.2
196.16988	15.2
200.34164	1.4
208.81686	1.7
214.18114	8.1
215.50508	1.6
231.15869	2.2
238.18069	2.9
252.10007	6.8
257.17471	1.8
264.22968	1.8
269.17520	3.0
270.11008	15.0
287.18713	4.5
292.22675	9.0
310.23788	26.2
328.24844	15.2
350.17245	4.1
368.18399	31.9
390.20374	1.8
390.30017	2.7
408.21585	4.7
408.31137	19.8
446.22867	3.0
464.24130	16.6
482.18362	3.1
482.25220	51.1
483.25812	1.5
504.06601	1.7
522.85785	2.1
562.31744	1.7
580.33606	1.6
594.67029	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3895
Annotation	Fungicide K 99-5278C
Peak:m/z	Relative Intensity
53.03955	6.0
55.01867	9.9
55.05511	33.9
57.03440	12.1
57.07076	3.8
59.04993	7.0
61.08254	2.2
65.03951	5.5
67.05510	100.0
67.14024	2.3
69.03429	3.7
69.07073	28.2
70.72327	7.2
71.04989	7.4
71.08633	2.5
71.79527	2.6
79.05497	65.1
81.03416	11.7
81.07063	86.7
83.04977	13.5
83.08627	18.0
85.02884	3.1
85.06560	5.9
91.05481	44.1
93.07050	65.5
95.04970	16.8
95.08611	48.4
97.06543	13.3
97.10188	12.3
99.08102	2.8
105.07036	34.4
107.04984	8.3
107.08592	39.3
109.06530	5.4
109.09472	4.1
109.10159	46.9
111.04434	5.5
111.08074	5.6
111.11650	2.7
117.07029	16.1
119.08604	25.2
121.06461	3.2
121.10155	35.7
123.08080	6.4
123.11727	7.5
125.09638	10.9
128.06235	2.8
129.07031	7.1
131.08568	25.5
133.10139	20.1
135.08014	5.6
135.11719	24.2
137.09636	5.8
139.11189	7.5
142.07780	3.2
143.08569	9.6
145.10115	27.0
147.08040	6.6
147.11668	13.1
149.09642	7.4
149.13316	7.8
151.11153	2.9
155.08563	3.8
157.10175	9.8
159.08069	3.2
159.11700	9.6
161.13231	4.8
163.11188	10.5
163.14774	3.4
165.12846	3.9
171.11699	8.3
173.09641	6.8
173.11720	8.5
173.13312	10.2
175.14914	5.1
181.12273	5.1
183.11603	3.1
185.13263	5.1
187.14882	5.6
189.11205	5.3
191.10698	4.8
193.10228	4.0
193.12259	7.5
195.11774	3.2
207.11708	5.4
209.11653	5.3
211.13280	7.7
215.14670	3.0
227.12749	6.0
229.14349	8.3
243.21153	3.3
245.13875	6.2
247.17107	2.7
259.20572	3.4
261.22174	11.3
267.15891	2.8
277.21640	5.2
283.15549	5.9
301.16415	8.8
333.24847	2.9
335.25742	18.8
353.26547	7.7
451.31921	5.0
469.33264	4.5
487.34357	4.8
489.35785	37.6
543.36652	15.7
561.37921	26.5
579.38989	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.2
55.01870	3.1
55.05272	1.3
55.05513	13.1
57.03442	6.0
57.07066	3.5
65.03934	3.2
67.05507	63.1
69.03426	4.4
69.07072	13.3
70.95643	2.8
71.04983	2.4
73.02906	3.8
79.05494	35.0
80.81944	1.2
81.03421	6.3
81.07059	73.0
83.04964	2.6
83.08626	5.8
85.02901	3.1
85.06541	3.5
91.05480	20.5
93.07044	49.1
95.04951	2.9
95.08611	54.4
97.02893	1.6
97.06516	3.8
97.10162	3.4
98.98462	3.2
99.04435	3.7
99.08091	2.4
105.07031	17.8
107.08599	34.3
109.02875	8.8
109.10165	31.5
110.03638	3.3
111.04457	3.3
111.96122	1.1
113.09646	1.7
117.07030	8.7
119.08588	15.0
121.10148	31.0
123.08048	1.9
123.11705	17.0
125.09650	1.7
127.03911	3.3
129.06966	1.9
131.08580	17.4
132.99525	2.0
133.10141	15.7
135.11696	20.6
136.54764	1.2
137.09624	1.6
137.13234	6.4
139.11139	1.6
143.08592	1.8
145.10138	16.9
147.11700	8.9
149.09618	2.0
149.13261	17.6
151.11183	1.2
151.14847	1.7
157.10077	1.5
159.11710	12.1
161.13264	9.2
163.14848	11.9
171.11725	1.2
172.74016	1.2
173.13246	14.6
175.14842	2.1
177.12810	2.1
177.16376	4.5
179.14314	2.5
183.11694	1.6
185.13290	1.7
187.14848	7.9
191.00122	1.9
191.14429	1.2
201.16441	2.8
205.15875	1.3
233.22615	3.3
243.21086	24.2
243.23392	2.1
244.21376	1.4
261.22144	100.0
263.23593	2.4
279.23160	5.1
303.23517	1.3
335.25821	19.1
337.27368	1.8
345.40863	1.2
353.26889	72.5
354.27173	1.6
358.85794	1.4
377.26828	1.8
443.27756	1.4
451.21353	2.0
469.22717	2.1
561.27576	6.7
579.28699	1.6
579.38257	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	579.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.9
54.18007	1.3
54.89412	1.4
55.01869	2.1
55.05519	16.3
57.03453	7.8
57.07073	6.4
58.36472	1.4
59.04997	1.6
65.00572	1.3
65.03942	4.5
67.05511	80.4
67.50696	1.4
69.03446	5.6
69.07074	18.0
70.62817	4.8
71.05001	2.4
71.08629	2.1
73.02915	4.4
79.05503	45.5
81.03432	9.0
81.07066	88.8
81.79960	1.5
83.04983	3.1
83.08628	9.0
85.02932	4.7
85.06538	3.3
91.05487	26.1
93.07053	54.6
95.04968	4.7
95.08617	68.9
96.94756	1.4
97.06528	5.2
97.10184	3.5
98.97868	2.7
98.98476	37.8
99.04451	4.3
99.08102	2.9
99.20391	1.5
105.04414	1.4
105.07046	23.9
107.08611	38.6
109.02907	11.1
109.06537	2.2
109.10165	37.4
110.03661	4.9
111.04480	4.3
111.08090	2.3
113.09654	1.7
117.07021	11.1
119.08587	21.6
121.06512	1.5
121.10154	33.5
123.08067	2.9
123.11732	18.6
125.09644	2.6
127.03906	3.4
129.07001	3.0
131.08578	22.8
133.10133	18.4
135.11711	24.9
137.09636	1.8
137.13286	8.7
142.07693	1.7
143.08546	2.8
145.10138	18.4
147.11699	13.7
149.09680	2.4
149.13280	20.3
151.14880	3.7
155.01054	36.8
157.10188	3.3
159.11703	13.7
161.13339	11.4
163.11226	3.0
163.14813	11.9
165.12756	1.6
173.13268	15.9
175.14832	4.9
177.12712	2.0
177.16432	4.8
181.10205	2.5
184.07399	1.5
185.13324	1.8
187.14790	9.0
191.00073	3.9
193.10176	2.2
197.13208	2.4
201.16281	2.3
205.15877	1.8
233.22682	3.7
243.21133	25.4
245.22652	4.1
261.22174	100.0
263.17801	2.0
263.23676	10.4
279.23218	3.1
303.23340	2.6
317.06235	3.6
335.25818	13.2
337.27454	25.0
353.26938	71.8
443.28085	1.8
451.21671	2.4
462.24738	1.5
473.20129	3.7
494.53821	1.7
517.24860	1.5
543.35931	2.3
561.27338	3.9
561.36908	2.8
579.28595	1.8
579.38336	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	579.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.7
56.05029	1.0
60.04527	0.5
70.02953	0.9
70.06595	7.0
70.81030	1.0
72.08159	6.5
74.06073	0.5
84.04505	1.0
84.08150	5.3
85.02917	0.5
86.09709	11.5
88.04014	2.8
91.05470	1.0
93.07011	0.9
94.53775	0.4
99.05559	1.2
101.07144	10.2
103.05462	4.3
112.11242	1.1
114.05500	0.6
116.07095	0.6
118.08656	2.4
120.08111	100.0
121.08450	0.8
124.03957	0.7
127.05042	1.2
127.08675	1.7
129.06615	10.3
129.10246	3.0
130.06549	1.4
132.08086	1.3
136.07549	2.0
137.07962	0.6
141.06589	1.7
143.11844	1.7
145.06161	0.6
146.09644	1.9
155.08188	1.9
157.13387	0.8
159.07678	5.0
167.07054	0.9
169.13333	1.0
172.07617	0.5
172.10822	1.4
173.05600	1.0
175.08708	0.7
185.12874	0.9
187.07162	5.1
189.12354	3.4
191.11826	1.4
196.49417	0.4
197.12898	0.9
198.08807	0.6
200.07103	0.4
200.10332	1.2
203.11885	0.6
209.45717	0.5
217.09683	2.5
219.11449	0.8
231.11334	1.6
233.16510	1.7
235.10811	4.8
244.09290	9.9
258.12259	0.5
261.16000	2.1
263.10278	9.7
276.13474	2.8
286.14023	0.7
287.13504	0.5
288.13547	0.7
304.15143	1.0
312.15482	0.7
315.12973	5.1
319.18005	0.6
320.12500	0.8
332.19785	0.6
334.14014	3.3
336.19403	0.8
345.15530	1.4
346.14111	1.2
347.17471	0.6
357.17761	1.2
363.16626	5.1
373.15079	1.2
387.20074	1.0
391.16150	7.0
392.60306	0.4
415.19714	0.6
416.19394	0.6
417.17746	2.4
431.22809	0.7
433.20935	1.2
434.20535	2.7
444.18552	0.8
451.21857	0.5
458.23758	0.9
459.22577	1.3
462.19940	4.2
476.25113	3.4
504.24432	2.7
561.26740	0.7
579.21643	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2607
Annotation	Phellophyll a
Peak:m/z	Relative Intensity
55.05511	0.6
55.95482	0.5
57.07066	0.5
67.05498	1.9
70.81281	0.9
70.81660	1.0
71.08688	0.5
79.05512	0.5
79.62737	0.5
81.07061	1.1
81.84364	0.5
95.08566	0.5
109.10148	1.1
158.09647	0.5
178.65059	0.5
279.16144	0.5
289.16916	0.6
312.14957	0.6
340.61407	0.5
363.16162	1.3
364.17130	1.0
365.17862	0.7
370.68283	0.5
375.16080	0.6
376.17236	0.9
377.17834	2.1
378.18503	1.3
379.19110	2.8
389.17819	1.8
390.18747	1.0
391.14917	1.0
391.19836	2.4
392.16071	0.8
392.20581	1.2
393.20816	3.6
394.06833	0.5
403.19357	1.2
404.19925	1.9
405.17084	2.1
405.21869	2.2
406.17920	3.0
407.18472	2.3
407.23178	3.3
408.23471	0.6
417.21371	0.7
418.21872	0.8
419.14221	0.9
419.18518	1.0
419.22665	1.7
420.15112	0.8
420.19623	1.4
420.24051	0.7
421.20029	10.3
422.21069	0.8
429.20840	0.9
431.18863	1.2
432.19687	0.6
433.16080	3.6
433.24731	0.9
434.16537	2.8
435.17191	7.9
435.22614	3.0
436.22711	15.0
437.23300	1.4
445.20334	0.8
447.22620	4.3
448.18808	3.2
449.19339	14.3
450.24466	2.2
459.21716	1.2
460.22479	1.6
461.19324	0.7
462.20618	1.4
463.21167	11.8
464.22195	2.4
465.22620	0.6
467.37485	2.6
473.23123	1.0
474.24127	1.2
475.20944	12.4
476.21536	1.0
477.23016	7.3
487.21381	0.8
491.24744	3.5
492.21548	17.7
493.21967	1.7
494.23169	0.9
501.23126	1.1
503.24600	2.5
507.27429	2.4
508.25092	0.8
519.24194	3.4
521.21405	0.6
522.22784	1.0
523.27094	13.9
523.34595	0.9
533.25604	1.8
535.27124	3.9
536.24023	0.6
547.23193	2.1
551.26593	29.3
552.26776	1.2
561.24988	1.6
579.26068	100.0
580.26453	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1715
Annotation	RHOIFOLIN
Peak:m/z	Relative Intensity
55.05501	0.1
56.05038	0.1
56.88352	0.1
57.03428	0.1
61.43664	0.1
67.01871	0.5
67.05506	0.2
68.99808	0.3
69.03421	0.1
70.06596	1.5
71.04990	0.7
71.28968	0.2
72.08159	0.8
73.02914	0.1
74.06066	0.1
81.03380	0.1
83.04977	0.1
84.04500	0.4
84.08149	0.9
85.02903	0.9
86.09716	1.4
87.09443	0.1
91.05473	0.5
93.07021	0.1
95.06081	0.2
97.02895	0.2
109.02882	0.1
110.07182	0.1
112.07569	0.1
119.04942	2.0
120.08105	0.8
121.02882	0.6
121.08453	0.2
129.01813	0.1
129.05476	0.3
129.10275	0.5
145.02847	0.9
153.01833	4.7
163.03969	0.5
171.02927	0.5
185.11392	0.1
186.34857	0.1
187.03856	0.1
203.03688	0.1
206.29700	0.1
225.05461	0.3
229.05052	0.2
233.16457	0.2
243.06567	0.3
247.06198	0.1
254.05470	0.1
271.06018	100.0
272.06342	1.0
275.41010	0.1
298.09830	0.1
307.33224	0.1
369.14532	0.1
422.26028	0.1
433.11478	0.3
513.48212	0.1
579.16876	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.1
55.05496	0.2
56.05032	0.1
57.03437	0.1
58.99677	0.1
61.02899	0.1
67.01870	0.5
68.99804	0.2
69.03428	0.1
69.07066	0.1
70.06258	0.1
70.06599	1.4
70.18423	0.1
71.04996	0.6
71.50421	0.1
72.08160	0.8
73.58442	0.1
74.06062	0.1
81.03393	0.1
82.06545	0.1
83.04983	0.1
84.04507	0.4
84.08146	0.9
85.02905	1.1
86.09715	1.2
88.04005	0.1
91.05476	0.7
93.07054	0.1
95.06105	0.1
97.02893	0.1
98.06061	0.1
99.04468	0.1
102.05555	0.2
110.07166	0.2
112.08731	0.1
115.08675	0.1
116.07079	0.1
119.04952	2.1
120.08125	0.8
121.02850	0.7
121.08443	0.1
129.01811	0.2
129.05473	0.1
129.10274	0.5
131.04932	0.1
143.11806	0.1
145.02838	0.7
153.01840	4.9
159.09157	0.1
163.03934	0.5
167.06979	0.1
171.02917	0.5
185.05893	0.1
187.03941	0.2
197.06036	0.1
203.07025	0.1
225.05391	0.4
229.04942	0.3
233.16618	0.2
243.06595	0.3
247.06110	0.1
253.04912	0.1
254.05685	0.1
271.06024	100.0
272.06360	1.1
377.18213	0.1
433.11176	0.2
456.43222	0.1
538.15240	0.1
540.16382	0.1
579.16803	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	578.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.4
55.01870	1.9
55.05519	11.8
57.03440	9.0
57.07060	1.8
57.95790	1.6
65.03948	2.9
66.04682	1.5
67.05513	39.0
68.91029	1.5
69.03431	2.2
69.07075	12.7
71.05008	2.0
79.05505	30.3
81.07059	33.9
82.50777	1.5
83.04973	3.0
83.08624	6.9
85.04134	1.5
85.06545	1.8
91.05485	16.2
93.07050	44.6
95.04980	7.8
95.07999	2.4
95.08607	45.8
95.09177	2.8
97.06555	3.9
99.04480	3.3
105.07024	9.8
107.04987	5.4
107.08602	29.4
109.06484	2.0
109.10163	9.4
117.07038	8.6
119.08584	12.7
121.06479	3.5
121.10149	18.0
123.11752	2.6
127.30669	1.5
128.71622	1.7
131.08580	5.3
133.10146	6.2
135.11702	34.0
139.07574	1.7
145.10127	19.5
147.11714	4.1
149.13226	2.5
159.11664	2.8
163.11198	35.3
163.14873	2.4
173.13263	2.3
180.59157	1.8
181.12300	7.2
227.12788	64.2
229.81166	2.9
242.84396	1.8
261.22186	6.3
283.15414	39.3
335.25818	100.0
396.95355	1.9
543.36890	50.8
544.37073	2.2
572.10510	1.9
578.40521	3.9
579.38580	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	578.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29935	0.8
50.43969	0.8
53.03932	1.3
55.01880	2.0
55.05515	1.1
56.05041	3.4
57.03441	2.4
58.99593	1.6
59.01371	1.1
60.04518	1.9
67.01862	3.9
67.05500	1.9
68.05037	2.2
69.03435	35.6
69.34647	7.3
70.06600	19.0
71.04999	2.9
71.06939	1.1
72.08160	10.5
73.01160	1.4
73.02924	4.6
73.03374	0.9
79.05490	1.2
79.79712	0.9
80.05026	1.4
81.03426	11.6
84.04510	8.1
84.08151	11.0
85.01130	5.6
85.02914	18.5
86.09711	11.4
86.49558	0.9
87.04488	1.3
87.05626	1.0
88.03999	5.2
89.00620	1.1
91.05473	1.4
93.03378	1.1
95.01359	0.9
95.04952	1.1
95.06122	1.8
96.04495	6.1
97.01128	1.1
97.02901	6.7
97.03422	1.0
97.06576	0.9
98.06088	1.7
98.99059	3.2
99.02698	4.9
99.04463	34.7
100.02209	3.4
101.00598	1.1
101.07128	1.2
102.05534	1.3
103.03954	10.1
107.04960	2.2
108.04527	2.8
109.02892	6.1
110.07230	2.1
111.04491	1.0
112.03988	1.9
112.08747	1.9
113.00640	1.2
113.02370	4.6
114.03752	2.4
115.03964	1.4
115.64960	0.8
116.07101	1.7
117.00086	8.9
120.08128	2.2
121.02969	0.9
122.02742	1.8
123.04453	2.6
124.02189	1.6
124.03960	3.1
125.00622	1.0
125.06018	1.7
126.05502	3.0
127.03929	100.0
128.04227	1.2
129.10243	6.1
130.05016	2.1
131.01645	2.7
131.04933	0.9
134.02721	1.0
136.03918	1.0
136.07613	1.6
138.05519	1.8
138.06612	1.4
140.07057	1.4
142.03233	6.2
144.99557	20.3
145.04974	12.7
146.02760	2.0
147.01186	1.0
147.07658	1.4
150.05556	1.6
151.03922	10.1
151.05023	1.5
154.04932	1.4
155.03412	2.2
155.11807	1.1
158.08134	1.0
161.02644	1.5
163.03972	1.4
165.05589	1.6
166.03195	1.9
166.86543	1.0
170.02728	49.9
177.02162	15.8
178.05064	1.3
184.04300	2.2
187.06026	15.0
188.03766	3.7
196.06046	1.9
197.04431	1.5
198.02238	3.8
200.03777	1.2
202.05319	1.2
211.06091	1.9
212.03836	3.7
214.07161	1.2
216.03279	30.3
219.03259	3.7
229.07086	9.3
230.04782	3.1
244.12909	1.2
247.08171	7.0
248.05968	3.5
249.04254	3.1
253.07036	1.0
258.04343	4.4
266.06995	2.2
271.08121	3.9
279.05417	3.6
289.09286	5.0
290.06927	1.1
291.05313	3.3
308.08035	14.5
310.07278	0.9
321.06479	1.3
328.08603	5.4
342.06393	1.4
346.09891	0.9
351.07407	4.1
356.07919	2.3
364.10486	2.0
374.09073	35.7
392.10040	9.5
393.08905	1.1
410.11203	31.8
539.94568	1.2
578.26434	1.1
600.29034	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.2
55.01859	2.3
55.05516	18.4
55.43213	2.3
57.07072	4.3
65.03947	2.5
67.05183	3.4
67.05511	43.0
69.03461	1.9
69.07069	26.3
70.06574	2.6
71.04991	3.3
71.08630	2.2
71.50330	1.7
71.50729	2.5
79.05496	31.5
81.07062	100.0
83.04985	3.0
83.08617	12.3
85.06556	2.3
91.05478	27.3
93.07053	77.4
95.04953	6.0
95.08614	86.3
97.06536	3.9
97.10180	7.6
101.25314	2.5
103.05475	2.0
105.07036	48.5
107.08604	71.0
109.02858	2.0
109.06511	3.7
109.10164	69.3
111.08057	2.2
111.11700	3.5
117.07027	7.5
118.85271	1.9
119.08591	52.2
121.10153	48.6
123.08089	3.0
123.11703	26.8
125.09634	3.9
127.11219	3.0
129.06985	2.9
131.08575	13.1
133.10139	30.1
135.11707	32.3
137.13257	6.1
139.11221	2.8
139.51630	2.0
142.07765	2.6
143.08566	6.5
144.09337	4.2
145.10130	23.2
147.11694	28.7
149.13271	36.1
151.11183	1.9
151.14815	2.7
156.09370	3.4
157.10146	8.5
159.11707	24.3
161.13260	20.1
163.14841	20.7
165.12796	2.7
169.10118	4.3
171.11664	9.0
173.13257	17.4
175.14859	17.2
177.16393	8.4
183.11682	4.0
185.13278	6.4
187.14833	9.4
189.16328	12.0
191.17995	6.4
197.13258	3.9
199.14827	6.3
201.16397	7.7
203.17917	7.5
207.17596	2.0
211.14890	2.5
213.16379	7.2
215.18028	9.4
217.19572	6.3
225.16365	2.4
227.17963	7.4
229.19490	6.4
233.18953	3.2
241.19550	4.3
243.21112	4.8
257.22690	2.6
259.20859	2.5
267.21121	3.5
269.22659	4.2
271.24066	2.9
272.03473	2.0
283.24231	2.5
301.25308	2.2
351.30450	2.2
519.45599	3.2
541.47241	7.1
559.48730	28.3
577.28876	5.6
577.35535	9.7
577.49731	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23527	2.9
52.85387	3.2
53.03948	5.8
55.00725	3.0
55.01874	5.4
55.05513	30.8
57.03436	15.0
57.07075	6.5
57.33158	2.9
59.04998	9.9
63.76962	3.0
65.03938	3.6
67.05186	6.1
67.05512	92.2
69.03432	7.1
69.07074	29.1
69.40007	11.6
69.40430	14.0
71.04995	17.0
79.05495	59.3
81.03429	23.1
81.07066	100.0
83.04966	8.9
83.08611	21.8
84.08120	3.5
85.06537	9.3
87.04474	9.5
91.05483	59.8
93.06487	4.8
93.07050	66.6
95.04968	13.9
95.08611	67.9
97.06528	10.7
97.10170	14.2
98.21503	7.6
99.08074	4.3
105.04549	4.3
105.07043	58.7
107.08599	37.5
109.06475	6.2
109.10174	35.0
111.08083	5.2
116.92519	3.2
117.07016	21.6
119.08581	45.2
121.06496	3.7
121.10150	36.7
122.01089	3.2
123.08064	4.8
123.11714	12.7
125.09609	12.5
129.06992	13.8
131.08600	42.3
133.10161	35.5
135.08047	4.9
135.11678	19.5
137.09636	5.7
137.13249	7.6
143.08565	13.1
145.10146	26.5
146.96297	3.5
147.08072	3.3
147.11696	23.6
149.09653	7.3
149.13310	9.7
155.08585	9.3
157.10130	21.7
159.08002	3.6
159.11681	26.4
161.09650	4.0
161.13278	13.4
163.11182	4.1
163.14835	3.7
169.10117	9.9
171.11729	8.5
173.11867	3.8
173.13275	13.6
175.11136	6.4
175.14861	7.4
183.11761	7.2
185.13242	6.7
187.14838	8.6
189.11284	10.1
193.12244	8.7
195.46049	3.2
197.13315	7.3
199.14995	6.4
209.13312	4.1
211.14906	5.3
227.12813	12.2
259.20761	3.6
261.22217	6.0
267.15948	23.6
278.69836	3.4
289.21622	8.9
301.25253	10.2
303.23080	4.9
335.25818	16.5
361.27017	4.0
363.25092	5.4
417.31500	7.7
435.27335	4.9
435.32626	14.3
446.17960	3.3
453.33466	14.2
471.34741	9.4
527.37384	44.6
545.30603	4.1
545.38464	50.8
559.39648	12.6
577.24591	5.1
577.39886	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	576.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69550	3.3
55.05511	11.9
55.27912	2.9
57.03448	16.4
57.06876	2.9
57.07088	30.9
67.05508	24.5
69.07069	11.6
71.08642	24.4
71.21760	5.7
79.05492	11.0
81.03423	69.0
81.07064	33.6
82.61383	2.9
82.92181	3.4
83.05003	4.3
83.08615	18.6
84.03303	3.0
85.10192	16.9
87.04477	3.7
91.05509	15.1
93.07038	11.8
95.04981	20.6
95.08606	23.7
97.10175	5.7
105.07031	11.7
107.08605	7.3
109.06541	3.0
109.10175	14.1
110.10542	3.5
111.08108	4.2
119.08580	10.3
121.10161	9.4
129.06969	3.8
131.08600	4.4
133.10136	4.9
147.11699	7.8
157.10161	6.9
175.11209	6.0
187.91141	3.5
193.12227	18.6
213.86572	3.5
264.52444	3.5
267.15942	100.0
311.43494	3.3
313.27377	90.0
354.02859	3.2
443.04080	3.1
478.99460	3.1
505.38995	73.7
576.50702	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	576.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67629	2.2
55.01855	2.5
55.05511	6.2
57.07066	2.4
62.08615	3.0
67.05510	21.3
69.03435	16.3
69.07059	9.1
69.27438	5.0
69.27849	19.2
76.02240	5.4
79.05523	17.8
81.07068	31.2
83.04971	5.7
89.74741	2.8
91.05488	18.1
93.07045	16.0
95.04981	5.0
95.08157	2.7
95.08627	29.5
97.06541	22.4
105.07040	29.6
107.08592	40.5
109.06537	21.0
109.10164	42.6
111.04485	4.3
111.08069	12.7
115.05431	3.4
117.07014	6.2
118.53179	2.6
119.08582	24.7
121.06510	12.6
121.10148	19.6
122.02739	13.9
123.08078	8.1
123.11694	8.5
125.06021	21.8
125.09651	12.8
127.07599	3.5
128.06215	7.5
129.06987	6.7
131.08604	18.3
133.10170	24.3
135.08083	14.3
135.11703	13.9
137.09616	11.7
139.11182	6.0
141.07010	5.5
142.07776	4.3
143.08551	25.9
145.06496	5.4
145.10149	18.4
147.08041	10.6
147.11694	11.7
149.09599	5.3
149.13281	8.1
153.09116	10.9
155.08557	11.2
155.10669	9.4
157.06487	4.3
157.10162	14.8
159.08044	13.0
159.11705	16.6
161.09657	17.0
161.13272	3.8
163.11179	7.7
165.07021	6.1
167.08578	6.8
168.09341	5.0
169.10083	18.1
170.11073	3.4
171.08060	100.0
171.11626	13.7
173.09604	12.8
173.13274	11.4
175.11134	10.7
175.14749	3.4
177.12727	4.1
179.08589	10.9
180.09245	3.5
181.10202	16.7
182.07289	2.9
183.08049	9.8
183.11694	17.1
185.09615	17.3
185.13237	8.2
187.11240	7.1
189.09175	4.9
189.12776	2.9
189.16374	3.7
191.14307	3.4
193.10173	9.9
195.08018	9.6
195.11713	13.7
196.08786	5.7
197.09634	40.9
197.13297	9.5
199.11208	6.0
199.14809	4.9
201.12756	6.1
201.16463	3.2
203.14227	3.4
205.10103	7.9
206.10866	4.6
207.11615	6.7
208.08859	7.7
209.09619	16.6
209.13231	7.6
210.10286	3.9
211.11255	28.9
211.14813	5.8
212.11481	3.4
213.12799	8.4
213.16183	3.2
215.14276	3.5
219.11690	7.7
221.09680	22.2
221.13269	6.1
222.10344	4.1
223.11212	27.6
223.14752	4.7
225.12787	11.3
227.14371	6.3
233.13263	8.8
234.10347	3.5
235.11182	11.0
235.14778	4.1
237.12798	18.4
237.16469	6.8
239.14331	7.5
241.15858	5.8
245.13202	4.0
246.10364	6.5
247.11110	3.8
247.14861	5.4
248.11923	3.6
249.12810	5.9
249.16301	6.5
251.14337	10.7
261.12759	20.5
261.16357	3.4
263.14426	19.3
263.18066	4.1
265.15891	39.8
267.17383	11.9
275.14157	3.0
277.15924	7.6
279.13785	11.1
279.17325	5.7
281.15305	8.5
281.18915	3.6
283.16913	10.1
289.15869	4.6
291.17502	41.1
295.20691	4.6
303.17285	5.7
305.19077	5.8
309.18475	11.7
311.19724	3.6
317.19073	4.6
373.25235	10.4
383.23737	10.8
391.26260	10.7
393.24182	21.2
401.24783	46.0
419.25858	67.2
433.22345	3.3
437.26874	50.3
455.27847	33.7
479.10577	3.5
540.27576	3.4
558.28693	10.6
576.29828	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08251	1.2
55.01870	1.4
55.05507	2.0
56.05033	5.4
61.02937	1.5
67.05513	2.0
69.03410	1.4
69.07072	7.8
69.69424	7.0
70.02946	6.7
70.06593	25.1
72.08159	20.7
73.08492	1.4
74.06091	10.4
79.05466	1.8
81.07037	1.3
82.06580	4.0
83.06116	2.0
84.04513	12.1
84.08150	13.8
85.02902	1.7
85.04048	1.8
86.09714	100.0
88.04001	60.5
91.05473	1.4
93.07052	1.6
95.06080	2.2
97.02900	2.2
97.06537	1.3
98.02402	2.2
99.04404	1.2
99.05600	1.3
100.07578	2.8
101.07102	1.1
102.05547	1.9
107.04962	1.4
110.06031	1.6
110.07183	2.2
110.09693	1.6
111.05581	9.8
112.03981	9.5
112.08749	1.5
115.08649	1.3
116.07124	1.8
118.03496	1.2
120.08101	5.6
125.07126	4.3
126.05540	14.0
127.03956	1.9
127.05038	3.4
129.06609	4.3
129.10254	5.6
130.05011	1.5
132.10159	1.6
136.07571	4.7
139.05040	3.4
140.07060	1.8
141.10245	3.1
144.06569	24.0
145.06113	1.4
147.04501	1.4
153.06596	12.8
154.04938	1.4
155.08151	2.5
156.10187	5.0
166.08665	2.2
171.07634	5.1
173.05684	2.6
181.06004	1.7
183.11304	2.4
185.16516	1.9
186.47011	1.3
189.08705	13.0
199.07158	63.6
201.12383	22.4
215.10326	1.4
216.10168	1.6
217.08217	12.8
229.11874	11.8
242.11348	4.2
245.18620	9.4
261.14594	1.4
288.05716	2.6
288.08524	1.6
296.09036	2.0
314.09860	30.4
314.13339	2.1
332.10892	83.2
399.18842	2.2
417.19897	15.0
445.19156	10.6
446.95551	1.3
452.13516	1.4
558.29266	1.3
576.30371	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	575.613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80386	0.9
53.03941	2.1
55.01869	1.0
55.05513	38.0
57.03423	0.8
57.07078	67.5
58.07423	1.0
65.03964	1.5
67.05507	60.1
68.05831	1.4
69.07070	60.0
71.04981	1.0
71.08634	50.2
71.50928	0.8
74.09752	0.8
77.03918	1.0
79.05499	17.1
80.05837	1.2
81.07057	89.4
82.07397	2.3
83.08620	51.8
85.06578	1.8
85.10184	30.7
87.04465	2.6
91.05479	8.6
93.07046	15.2
94.07367	1.4
95.04984	1.1
95.08611	100.0
96.08929	1.4
97.06528	1.1
97.10172	42.7
99.08079	1.8
99.11708	3.9
100.42863	0.7
105.07048	6.9
107.08574	7.1
109.10162	53.5
110.10492	1.1
111.11724	27.8
113.13264	1.5
119.08576	4.9
121.10152	7.3
123.11709	26.0
125.13280	11.9
127.14832	1.4
131.08598	1.4
133.10136	5.1
135.11736	4.5
137.13245	11.3
139.14822	3.8
141.16350	1.5
145.10123	2.1
147.11716	2.9
149.13290	2.6
151.14809	8.8
153.16342	1.6
156.09361	0.8
161.13275	2.4
163.14850	2.8
165.16432	6.6
171.11702	1.1
175.14922	1.4
179.17918	3.6
187.14764	0.7
188.48776	0.7
207.21123	1.0
221.22655	1.5
239.23738	5.6
243.17247	0.7
245.22684	1.5
263.23730	3.5
263.27429	1.1
291.30585	1.9
305.31949	1.1
313.27502	1.3
319.26529	1.1
333.35361	0.8
336.64401	0.8
361.38260	3.0
482.39719	1.6
508.39560	0.7
511.83841	0.8
540.44244	1.0
557.60327	11.9
575.42004	2.4
575.50311	48.6
575.61169	8.7
576.50842	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	575.1399
Annotation	6,7,3',4'-Tetrahydroxyaurone 6-O-(3'',4'',6''-tri-O-acetylglucoside)
Peak:m/z	Relative Intensity
53.03943	0.3
56.96558	0.2
67.01884	0.5
68.99802	0.8
69.03437	7.7
69.17980	1.1
69.18404	1.1
70.06597	2.5
71.04992	0.5
72.08147	1.6
73.02910	0.4
79.05513	0.2
81.03431	1.5
82.06545	0.4
84.04493	0.5
84.08136	1.1
85.02916	1.7
86.09721	1.8
88.04023	0.3
95.04887	0.2
97.02894	1.1
98.05999	0.3
98.21546	0.4
99.04465	6.4
107.04965	0.3
109.02885	1.6
110.07099	0.2
111.00803	0.6
113.02367	0.6
120.08111	0.6
121.02883	5.4
123.04436	0.2
127.03925	24.8
128.04253	0.2
129.10252	0.6
133.02901	0.5
137.02393	1.0
138.71265	0.2
145.04979	1.4
145.06520	0.2
147.04424	0.8
153.01836	4.4
157.06447	0.4
165.01839	2.0
171.04416	0.4
183.02896	0.9
185.05954	0.6
210.30237	0.2
213.05518	1.2
215.14024	0.2
231.06531	0.8
241.04866	1.2
245.04369	0.3
258.05276	1.0
259.06064	0.4
262.57977	0.2
271.08148	1.1
287.05518	100.0
288.05804	1.4
329.06488	0.6
574.36365	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.0
54.18991	3.4
55.05520	23.3
56.06473	3.3
57.03441	8.6
57.07079	22.3
60.44498	3.7
65.42600	3.4
67.05502	23.0
68.79768	3.3
69.07075	28.6
71.08624	10.0
71.38669	3.2
71.51500	3.7
72.32705	3.2
79.05505	17.2
81.03430	64.3
81.07059	23.8
83.04962	4.7
83.08629	27.4
85.10178	4.4
86.63293	3.7
86.83694	3.3
87.04479	33.7
91.05489	15.7
93.07054	19.6
95.04974	16.6
95.08645	16.7
97.06532	3.4
97.10167	15.0
105.07010	13.9
105.07616	3.5
107.08584	8.6
109.06477	5.9
109.10132	6.4
111.08099	5.5
111.11730	7.9
119.08570	15.5
121.10130	9.5
123.08060	3.8
123.11711	5.3
129.07037	7.3
131.08575	8.0
133.08659	3.4
135.11696	5.8
147.11742	5.2
149.09767	4.2
149.13245	6.2
157.10144	5.5
159.25284	3.3
165.12567	3.4
175.11229	3.6
193.12250	17.6
267.15945	100.0
311.25809	59.6
313.27313	4.3
503.37283	47.5
574.25232	18.8
574.39526	6.8
574.48297	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	574.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	33.2
57.03436	12.8
57.07074	29.2
60.05647	12.0
65.74706	4.3
67.05509	30.1
69.07072	37.0
71.08633	12.3
79.05507	25.7
81.03416	59.9
81.07049	25.9
82.18470	4.9
83.08617	36.3
83.89742	4.7
85.08980	4.4
86.00357	4.3
87.04478	61.3
91.05482	21.6
93.07051	22.0
95.04954	17.9
95.08616	24.0
97.06525	5.4
97.10174	16.1
105.07040	14.6
107.04958	9.6
107.08616	12.1
109.10147	11.6
111.08131	7.2
111.11670	5.2
119.08569	19.4
121.06516	6.5
121.10120	17.7
123.11704	5.8
124.12189	4.8
129.07037	6.9
131.08618	10.0
133.10150	6.9
135.11697	7.8
145.10150	7.9
147.08060	7.6
147.11705	13.2
157.10124	9.0
193.12242	18.4
267.15933	100.0
311.25790	67.6
313.27908	6.1
348.85672	5.2
362.24365	4.8
503.37308	68.5
574.40210	9.7
574.48834	31.6
575.22742	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	574.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69093	0.3
54.10638	0.4
58.06606	5.3
59.05014	0.7
61.39278	0.3
68.05023	0.5
69.03435	8.3
69.17733	0.9
69.18127	3.8
75.44261	0.3
81.07066	0.5
81.75565	0.4
86.06073	19.7
87.04474	53.5
91.05502	0.7
95.08604	0.5
102.37490	0.4
104.07112	100.0
107.07804	0.4
107.08604	0.4
119.08549	0.4
121.10150	0.4
145.10088	0.5
184.07365	1.0
263.14197	0.5
304.51105	0.4
451.30948	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.4
54.02311	1.3
55.01875	1.5
55.05506	3.3
57.03441	2.1
57.07085	31.4
59.04992	2.9
67.05518	10.1
69.07075	6.4
69.17503	13.4
70.06575	1.4
71.08636	17.7
78.10406	1.2
79.05482	2.7
81.03421	2.5
81.07069	10.5
83.08624	8.2
85.10197	8.0
87.04478	100.0
89.06030	3.0
91.05464	3.0
92.48056	1.5
93.07061	4.4
95.08617	14.2
96.08961	1.5
97.10165	4.2
105.07037	3.1
107.08616	3.2
109.10178	7.0
117.79099	1.1
119.08611	2.2
121.06488	4.0
121.10177	2.3
123.11707	2.6
131.08554	1.1
135.11710	1.7
137.13332	1.4
145.10138	2.1
147.08084	2.1
154.73946	1.2
159.11650	1.9
165.09221	1.5
176.81776	1.3
219.12120	1.5
221.15469	1.3
233.18947	3.3
239.23759	16.1
246.01321	1.2
256.26340	2.5
257.24606	2.2
277.21646	3.2
300.28851	5.5
301.29434	2.9
313.27393	51.5
314.27686	2.0
317.24783	1.3
331.28503	6.0
394.80389	1.4
574.22437	2.7
574.39746	8.0
574.48993	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	574.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.01870	2.6
55.05507	3.9
56.05033	1.8
67.05502	3.5
68.05016	3.2
69.03419	3.3
69.07064	4.4
69.24049	10.1
70.06594	18.0
71.05002	2.6
72.08160	18.5
73.02935	1.4
74.06079	1.5
78.32528	1.0
79.05493	25.5
80.05013	5.4
81.03414	10.4
81.07063	10.6
82.06570	1.2
83.04984	5.0
84.04500	5.0
84.08144	7.7
85.02888	3.5
85.06536	1.9
86.09702	22.3
88.04007	1.2
91.05456	6.1
93.07059	8.4
95.04966	8.3
95.08601	3.3
96.04486	1.4
96.08099	1.1
97.02899	3.5
97.06520	9.6
98.06050	23.4
98.20697	1.8
99.04459	5.2
102.05529	1.1
105.07033	12.0
107.04944	6.6
107.08601	6.5
108.04466	1.1
109.02898	2.7
109.06526	5.8
109.10151	2.2
110.07146	2.5
111.04443	1.5
111.08086	1.9
116.07078	4.0
119.04935	1.5
119.08559	6.3
120.08104	9.0
121.06503	9.8
121.10110	1.9
121.35168	1.1
123.08048	1.8
123.11763	1.5
124.07594	6.3
125.05997	47.3
126.05571	1.4
126.09174	1.5
127.03908	2.1
127.07596	2.1
129.10255	4.8
130.04993	1.0
131.08594	2.9
133.10149	4.1
135.08070	4.3
136.07567	1.7
139.07536	5.1
142.08644	100.0
143.07053	3.7
143.08598	2.5
143.11842	1.5
145.10124	3.9
147.07951	2.2
147.11696	14.1
149.13277	2.2
157.10107	2.1
159.08075	1.2
159.11751	1.3
160.09703	63.5
165.12750	10.3
171.11713	3.0
173.09688	2.5
173.13107	1.8
175.07602	1.1
175.11086	6.1
178.10393	1.0
181.10110	1.2
187.10942	1.8
189.12814	4.1
191.10670	1.1
193.10574	1.2
193.12233	6.6
199.11230	2.0
199.18080	1.5
205.12154	1.4
206.08150	1.4
209.15370	2.0
213.12593	1.2
215.10513	2.3
217.12210	6.9
229.14371	1.8
232.09746	2.2
235.13344	4.9
247.12920	1.2
250.10735	2.0
253.14360	7.2
261.14645	1.3
314.17068	2.6
323.67676	1.1
328.18771	2.0
361.16684	1.8
363.18835	1.2
379.17487	2.5
380.05881	1.2
397.18549	2.6
432.57187	1.3
438.44485	1.3
520.25378	1.8
538.26483	1.7
556.27570	8.9
574.28577	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.8
55.01869	2.1
55.05513	3.5
56.05035	2.5
57.03424	1.6
60.04512	2.0
62.80342	0.7
64.87476	0.8
67.05504	4.0
68.05033	2.7
68.67857	0.7
69.03439	6.9
69.07057	3.8
69.72161	3.7
70.06596	17.0
71.01334	0.8
71.04986	2.0
72.08160	13.1
79.05500	23.4
80.05026	5.9
81.03422	8.4
81.07066	11.7
83.04996	4.9
83.05391	0.9
83.06103	1.4
83.08649	1.3
84.04516	5.8
84.08156	10.4
85.02905	5.1
85.06533	1.1
86.09708	18.0
86.10184	1.6
87.04477	1.1
87.85254	0.8
88.04040	0.9
91.05486	5.4
93.07053	16.8
95.04987	5.7
95.06059	1.0
95.08595	1.8
96.08131	2.0
97.02922	4.5
97.06541	5.6
98.06062	20.0
99.04477	3.9
99.37076	0.8
100.07630	0.8
102.05553	2.4
103.05459	1.2
104.07114	1.2
105.07041	9.0
107.04938	6.7
107.08597	7.7
108.04523	1.0
109.02882	3.4
109.06522	6.5
109.10173	2.0
110.07180	2.1
110.09660	1.2
112.11337	0.8
113.06021	1.3
115.08688	0.9
116.07122	4.1
119.04971	1.9
119.08596	5.7
120.08115	5.5
121.06519	10.3
121.10152	2.5
122.06041	0.8
123.04466	1.4
123.08088	2.5
123.11712	2.0
124.07592	6.9
125.06001	44.3
126.09111	0.7
127.03940	4.5
127.07546	3.1
128.06224	0.8
129.07018	1.2
129.10248	5.8
130.05028	0.9
131.08566	2.2
133.06505	1.4
133.10152	2.9
135.08060	6.3
136.07619	2.0
137.05968	1.9
138.09135	1.1
139.07555	3.9
140.07051	1.9
142.08646	100.0
143.07031	2.4
143.08714	1.0
145.04964	1.2
145.06508	1.0
145.10112	2.7
147.04388	1.9
147.07962	1.9
147.11710	19.2
148.07643	1.0
149.13281	1.8
155.08421	1.0
157.10141	4.5
158.08200	1.3
159.08012	0.9
159.11792	1.0
160.09714	50.4
161.13254	1.2
162.07671	1.0
163.11163	1.0
165.12776	11.9
166.08699	1.6
171.11627	4.5
173.09546	1.7
173.13210	0.9
175.11139	6.4
176.09293	1.0
177.03299	1.2
183.13806	1.3
184.09676	1.3
187.06000	2.0
187.10913	0.9
189.12758	3.9
193.12241	6.2
199.11099	3.9
199.17986	1.0
201.12437	1.1
202.10735	1.2
206.08153	0.9
207.13966	1.4
217.12236	8.4
219.13980	0.8
229.12175	1.7
229.14415	4.7
232.09853	1.4
235.13298	9.6
250.10776	1.2
253.14360	8.2
259.13464	1.2
308.00864	0.8
343.15765	0.8
361.16324	1.5
379.17731	1.7
397.18408	1.3
520.25433	2.2
538.26691	2.4
548.63708	0.9
556.27808	11.4
574.28662	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07963	1.1
53.03935	1.1
54.38596	0.8
55.01867	2.1
56.05031	1.9
57.03424	3.5
58.99576	0.9
65.03933	1.7
67.01869	2.5
67.05512	1.1
68.05023	1.3
69.03432	40.1
69.39883	2.4
69.40287	5.4
70.06590	9.8
71.04999	2.9
72.08165	5.6
73.01124	1.9
73.02921	6.9
74.06081	1.1
80.05006	1.7
81.03428	10.4
84.04512	5.5
84.08160	6.5
85.01144	6.8
85.02911	20.1
86.00639	1.1
86.09706	9.7
87.04493	1.5
88.02209	1.5
88.04010	4.7
89.00603	1.5
91.05484	5.4
96.04505	9.2
97.01128	1.4
97.02906	6.4
98.06062	1.4
98.99055	3.3
99.02710	7.0
99.04461	33.5
99.05105	1.8
100.02208	4.0
102.00124	1.3
103.03945	12.5
107.04965	2.4
108.04487	3.2
109.02879	6.0
109.06532	1.1
110.06110	1.3
111.60540	1.0
112.04002	3.2
113.00658	1.0
113.02357	5.7
114.03804	2.2
115.02190	1.3
115.03889	1.0
117.00104	8.6
119.04949	8.2
120.08091	1.0
122.02666	1.2
122.06028	1.7
123.04484	1.0
124.02174	1.5
124.03982	2.7
126.05524	2.3
127.03926	100.0
129.10275	3.5
130.05031	2.0
131.01643	2.9
132.01190	1.8
136.07661	1.1
138.05505	2.4
140.07069	1.8
142.03204	8.3
142.08710	1.5
144.99547	20.3
145.04962	14.1
146.02762	2.2
147.01126	1.1
147.04430	30.1
150.05557	1.7
159.01123	1.5
161.02705	2.6
166.03287	2.4
170.02718	61.3
171.03062	1.3
171.04453	1.4
177.02174	18.4
178.05057	1.3
184.04301	2.4
187.06023	14.5
188.03787	3.1
196.06021	2.6
198.02147	6.2
200.03780	1.2
212.03818	3.1
216.03262	34.1
219.03238	3.7
229.07048	11.2
230.04840	3.1
234.07704	1.4
247.08092	5.8
248.05937	5.3
249.04195	4.5
253.07059	2.1
258.04324	4.2
266.07104	2.3
271.08130	5.5
278.07135	2.0
279.05374	3.3
287.05759	2.5
289.09143	5.1
290.07101	1.2
291.05341	3.6
308.07993	19.1
321.06421	2.5
324.05286	1.9
326.06873	1.2
327.85831	1.0
328.08359	5.3
342.06198	1.8
351.07410	5.1
356.07986	3.4
364.10693	2.0
374.09064	43.7
392.10065	12.3
410.11163	47.2
574.15753	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	573.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.5
62.97781	1.5
67.05514	5.8
69.07055	3.7
71.08636	1.5
79.05497	5.9
81.07069	3.3
91.05501	4.3
93.07032	2.8
95.08615	3.1
96.09880	1.4
105.07049	1.9
107.08601	2.4
108.08121	3.8
121.10151	2.5
131.08617	1.9
132.27797	1.5
134.06036	2.9
137.92267	1.5
145.07603	1.7
152.31169	1.5
158.09653	3.7
159.09174	2.3
159.11627	1.7
171.09274	2.6
183.09213	4.2
184.09999	2.6
185.10786	2.3
187.08604	2.8
195.09189	2.8
196.10027	3.6
197.10786	6.8
198.11443	3.7
199.08643	3.7
199.12376	2.4
201.10265	1.5
209.10738	3.4
210.11449	7.3
211.08737	4.6
211.12407	5.5
212.09329	1.9
213.06638	1.8
213.10217	4.0
223.08784	3.2
223.12259	2.6
224.09439	8.3
225.10295	8.8
225.13864	13.8
226.10992	3.0
227.08122	8.6
227.11888	3.8
229.09433	1.4
230.11909	2.0
237.10324	7.6
238.11096	6.9
239.11819	18.6
240.12651	6.3
241.09703	8.7
241.13466	4.2
243.11397	1.9
251.11830	2.6
253.13365	52.6
255.11414	5.1
256.12100	1.9
259.14523	1.7
265.09799	1.7
265.13327	2.4
283.10858	4.1
287.10776	2.4
288.11560	5.9
288.14914	2.0
289.12088	1.5
290.13123	1.6
297.12375	2.9
301.12650	3.8
302.12973	17.1
302.16211	2.9
303.13675	9.4
304.14664	1.9
313.11963	1.5
314.13254	2.3
315.13394	11.4
316.14487	17.4
317.15222	18.4
318.12823	1.8
318.15967	9.5
328.11032	1.8
329.16498	2.5
330.12778	2.1
330.16141	9.6
331.16809	12.5
332.10327	5.4
332.13913	3.4
332.17557	30.3
343.12961	2.0
344.14008	2.5
344.17633	3.5
345.10922	2.3
346.12076	18.8
346.19122	40.7
347.12903	8.3
347.19922	27.5
348.20825	4.8
358.15598	12.6
359.12619	3.1
360.13422	21.5
361.14252	16.2
362.14932	15.2
372.17407	4.7
374.14935	4.9
374.18985	9.1
375.15756	25.3
376.16580	37.2
380.02328	1.7
390.18140	100.0
391.18924	42.7
392.19681	7.8
394.15579	2.3
435.18280	2.8
449.20108	2.5
453.19327	2.7
505.22784	2.9
511.27414	4.6
523.23480	4.7
523.49854	1.7
525.21198	3.7
529.20251	2.0
529.28149	31.9
537.25024	10.8
555.26056	86.1
556.26031	3.3
573.27136	73.5
573.48438	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	572.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10708	2.8
55.05520	29.1
57.07072	9.4
59.05013	35.0
61.02937	3.0
67.05495	8.5
69.03432	9.2
69.07068	48.5
69.76009	13.6
70.06599	5.1
70.53320	2.3
71.08632	6.6
72.08144	4.6
73.29771	3.0
77.06036	9.9
79.05493	7.4
81.03406	4.3
81.07052	15.2
83.04993	3.1
83.08636	28.0
84.04464	3.0
84.08138	3.2
85.02910	21.5
85.06496	3.2
85.10208	4.8
86.09705	3.3
87.04477	82.6
89.06039	52.5
91.05473	6.5
93.07063	7.7
95.08617	20.0
97.02895	3.5
97.10181	45.2
102.37675	2.7
103.03953	100.0
103.07610	16.6
105.07067	5.5
107.07079	8.7
107.08592	7.6
109.10149	10.6
111.11731	23.0
116.07076	2.9
117.07035	3.1
119.07069	3.8
119.08577	6.6
121.04961	7.1
121.10085	3.9
123.11704	3.9
123.59024	2.6
125.13223	4.0
127.03836	3.7
131.07031	9.1
133.08618	15.8
135.98508	2.4
145.10127	3.7
147.06528	7.9
151.09654	4.2
163.09668	55.8
165.07629	3.0
183.17407	5.4
184.07291	3.0
185.19016	8.8
191.09167	25.3
195.12379	3.2
209.10231	58.2
227.20079	5.6
229.21634	3.7
255.23328	3.5
273.24390	13.3
291.25391	6.4
329.73444	3.0
347.27908	7.8
375.27341	20.5
393.28519	92.5
508.21442	3.9
572.47656	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	572.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40845	13.9
55.05507	38.6
59.05001	12.3
67.05505	57.2
69.07069	49.8
71.50284	13.3
72.08155	24.7
79.05504	54.3
81.07067	100.0
83.08612	30.4
84.08140	20.3
85.02942	16.3
91.05479	43.3
92.05816	12.6
93.07055	80.4
93.44664	13.2
95.08609	84.9
97.10186	19.9
105.07037	46.4
107.08601	71.3
109.10158	54.5
119.08613	49.0
121.10139	38.9
123.11734	18.9
131.08603	14.9
133.10204	25.0
135.11707	26.3
145.10150	21.5
147.11676	22.1
149.13286	39.8
161.13303	20.2
163.14696	16.4
175.14857	16.4
215.17976	16.1
271.24026	21.8
469.33279	13.3
572.47565	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.1
55.05508	19.1
55.09220	3.7
57.07069	10.4
58.06593	3.6
59.04999	7.5
65.03925	5.4
67.05507	38.9
69.03426	8.4
69.07079	24.6
70.06593	21.9
70.90225	7.8
70.90572	6.4
72.08155	9.7
79.05508	35.8
81.03402	6.9
81.07059	100.0
83.08613	20.3
85.02892	10.0
87.00816	5.1
87.04474	14.8
89.06051	3.6
91.05463	29.9
93.07044	67.2
95.04969	4.5
95.08616	82.0
97.02858	8.4
97.10149	11.7
100.07604	6.2
104.07137	4.9
105.01870	7.9
105.07037	57.5
105.65873	3.5
107.08595	62.0
109.02840	5.2
109.10159	57.0
111.11691	4.5
116.07108	17.3
118.08675	39.6
119.08584	53.2
121.10148	49.8
123.11713	22.1
123.12469	3.5
127.03925	12.3
131.08597	16.2
133.10156	23.2
135.11710	24.9
137.13168	4.3
145.04974	7.2
145.10155	16.8
145.11166	3.8
147.11725	24.4
149.13258	29.3
157.10107	5.1
159.11703	24.0
161.13298	26.9
163.14815	18.3
173.13278	7.7
175.14827	16.0
177.16403	14.8
187.14815	7.5
189.16356	8.4
201.16412	15.3
203.17848	4.6
215.17937	14.1
231.05032	6.7
269.50439	3.4
271.24197	17.3
289.25305	4.7
347.65973	3.9
355.80585	4.2
572.28870	7.0
572.47260	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	572.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	17.1
55.01883	11.2
55.05507	26.0
57.03439	9.2
57.07077	7.9
59.05001	37.1
67.05503	76.3
69.03429	24.7
69.07068	34.6
70.06594	14.3
71.08594	20.7
72.08168	9.3
79.05480	34.8
80.28545	7.6
81.03406	25.4
81.07065	100.0
83.08624	18.1
85.02920	79.3
86.09695	7.2
87.00845	21.0
91.03958	8.8
91.05508	52.3
93.07050	76.1
95.05016	10.2
95.08612	90.7
97.02892	22.2
97.10172	21.9
99.04493	13.5
105.01883	19.7
105.07031	62.9
107.08607	78.7
109.02898	19.9
109.10177	54.1
117.07006	8.7
119.08604	61.6
121.10136	56.7
123.11710	22.5
127.03921	47.7
128.45163	7.3
129.01880	8.6
131.08496	11.0
133.10135	34.5
135.11717	27.6
145.04962	15.7
145.10155	25.9
147.11667	23.5
149.13292	34.5
157.10043	8.4
159.02849	15.4
159.11745	34.1
161.13287	31.5
163.14836	30.5
173.13278	11.0
175.14867	15.9
177.16385	7.6
187.14728	8.5
189.16451	17.9
200.20193	7.2
201.16336	14.6
210.59863	8.0
215.17941	24.0
229.19530	7.3
231.20917	7.5
271.24207	42.3
305.81042	7.3
337.96466	8.0
572.47437	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04997	1.3
53.03935	5.4
55.01857	2.4
55.05504	7.5
55.98088	1.8
56.05023	1.4
57.03428	2.0
58.06593	1.4
60.04517	1.6
67.05499	5.3
69.03441	11.1
69.06728	2.1
69.07073	19.9
70.06599	24.6
70.67561	3.4
70.67906	2.7
71.04995	5.1
72.08163	7.3
73.02946	2.3
73.06552	3.1
79.05502	28.5
80.05029	4.3
81.03428	12.0
81.07058	7.9
83.04992	46.1
84.04510	1.9
84.08141	6.3
85.02897	3.8
85.06535	1.9
86.09726	7.5
91.05497	13.4
93.07065	8.8
95.04980	10.4
95.08591	2.2
97.02907	3.1
97.06541	39.0
98.06070	20.0
99.04472	11.2
101.06038	3.0
105.07048	34.4
107.04958	9.0
107.08609	10.4
109.02901	4.9
109.06523	8.8
109.33633	1.6
110.07289	2.0
115.08685	2.6
116.07104	3.7
117.07037	8.0
118.08663	3.8
119.04980	2.0
119.08573	6.9
120.08150	7.1
121.06514	24.8
121.10101	1.7
124.07608	6.1
125.06010	100.0
128.06197	2.8
129.06990	3.9
129.10237	4.1
130.07771	3.2
131.08585	13.1
133.06509	4.2
133.10123	3.3
135.04414	1.8
135.08006	2.5
135.11740	2.2
136.07652	1.6
137.05998	3.0
142.08655	89.6
143.07056	45.3
143.08566	5.2
144.09337	3.2
145.06479	5.4
145.10141	59.1
147.08073	2.8
147.11684	2.2
151.07538	10.7
154.07758	3.1
155.08522	2.3
156.09332	1.4
158.07278	4.1
159.08051	6.9
159.11694	22.6
160.09709	45.8
163.07506	2.1
163.11171	9.5
169.10092	8.4
171.08076	1.6
171.11603	2.2
172.08858	2.9
173.09648	48.3
174.02090	1.7
177.12770	10.3
187.11212	45.2
189.12794	2.0
191.10681	17.9
197.09605	5.2
205.12263	42.4
205.14200	2.1
209.11760	5.8
213.12436	7.0
215.10695	45.6
232.09740	1.7
233.11752	35.9
250.10832	2.8
251.12796	12.4
304.13959	2.2
318.68405	1.5
322.15057	2.0
331.04022	1.5
336.50858	1.7
377.16177	1.9
395.17050	5.9
410.21902	2.6
413.18002	21.9
536.24933	2.1
554.26123	7.0
572.27002	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.4
53.03945	3.4
55.01871	2.7
55.05511	6.5
55.06146	1.1
56.05035	2.8
60.04522	1.2
65.03948	1.6
67.05508	5.3
68.05039	2.6
69.03424	11.7
69.07066	15.0
70.06596	29.1
71.04995	3.2
71.06951	1.6
71.50091	1.7
72.08159	14.8
73.06564	1.6
79.05493	34.3
80.05021	6.1
81.03419	9.4
81.07061	9.2
83.04981	36.3
84.04504	3.8
84.08149	10.4
85.02914	3.0
85.06552	3.1
86.09704	19.6
87.05619	1.3
91.05492	12.1
93.07039	10.8
95.04975	9.9
95.08643	3.2
97.02898	3.5
97.06526	30.6
98.06059	25.7
99.04461	9.3
101.06020	1.3
103.05444	2.0
105.07030	35.4
107.04967	9.2
107.08600	10.8
108.04529	1.4
109.02887	2.8
109.06522	8.1
109.10212	1.2
110.07160	1.9
111.04514	1.4
115.05464	1.6
115.08721	4.9
116.07134	3.5
117.07041	8.6
119.04939	3.0
119.08604	5.2
120.08084	7.8
121.06509	20.4
121.10141	2.5
123.08176	1.3
124.07567	6.2
125.05992	92.6
127.03928	2.5
129.07019	3.5
129.10258	6.2
129.38147	1.3
130.07802	5.6
131.08574	13.4
133.06506	4.9
133.10185	3.9
135.04494	2.1
135.08052	1.7
135.11734	2.8
137.06006	5.0
139.07579	1.6
140.07080	1.9
141.06989	2.6
142.08636	100.0
143.07063	33.4
143.08562	7.1
144.09369	4.2
145.06508	5.6
145.10126	65.4
147.04425	1.6
147.08076	2.5
147.11737	2.7
149.06021	1.7
149.09563	1.4
151.07518	9.1
154.07794	3.8
155.08539	1.5
157.10156	1.8
158.07268	4.4
159.08134	3.2
159.11703	28.7
160.09698	58.4
163.11174	10.9
167.07114	1.7
169.10092	6.5
171.11693	1.8
172.08896	3.9
173.09621	33.4
173.11021	2.1
177.12686	7.9
182.07275	1.8
187.11171	42.6
189.12816	1.8
191.10680	17.0
197.09680	5.0
199.18153	1.5
201.48714	1.2
205.12247	38.5
209.11807	5.7
213.12482	2.3
215.10667	40.2
216.09241	1.4
232.09705	2.6
233.11732	33.9
233.14079	2.0
250.10803	2.0
251.12805	12.1
269.13882	3.2
277.42862	1.2
304.14203	1.5
377.16156	1.3
395.17230	3.7
413.18155	4.6
518.23999	2.4
536.25012	3.2
554.26086	11.3
572.27057	58.3
585.76288	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	572.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.1
55.05503	2.6
55.24830	0.8
56.05041	1.0
57.98798	0.8
58.99586	18.1
60.93342	0.8
63.68693	0.8
67.05514	9.0
69.07070	8.4
69.87215	0.8
70.06595	2.4
71.50420	1.2
72.08131	1.0
76.02234	79.3
76.04003	2.9
79.05502	7.3
81.07056	8.0
83.04977	2.8
83.06118	2.5
83.08590	1.1
84.04510	15.7
84.08163	1.4
86.00632	0.9
86.09696	1.0
86.98591	0.8
86.99072	3.1
87.22959	0.7
88.02250	1.7
88.33163	0.9
91.05479	7.8
93.07063	7.6
95.04995	3.8
95.08616	6.6
97.06561	1.9
105.07043	8.4
107.04967	3.3
107.08604	6.3
108.52101	0.8
109.06506	2.6
109.10170	2.7
116.01693	22.9
117.07024	2.6
119.08600	5.5
121.06521	3.2
121.10172	4.7
123.08103	1.4
123.11739	0.8
129.06764	1.5
130.05006	7.1
131.08586	7.4
133.06476	0.7
133.10185	5.5
135.08067	3.2
135.11690	3.0
137.09688	1.7
141.04828	1.0
142.03230	6.0
143.08604	2.4
144.01157	14.1
145.06204	1.4
145.10139	8.2
147.08038	1.5
147.11702	1.4
149.09613	5.5
151.11185	3.4
155.08588	1.4
157.10219	2.0
159.11694	3.8
161.09669	1.9
161.13257	1.2
162.02214	44.5
163.11194	9.6
170.02711	2.4
173.09651	2.1
173.13301	1.4
175.11206	1.4
177.16306	0.9
179.04868	100.0
179.10690	4.1
185.13293	1.1
187.05411	3.1
187.11191	1.6
187.14755	1.3
189.12848	0.9
191.10684	1.8
201.16464	4.6
203.14307	1.1
205.12347	0.7
211.14767	1.4
215.04938	1.4
217.15779	1.5
219.17462	6.3
229.15860	3.8
233.05927	13.5
245.05893	4.0
245.15453	1.7
247.16957	11.5
256.09052	1.0
263.16470	6.0
265.18008	32.4
280.39166	0.8
291.06537	2.3
308.09155	23.7
320.50400	0.9
323.16754	1.1
340.19467	9.0
366.76248	0.8
416.80057	0.8
425.21063	6.6
497.23178	4.9
554.25140	1.8
572.26733	5.6
572.34308	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	572.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59713	1.2
55.05506	2.9
56.05024	1.5
56.19288	1.5
57.03434	2.4
60.04520	1.6
66.04790	1.3
69.03434	3.7
70.06596	25.1
71.06915	1.6
71.49474	1.3
72.08158	15.3
74.06054	1.5
79.05499	5.8
81.03413	7.3
81.07066	1.4
83.04974	2.3
84.04505	4.2
84.08147	12.7
85.02898	8.1
86.09694	7.0
87.05584	1.7
88.04012	1.3
89.03943	4.3
91.05490	2.2
95.04979	1.5
97.02881	3.3
97.06538	1.3
98.06042	9.1
100.07623	1.9
102.05556	2.3
107.04940	2.1
109.02896	1.7
111.45641	1.5
112.08640	1.4
115.08714	1.6
116.07093	3.2
117.03386	20.3
120.08107	8.8
122.03661	3.8
123.04447	2.9
124.07613	4.0
125.06009	16.4
129.10248	6.6
131.04922	2.0
134.03607	1.4
136.06203	14.2
136.07610	2.6
137.05988	79.2
142.08647	39.9
145.02858	59.8
149.06041	7.7
160.09692	18.4
161.06000	2.7
162.03232	6.1
163.03914	3.2
174.03023	1.5
175.03915	1.6
175.07561	1.3
177.05481	100.0
180.48022	1.2
191.07014	3.1
201.12450	1.8
203.07085	2.9
207.08189	1.3
219.06546	12.8
221.05841	1.3
224.08417	1.4
227.74927	1.3
230.11534	2.1
235.07553	2.1
244.09386	1.9
251.09172	63.3
265.08670	3.1
267.10239	1.6
277.08667	1.7
277.11768	1.5
285.11322	2.8
294.08832	1.7
297.11307	2.2
309.11093	6.2
315.12378	3.5
327.12350	8.2
332.59241	1.3
345.13336	23.7
345.17163	2.0
351.18640	1.2
413.14346	4.7
467.69183	1.7
521.20074	1.5
554.22540	4.8
572.23376	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.5
55.05517	0.5
56.05026	0.4
61.02922	1.1
67.99730	0.4
69.03423	1.5
70.02972	0.4
70.06603	6.3
72.08172	3.8
73.02930	0.5
74.06094	0.5
79.05534	0.7
81.03426	1.3
83.96970	0.4
84.04513	1.1
84.08150	3.7
85.02439	0.6
85.02917	6.8
86.09713	1.4
91.03947	0.7
91.05482	0.8
94.04203	1.9
97.02898	1.7
98.84267	0.4
99.04449	0.5
102.05538	0.5
103.05518	0.9
104.84162	0.5
107.04967	0.8
109.02907	0.7
109.06482	0.7
111.04456	0.5
112.45161	0.4
115.05434	0.7
119.05035	0.6
120.08139	1.0
121.06497	0.6
122.03669	4.7
123.04455	0.4
125.05997	1.0
127.03915	1.3
127.08773	0.4
129.10254	2.0
131.04944	1.3
131.60240	0.4
136.06194	1.7
136.07582	0.4
137.05991	100.0
138.06375	0.6
142.08635	0.5
143.04945	1.0
145.02866	1.2
145.05008	1.3
145.06537	0.4
147.04419	0.7
149.06004	1.5
151.03993	0.5
151.07584	1.1
160.09612	0.5
161.06013	2.8
163.03885	0.6
163.07559	1.0
164.88496	0.5
169.13345	0.9
175.07538	2.7
176.04785	0.6
177.05501	1.9
178.07733	0.4
179.07074	1.4
179.08505	0.8
191.07039	4.2
191.08592	0.6
193.06512	0.8
203.07066	1.6
207.08115	1.5
210.06677	0.4
221.06003	1.6
221.08125	1.2
222.06937	0.5
223.07596	0.5
224.08313	0.5
225.09126	1.5
233.06042	1.1
234.06764	1.0
235.07573	1.1
237.09097	1.4
238.06349	0.5
239.10678	0.8
241.08656	0.4
249.09186	1.9
251.06995	0.8
251.09233	0.7
252.07802	0.9
253.08646	2.3
255.10257	0.6
262.06345	0.5
265.08664	2.7
267.10172	3.3
269.08154	0.8
277.08612	2.6
279.06757	0.7
283.09784	0.6
284.10397	0.7
285.11221	3.5
294.08881	1.9
295.09662	1.7
297.11218	3.2
299.12915	0.8
309.11215	8.8
315.12329	4.7
316.57706	0.5
327.12299	10.2
339.12186	1.1
344.18430	0.9
345.13367	28.3
357.13345	0.6
498.60413	0.4
531.40076	0.4
572.23676	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.136
Annotation	Unknow
Peak:m/z	Relative Intensity
62.07506	1.3
64.10084	1.2
71.49550	1.7
82.99831	3.0
101.00880	14.6
109.02865	1.3
113.00866	3.7
115.02438	3.6
116.51524	1.3
119.01936	21.5
127.02438	3.8
129.00310	2.2
131.01917	9.7
133.03490	5.9
137.03012	1.5
143.00856	2.3
143.01909	30.5
143.03050	1.5
145.03485	12.6
147.01424	2.6
153.04073	1.3
155.01901	16.4
157.03473	7.9
161.02977	23.3
167.01932	13.7
168.99788	3.1
169.03476	4.8
171.01447	2.5
171.04988	2.4
173.02957	23.3
175.04616	2.4
179.01901	4.9
185.02957	37.4
187.00934	3.5
187.04488	2.8
189.02507	2.2
191.04062	2.9
193.25087	1.5
197.02977	17.6
199.00891	2.9
201.02406	3.8
203.04048	10.8
214.94279	1.2
215.00491	4.6
215.04013	8.6
217.01913	4.6
219.03561	2.8
221.05026	2.3
227.04025	10.2
228.92793	2.1
229.02031	2.5
231.03590	4.0
245.05096	100.0
246.05278	2.5
247.02927	2.7
257.05142	6.9
259.02979	2.0
263.06152	11.4
271.03076	3.3
275.02603	4.2
275.06134	14.0
288.93799	5.4
289.04126	10.1
293.07178	3.0
301.04156	3.5
305.07159	12.3
307.05142	9.8
319.04968	3.4
321.06845	1.6
331.05112	3.4
335.08295	6.1
349.06198	6.1
359.04529	3.6
361.06070	1.5
365.09378	16.2
373.06296	1.5
377.05667	3.4
381.54303	1.7
391.07080	4.4
409.08102	2.2
411.09558	1.6
447.50745	1.5
468.71738	1.2
498.18143	1.3
511.11368	3.3
539.10742	3.6
571.14008	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.8
57.03416	0.6
57.07077	34.5
58.31560	0.5
59.04997	4.0
65.76675	0.6
67.05497	2.1
69.07072	3.7
71.08634	28.5
73.06557	6.9
78.44360	0.6
79.05489	1.5
81.07040	2.3
83.08614	2.6
83.41332	0.7
85.10178	17.7
87.04472	5.7
89.06031	100.0
91.05474	0.7
91.07591	0.9
93.07027	1.5
95.08602	1.7
97.10164	3.5
99.11731	2.7
107.07074	2.0
109.10120	0.6
111.11723	3.7
113.13272	1.4
117.09132	5.5
119.08572	0.8
125.13293	1.5
127.14819	1.4
130.08640	1.6
131.07054	1.5
133.08603	53.6
135.10150	0.8
144.60954	0.6
161.11752	0.7
175.09711	1.0
177.11223	20.9
177.12698	1.3
183.21088	3.0
221.13763	4.0
227.23755	1.9
239.14949	1.1
265.16556	1.0
271.26309	6.0
283.17578	1.6
286.86392	0.6
315.28983	3.8
327.20181	1.3
371.22760	7.1
426.53821	0.6
549.46594	0.6
553.43207	6.2
570.43500	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.6
57.07081	54.2
58.08066	0.9
59.04986	1.7
67.05520	5.5
69.07072	9.2
70.90628	2.3
71.08636	53.4
73.06570	6.0
79.05495	5.8
81.07073	5.0
83.08621	4.9
85.10187	34.7
87.04493	5.7
89.06037	100.0
91.05478	2.7
93.07066	4.8
95.08591	2.4
96.08936	1.4
97.10191	3.2
99.11745	5.9
101.09996	1.0
105.07025	1.6
107.07081	2.0
107.08627	2.2
109.10136	2.0
111.11708	4.0
113.13282	7.1
117.09158	6.4
119.08575	1.8
121.10122	1.6
125.13273	2.4
127.14854	2.4
130.08638	2.1
131.07069	2.1
131.08607	1.0
133.08611	65.6
133.10127	1.7
161.11749	2.0
177.11238	26.0
183.21008	1.4
188.38033	0.9
200.28064	0.9
208.47571	1.0
221.13860	6.1
223.75108	1.1
227.23657	1.6
239.15048	1.5
265.16373	1.4
271.26303	2.4
283.17371	2.3
315.29028	4.9
327.20200	2.0
371.22733	11.6
553.42987	9.1
554.43658	1.1
570.42957	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	570.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.1
57.07079	60.8
59.05008	13.4
67.05506	2.1
69.07073	7.1
69.72998	6.8
71.08636	57.2
73.06561	12.3
74.44312	1.2
79.05480	1.3
81.07059	2.0
83.08621	4.9
85.10187	31.0
87.04474	19.4
88.05350	1.0
89.06037	98.3
91.07600	1.6
93.07039	2.6
95.08612	1.6
97.10146	5.1
99.11724	5.6
103.03951	100.0
103.07581	12.2
105.07032	1.9
107.07082	1.9
111.11695	4.8
113.13269	4.3
117.09147	6.9
119.07017	1.2
121.08603	1.5
121.10146	1.3
125.13242	1.6
127.14825	2.7
130.08650	1.6
131.07039	5.0
133.08614	44.5
147.06520	9.4
147.10162	7.4
161.11703	1.9
163.09686	2.2
169.19513	3.3
175.09650	2.2
177.11240	21.9
191.09137	5.3
207.12279	3.0
212.64891	1.2
213.22047	2.6
221.13831	3.9
235.11734	5.2
253.16417	2.8
257.24750	9.1
271.26398	2.7
301.27301	5.3
307.15698	1.2
315.28867	2.4
339.20239	1.6
341.13373	1.3
371.22733	4.5
385.20609	3.9
552.25079	1.3
553.42065	3.9
570.42853	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	570.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
59.11258	0.2
65.82602	0.2
70.06595	65.0
98.20731	0.6
105.07024	0.3
111.45325	0.2
116.07097	100.0
117.07454	0.4
145.98129	0.2
229.44574	0.2
233.55612	0.3
235.97946	0.2
252.95461	0.3
452.41895	0.3
566.40100	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43440	2.7
53.03938	6.8
55.05514	22.6
57.03428	3.8
57.07076	5.2
59.05000	3.5
60.48037	2.4
65.03953	6.6
67.05507	87.0
69.03416	4.1
69.07079	21.2
69.43512	5.4
69.43925	17.3
79.05077	4.5
79.05499	64.0
81.03417	2.7
81.07058	78.7
83.04972	9.1
83.08626	10.6
85.02930	3.6
89.06023	6.0
91.05485	74.3
93.07048	85.2
95.04977	13.3
95.08613	55.8
97.06550	7.5
97.10188	4.7
101.06033	9.7
103.05460	2.8
105.04527	3.0
105.07035	42.2
107.08606	43.3
109.06464	3.2
109.10168	18.6
111.08088	4.4
117.07034	19.0
117.36168	2.7
119.08581	38.6
121.10153	36.6
123.08055	6.2
123.11688	5.6
129.07028	9.2
131.08580	33.5
133.08609	4.7
133.10149	24.5
135.08124	3.1
135.11671	14.8
143.08578	10.2
145.10144	19.0
145.99950	2.5
147.11713	15.0
149.13263	8.3
157.10185	12.6
159.11688	9.1
161.13264	5.1
163.11224	3.7
169.10144	3.1
171.11737	7.9
173.13312	7.1
175.14839	5.4
183.11760	4.3
185.13281	4.4
187.14861	4.4
189.08563	2.7
189.16447	5.5
199.14899	10.0
217.15863	3.8
235.16969	8.0
261.22195	8.1
271.28842	2.8
284.26718	3.6
335.25970	2.8
390.41180	3.2
471.78241	2.8
477.37469	6.7
495.38809	2.9
551.40997	6.0
569.42035	100.0
569.57233	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	11.8
55.01871	8.6
55.05524	30.4
56.43699	4.5
57.03444	18.8
57.07072	12.1
59.05005	5.6
65.03938	9.6
67.05511	100.0
69.03439	38.4
69.07071	30.1
69.61836	26.2
70.06635	4.4
70.33031	4.4
71.01344	6.0
71.05006	60.8
71.08617	5.3
73.02931	13.1
75.04482	11.9
79.05505	60.7
79.14477	4.4
80.61852	4.6
81.03424	42.0
81.07068	94.0
83.04998	40.2
83.08625	26.8
85.02920	99.9
91.05492	56.5
93.07059	75.5
95.04955	30.4
95.08620	79.2
97.02921	16.1
97.06554	9.4
97.10161	8.9
98.62383	4.5
99.04483	14.4
103.03955	9.3
105.04500	5.4
105.07058	63.3
107.04942	8.4
107.08611	46.0
109.02882	24.5
109.06530	14.3
109.10175	41.3
111.04468	24.7
113.05986	5.8
117.07012	25.1
119.08607	35.7
121.06461	10.4
121.10153	37.0
123.04388	6.2
123.11708	9.3
125.02359	4.2
125.06004	7.3
126.51160	6.3
127.03918	24.6
129.05519	23.8
129.07010	13.1
131.08592	49.5
133.06535	7.7
133.10153	38.3
135.07988	8.5
135.11684	23.7
137.06006	6.3
137.09613	7.1
143.08594	19.5
145.10167	34.5
147.08052	6.6
147.11729	21.2
149.09653	9.1
149.13300	15.0
155.08612	6.5
157.10155	17.3
159.11705	33.5
161.13281	9.4
163.14839	10.0
169.10207	8.7
171.08043	7.5
171.11687	19.6
173.13284	16.9
175.14865	8.2
181.10156	5.7
183.11768	9.5
185.09695	6.6
185.13216	9.0
187.14894	9.6
189.12781	5.5
197.13254	7.7
199.14879	9.8
213.16460	6.4
221.15381	5.7
235.16792	5.7
239.18082	6.2
241.19650	7.9
259.20694	11.3
261.22174	20.7
273.22064	8.0
277.21500	7.7
291.23209	9.5
301.21704	9.2
303.23306	10.1
311.29434	5.6
313.21552	6.8
315.23138	7.5
340.29868	4.8
341.24887	5.3
351.23141	7.7
353.25113	9.6
369.24255	11.0
371.25775	23.9
385.23712	5.7
387.25262	18.0
389.27173	7.6
405.26279	6.9
423.27512	5.4
489.28317	7.5
515.30011	13.5
533.31171	11.0
551.32135	7.5
569.26758	8.8
569.42096	26.9
569.56531	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	568.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.1
57.07080	40.8
57.94401	1.2
59.05005	100.0
60.61712	1.0
67.05495	4.1
67.13773	1.0
69.07074	7.2
70.06585	1.2
71.00468	1.2
71.08636	34.9
73.06573	9.2
78.26153	1.2
79.05486	4.4
80.02029	1.3
81.07068	6.1
83.08613	6.8
85.10189	23.7
87.04464	2.8
88.07648	2.3
89.06038	43.5
91.05477	2.8
92.05813	1.2
93.07061	2.6
95.08614	3.8
97.10178	6.6
98.20741	3.1
99.11728	3.2
102.09189	1.4
103.07587	88.4
105.07043	2.4
107.07030	2.0
107.08618	1.5
109.10140	2.2
111.11718	4.2
113.13282	1.8
117.09149	6.4
119.08589	5.4
120.08912	1.7
121.08642	1.4
121.10155	2.8
131.08630	1.9
133.08597	15.0
133.10152	2.2
135.11710	1.2
141.16360	1.5
143.38838	1.1
145.10164	3.4
146.10664	1.1
147.10173	32.1
153.92273	1.1
157.10149	1.8
159.11781	1.2
161.11690	1.9
170.96286	1.1
177.11235	7.9
191.12761	2.0
211.24243	2.9
221.13635	1.3
255.26810	2.5
284.29495	4.5
299.29367	5.0
311.29535	3.0
341.21667	8.6
343.32227	2.8
534.40973	1.3
551.45111	2.6
568.47388	13.5
568.56635	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	568.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45331	0.5
55.05503	3.0
57.07077	35.2
59.04709	0.9
59.05002	16.4
67.05505	1.0
69.03401	0.5
69.07076	3.9
71.08633	30.2
73.02953	0.7
73.06557	6.8
77.06046	0.8
79.05496	0.8
81.07052	1.6
83.08624	5.3
85.10184	20.9
85.52908	0.4
87.03933	1.0
87.04471	18.6
88.07618	0.7
89.06033	45.6
95.08597	1.0
97.10174	6.7
98.21511	1.7
98.22092	0.5
99.11720	2.5
101.00355	0.5
103.03944	100.0
103.07579	20.5
105.07001	0.7
107.07082	2.0
107.08633	0.8
109.40417	0.5
111.11703	3.2
113.13281	1.4
117.09142	4.2
119.07037	2.3
119.08531	0.5
121.08643	2.3
125.13297	1.3
127.14865	1.7
130.08630	0.9
131.07057	5.8
133.08603	15.8
133.10135	0.8
135.10255	0.5
138.72780	0.5
141.16434	1.2
147.06523	10.4
147.10170	8.3
155.17935	1.1
157.10094	0.5
161.11749	0.4
163.09676	2.5
175.09610	2.7
177.11212	4.3
189.18399	0.5
191.09177	4.5
191.12834	0.9
207.12292	4.4
209.13771	3.2
211.24190	1.9
219.12291	1.4
221.13901	1.8
235.11743	6.1
235.13898	0.6
239.14935	0.9
251.14781	0.7
253.12819	0.8
255.26894	1.8
269.32440	0.5
279.14502	0.9
295.17517	4.9
297.15588	0.5
299.29486	7.1
311.29257	0.9
313.18515	1.2
323.17081	1.3
341.18051	5.4
343.31934	3.2
475.12204	0.5
508.37595	0.6
550.42310	0.5
551.41351	3.0
568.26117	0.6
568.44232	2.3
568.56744	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	568.428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.7
55.05515	11.6
57.07082	7.7
58.14520	1.0
59.05015	1.8
65.03919	2.1
65.80890	1.2
67.05510	17.4
69.03426	2.9
69.07070	9.5
71.04981	1.2
71.08641	2.0
78.04717	1.1
79.05493	22.8
80.06274	3.6
81.06587	2.0
81.07063	32.5
83.04990	3.1
83.08617	5.7
85.06546	3.6
85.46638	1.1
89.06031	1.5
91.04909	1.7
91.05487	44.7
92.06260	2.8
93.07050	46.3
93.07644	2.2
94.07836	2.1
95.04977	38.0
95.08614	28.0
97.06520	2.0
97.10129	1.2
99.08067	1.3
103.05469	4.0
105.04559	1.6
105.07039	82.0
106.07827	4.4
107.08599	41.2
109.06521	4.2
109.09475	1.7
109.10161	19.9
111.08096	1.3
115.05414	5.3
116.06221	1.6
117.07030	25.9
118.07796	3.6
119.08589	100.0
120.09412	9.5
121.06516	3.1
121.10149	30.8
123.08070	14.5
123.11742	5.4
125.09618	2.3
128.06210	9.4
129.07005	17.8
130.07822	8.4
131.08580	48.1
132.09372	10.4
133.06570	1.1
133.10138	54.8
134.10954	6.2
135.08083	6.7
135.11699	16.9
137.09630	7.8
138.10378	7.3
139.11145	1.2
141.06993	5.7
142.07800	15.9
143.08575	46.5
143.09706	2.4
144.09363	15.0
145.10129	81.9
146.10947	6.5
147.08058	2.5
147.11700	24.0
148.12500	1.1
149.09634	6.3
149.13243	3.4
151.11205	2.7
153.07022	2.9
154.07806	2.9
155.08563	16.4
156.09360	15.3
157.10141	44.6
158.10918	12.5
159.08115	2.4
159.11702	41.1
160.12495	3.6
161.09628	6.2
161.13278	6.7
163.11203	3.8
163.14847	1.4
165.07045	4.3
165.12804	1.1
166.07835	1.6
167.08557	9.4
168.09354	6.6
169.10129	27.1
170.10921	7.8
171.11697	35.0
172.12502	6.8
173.09708	2.0
173.13268	26.7
174.14014	2.0
175.11304	1.7
175.14844	19.3
177.12755	5.0
179.08568	10.6
180.09315	5.9
181.10144	16.7
182.10880	8.1
183.11700	27.6
184.12471	5.1
185.13272	24.5
186.14056	7.0
187.11136	1.2
187.14822	15.3
189.12718	2.9
191.14313	9.9
192.09340	4.2
193.10112	8.8
193.15959	1.7
194.10863	8.2
195.11717	17.2
196.12535	10.0
197.13269	27.6
198.13974	4.9
199.14803	8.5
200.15591	1.8
201.12730	4.0
201.16412	7.3
203.14301	3.2
205.10139	1.1
205.15843	2.6
206.10973	3.4
207.11708	11.1
208.12523	4.0
209.13263	24.8
210.14069	2.3
211.14821	16.8
212.15529	1.0
213.12726	1.6
213.16457	5.7
215.14392	1.3
217.15941	6.1
218.16675	1.8
219.11697	2.6
219.17459	3.0
220.12546	3.6
221.13266	8.8
222.14148	2.9
223.14848	11.8
224.15588	3.9
225.16458	7.1
226.17244	2.5
227.14398	2.3
227.18027	2.2
229.15996	1.4
229.42365	1.3
230.16560	1.2
231.17404	1.8
232.12492	1.3
233.13231	3.0
235.14783	6.4
236.15601	1.6
237.16377	7.2
238.17223	1.8
239.17870	5.0
241.19444	3.5
244.12405	1.3
246.14098	1.0
247.14824	3.0
248.15657	1.1
249.16394	3.6
251.17944	2.5
253.15710	1.2
253.19572	1.8
255.17523	2.4
257.19061	2.5
259.20633	2.5
260.15656	1.3
261.16501	2.6
263.17981	5.3
264.18817	1.6
265.19519	4.6
267.21036	2.2
270.19858	1.4
271.20630	1.6
273.16156	1.2
275.17984	3.2
277.19559	2.8
278.20508	1.1
279.21078	2.2
283.20596	2.8
284.29416	1.6
285.22156	2.5
287.17950	1.3
289.19684	1.2
291.21008	1.3
296.21439	1.4
297.22180	3.9
305.22644	2.2
309.22372	1.3
320.25058	1.9
323.23712	5.1
337.25287	1.9
338.26028	39.1
351.27139	2.0
415.29733	2.2
420.30179	2.5
429.31573	1.4
430.32312	13.8
457.47806	1.0
458.35083	1.6
476.36462	13.7
568.42902	24.4
568.56006	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	567.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.4
55.05513	20.3
57.07066	8.8
59.04964	7.9
65.03933	3.7
67.05502	29.4
69.03420	5.2
69.07063	24.2
69.39815	27.8
70.06578	14.0
71.04993	3.3
79.05494	30.5
81.07058	52.7
83.04993	3.7
83.08614	10.6
91.05486	54.6
93.07052	67.5
95.04969	15.5
95.08604	45.9
97.06467	4.5
97.10172	3.7
98.21494	6.4
103.05486	4.0
105.07037	85.2
107.08596	82.3
109.06521	10.7
109.10159	42.0
116.07089	22.9
117.07025	20.5
119.08585	90.1
121.06565	5.4
121.10156	84.5
121.11030	4.5
123.08044	6.8
123.11716	23.7
128.06198	8.5
129.07024	15.9
130.07790	6.7
131.08559	41.4
133.10132	100.0
135.08047	9.3
135.11694	50.4
137.09631	10.8
137.13231	3.8
139.11145	6.4
141.07024	6.8
142.07739	13.3
143.08569	32.4
144.09276	5.5
145.10130	76.1
147.08086	4.1
147.11693	34.5
149.09610	5.9
149.13249	9.6
151.11174	6.5
155.08514	13.3
156.09352	18.4
157.10121	59.6
158.10941	4.9
159.11703	33.0
161.09644	8.9
161.13222	17.3
163.11177	6.0
163.14821	3.7
165.07040	6.0
167.08539	10.4
168.09270	3.5
169.10130	27.3
170.10817	6.4
171.11682	36.2
173.09607	5.0
173.13269	27.0
175.14830	38.7
179.08557	10.8
180.09338	5.4
181.10127	14.9
182.11015	5.3
183.11676	27.5
184.12514	4.4
185.13269	24.1
187.14809	25.8
189.12758	5.6
189.16411	4.7
192.09410	5.9
193.10078	13.1
194.10934	5.9
195.11655	23.3
196.12433	5.2
197.13295	21.5
199.11252	5.1
199.14850	14.4
201.16391	17.7
207.11685	12.8
208.12494	6.1
209.13284	28.5
210.13991	3.9
211.11217	4.1
211.14838	18.6
213.16364	9.7
217.10071	4.7
219.11736	8.1
220.12440	8.2
221.13129	16.7
222.13873	4.2
223.14787	15.3
225.12744	6.3
225.16420	7.9
227.14320	3.6
231.11700	4.5
233.13277	8.6
235.14796	12.7
237.16420	9.5
239.14310	5.6
239.17899	6.2
241.19539	8.1
245.13249	8.4
246.14009	4.4
247.14894	9.4
249.16406	7.5
251.14270	4.6
251.18062	5.7
257.13162	4.6
257.18851	5.0
259.14932	8.1
261.16449	9.9
263.18002	7.9
265.19574	6.9
267.21060	7.9
273.16431	4.2
275.18024	7.2
279.21057	3.6
283.20514	6.9
289.19440	4.4
291.20956	5.5
343.24094	5.3
361.25342	5.5
373.25290	5.8
375.26550	3.8
381.81018	3.3
411.30142	6.4
413.28473	6.0
427.30115	7.8
429.31479	9.0
445.31189	3.7
537.98608	3.7
549.40521	28.7
567.41870	69.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.0239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33495	1.0
56.17233	1.1
69.22630	3.4
69.23053	6.6
196.18623	1.0
216.99008	2.1
217.89558	1.1
222.97891	1.7
235.00069	5.7
240.98967	8.2
256.96875	1.8
259.00009	33.5
260.00143	2.4
261.00143	2.2
261.03046	2.0
264.99164	3.0
277.01053	16.7
278.01141	1.3
283.00003	98.6
284.00064	7.1
285.00107	3.3
298.97839	1.7
301.01068	100.0
302.01245	7.8
303.01105	2.8
316.95834	2.4
316.99112	2.1
318.98935	1.9
319.02402	4.1
353.93027	1.3
356.93689	2.0
359.00519	1.7
383.00226	2.9
398.95139	3.5
401.01114	11.9
407.00467	4.5
425.01233	36.6
426.01468	2.3
443.02399	55.1
444.02335	5.3
445.02475	1.7
458.97156	1.6
460.99570	2.1
466.04208	2.4
500.98260	6.0
524.99945	2.2
542.99664	3.5
549.01312	36.9
550.01361	2.8
567.02484	55.0
568.02838	3.2
585.00574	6.8
590.03815	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	565.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.2
55.05517	14.6
57.07074	9.0
59.04996	3.4
62.80210	1.5
65.03961	3.4
67.05505	22.1
69.03414	6.4
69.07064	12.8
69.85302	9.4
71.08629	1.9
73.06545	2.4
79.05499	20.3
81.03429	2.8
81.07065	26.4
83.04983	3.6
83.08624	6.9
85.06567	3.4
85.10169	1.8
87.04491	3.0
89.06044	6.4
91.05485	33.8
93.07048	40.6
95.04975	9.2
95.08623	30.6
97.06519	3.8
97.10184	3.4
98.20842	2.4
103.03949	5.8
103.05465	2.6
105.07040	61.2
107.07893	2.0
107.08610	35.1
109.06551	5.1
109.10166	17.6
111.08108	3.6
115.05453	4.1
117.07020	12.9
119.06161	1.8
119.08591	55.3
121.10157	44.7
121.76036	1.6
123.04490	1.7
123.08047	9.9
123.11726	7.2
125.06026	4.8
128.06177	8.7
129.07016	12.3
130.07797	3.4
131.08583	23.1
133.06552	2.6
133.08582	4.3
133.10133	34.3
135.08067	9.9
135.11705	16.1
137.09633	5.6
141.07011	7.4
142.07788	16.1
143.08577	26.0
144.09398	5.1
145.06566	2.4
145.10136	39.3
147.08069	9.7
147.11711	12.1
147.81810	1.7
149.09621	2.9
149.13281	2.3
151.07574	6.2
153.06964	4.1
154.07802	2.5
155.08617	12.2
156.09392	15.1
157.10135	35.9
157.11327	3.0
158.10965	5.6
159.08069	3.2
159.11690	20.4
161.09663	2.2
161.13300	7.0
163.11148	3.4
163.14981	1.9
165.07004	5.4
165.09091	16.6
166.07866	3.9
167.08638	8.0
167.10712	5.5
168.09372	4.6
169.10147	19.3
170.10962	5.2
171.11699	20.5
173.09679	3.5
173.13274	17.1
175.11214	2.5
175.14906	6.6
179.08556	10.9
180.09476	4.3
181.10136	10.0
181.12283	3.7
182.10945	7.8
183.11739	15.3
184.12508	2.1
185.13266	13.0
187.14857	6.6
188.53474	1.6
189.12781	2.9
191.08565	2.0
192.09412	4.2
193.10106	15.2
194.10959	7.5
195.11716	16.0
196.12416	2.8
197.13284	14.4
199.11267	2.0
199.14828	9.4
201.16341	3.8
203.14404	8.0
204.09360	2.5
205.10197	4.0
206.10971	7.1
207.11758	11.5
207.13676	3.8
208.12518	7.4
209.13300	16.7
210.14072	3.0
211.14857	11.3
213.16446	4.1
215.14345	1.8
216.09360	2.3
217.10178	3.0
218.11028	2.2
218.76100	1.9
219.11804	6.4
220.12517	5.9
221.13304	12.9
221.15440	33.1
222.14040	2.2
223.14740	8.2
225.16423	5.4
230.10960	2.2
231.11739	5.2
232.12483	3.0
233.13312	7.0
233.15468	3.3
234.14008	3.3
235.14980	8.9
237.16472	6.1
239.17995	5.4
243.11652	2.7
245.13332	6.9
246.14008	3.7
247.14880	9.7
248.15526	2.9
249.16489	3.7
251.17998	3.6
253.19704	3.4
257.19012	2.2
259.14874	6.0
260.15488	2.2
261.16498	6.4
263.17941	4.7
265.19617	8.0
270.14154	2.9
271.14807	2.9
273.16412	2.4
275.18039	4.6
277.16202	1.9
277.19531	4.4
279.21198	4.3
282.28046	3.0
283.15009	2.7
285.16354	2.6
287.17792	2.2
289.19321	2.6
301.19571	3.8
310.31180	2.2
311.17886	1.9
315.21326	2.2
317.22513	2.6
317.86359	1.8
331.24484	3.4
345.22134	2.4
357.25909	3.9
385.29123	5.0
473.34232	10.4
485.34280	4.2
509.34476	2.2
547.39563	10.3
565.40503	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.2
55.05515	15.0
57.07087	10.4
59.04974	2.4
65.03934	6.5
66.74847	2.2
67.05177	3.4
67.05509	41.9
69.03429	4.2
69.07076	20.9
69.34561	7.4
69.34982	9.1
79.05497	30.3
81.06602	3.0
81.07066	45.9
81.77213	1.8
83.08630	10.2
85.06496	2.2
86.27265	1.9
89.86594	1.9
91.05490	49.0
93.07052	51.9
95.04948	6.9
95.08055	3.5
95.08614	42.4
97.06557	2.7
97.10166	2.9
101.18288	1.8
103.05470	5.5
105.06323	4.9
105.07042	96.2
107.04910	2.3
107.08604	57.8
109.06518	7.8
109.09476	3.5
109.10168	50.9
115.05456	5.1
116.06215	1.9
117.07036	24.0
119.08591	100.0
119.64769	2.0
121.02734	1.9
121.06503	3.7
121.10153	74.7
123.08052	7.5
123.11737	15.8
125.09632	2.2
128.06233	11.3
129.07008	17.9
130.07799	6.4
131.08571	46.6
132.09354	2.1
133.06609	2.1
133.07620	3.2
133.10153	58.3
135.08052	7.2
135.11705	34.1
137.09576	2.8
139.11075	2.4
139.62036	1.8
141.06987	10.2
142.07794	28.1
143.08586	36.5
144.09375	5.4
145.10135	62.8
147.08046	3.0
147.11699	22.8
148.30106	1.8
149.09627	3.1
149.13193	2.2
153.07024	4.8
154.07761	3.8
155.08568	19.6
156.09378	17.2
157.10147	71.3
158.10886	7.8
159.08067	6.6
159.11707	35.0
161.09586	4.3
161.13269	11.0
165.07011	6.5
166.07759	2.1
167.08627	10.2
167.10732	10.5
168.09384	10.5
169.10158	30.9
170.10863	5.7
171.11697	27.2
172.12460	2.5
173.09608	8.5
173.13292	21.9
175.11198	3.5
175.14854	37.5
177.12779	2.7
178.07774	5.2
179.08656	9.8
180.09332	5.2
181.10115	17.4
182.10953	11.9
183.11722	33.6
184.12491	3.0
185.09625	3.5
185.13307	15.0
187.11194	3.0
187.14836	11.7
189.12755	4.7
192.09328	6.1
193.10094	17.3
194.10878	8.2
195.11720	23.3
196.12427	8.8
197.09517	2.4
197.13274	39.0
198.14059	3.9
199.11214	11.7
199.14845	9.0
200.46275	2.2
201.12755	5.4
201.16434	11.9
203.14293	2.1
205.10152	4.0
206.10931	7.6
207.11749	15.4
208.12488	6.4
209.13246	16.2
210.10400	3.4
211.11320	5.2
211.14890	8.9
213.12695	4.4
213.16434	7.3
215.08540	2.2
215.14291	7.3
217.10077	2.4
219.11630	6.7
220.12561	4.2
221.13239	14.7
222.13954	3.1
223.11314	2.8
223.14836	21.3
225.12755	6.3
225.16257	2.6
227.14314	3.6
227.17964	2.7
231.11674	4.1
232.12483	3.7
233.13268	6.3
233.15422	5.5
234.14133	3.8
235.14844	8.8
237.12823	5.0
237.16394	5.9
239.17975	9.7
241.15860	7.3
243.11670	3.6
245.13304	6.9
246.14073	4.4
247.14755	7.5
248.15573	2.8
249.12758	2.7
249.16452	4.7
251.14265	2.5
251.18045	3.8
253.19463	2.8
257.13135	3.1
259.14774	4.2
261.16501	3.2
263.18021	4.4
270.13791	2.6
271.14752	2.9
273.15897	3.3
273.18536	42.2
275.14325	2.5
275.17941	2.9
277.15860	4.0
279.21133	8.3
281.19046	6.7
282.27966	2.7
289.19211	2.3
291.20963	2.6
299.20126	49.3
313.21567	4.2
325.21649	3.5
333.22079	3.0
343.24313	3.9
351.23077	4.5
363.23282	5.9
367.25360	2.3
375.23093	3.8
389.24799	2.6
405.28775	2.1
443.29492	3.6
444.29926	5.4
467.37183	3.3
473.34015	7.3
509.33533	3.0
547.38849	3.8
565.40479	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26606	2.6
55.05510	13.4
57.07067	10.1
65.03938	6.2
67.05508	32.4
69.03442	3.6
69.07068	27.2
71.51204	3.9
79.05498	29.6
81.07069	50.0
83.04987	3.8
83.08620	10.9
87.41302	2.4
91.05487	50.7
93.07050	56.4
95.04972	7.3
95.08613	34.0
97.06561	3.5
103.05482	8.3
105.07037	93.7
107.08607	52.1
107.18990	2.7
109.06482	5.5
109.10164	47.9
111.11730	3.3
115.05495	5.5
115.82838	3.1
117.07035	20.5
119.04929	2.8
119.08589	100.0
121.06534	3.1
121.09326	5.6
121.10151	73.3
123.08079	7.3
123.11713	12.9
128.06224	11.5
129.07021	15.5
130.07773	8.5
131.08562	39.8
133.06520	6.2
133.10149	53.0
135.08083	6.2
135.11690	29.7
141.07011	8.3
142.07777	19.5
143.08582	36.9
144.09332	6.0
145.10132	92.1
147.08037	8.9
147.11702	24.2
149.09653	7.9
149.13245	5.2
153.07057	4.4
154.07794	4.2
155.08548	18.9
156.09341	12.0
157.10130	52.4
158.10927	4.6
159.08072	13.3
159.11713	26.8
161.09604	4.5
161.13269	11.0
163.11220	5.1
165.06964	7.3
165.09120	3.6
167.08534	8.8
167.10686	26.1
168.09358	9.2
169.10129	28.9
170.10905	4.6
171.11697	30.1
173.09648	5.5
173.13242	20.5
175.14867	25.8
177.09138	3.2
179.08543	14.7
180.09401	8.5
181.10149	15.0
182.10886	16.9
183.11644	24.1
185.09598	6.3
185.11853	3.0
185.13248	18.7
187.11185	3.4
187.14795	15.0
189.12758	8.1
189.16412	3.3
189.77722	4.3
192.09447	3.9
193.10063	15.6
194.10963	12.6
195.11752	20.9
196.12453	4.9
197.13255	35.1
199.11172	8.1
199.14825	11.3
201.16374	6.2
205.10190	3.3
206.10948	7.0
207.11699	8.6
208.12405	9.0
209.13281	23.6
210.14049	3.7
211.14856	13.8
213.16418	6.5
215.14278	7.7
217.10109	3.6
219.11670	8.0
220.12489	4.5
221.13261	15.3
221.15395	9.5
223.14798	20.0
225.12762	5.5
225.16438	4.8
231.11871	3.8
233.13278	6.2
233.15355	54.2
235.14896	11.0
237.16394	7.3
239.18030	5.3
245.13223	6.4
246.14148	3.5
247.14803	5.4
249.16490	4.9
253.19417	5.1
259.14740	5.5
261.16333	3.9
263.18036	5.7
267.21082	4.4
271.14944	3.1
273.18515	13.0
275.18015	7.3
282.27960	10.4
289.19473	4.4
294.45203	3.0
299.20126	22.8
310.31070	4.2
311.20044	9.7
343.24185	3.1
345.25833	16.5
351.23230	5.2
363.23318	3.2
405.28119	4.5
443.29562	17.4
473.34064	10.0
509.34006	5.5
547.39355	5.7
565.40356	76.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.4
55.05516	10.0
57.07073	8.6
61.75016	1.7
65.03944	3.0
67.05510	24.0
69.03429	2.5
69.07069	16.0
71.08637	2.1
71.11777	4.2
71.52077	1.7
79.05496	25.4
81.07063	38.3
83.05003	2.7
83.08642	6.8
91.05486	38.8
91.06020	3.6
93.07051	53.5
95.04963	6.4
95.08611	40.0
97.06525	3.5
97.10154	2.0
103.05518	3.9
105.07036	76.8
107.04947	2.1
107.08601	41.8
109.06522	5.4
109.10168	43.4
115.05471	6.6
116.06259	2.3
117.07021	14.5
119.04929	3.2
119.08585	100.0
121.06519	2.5
121.10153	67.6
123.08075	5.4
123.11722	15.3
128.06250	8.1
129.06969	13.4
130.07788	10.4
131.08578	32.8
133.06500	6.6
133.07532	2.4
133.10143	41.2
135.08070	4.7
135.11700	27.0
137.09648	2.9
141.06995	4.2
142.07784	19.7
143.08572	30.4
144.09341	5.4
145.10133	78.8
147.11717	17.0
149.09663	8.4
149.13274	5.3
153.06998	2.3
154.07790	3.3
154.86116	1.9
155.08525	16.6
156.09340	17.7
157.01675	1.8
157.10133	50.8
157.11314	3.3
158.10928	4.8
159.08044	10.4
159.11697	22.2
161.09686	4.6
161.13274	10.1
163.11212	1.7
165.07008	4.3
166.07748	4.1
167.08626	10.7
167.10677	19.4
168.09343	4.0
169.10133	27.3
170.10934	5.9
171.08018	2.5
171.11697	27.4
172.12436	3.9
173.09625	8.3
173.13254	22.9
175.11220	2.9
175.14841	22.0
179.08551	14.0
180.09410	4.4
181.10103	16.1
182.10945	17.5
183.08197	2.7
183.11700	24.8
185.09587	3.0
185.13330	12.6
187.11232	3.9
187.14816	10.5
189.12790	7.5
192.09369	4.9
193.10152	10.4
194.10930	9.7
195.11635	17.7
196.12566	5.4
197.13237	26.9
198.14066	2.2
199.11249	8.5
199.14880	5.1
200.11984	3.0
201.16426	6.7
205.10172	3.4
206.10982	4.1
207.11667	12.9
208.12505	7.4
209.13264	22.8
211.11327	2.9
211.14803	9.8
213.12784	2.4
213.16435	8.3
215.14355	9.0
219.11736	3.9
220.12527	2.3
221.13306	7.7
222.14026	3.7
223.11362	2.9
223.14819	25.3
225.12842	5.4
225.16452	4.4
227.18069	2.4
230.10829	2.4
231.11804	2.7
232.12531	2.5
233.13271	5.6
233.15370	57.8
235.14915	5.6
236.15598	2.2
237.16351	4.3
239.18008	3.8
243.11671	2.8
245.13316	4.3
247.14777	4.6
247.17009	2.0
251.14352	3.5
251.17964	4.3
253.19682	3.3
255.17552	2.9
257.13358	2.2
259.14694	2.8
259.17160	3.2
261.16559	5.5
263.17944	2.7
265.16153	1.9
265.19498	2.8
267.21237	7.0
273.16327	2.1
273.18658	16.0
275.17969	5.2
277.16147	2.0
277.19449	2.8
279.21194	3.1
282.27975	2.6
287.20337	3.3
289.19537	3.9
299.20117	26.5
303.21356	2.4
305.19101	2.1
305.22586	3.5
311.20129	9.0
319.24390	2.6
325.22330	1.8
331.24524	2.9
345.25784	19.4
349.21609	2.4
350.79791	1.8
351.23468	4.3
363.23477	5.0
365.24597	3.4
375.23526	2.7
377.24854	3.2
405.27982	4.1
443.29562	17.6
473.34167	4.2
509.34488	2.8
547.39478	2.9
565.40491	73.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.7
55.05505	13.5
57.07063	9.7
57.87086	4.1
67.05506	41.2
69.03462	4.1
69.07079	25.8
71.05003	4.2
71.51463	9.1
79.05497	26.8
81.07057	56.5
83.08604	8.3
85.13511	5.0
91.04976	5.7
91.05490	57.1
93.07050	62.1
95.04955	4.7
95.08615	50.8
99.88859	4.1
102.85620	5.2
103.05479	4.8
105.07033	99.8
105.28157	4.1
107.08595	59.7
108.28449	3.9
109.10160	50.4
112.44751	5.1
117.07001	21.1
119.07805	8.4
119.08591	100.0
121.10164	73.7
123.08070	5.2
123.11710	17.7
128.06189	9.9
129.06999	16.7
130.07785	13.9
131.08566	41.4
133.06470	8.0
133.10147	52.6
135.11662	35.7
141.06990	5.8
142.07755	21.8
143.08565	42.7
145.10130	96.5
147.11687	23.8
149.09569	9.9
149.13248	6.2
155.08553	13.9
156.09380	21.5
157.10143	50.1
158.10983	5.4
159.08047	11.3
159.11670	31.7
161.13219	7.1
165.07013	7.4
167.08598	13.9
167.10664	29.5
169.10124	32.2
170.10873	5.9
171.11732	34.9
173.09685	9.7
173.13268	26.8
174.10471	5.5
175.11226	5.9
175.13434	4.3
175.14735	22.9
179.08543	11.9
180.09308	6.4
181.10107	25.8
182.10916	22.0
183.11707	31.7
185.13295	16.9
187.14827	12.3
189.12764	7.7
189.16472	5.1
193.10159	12.7
194.10959	8.8
195.11633	17.2
196.12495	7.6
197.13278	34.3
199.11150	8.2
199.14804	11.1
201.16414	5.2
206.10844	6.0
207.11729	18.7
208.12363	7.7
209.13281	22.3
211.14806	9.6
213.12766	4.8
213.16428	6.2
215.14363	9.0
219.11731	11.2
221.13228	13.3
223.14819	23.7
225.12833	8.3
225.16296	5.9
233.13287	7.0
233.15350	71.8
235.14818	9.5
249.16615	5.4
251.14308	6.8
251.17854	6.8
259.14566	7.1
261.16339	7.6
267.21182	11.8
273.18488	17.4
299.20065	34.2
310.31128	5.0
311.19904	9.7
337.21317	4.7
345.25769	18.8
351.23138	6.4
363.22818	6.7
425.28070	6.0
443.29324	22.0
467.37210	7.1
509.33719	9.1
565.40460	85.8
566.40210	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	564.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.3
55.05503	0.4
56.05039	4.3
60.04514	0.5
60.52581	0.4
67.05492	1.1
68.05398	0.3
69.03420	0.5
69.07054	0.5
69.30830	2.8
70.06256	0.5
70.06600	5.3
70.45064	0.3
72.07874	0.3
72.08161	3.1
77.05947	0.4
77.41294	0.3
79.05491	0.7
81.03434	0.5
81.07030	0.4
82.06564	0.7
84.04507	1.3
84.08149	45.0
85.02927	0.3
86.09713	24.9
87.05579	0.4
88.03993	1.9
91.05467	1.7
93.07059	1.9
95.04947	0.5
97.06514	0.6
98.06070	3.0
101.10783	1.7
103.05491	4.2
105.07052	0.5
107.08606	0.5
107.79239	0.3
111.09217	0.9
111.90197	0.4
112.07590	0.4
115.05040	0.4
119.08615	0.4
120.08117	100.0
121.08479	0.9
127.08693	0.6
128.10719	7.0
129.10257	17.9
130.06516	0.7
130.08647	15.2
136.07605	0.5
139.08714	0.6
146.09673	0.5
147.11292	14.1
155.11784	0.5
156.10220	2.3
157.09805	0.8
163.03940	0.5
172.07547	0.7
184.10857	0.6
190.05382	3.1
191.11884	0.5
200.07085	0.5
209.09245	2.2
217.09755	2.4
226.11829	2.5
227.10312	0.8
234.12515	0.7
235.10785	1.0
244.12933	3.2
245.11343	1.6
262.14001	13.4
263.10294	4.2
271.06049	2.3
285.15933	0.7
303.17191	2.1
304.09723	1.6
391.19717	0.7
399.66632	0.4
409.20862	8.5
423.17072	0.5
451.16409	0.8
546.28967	1.1
564.30347	48.4
565.30359	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.2
55.01863	3.1
55.05503	9.5
57.03448	17.0
57.03696	3.3
67.05501	13.6
69.03427	11.3
69.07061	10.5
71.01333	3.5
71.04996	78.7
71.26808	4.7
71.27137	3.0
73.02921	9.6
75.04491	4.4
77.62778	2.4
79.05512	14.8
81.03420	5.4
81.07062	31.7
83.05001	17.1
83.08624	3.4
85.02910	100.0
87.04466	3.0
91.05473	14.1
93.07053	24.2
95.04964	8.9
95.08609	30.8
97.02888	4.0
97.06528	5.1
99.04436	9.0
101.06049	2.4
105.07044	25.4
107.08594	24.7
109.06496	6.5
109.10150	24.0
111.04432	11.6
113.06020	4.6
117.07005	6.1
119.08589	28.7
121.10158	20.7
123.08102	5.1
123.11726	11.7
125.05976	4.9
129.05478	26.8
129.06946	4.1
131.08607	13.6
133.10146	13.8
135.08035	7.1
135.11684	9.8
136.41809	2.8
142.07730	3.7
143.07285	2.7
143.08522	12.7
145.10144	11.5
147.06499	3.5
147.08101	4.8
147.11681	12.0
149.13281	10.0
155.08618	3.4
157.08890	3.0
157.10085	12.6
159.08038	3.5
159.11684	18.8
161.09625	5.6
161.13278	10.9
163.11238	3.2
163.14857	4.0
168.71024	2.9
169.10135	7.7
171.11719	9.7
173.09575	3.0
173.13303	8.9
175.11208	4.3
175.14828	6.2
177.16403	2.9
181.10106	6.0
183.11702	6.6
185.13254	9.6
187.11159	2.7
187.14780	7.4
189.12845	3.0
189.16359	4.4
197.13240	6.0
199.14818	8.5
201.16428	8.7
203.17899	4.3
209.13379	4.0
211.14864	5.8
213.13066	2.8
213.16325	5.9
215.18001	4.1
223.14806	3.5
225.11006	2.9
225.16362	3.9
227.17944	3.6
229.19691	3.2
255.21034	3.3
257.22668	4.3
269.22672	6.5
287.16702	3.0
295.24280	4.1
381.27676	3.9
399.29031	5.8
403.28360	4.1
415.28400	4.3
417.30139	15.0
509.32330	3.2
527.33636	9.4
545.34424	8.6
563.34692	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36231	3.2
52.70388	2.9
53.03952	26.2
55.01871	8.1
55.05516	19.7
55.32525	3.5
57.03428	10.7
59.05001	4.9
67.05511	38.9
69.03440	19.2
69.07070	23.1
69.78938	4.0
70.06591	4.4
72.08139	10.9
73.02909	11.5
73.82998	4.1
79.05506	29.2
81.03418	37.8
81.07066	100.0
83.08604	14.4
84.08134	7.0
85.02914	41.7
86.09662	5.0
87.04411	4.3
89.06028	3.4
91.05483	31.7
93.07053	64.3
95.04957	11.4
95.08616	64.3
97.02892	25.5
97.10159	7.5
99.04449	9.8
101.75763	3.6
105.07038	48.3
107.04971	4.9
107.08598	62.3
109.02891	86.3
109.06520	5.5
109.10168	47.5
111.04385	3.9
111.11703	4.0
113.02367	23.8
117.07034	7.1
119.08587	50.0
121.06501	4.5
121.10149	48.4
123.11715	19.7
127.03098	6.3
127.03929	68.5
129.07010	5.0
130.07831	5.0
131.03424	52.3
131.08569	12.2
133.10150	34.8
135.08058	7.1
135.11710	33.9
137.13263	7.4
143.08559	6.6
145.10129	31.2
147.11731	33.0
149.09648	4.2
149.13257	45.7
157.10127	9.3
159.11743	20.8
161.09685	6.6
161.13275	31.4
163.11195	5.1
163.14845	23.1
171.11765	6.3
173.13271	19.9
175.11305	4.6
175.14824	20.9
177.12801	4.2
177.16426	8.1
183.11606	4.2
185.13203	7.5
187.14792	14.9
189.16412	16.6
199.14819	4.6
201.16417	17.0
203.05469	7.0
215.17989	15.3
229.19493	6.8
231.21098	16.8
233.22835	3.9
235.51274	4.1
239.05330	5.1
247.16936	6.1
257.06705	21.6
269.22552	8.5
271.24234	85.0
287.23639	7.5
289.25244	15.1
321.21002	5.0
341.31442	4.4
366.90924	3.7
379.26532	5.6
509.28543	4.4
545.31012	7.2
554.27429	4.3
563.23907	8.7
563.32208	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	562.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39257	0.6
52.40716	0.6
55.01882	1.2
55.05512	2.8
57.03433	2.9
57.07081	9.0
67.05505	3.9
69.07069	3.6
69.40007	5.4
79.05507	4.5
81.07069	8.5
83.04984	1.6
83.08623	1.2
85.06551	6.2
91.05480	2.8
93.07062	4.4
95.08619	4.4
97.06535	2.0
97.10159	0.8
98.20765	1.0
98.98480	1.1
105.07037	2.8
107.05035	0.6
107.08610	5.3
109.06535	5.5
109.10147	2.6
111.04462	0.8
111.08113	1.0
111.93765	0.6
119.08598	2.5
121.10147	2.6
123.08055	5.4
123.11676	0.8
124.08882	1.1
125.06007	1.9
129.23407	0.7
131.08591	1.2
133.10165	1.9
135.08043	4.4
135.11740	1.3
137.05995	6.5
147.08038	0.8
147.11691	0.7
147.70184	0.7
149.09645	1.5
149.13243	1.5
149.83417	0.7
149.99371	0.8
151.07544	5.4
151.11227	1.8
152.08344	4.4
161.09659	0.8
161.13182	0.9
165.09126	6.5
165.12819	3.6
166.09859	1.2
175.11220	1.2
177.09111	1.7
177.12775	2.8
179.10698	2.2
179.14351	1.7
181.12305	1.1
193.12321	1.3
194.13040	4.1
197.26895	0.6
198.35896	0.6
198.70792	0.7
207.13823	4.9
213.99551	0.8
233.18996	0.9
263.20108	3.1
313.59744	0.6
314.83868	0.7
319.26324	5.9
335.25653	1.0
347.25827	62.0
348.26239	1.0
365.26907	37.4
366.27634	0.8
378.26434	1.4
390.30200	0.9
393.30038	1.9
403.28244	1.2
421.29507	100.0
422.29990	3.1
439.30560	27.6
476.23828	1.8
501.26273	5.9
519.27136	12.0
519.33722	0.5
562.31354	20.9
563.37848	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.4
54.68532	1.7
55.01875	3.6
55.05516	20.5
57.03439	9.6
57.07076	2.8
63.42927	1.8
65.03943	3.2
65.10181	1.7
67.05510	56.8
69.07070	17.6
69.81599	2.8
69.82007	6.9
71.04987	3.8
73.02926	2.2
79.05499	50.4
81.03391	4.3
81.07063	63.7
83.04968	5.4
83.08624	13.2
85.06526	1.8
91.05488	24.4
93.07048	63.2
93.07641	3.1
95.04981	10.7
95.08616	64.4
97.02887	3.7
97.06525	6.6
97.10178	6.2
99.04438	2.5
105.04506	2.1
105.07026	21.8
107.04995	8.8
107.08604	47.2
109.02865	2.3
109.06512	3.1
109.10172	20.5
111.04403	2.7
111.08094	2.1
117.07008	15.0
119.08597	19.4
121.06505	7.0
121.10165	22.4
123.11689	7.4
125.05973	3.5
125.09625	2.5
126.84647	2.1
129.07030	2.1
130.07762	2.1
131.08553	11.1
133.10156	11.6
135.08089	2.2
135.11707	47.8
137.09579	3.0
137.13222	3.1
145.10138	32.9
147.11707	5.3
149.13271	7.9
159.11703	7.2
161.13280	4.2
163.11195	53.8
163.14827	3.1
166.87122	2.1
173.13298	4.2
181.12314	9.7
187.14758	1.9
227.12804	100.0
237.41711	1.8
243.21141	7.0
261.22137	24.8
262.79874	2.0
279.23187	2.5
280.28738	1.9
283.12433	2.8
283.15445	40.3
293.21249	2.5
317.24622	9.0
326.87427	2.0
335.25827	55.2
341.70328	2.0
433.33533	2.0
518.49384	2.4
543.36908	31.5
561.25250	2.9
561.39905	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	3.1
53.03949	6.0
53.04285	2.5
55.01870	10.2
55.05519	38.0
57.03439	10.7
57.07080	5.6
57.49423	2.5
59.04992	2.7
65.03938	4.2
67.05510	100.0
67.12618	2.5
69.03429	4.2
69.07081	24.0
69.25818	26.3
71.04988	6.4
72.64240	2.7
79.05499	79.2
81.03430	9.0
81.06590	5.2
81.07063	95.0
83.04995	13.9
83.08619	17.2
84.68687	2.6
85.06519	4.7
91.05486	65.5
93.06486	5.7
93.07050	96.0
95.04986	12.9
95.08618	67.1
97.06513	13.9
97.10178	10.5
99.04464	4.2
99.08100	4.7
105.07037	44.8
107.04960	9.6
107.08604	59.5
109.06566	5.2
109.10173	27.7
111.04449	7.5
111.08119	4.7
117.07056	23.5
119.08594	38.6
121.06537	8.6
121.09339	3.3
121.10166	47.2
123.08104	5.4
123.11691	13.7
125.09644	5.1
128.06239	3.1
129.07019	9.6
130.07791	3.3
131.08589	39.6
133.10139	31.9
135.08049	6.1
135.11702	43.7
137.09630	3.1
137.13280	4.0
139.11205	3.5
142.07738	2.9
142.17265	2.6
143.08577	5.2
145.06575	2.9
145.10135	44.4
147.08072	6.2
147.11685	12.0
149.09689	12.7
149.13272	9.6
151.11188	8.3
155.08551	6.3
157.10170	5.2
159.11678	13.2
161.09621	3.2
161.13287	13.2
163.11198	44.3
163.14810	6.2
171.11784	3.3
173.09633	6.9
173.13275	10.9
179.14268	3.4
181.12260	8.0
183.11681	3.5
185.13202	4.7
187.14880	9.5
191.10687	12.2
199.14980	2.9
204.30763	3.8
209.11717	12.3
227.12781	44.6
243.21248	6.4
245.13918	3.4
257.18887	2.7
259.20605	4.2
261.22110	22.4
273.22232	2.8
275.23596	3.6
277.21735	6.2
283.15417	33.9
317.24805	8.8
335.25800	48.8
351.25259	3.0
356.57632	2.6
369.20819	2.7
433.31299	5.3
451.32181	5.8
460.09802	2.6
469.33374	7.2
487.34146	5.5
525.35931	6.2
543.36896	69.7
561.37817	50.5
567.78149	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	561.38
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.6
55.01886	6.9
55.05510	40.6
57.03436	12.2
57.07076	3.2
57.46807	3.0
65.03916	4.0
67.05505	100.0
69.03425	13.6
69.07071	26.7
71.05003	5.4
71.50590	4.4
71.50991	5.5
73.02905	5.6
76.84483	3.6
79.05491	56.4
81.03413	18.5
81.07054	88.2
83.04994	9.5
83.08619	15.5
85.02908	9.0
85.06514	4.9
86.09707	4.6
91.05481	52.7
93.07043	64.6
95.04973	13.3
95.08615	58.6
97.06543	9.9
97.10168	13.2
98.98495	4.7
105.04491	4.2
105.07035	44.3
107.08600	36.7
109.02879	8.5
109.06514	6.0
109.10168	33.6
111.04433	10.0
111.08096	6.0
117.07000	21.0
119.08587	31.9
121.06475	4.5
121.10140	38.9
121.59509	3.2
122.73866	3.1
123.11700	7.8
125.09626	12.2
127.03946	7.1
128.06161	4.8
129.06996	11.2
130.35312	3.4
131.08563	32.6
133.10141	29.8
135.08096	5.3
135.11719	19.0
143.08566	12.0
145.10097	25.5
146.33267	3.4
147.11708	19.1
149.09605	8.6
149.13219	8.6
155.08537	5.2
157.10117	5.7
159.11714	17.5
161.09686	4.4
161.13303	7.7
161.30617	3.3
163.11201	12.5
169.10126	5.8
171.11726	8.0
173.13258	12.0
175.11218	5.8
181.10103	4.2
181.12279	5.0
181.67134	3.4
183.11688	4.1
184.07489	6.2
185.13242	5.9
187.14903	5.8
191.10703	7.6
195.11711	4.4
227.12848	10.0
243.21014	3.9
245.13855	5.2
261.22220	9.8
267.15802	6.1
275.20041	4.4
277.21616	5.9
283.15408	8.8
289.21616	4.4
297.22293	4.7
299.23715	4.0
315.23221	5.4
317.24963	4.8
327.22784	4.1
335.25909	11.5
337.27347	4.6
387.55450	3.7
451.32068	6.9
469.33002	4.4
487.34097	7.0
507.34930	4.2
525.35828	11.9
543.36890	38.3
561.26294	6.9
561.37854	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.3
55.01868	8.6
55.05514	17.7
57.03429	7.4
57.07060	3.3
61.04505	2.3
65.03947	3.5
65.79270	2.4
67.05509	68.8
69.03408	2.8
69.07056	18.0
71.04975	3.5
79.05074	3.8
79.05500	54.8
81.03386	4.4
81.07062	65.7
82.24608	2.0
83.04978	5.7
83.08607	10.6
87.83610	2.1
91.05490	31.4
93.07050	68.4
95.04991	12.1
95.08614	75.9
95.84540	2.2
97.02885	6.3
97.06527	4.9
97.10168	2.1
105.04578	2.4
105.07044	23.6
107.04960	9.2
107.08601	46.5
109.06501	3.8
109.10162	17.7
111.04443	3.5
111.08074	3.9
117.07069	12.0
119.08590	24.4
121.06540	4.0
121.10149	34.2
123.11706	7.7
129.62909	2.6
131.08592	13.5
133.10143	17.8
135.07965	3.7
135.11705	50.6
145.10141	32.1
147.11696	7.7
149.13234	10.8
153.83900	2.4
159.11693	6.0
161.13245	6.8
161.94531	2.8
163.11185	56.2
163.14799	6.9
171.11760	2.8
173.13234	5.1
175.14731	3.8
181.12283	13.1
187.14796	4.4
227.12790	100.0
243.21072	8.8
261.22171	35.6
283.15451	35.2
299.23431	2.3
317.24634	14.1
335.25812	73.0
336.55585	2.4
416.61658	2.4
440.17490	2.7
454.64520	2.5
504.43903	2.9
543.36810	40.0
561.25116	3.8
561.38684	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	561.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.01869	0.3
57.03440	0.2
57.78052	0.1
63.92393	0.1
65.03936	0.2
67.01845	0.1
68.99788	0.7
69.03427	0.6
69.54879	0.2
69.55293	0.5
70.06593	0.8
71.01345	0.1
71.04996	0.1
72.08163	0.8
73.02925	0.2
73.63060	0.1
74.06088	0.1
81.03428	0.9
84.04512	0.2
84.08150	0.6
85.02912	1.3
85.08441	0.1
86.09713	1.0
87.10033	0.1
93.49872	0.1
95.04996	0.1
97.02908	0.6
99.04464	0.3
105.03398	0.6
107.04961	0.2
109.02888	3.1
111.00833	0.7
111.04431	0.2
113.02363	0.7
116.07150	0.1
120.08141	0.2
121.02876	5.9
127.03920	3.8
129.10265	0.2
131.03421	1.8
133.02855	0.7
135.04453	0.2
137.02353	1.2
145.04999	0.1
145.06508	0.3
147.04419	1.0
153.01842	4.0
157.06456	0.5
161.06026	0.2
165.01846	1.7
171.03018	0.2
171.04443	0.3
173.04541	0.2
175.03796	0.1
183.02931	0.8
185.04515	0.2
185.05962	0.5
189.05447	0.3
197.06038	0.2
199.03714	0.1
201.05536	0.2
203.05486	0.3
213.05464	1.6
217.04935	0.2
218.05753	0.2
219.06590	0.1
231.06535	0.9
239.05492	0.2
241.05000	1.2
245.04463	0.4
246.87816	0.2
257.06635	0.7
258.05264	1.0
259.06012	0.4
263.31372	0.1
269.04446	0.3
287.05511	100.0
288.05844	1.5
299.05609	0.2
313.03439	0.5
329.06537	0.4
353.06473	0.1
355.08167	0.5
374.25394	0.1
381.09348	0.1
395.07913	0.1
399.10727	2.0
561.12360	2.2
561.20361	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	561.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	1.2
56.05033	0.6
59.05004	100.0
60.05347	0.6
69.03435	0.6
70.06601	7.0
70.75172	1.4
72.08166	3.3
73.02922	1.1
73.03567	0.5
73.06558	3.5
77.66168	0.6
79.72604	0.6
84.04531	1.0
84.08142	3.6
85.02935	0.7
86.09707	5.0
87.04469	9.6
87.04964	0.9
89.06036	77.4
91.05505	0.6
97.06570	0.7
103.07586	69.0
107.07084	1.3
109.06577	0.7
117.09140	3.4
120.08134	2.1
129.10291	2.4
130.08641	0.8
131.07089	2.4
133.08611	35.1
140.98253	0.7
146.00075	0.6
147.10176	17.6
147.11279	1.1
173.09401	0.7
175.09714	1.2
177.11241	8.2
177.12480	0.7
191.12939	0.7
206.09113	0.6
390.39380	0.7
399.11044	0.7
401.64438	0.7
426.84482	0.7
561.32605	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.9
55.05524	7.2
59.05009	4.3
60.13041	3.2
60.66718	3.2
67.05517	8.6
69.03444	5.3
69.45280	22.1
70.06580	6.5
72.04514	6.1
72.08154	15.5
79.05499	9.6
79.44605	3.4
81.07059	14.3
83.08628	3.5
84.08169	4.5
85.02894	5.7
86.06037	3.2
86.09720	4.6
89.07184	6.3
90.05568	100.0
90.09213	18.6
91.05494	10.4
91.09499	3.3
93.07077	7.7
95.04992	4.3
95.08579	7.2
97.06564	3.8
105.07024	13.2
107.08579	9.1
109.06517	5.5
109.10143	11.7
111.08105	6.1
121.06517	6.3
121.10133	6.2
125.09608	5.5
131.08588	10.5
133.10207	5.8
135.08044	4.1
137.09621	7.1
143.08589	5.7
145.10126	5.1
149.09572	3.7
151.11214	3.9
159.08061	4.3
159.11713	4.8
163.65508	3.3
167.08580	4.3
169.10178	4.9
171.08070	20.3
171.11699	5.1
177.12766	4.8
179.08394	4.6
183.11690	3.7
193.10095	4.3
194.10867	4.7
197.09729	7.5
207.11824	4.0
208.08871	3.6
209.09734	5.0
211.11212	8.4
221.09669	5.5
235.11185	11.1
235.14990	4.6
237.12727	5.8
248.12100	9.7
249.12843	8.4
261.12784	7.3
263.14377	76.3
274.13583	7.7
281.15540	6.5
289.16000	22.1
301.43396	3.8
307.16937	4.5
399.23193	18.1
417.24243	12.7
435.25482	4.3
453.26538	5.7
514.83313	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	560.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28266	0.3
53.85516	0.3
55.05269	0.6
55.05515	7.4
56.05038	0.5
57.05821	0.9
64.74985	0.4
69.65343	2.0
70.06596	0.9
72.08160	100.0
73.08499	0.5
84.08148	0.5
86.09710	23.2
88.04019	1.0
89.26884	0.4
90.24116	0.3
98.09695	0.6
104.04997	0.3
116.03476	0.4
124.07616	0.7
127.08724	0.9
141.10239	0.3
142.08629	1.7
143.11848	1.2
157.25262	0.4
161.00163	0.3
163.11240	0.3
169.09727	6.0
176.77655	0.3
185.16502	4.5
187.07124	0.4
187.10793	10.0
213.15999	5.8
215.10280	14.5
247.12898	7.6
268.16763	0.6
283.16690	0.5
286.17719	2.7
287.05444	0.5
296.16153	0.5
314.17108	26.4
315.17361	0.5
328.18546	2.8
346.19742	1.6
356.18073	0.4
381.25256	1.1
382.23660	0.4
399.25873	2.9
427.25702	3.4
455.24124	0.3
542.28564	0.4
560.28992	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.3
55.01871	2.6
55.05511	19.2
56.10873	2.2
57.03476	2.5
57.07072	11.5
65.03946	4.4
67.05508	45.6
69.03436	3.0
69.07076	38.1
71.04958	3.7
71.08628	8.8
71.51422	4.8
79.05502	33.3
81.03407	4.0
81.06590	5.2
81.07060	100.0
83.04981	3.3
83.08612	17.6
85.06521	3.4
91.05484	31.5
93.07055	55.3
95.04977	4.3
95.08614	95.1
97.06521	4.1
97.10170	8.4
105.07040	57.2
107.08607	61.7
109.06479	3.3
109.10167	64.4
111.11739	6.7
117.07022	9.5
119.08597	46.5
121.10148	52.7
123.08051	4.8
123.11726	27.9
129.07027	3.4
131.08563	22.3
133.10144	37.9
135.11711	33.5
137.09622	2.9
137.13257	12.4
139.42197	2.5
141.09103	6.4
143.08556	9.7
145.10133	24.6
147.11705	28.1
149.09578	2.8
149.13255	26.4
151.11203	4.3
155.08592	3.8
157.10146	10.6
159.11700	22.9
161.13274	20.0
163.11279	3.5
163.14819	15.2
167.18167	2.6
169.10124	5.8
170.10782	2.6
171.11697	10.1
173.13252	22.3
175.14876	15.5
177.12643	2.8
177.16418	8.1
183.11723	4.5
183.97633	2.6
185.13300	11.4
187.14787	13.3
189.16394	9.2
191.17889	7.0
197.13255	3.1
199.14818	8.8
201.16475	13.4
203.18001	11.0
209.13106	2.6
211.14801	7.2
213.16431	7.9
215.17969	8.0
217.19499	5.8
227.17984	5.4
229.19476	5.5
239.17896	3.4
241.19554	4.7
243.21060	5.3
245.22804	3.3
255.21063	5.9
257.22739	5.4
259.24374	4.0
269.22607	5.6
271.24292	3.9
281.22437	3.7
299.23380	2.7
459.39651	2.5
464.74576	3.0
535.35480	3.0
541.47534	12.2
559.48944	67.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.7
55.05515	19.4
57.07082	3.8
62.55305	1.5
65.03945	2.6
66.22135	1.6
67.05509	39.7
69.07078	26.2
69.26057	15.0
71.08627	2.5
77.12392	1.6
79.05497	31.1
81.07060	91.6
83.04930	2.2
83.08619	10.1
91.05489	24.1
93.07053	64.1
93.07647	3.2
95.04965	5.3
95.08614	100.0
96.54510	1.6
97.06525	3.3
97.10178	9.1
103.05474	2.2
105.07034	45.2
107.08599	66.9
109.06532	1.5
109.10162	63.6
111.08125	1.6
111.11736	3.5
117.07031	5.9
119.07712	2.1
119.08585	48.4
121.10159	54.7
123.08106	2.0
123.11718	26.8
125.13316	2.0
129.07039	2.9
131.08575	15.1
133.10133	35.0
135.11694	33.4
137.13258	8.0
140.14297	1.9
143.08563	8.5
145.10132	26.2
147.11696	31.5
149.13272	36.7
151.11290	1.8
151.14871	2.7
156.09280	2.2
157.10104	12.1
159.11707	26.0
161.13254	23.7
163.11305	2.0
163.14816	21.0
163.15938	1.9
165.12846	2.5
165.16460	1.8
169.10146	3.7
171.11691	12.9
173.13281	21.3
175.14839	20.3
177.16428	12.6
179.14308	1.5
181.10117	1.8
183.11816	4.7
185.13278	6.9
187.14806	13.7
189.16365	15.0
191.18008	6.8
197.13303	4.3
199.14775	8.2
201.16428	12.0
203.18013	13.6
205.19562	2.7
211.14818	5.0
213.16417	8.4
214.17168	2.0
215.17984	9.8
217.19485	7.5
225.16364	2.4
227.18097	6.3
229.19594	6.6
231.21150	3.2
238.34923	1.6
239.18047	4.3
241.19611	5.6
243.21143	8.5
245.22748	4.2
252.32327	1.6
253.19553	4.9
255.21138	6.5
257.22531	3.4
259.20721	1.8
267.21216	2.6
269.22736	6.5
271.24304	3.6
281.22760	4.6
283.24191	3.5
287.23743	1.9
295.24286	3.2
297.25815	3.4
311.27383	2.4
325.29010	2.4
337.29068	3.0
395.33133	1.7
405.35074	2.2
419.37021	1.8
489.41019	1.9
501.44562	2.4
506.39337	2.0
541.47675	17.6
559.48877	89.1
560.48645	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	559.4877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80507	1.9
53.03944	2.7
55.05517	20.0
57.07077	4.3
58.11929	1.7
65.03949	2.7
66.51190	1.9
67.05508	41.9
69.07076	25.0
79.05497	26.2
79.72813	1.9
81.07059	99.4
83.08623	12.8
91.05489	25.0
93.07048	65.2
95.04955	5.0
95.08612	100.0
97.06501	3.1
97.10176	7.6
98.20782	4.3
105.07032	45.5
107.08600	74.8
109.10164	65.8
111.08078	2.9
111.11718	2.8
115.95670	2.5
117.07023	6.8
119.08588	58.5
121.10147	61.7
123.11729	27.0
131.08574	15.2
133.10126	36.7
135.11707	35.8
137.13258	10.0
143.08575	6.8
144.09427	2.7
145.10135	25.8
147.11696	35.6
149.13266	37.1
157.10138	9.8
159.11690	30.7
161.13263	29.5
163.14847	20.8
169.10118	5.6
170.10953	2.4
171.11714	10.8
173.13306	21.2
175.14824	19.6
176.75682	2.1
177.16411	12.1
183.11746	4.3
185.13284	7.9
187.14853	13.4
189.16449	16.3
191.17966	8.1
197.13298	3.2
199.14839	10.6
201.16422	11.5
203.17938	14.8
205.19629	3.5
211.14896	2.9
213.16409	9.9
215.17943	9.6
216.18550	2.0
217.19560	9.0
227.17996	4.9
229.19528	4.2
231.21104	4.0
239.18073	2.5
241.19582	5.7
243.21179	7.7
245.22681	5.8
255.21175	4.1
257.22717	5.1
259.24292	4.2
267.21036	3.6
269.22626	4.4
271.24194	2.6
281.22687	2.8
283.24261	6.2
285.25952	2.4
287.38318	2.2
297.25989	3.1
323.27368	2.9
325.28882	3.3
337.29071	2.7
385.18094	2.5
409.34915	2.1
540.96838	2.3
541.47467	14.3
559.48822	93.5
560.48956	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	559.4876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	1.4
53.03951	2.7
54.78376	1.4
55.05514	12.6
55.73854	1.5
57.03433	1.9
57.07079	2.6
59.12542	1.1
62.30950	1.3
65.03941	3.0
67.05511	32.4
68.23727	1.2
69.03445	1.2
69.07073	18.6
70.06575	1.3
71.03460	1.3
71.08631	2.4
79.05495	24.8
81.03420	2.5
81.07061	63.3
83.04965	1.8
83.08627	8.4
85.06565	2.0
86.26894	1.2
88.07637	2.2
89.03980	1.3
91.05488	18.7
93.07045	42.0
95.04974	5.7
95.08612	58.2
97.06565	2.3
97.10176	5.3
98.21628	2.7
99.08044	1.3
102.09209	2.2
103.05458	1.6
105.07043	28.1
106.80795	1.2
107.08604	42.3
109.02865	1.4
109.06528	5.3
109.10164	39.6
111.08060	2.1
111.11705	1.9
115.05494	1.4
116.05399	1.2
117.07043	4.4
119.08593	35.5
121.10154	32.7
123.04467	3.2
123.08110	2.7
123.11707	16.3
125.09626	2.0
129.07025	3.6
130.07832	1.2
131.08565	10.2
133.10130	17.2
135.11705	21.8
137.13277	6.2
142.07796	1.5
143.08612	5.9
145.10126	18.9
147.08095	1.3
147.11703	20.0
149.13264	18.3
151.11226	2.2
151.14850	2.4
157.10150	7.5
159.11705	17.1
161.13264	16.3
163.14815	11.9
169.10179	3.1
171.11641	7.9
172.12538	1.4
173.13275	11.4
175.14835	11.4
177.16394	3.4
179.14368	1.7
183.11742	2.6
185.13324	5.4
187.14844	7.9
189.16345	7.8
191.17995	3.0
195.11716	1.3
197.13303	1.9
199.14792	6.9
201.16360	7.0
203.17970	7.0
205.19537	2.4
211.14896	3.2
213.16423	6.6
215.17929	7.4
217.19524	5.0
225.16418	1.8
227.18028	3.8
229.19569	3.9
231.21152	2.6
235.16968	3.3
239.18056	2.4
241.19592	3.2
243.21193	3.2
245.22678	1.9
255.21320	2.1
256.26459	3.5
257.22684	2.3
257.26749	2.9
267.21201	1.3
269.22733	3.2
271.24231	1.8
283.24307	2.0
307.22781	4.0
309.17160	1.5
323.27719	2.1
393.35242	1.9
398.16037	2.0
399.16095	2.7
400.16943	3.7
401.17487	1.9
413.17749	3.3
414.18488	6.2
415.19055	8.2
416.20160	1.6
425.17911	1.7
427.19720	1.8
428.20239	2.3
429.20959	8.8
430.22028	3.1
441.17447	1.7
442.17963	2.6
443.18198	3.9
443.23376	3.0
444.19199	1.5
456.20007	1.6
457.20291	5.6
458.20975	3.2
471.21759	4.7
472.22971	3.5
485.19638	2.0
486.20477	3.1
487.21222	2.5
488.22122	1.9
489.40817	1.5
490.20074	1.7
499.21426	4.5
503.24500	3.5
531.23999	4.9
541.39868	2.9
541.47833	9.7
559.23486	100.0
559.49158	45.8
560.23590	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	559.4877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02339	1.9
53.03952	5.7
55.05514	18.8
57.07076	4.0
65.03925	3.1
67.05508	33.4
69.07074	28.2
69.25182	16.9
79.05074	2.2
79.05500	28.9
79.59921	1.9
80.08006	1.8
81.07060	96.7
83.08631	11.5
85.06546	2.3
91.05484	26.7
93.07047	64.9
95.08611	96.8
97.06562	3.3
97.10186	9.2
98.20798	3.2
105.04534	2.9
105.07036	46.3
107.08604	63.7
109.06576	2.8
109.10160	70.7
111.08094	2.7
111.11728	5.0
117.07024	4.2
119.08588	57.7
121.10152	59.8
123.11716	29.0
129.07022	2.3
131.08575	16.5
133.10138	36.4
135.08130	2.1
135.11696	33.7
137.13280	9.2
143.08592	7.2
144.09331	3.1
145.10129	25.4
147.11691	30.6
149.13268	35.2
151.14891	2.7
157.10133	13.1
159.11696	26.4
161.13278	27.1
163.14851	22.8
169.10146	4.4
171.11667	10.4
173.13269	17.5
175.14793	20.2
177.16415	12.8
183.11806	4.6
185.13258	9.3
187.14847	13.4
189.16400	13.7
191.18007	4.5
197.13298	2.3
199.14769	9.9
201.16414	12.6
203.17979	14.3
205.19540	2.9
211.14935	5.3
213.16423	11.9
215.17996	14.3
217.19518	9.9
219.32985	1.8
222.62532	1.9
223.14682	2.0
225.16371	4.5
227.17978	8.0
229.19563	6.3
231.21161	3.6
239.17882	2.6
241.19543	4.4
243.21158	6.5
245.22670	3.7
253.19719	3.5
255.21208	5.0
257.22720	5.7
267.21133	3.4
269.22690	5.7
271.24368	3.1
272.22256	1.8
281.22687	2.7
283.24246	5.2
287.23688	2.3
295.24207	2.5
297.25809	4.9
323.27475	3.0
325.28763	2.6
337.28909	3.7
351.30527	2.6
393.35107	2.2
477.41367	2.7
501.44415	2.5
541.47736	15.7
559.29163	5.9
559.48785	100.0
560.49017	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	559.4877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.8
55.05519	17.7
57.07087	3.5
59.94991	1.8
65.03958	2.5
67.05179	2.7
67.05515	35.6
69.07076	24.3
70.84130	4.8
71.08629	1.8
79.05507	23.9
81.07067	78.1
83.08643	9.5
91.05486	23.3
93.07057	55.9
95.04994	3.0
95.08620	89.4
97.06554	1.9
97.10200	8.6
103.05489	2.2
105.04564	1.9
105.07043	37.3
107.08606	64.7
109.06522	4.0
109.10175	60.1
111.11725	2.5
117.07049	5.8
118.80693	2.2
119.08603	46.0
121.10158	45.1
123.08087	2.0
123.11728	26.7
129.07019	3.1
131.08575	12.3
133.10144	30.1
135.11714	32.8
137.13284	6.9
143.08578	8.4
145.10138	20.8
147.11714	28.2
149.13283	30.9
151.11255	2.1
151.14789	2.7
157.10170	11.2
159.11720	27.9
161.13258	19.4
163.14848	17.9
169.10155	2.0
171.11748	11.9
173.13286	15.6
175.14833	18.9
177.16425	12.4
183.11739	4.6
185.13336	7.5
187.14856	12.6
189.16451	16.1
191.18037	5.2
193.15903	1.9
197.13313	4.9
199.14888	7.2
201.16362	11.6
203.18016	12.8
205.19675	2.2
209.13309	2.3
211.14854	4.2
213.16493	9.0
215.17938	11.2
217.19572	5.8
223.14871	1.8
225.16440	4.0
227.18056	6.7
229.19452	9.1
231.21060	2.8
239.18016	3.1
241.19620	6.5
243.21170	6.7
244.49905	1.8
255.21185	4.8
257.22708	5.7
267.20956	3.0
269.22791	6.0
271.24438	2.2
281.22717	4.0
283.24301	4.0
295.24249	2.8
297.25778	5.2
351.30441	4.2
391.33856	2.1
393.35672	2.1
437.38165	1.9
501.44653	3.8
541.47858	21.4
559.48840	100.0
560.49500	3.2
568.65363	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	559.4878
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02401	2.5
53.03937	6.0
54.84712	1.7
55.05517	19.7
57.07079	7.1
58.44638	2.2
65.03949	3.3
67.05513	44.7
69.07076	29.3
69.25373	13.2
69.25793	4.4
69.93352	1.9
79.05500	25.3
81.07064	95.3
83.04969	2.1
83.08621	11.0
91.05490	25.3
93.07052	57.9
95.04971	6.5
95.08615	99.4
95.43583	1.9
97.06553	2.3
97.10178	8.6
105.07041	45.7
107.07875	4.0
107.08607	75.0
109.06556	3.5
109.10165	62.8
111.08102	2.2
111.11722	5.4
117.07033	6.1
119.07961	1.0
119.08587	51.8
121.10156	55.0
123.08062	3.2
123.11719	28.0
129.06961	2.6
131.08575	18.8
133.10143	34.9
135.11697	38.8
137.09642	2.8
137.13271	9.4
141.06903	2.9
143.08577	9.1
144.09306	2.5
145.10132	27.3
147.11697	36.1
149.09666	3.4
149.13266	35.0
151.14827	3.6
157.10127	13.4
158.10995	2.4
159.11697	35.9
161.13271	30.1
163.14856	17.3
169.10159	4.6
171.11710	13.8
173.13263	20.8
175.14830	23.1
177.16389	14.3
183.11757	5.7
185.13242	10.1
187.14813	14.8
189.16411	21.0
191.14465	2.1
191.18019	6.6
197.13336	5.1
199.14886	12.4
201.16391	9.8
203.17995	14.3
211.14825	4.3
212.08798	1.9
213.16396	10.1
215.17931	11.2
217.19537	10.0
225.16479	4.3
227.18001	7.7
229.19595	6.8
231.21150	4.4
233.19086	2.6
239.18080	3.2
241.19505	5.3
243.21164	6.9
245.22682	4.4
255.21149	4.8
257.22653	6.1
267.21185	2.4
269.22681	4.8
271.24265	5.5
281.22699	3.7
283.24255	3.9
291.19550	3.2
295.24283	3.0
329.28638	2.3
351.30698	2.8
391.33643	2.4
409.34692	2.4
501.44376	2.4
541.47797	19.5
559.34485	4.4
559.48785	100.0
560.48602	2.8
566.96069	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	559.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
62.75426	0.5
67.05501	0.8
71.51480	0.6
72.24146	0.5
79.05487	1.1
81.07058	1.7
83.08652	0.7
91.05526	0.9
93.07095	0.7
95.08619	1.4
105.07059	0.7
108.34055	0.6
119.08610	1.0
121.10149	0.8
131.08543	0.8
147.11693	0.7
153.29526	0.6
213.16258	0.6
246.15665	0.5
337.20032	0.5
346.53116	0.5
382.09955	0.6
515.25031	0.7
516.10321	0.6
559.41870	100.0
560.42236	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	559.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	12.0
55.01870	3.7
55.05513	26.8
57.03442	12.5
57.07089	7.6
65.03944	8.6
67.05510	85.3
69.03431	5.9
69.07070	24.3
69.32508	27.1
71.05008	3.9
71.08654	3.8
79.05501	82.1
81.03445	12.7
81.07063	100.0
83.04997	12.4
83.08614	14.4
85.06554	3.8
88.07638	2.9
91.05490	65.2
93.07052	83.8
95.04983	22.2
95.08621	61.8
97.06532	4.3
97.10182	7.3
105.07041	45.0
107.04969	6.9
107.08588	24.8
109.06554	9.3
109.10149	19.4
111.08087	4.5
117.07024	14.4
119.08592	32.6
121.10130	25.3
123.08077	7.5
123.11736	8.8
127.07671	3.1
129.07039	14.1
131.08586	22.6
133.10143	17.1
135.08124	4.4
135.11737	11.5
141.09097	8.2
141.21225	3.4
143.08601	9.3
145.10158	15.4
147.08037	4.0
147.11707	30.4
149.13286	9.8
157.10173	5.2
159.10316	4.0
159.11742	10.5
161.09697	5.6
161.13303	10.0
169.10216	4.2
171.11726	21.0
173.13425	5.6
179.14362	3.9
185.13258	5.1
187.14870	4.7
189.12718	7.4
207.13809	26.5
243.21303	3.1
256.26505	7.5
257.11783	3.3
257.26804	4.4
261.22241	13.9
279.15979	5.1
281.17520	46.7
335.25824	33.1
383.28091	3.5
467.35764	4.1
541.39032	59.0
559.23749	6.0
559.39520	12.8
559.42969	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.382
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86058	0.3
55.05509	0.8
57.07069	0.5
67.05511	1.8
69.07059	1.3
71.51711	0.5
79.05491	1.2
81.03415	0.6
81.07065	3.5
91.05491	1.0
91.83093	0.4
93.07057	1.9
95.04992	0.5
95.08622	2.0
95.51885	0.4
105.07052	1.2
107.08591	1.4
109.10181	1.8
109.77411	0.3
119.08574	1.3
121.10146	0.9
123.11684	0.5
131.08549	0.6
133.10132	1.1
147.11664	0.5
149.13245	0.5
159.11607	0.5
161.13249	0.5
173.13144	0.7
220.54976	0.4
283.53616	0.5
297.73987	0.4
446.48154	0.4
471.77890	0.4
501.37643	25.4
502.37881	0.5
524.55847	0.5
559.38177	100.0
560.38733	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	559.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.2
55.01862	8.7
55.05277	2.7
55.05518	42.2
57.03431	5.6
57.07066	5.7
57.49003	1.7
58.29069	1.9
59.04992	8.7
59.75885	2.1
65.03928	5.2
67.05511	68.1
69.03397	4.3
69.07075	19.0
70.14547	4.8
71.04996	4.0
71.08632	5.0
79.05498	63.1
81.03423	7.0
81.07064	69.5
83.04977	9.1
83.08626	20.4
85.02905	2.2
85.06549	4.5
90.92981	1.8
91.05488	57.4
93.07050	66.4
95.04968	9.2
95.08077	2.6
95.08625	44.3
95.80174	2.0
97.02872	3.9
97.06541	7.7
97.10172	23.8
99.00800	7.9
105.04524	2.4
105.07043	48.7
107.04951	8.6
107.08607	40.8
109.02903	12.6
109.06509	5.8
109.10163	23.8
111.04453	3.2
111.08073	7.2
115.05461	4.6
117.07035	19.5
119.08596	30.5
121.06490	5.9
121.10165	25.8
123.04403	3.9
123.08105	4.9
123.11727	7.4
125.09641	13.1
128.06238	4.4
129.06981	10.4
130.07806	2.6
131.08582	28.4
133.06526	4.2
133.10138	44.5
135.08069	7.8
135.11716	21.0
137.09648	3.0
141.07016	4.4
142.07835	3.6
143.08548	13.9
145.06476	3.3
145.10138	21.3
147.08034	5.4
147.11710	14.3
149.09619	3.9
149.13254	13.8
151.11179	8.9
153.09132	3.2
153.12813	4.0
155.08543	6.8
157.10069	12.2
159.11729	15.6
161.09671	18.0
161.13269	10.2
163.11201	4.3
163.14842	4.3
167.08582	2.7
167.72572	1.9
169.10136	8.5
171.08105	6.3
171.11716	12.2
173.09648	3.7
173.13258	9.8
175.14828	4.6
179.10701	10.7
179.14249	2.6
181.10182	3.5
181.12300	2.5
183.11662	7.1
185.13283	6.1
187.14888	5.4
189.09126	8.8
189.11217	7.0
189.12746	2.8
191.10596	2.4
195.11757	5.7
197.11621	2.6
197.13249	6.2
199.14844	7.1
201.12622	2.3
201.16362	3.7
207.10107	4.3
211.14830	4.3
215.14301	2.5
223.14944	2.7
225.11238	13.7
227.12766	8.6
235.13229	2.3
243.21124	5.1
247.29637	2.1
259.20609	4.8
261.22073	11.9
277.21710	4.7
281.13782	7.0
283.15366	2.7
285.22165	2.6
287.23669	10.3
299.14929	2.9
299.20181	2.6
307.22702	2.6
313.21597	4.2
313.27371	3.6
314.27649	2.6
315.23206	21.9
317.24704	2.9
327.22873	2.6
333.24472	2.8
341.21149	2.8
403.30286	3.0
421.31201	10.5
439.32126	4.7
449.30630	12.6
457.32962	6.6
467.31494	28.8
485.32318	13.9
495.34323	2.6
513.35809	19.4
515.37146	3.0
523.34314	4.6
531.36749	20.4
541.35297	52.7
542.35266	2.5
559.36285	100.0
560.36816	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	559.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	3.6
53.03941	7.6
55.01879	7.5
55.02087	1.5
55.05516	42.5
57.02176	1.4
57.03431	4.7
57.07072	5.6
59.04987	3.9
59.08967	1.3
65.03957	3.8
67.05511	68.8
68.20564	1.6
69.03418	5.9
69.07070	23.5
71.04996	3.1
71.08652	2.3
71.51048	1.9
79.05497	61.3
81.03422	6.4
81.07065	68.1
82.07323	1.8
83.04976	6.0
83.08627	23.2
85.06543	5.1
87.04469	1.6
91.05486	51.1
91.53664	1.4
93.07050	70.9
95.04978	11.2
95.08614	35.7
97.02883	4.9
97.06575	8.8
97.10175	22.1
99.00839	10.1
99.08138	2.3
103.05469	4.1
105.04517	1.7
105.07038	50.2
107.04984	9.5
107.08603	40.3
109.02879	12.1
109.06521	6.1
109.10162	19.1
111.04425	2.8
111.08112	7.4
115.05461	3.4
117.07034	17.7
119.08590	30.6
121.06505	6.7
121.10153	28.0
123.04438	4.8
123.08092	3.9
123.11715	7.7
125.09631	18.0
128.06259	3.6
129.07014	11.0
131.08569	20.7
133.06534	1.8
133.10146	38.8
135.08061	5.3
135.11708	19.6
137.09621	3.0
137.13255	2.1
139.07529	2.5
141.06956	2.8
142.07825	2.2
143.08583	14.9
145.06532	4.4
145.10123	20.7
147.08076	3.8
147.11676	13.2
149.09637	4.3
149.13242	9.5
151.01567	1.8
151.11224	7.0
153.09158	3.8
155.08553	5.7
157.10138	13.5
159.08073	3.7
159.11682	16.8
161.09615	16.6
161.13289	10.6
163.11208	4.4
163.14818	1.7
169.10136	7.8
171.08127	4.2
171.11679	7.6
173.09682	3.9
173.13252	11.8
175.11301	2.1
175.14807	3.3
179.10707	8.5
181.10144	4.5
181.12302	2.8
183.11763	6.3
185.09695	2.8
185.13289	10.2
187.11290	2.5
187.14882	6.5
189.09203	7.5
189.11166	8.7
189.12727	1.8
195.11792	3.0
197.11636	2.1
197.13257	5.4
199.14899	4.8
201.12802	2.0
203.14334	2.4
207.10187	5.1
209.13419	2.6
211.14885	3.0
213.12868	1.6
213.16541	2.4
223.14925	4.6
225.11145	12.6
227.12782	8.9
239.17970	2.4
241.19537	1.9
243.21198	4.2
259.20627	4.8
261.22095	11.4
271.20505	3.1
277.21777	6.4
278.01645	1.5
281.13785	8.7
287.23770	5.5
297.22324	2.7
299.15192	2.2
299.20319	2.9
313.21689	3.5
315.23169	23.6
317.24863	3.1
333.24234	1.9
335.26004	2.6
339.22964	1.6
349.23862	1.9
383.26373	1.6
403.29980	2.5
405.31650	1.9
421.30991	7.8
423.32205	1.9
439.32172	5.7
449.30438	14.3
457.33218	4.7
467.31625	28.8
485.32858	16.4
495.34598	4.4
513.35913	21.9
515.37433	3.6
523.33990	3.0
531.36780	17.7
541.35321	55.1
542.35681	1.8
559.36407	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.6
55.01870	10.8
55.05517	37.0
57.03437	13.0
57.07085	4.2
59.04987	5.8
65.03939	7.1
65.19099	2.4
67.05512	98.5
69.03418	4.8
69.07075	21.3
71.01388	5.4
71.04990	7.4
71.50777	6.4
78.18392	2.9
79.05499	94.2
81.03429	31.0
81.07065	78.6
83.04985	14.7
83.08628	18.8
85.02905	5.3
85.06553	6.1
89.06017	3.3
91.05487	72.2
93.07055	100.0
93.07644	6.1
95.04979	62.4
95.08622	62.3
97.06543	9.2
97.10166	12.5
98.98493	7.7
99.08093	4.1
105.04552	4.3
105.07041	43.2
107.04975	19.2
107.08604	44.6
109.02882	12.0
109.06532	11.1
109.10171	23.5
111.04445	3.4
111.08098	8.0
117.07030	21.9
119.08598	37.8
121.06504	8.1
121.10152	35.5
123.04440	62.8
123.08109	5.0
123.11664	3.9
125.09635	5.5
129.07024	13.0
130.07785	4.8
131.08594	28.4
133.10139	29.9
135.08063	11.7
135.11700	37.2
137.05962	4.3
137.09587	4.9
141.07007	4.4
143.08530	13.9
145.06506	4.7
145.10143	44.7
147.08037	7.9
147.11710	26.2
149.09680	11.9
149.13252	10.9
151.11147	3.7
153.09108	4.7
155.01134	7.0
155.08574	4.4
157.10155	10.7
159.11691	13.9
161.09691	3.8
161.13293	13.7
163.11168	29.1
169.10156	4.5
169.40349	3.4
171.11734	10.3
173.09666	9.4
173.13290	8.5
175.11092	4.2
175.14833	5.3
177.12791	4.2
181.12250	3.5
187.14793	3.0
189.12802	8.5
191.10678	6.4
207.13829	6.7
215.17946	9.9
217.12259	8.0
221.15404	3.8
227.12746	28.5
233.19002	6.3
235.13293	75.8
237.78181	3.1
241.19458	7.4
253.14220	4.1
257.18900	3.9
259.20645	17.8
275.20093	4.8
283.15448	10.4
307.22662	84.3
309.17001	45.7
333.24274	17.7
335.25729	5.7
449.30441	3.9
523.34747	3.5
541.35297	45.9
559.36920	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	558.343
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32112	0.4
58.06606	3.5
62.04863	0.3
68.05029	1.0
69.03439	8.1
69.85848	1.9
86.06078	18.8
87.04476	52.2
104.07115	100.0
106.99364	0.4
147.90837	0.3
200.24777	0.4
220.53694	0.4
260.00018	0.5
267.00461	0.4
289.11807	0.4
299.95120	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40292	0.6
55.05487	0.6
57.03440	5.3
59.05003	100.0
67.05495	0.9
69.07096	0.5
70.06593	1.0
71.51087	0.8
72.08173	0.7
79.05486	0.9
81.03410	0.9
81.07048	1.3
84.08144	1.5
86.09673	0.6
91.05491	1.1
93.07037	0.8
95.08595	0.7
97.06511	0.7
99.08112	1.3
101.09650	1.6
105.07043	0.9
109.10094	0.6
115.07574	2.6
117.09138	37.8
126.71394	0.5
127.70869	0.6
136.47339	0.6
145.10170	0.6
175.13306	13.9
233.17480	5.2
239.44151	0.5
251.18622	0.6
289.73187	0.5
291.21552	0.8
448.93723	0.6
498.18231	1.3
541.39191	0.7
558.20313	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2997
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
55.01849	3.7
55.05523	14.7
55.95856	3.0
57.03441	6.9
57.07086	69.7
63.02726	2.4
63.93577	2.6
67.05508	33.2
69.07076	16.6
71.04978	3.9
71.08642	53.8
71.50935	4.1
79.05492	13.3
81.03401	5.2
81.07072	34.6
83.08632	20.3
85.02903	3.5
85.10195	32.5
86.10496	3.1
89.06033	21.3
91.05477	9.3
93.07030	11.8
93.74705	2.6
95.04941	2.9
95.08612	40.8
97.10159	9.8
99.11720	3.7
103.22540	2.7
105.07017	7.8
107.08614	7.2
109.02860	3.1
109.10182	22.1
110.03626	4.7
111.11748	4.0
119.08562	5.5
120.08969	2.8
121.10163	5.3
123.11698	8.2
131.08589	4.7
133.08604	12.4
133.10133	4.4
134.08939	4.1
135.11716	4.6
137.13226	5.5
145.10173	5.0
161.13309	3.4
175.11194	3.3
177.11221	4.0
185.13329	3.1
238.48773	3.3
239.23706	36.9
257.24875	6.5
313.27426	100.0
328.37021	2.8
331.28604	3.6
341.26874	3.7
467.37146	4.9
539.37775	4.2
557.11652	3.1
557.37714	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	557.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81933	5.3
53.03930	10.7
55.01867	15.1
55.05502	26.0
57.03432	13.5
57.07063	15.8
58.93196	5.0
63.41303	5.2
63.76789	5.4
65.03947	7.4
67.05505	100.0
69.03430	38.4
69.07077	36.4
70.06587	7.0
71.01354	5.3
71.05007	11.6
71.08636	7.6
71.10144	10.8
79.05493	73.4
81.03427	48.0
81.07059	99.4
83.04964	13.3
83.08627	13.2
85.02916	44.6
85.06537	9.2
87.04488	6.6
88.07660	8.8
89.06011	12.6
91.05485	66.5
91.77419	4.7
93.07053	82.3
95.04974	20.7
95.08607	69.6
97.02911	35.4
97.06534	14.2
97.10204	7.3
99.04496	12.9
99.08097	7.8
103.03934	9.3
105.07046	60.7
107.04935	6.8
107.08598	50.3
108.92326	5.3
109.02882	23.7
109.06503	12.1
109.10160	44.6
111.04409	9.9
111.08076	8.5
117.07027	23.1
119.08588	40.9
121.06525	7.6
121.10156	51.9
123.04431	10.2
123.08062	8.2
123.11736	16.2
127.03930	25.1
129.06989	25.2
131.08580	48.1
133.06537	9.1
133.10146	41.1
135.08069	12.9
135.11702	33.5
137.13258	9.4
141.06953	9.8
143.08577	18.3
145.05006	9.2
145.06404	7.2
145.10112	43.3
147.08089	11.8
147.11714	33.1
149.09578	9.2
149.13264	22.6
151.11212	5.8
153.07025	6.9
155.05923	5.1
155.08588	8.1
157.10123	23.5
159.11650	33.0
161.09671	10.5
161.13290	18.6
163.11176	8.6
169.10138	11.7
169.56798	5.3
171.11723	23.8
173.13269	25.2
175.14761	5.6
179.14380	6.8
181.10144	6.8
183.11690	11.2
185.09706	5.6
185.13303	8.0
187.11154	9.3
187.14832	11.4
189.12727	10.6
189.16376	6.4
195.11787	7.5
201.12715	9.0
203.14372	5.4
203.17940	6.5
211.14717	5.8
213.12688	7.9
213.16431	6.8
215.17995	27.4
219.13622	6.3
231.17432	18.8
233.19046	26.0
245.19177	6.0
247.20610	6.3
249.18549	12.2
251.20164	7.0
256.26523	15.6
257.19046	7.2
275.20062	24.3
283.26321	10.1
284.29547	13.8
287.20120	8.9
299.20343	7.0
300.28940	6.6
317.21265	6.8
323.20074	8.5
331.23065	8.1
341.21146	28.5
359.22198	37.7
366.13730	6.1
377.23328	20.5
395.24191	15.4
467.37482	13.5
485.25433	9.4
503.26236	6.6
521.27191	11.1
539.29419	8.7
556.53271	13.3
557.53430	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	555.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	11.7
55.01872	12.2
55.05514	22.3
57.03433	8.0
57.07069	6.2
61.02923	6.7
67.05515	27.6
68.52670	3.0
68.99791	5.2
69.03080	4.7
69.03437	48.8
69.07073	30.0
70.23621	8.2
71.04998	21.4
71.94243	2.8
73.02909	9.4
79.05490	22.1
81.03426	37.9
81.07066	100.0
83.08614	19.0
85.02913	85.3
85.03310	1.8
87.00845	34.6
91.05499	16.0
91.48613	3.0
93.07048	37.5
95.04971	3.4
95.08614	72.0
97.02915	30.4
97.06536	14.2
97.10182	11.8
99.04453	14.7
99.08117	6.4
105.01878	26.5
105.07048	28.4
107.08605	52.6
109.02896	38.6
109.10170	70.0
109.96642	3.5
111.08070	3.9
111.11749	5.2
115.03951	6.9
116.78951	3.2
117.01859	6.4
117.06967	3.6
119.08594	39.9
121.10168	38.4
123.08076	12.4
123.11712	36.0
125.09625	14.1
126.30495	2.9
127.03938	54.2
127.11201	33.8
131.08582	9.0
131.21542	3.3
133.10135	25.2
135.11725	25.6
135.65608	3.4
137.09621	8.7
137.13260	8.1
145.04964	19.2
145.10126	12.4
147.11700	25.7
149.13260	37.9
149.95029	2.9
151.11293	3.7
151.14847	5.5
157.10117	4.7
159.02882	18.6
159.11696	9.2
161.13251	17.2
163.14850	26.6
165.12778	7.1
171.11697	4.7
173.13295	9.7
175.14824	11.4
177.16457	5.8
187.14844	11.1
189.16423	10.7
191.17963	11.4
201.03897	5.8
201.16443	12.1
203.17998	40.4
205.19569	3.6
215.17998	8.5
217.19531	12.4
219.05080	4.3
221.19037	14.7
231.05042	13.7
249.05688	3.5
271.24268	21.4
273.25867	4.8
287.23795	3.4
289.25269	83.7
324.66089	3.6
506.98816	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	555.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	11.7
55.01872	12.2
55.05514	22.3
57.03433	8.0
57.07069	6.2
61.02923	6.7
67.05515	27.6
68.52670	3.0
68.99791	5.2
69.03080	4.7
69.03437	48.8
69.07073	30.0
70.23621	8.2
71.04998	21.4
71.94243	2.8
73.02909	9.4
79.05490	22.1
81.03426	37.9
81.07066	100.0
83.08614	19.0
85.02913	85.3
85.03310	1.8
87.00845	34.6
91.05499	16.0
91.48613	3.0
93.07048	37.5
95.04971	3.4
95.08614	72.0
97.02915	30.4
97.06536	14.2
97.10182	11.8
99.04453	14.7
99.08117	6.4
105.01878	26.5
105.07048	28.4
107.08605	52.6
109.02896	38.6
109.10170	70.0
109.96642	3.5
111.08070	3.9
111.11749	5.2
115.03951	6.9
116.78951	3.2
117.01859	6.4
117.06967	3.6
119.08594	39.9
121.10168	38.4
123.08076	12.4
123.11712	36.0
125.09625	14.1
126.30495	2.9
127.03938	54.2
127.11201	33.8
131.08582	9.0
131.21542	3.3
133.10135	25.2
135.11725	25.6
135.65608	3.4
137.09621	8.7
137.13260	8.1
145.04964	19.2
145.10126	12.4
147.11700	25.7
149.13260	37.9
149.95029	2.9
151.11293	3.7
151.14847	5.5
157.10117	4.7
159.02882	18.6
159.11696	9.2
161.13251	17.2
163.14850	26.6
165.12778	7.1
171.11697	4.7
173.13295	9.7
175.14824	11.4
177.16457	5.8
187.14844	11.1
189.16423	10.7
191.17963	11.4
201.03897	5.8
201.16443	12.1
203.17998	40.4
205.19569	3.6
215.17998	8.5
217.19531	12.4
219.05080	4.3
221.19037	14.7
231.05042	13.7
249.05688	3.5
271.24268	21.4
273.25867	4.8
287.23795	3.4
289.25269	83.7
324.66089	3.6
506.98816	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	554.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.0
57.07079	32.3
59.04990	0.8
60.04537	1.2
67.05490	1.1
69.07073	4.6
70.14525	1.9
71.08635	29.7
73.02913	0.6
73.06567	7.0
76.16544	0.4
81.07058	0.8
83.08616	4.7
83.40620	0.5
85.10188	17.4
87.04485	3.5
87.42162	0.4
89.06035	100.0
91.07597	1.2
95.08589	0.8
97.10166	5.4
99.11747	3.0
100.53722	0.5
102.74885	0.4
107.07079	2.1
111.11728	2.7
113.12564	0.5
113.13300	1.9
117.09148	4.0
119.08627	0.7
120.08115	0.5
125.13278	1.9
127.14852	1.8
130.08684	1.5
131.07028	1.2
133.08609	53.5
135.10165	0.8
139.14798	1.0
141.16423	1.7
155.17981	1.5
161.11797	0.7
169.19510	0.5
177.11232	18.8
195.12347	1.1
211.24255	1.9
221.13823	3.3
239.14900	2.4
255.26854	2.2
266.76608	0.5
280.26797	0.5
283.17484	2.4
299.29477	5.7
309.18985	0.5
327.20151	9.2
343.32120	3.3
361.18616	0.4
449.38184	0.6
493.41220	1.1
536.50555	1.3
537.43719	9.6
554.46484	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.1
55.05516	9.1
57.03432	2.7
57.07080	42.3
59.05005	100.0
67.05511	8.3
69.07071	13.2
69.76818	2.5
69.77229	3.9
71.08634	33.7
73.06569	9.6
79.05501	8.2
81.07073	8.9
83.04964	1.4
83.08622	12.3
85.10187	21.2
87.04442	2.4
88.68478	1.1
89.06038	49.1
91.05482	4.5
91.07587	1.2
93.07047	12.7
95.04969	2.1
95.08614	13.5
97.02902	1.4
97.06517	2.0
97.10175	8.9
98.21478	2.4
99.11730	3.0
103.07590	77.6
105.07052	5.3
107.04952	3.2
107.08625	7.8
109.06554	1.6
109.10159	2.3
111.11721	3.9
113.13309	2.0
117.07049	2.8
117.09146	5.4
119.08594	7.2
121.06532	2.1
121.10142	5.1
123.11737	1.4
125.13249	1.4
127.14870	1.5
129.07042	2.0
130.07835	1.1
131.08597	2.1
132.58011	1.1
133.08626	15.5
133.10132	2.0
135.08150	1.1
135.11696	14.2
138.90187	1.0
141.16388	1.6
142.14159	1.0
143.08583	2.2
145.10127	10.1
147.10176	31.3
147.11531	1.9
149.13417	1.0
151.36389	1.0
158.47913	1.3
159.11751	1.4
163.11201	15.8
165.12802	1.3
177.11230	5.9
181.12221	2.0
191.12846	1.6
195.83971	1.0
197.22618	3.5
209.13351	1.2
209.94252	1.0
227.12808	21.4
237.22192	1.5
241.25383	1.7
283.15399	6.9
285.27899	6.8
311.25839	12.6
329.30585	2.6
341.21738	7.3
367.30661	1.2
371.85760	1.1
519.36859	31.9
537.43951	2.0
554.46454	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	554.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31691	1.0
55.05505	2.9
56.76133	0.9
57.07078	24.7
60.04525	11.7
67.05500	3.8
69.07090	4.7
70.72443	2.2
70.72810	1.7
71.08636	22.4
71.81063	1.1
73.06541	2.7
79.05479	3.2
81.07066	5.2
83.08608	3.7
85.10188	11.8
87.04459	4.6
89.06033	100.0
91.05474	1.6
93.07035	2.3
95.08588	3.5
97.10188	1.3
99.11741	2.1
105.07029	2.0
107.07061	1.3
107.08571	2.3
109.10151	2.0
116.07045	1.0
117.09109	0.9
119.08591	2.1
121.10120	1.3
127.14810	1.5
129.66240	1.0
130.08641	2.1
130.13031	0.9
133.08607	60.0
133.10159	1.7
135.11691	2.0
141.16333	1.3
142.07742	1.1
145.10187	1.3
155.18002	1.0
163.11256	1.1
177.11226	21.5
195.12300	2.1
196.11661	1.2
211.24182	3.9
221.13835	4.4
227.12688	1.4
239.14880	4.1
256.26370	1.5
262.25357	2.6
276.84198	0.9
280.26459	1.8
283.17526	3.8
298.27332	2.8
311.25626	1.0
324.90710	1.1
327.20166	25.0
377.17120	1.2
392.20004	1.3
407.21939	1.1
419.17996	1.3
451.20776	1.1
466.23236	1.7
518.49274	2.2
519.36298	1.5
522.25848	1.4
523.26044	1.2
536.50354	8.6
537.43597	3.9
554.28723	19.4
554.51422	2.3
555.25946	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	554.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.1
53.48424	3.2
55.01865	4.8
55.05281	2.9
55.05517	32.4
57.03426	8.8
57.07082	21.4
59.04989	4.6
66.35522	3.0
67.05508	18.2
69.07072	39.6
71.04994	3.2
71.08636	20.6
79.05503	17.8
81.07054	18.1
83.04951	4.9
83.08621	41.2
85.10169	10.0
89.06043	28.5
91.05476	9.3
93.07062	32.2
95.08611	36.3
97.02894	5.0
97.06509	4.9
97.10166	18.9
105.07034	11.1
107.04953	6.4
107.08624	20.5
109.10143	3.2
111.11705	5.4
117.07014	9.5
119.08586	6.4
121.10159	16.4
125.06059	3.1
133.08624	17.4
133.10104	4.6
135.11707	45.9
145.10168	24.0
163.11197	48.8
177.11238	5.2
181.12224	8.8
183.51190	3.0
220.03159	3.5
227.12788	76.6
227.14978	6.4
237.22057	4.1
283.15341	40.7
311.25815	100.0
327.19888	4.1
518.83545	3.6
519.36841	97.2
535.60706	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	554.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.6
56.63009	0.5
57.07079	34.5
59.05003	16.3
67.05509	0.7
69.07074	4.5
69.69955	3.1
71.08636	33.7
73.06558	6.8
78.23376	0.5
81.07047	0.9
83.08631	4.0
85.10192	18.6
85.10661	0.7
87.03948	0.7
87.04480	19.3
89.06036	48.6
94.88968	0.6
97.10168	4.4
97.10725	0.6
99.11722	2.7
103.03948	100.0
103.07587	20.6
107.07063	1.0
111.11706	3.2
113.13283	2.4
117.09144	4.7
119.07059	2.2
121.08621	2.1
123.11716	0.6
125.13276	2.1
127.14864	1.6
130.08614	0.7
131.07076	4.9
133.08609	16.0
141.16394	1.7
143.39838	0.5
144.06635	0.6
147.06535	9.8
147.10184	6.9
155.17955	0.6
161.11790	0.7
163.09598	2.8
165.51306	0.6
175.09691	2.5
177.11198	6.5
191.09138	4.6
191.12886	1.2
197.22612	2.7
207.12299	4.8
209.13831	3.1
219.12260	0.8
221.13797	0.9
225.60573	0.7
235.11787	6.0
235.21255	0.5
239.15007	1.0
241.25308	1.9
251.14798	0.9
278.15417	0.6
279.14563	0.6
285.27890	5.9
295.17615	3.6
313.18637	1.0
315.29541	0.6
329.30432	4.1
329.73370	0.6
341.18033	4.5
342.98132	0.6
353.68396	0.6
386.19794	0.6
473.09583	0.6
479.39404	0.6
537.40118	3.3
554.43036	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50953	3.5
53.03945	9.2
55.01872	6.9
55.05507	13.4
56.30733	4.5
67.05518	35.1
69.03453	19.5
69.07082	19.6
69.95250	8.5
69.95663	12.2
79.05499	37.6
81.03419	14.8
81.07063	100.0
83.08622	8.8
85.02905	40.0
86.09715	4.3
87.00838	12.0
91.05491	28.6
93.07046	68.4
95.08062	6.3
95.08616	68.8
97.02888	18.9
97.10173	3.7
99.04439	6.2
99.51747	4.0
105.01868	11.2
105.07040	50.8
107.08608	89.1
109.02866	17.8
109.10169	69.1
117.07016	5.6
119.08600	53.2
121.10148	68.0
123.11739	17.8
127.03913	27.7
130.40556	3.5
131.08575	12.7
133.10201	19.0
135.11700	24.9
137.13309	4.6
145.04999	14.6
145.10130	22.6
147.11687	24.5
149.13271	23.3
157.27042	3.8
159.02892	11.4
159.11742	24.9
161.13350	22.4
161.55638	4.2
163.14845	20.8
173.13316	7.5
175.14861	11.9
177.16422	22.3
184.07349	5.6
189.16434	5.2
201.16426	11.5
215.17998	24.2
231.04752	4.1
271.24100	22.8
334.98886	4.5
385.26645	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	554.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75256	0.2
52.44640	0.3
54.62243	0.2
55.05507	0.6
59.05024	0.3
67.05507	1.0
68.05020	0.4
69.07054	0.3
70.06599	62.2
70.72495	0.5
76.46628	0.2
79.05501	0.8
81.03428	0.3
81.07064	0.9
81.47282	0.2
83.08616	0.4
93.07034	0.5
95.08629	0.6
107.08577	0.4
109.10174	0.5
116.07103	100.0
117.07461	0.3
136.35738	0.2
153.96704	0.3
159.49957	0.2
215.82687	0.3
554.35956	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.1
55.05513	15.9
58.08529	2.2
61.04790	2.7
65.03939	4.1
67.05502	35.4
67.69724	2.6
69.03421	13.0
69.07079	16.6
71.29875	3.3
79.05501	33.6
81.03423	12.6
81.07064	100.0
83.08609	5.5
85.02916	41.5
86.09729	2.5
87.00834	16.6
91.05481	29.7
93.07050	69.4
95.04967	3.7
95.08615	73.3
97.02895	12.1
97.10184	5.8
99.04452	8.3
105.01879	10.0
105.06404	4.4
105.07042	49.0
107.08598	81.8
108.04474	3.0
109.02898	11.7
109.10159	56.0
117.06982	5.0
119.07803	4.5
119.08587	50.1
121.10155	56.9
123.11717	16.7
127.03922	24.8
131.08575	7.2
131.23547	2.7
131.70554	2.3
133.10158	19.9
135.11714	24.3
145.04965	12.2
145.10175	15.4
147.11713	22.9
148.32417	2.7
149.13277	34.2
154.42630	2.9
155.08360	2.3
159.02910	10.5
159.11703	16.6
161.13287	22.3
163.14842	19.8
173.13246	8.0
175.14793	13.2
177.16443	21.3
178.72546	2.5
184.07350	4.2
187.14873	8.7
189.16438	7.2
201.16379	9.7
203.17937	4.2
211.77011	2.9
215.17982	24.2
216.87430	2.3
231.05028	5.0
265.07605	2.7
271.24255	26.7
276.41913	2.8
328.87436	2.4
504.14813	2.9
583.48413	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	553.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.4
55.05517	9.6
57.07079	3.0
65.03960	2.4
67.05514	24.0
69.03431	8.5
69.07069	12.1
70.06524	5.9
71.04998	3.3
79.05495	28.6
81.03412	7.4
81.07064	100.0
83.08627	4.4
85.02921	7.2
85.06551	2.3
87.00838	4.8
91.05486	13.9
93.07057	41.6
95.04968	4.9
95.08617	63.5
97.02892	12.6
97.06559	2.4
97.10181	3.6
98.21497	1.6
99.04469	2.9
105.07040	23.4
107.08607	35.9
109.02895	4.0
109.06517	9.9
109.10168	24.7
110.98385	1.4
111.08099	5.1
117.07016	3.2
119.08582	19.3
121.10155	31.8
123.08085	2.3
123.11697	9.1
127.03958	7.4
131.08588	14.1
133.10141	14.3
133.96851	1.5
135.08115	1.8
135.11702	15.7
137.09637	4.0
137.13268	2.8
143.08540	4.2
145.04982	4.3
145.10115	15.1
147.11699	13.3
149.09634	2.6
149.13274	24.0
151.11185	6.3
156.09311	1.6
157.10153	7.1
159.11703	17.2
161.13278	9.7
163.14835	7.3
165.12735	2.1
171.11758	4.3
173.13268	10.6
175.14841	6.1
177.16429	6.5
185.13339	3.8
187.14854	9.8
189.16386	4.9
193.15948	1.6
199.14853	7.7
201.16382	5.4
203.18022	3.4
205.15878	12.9
213.16350	11.8
227.17958	2.4
229.19540	2.2
231.05089	2.1
231.17409	2.0
247.78278	1.4
269.22650	19.5
287.23669	13.4
381.64929	1.5
452.91156	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	553.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37926	1.7
53.03946	2.7
55.05510	14.7
57.03416	5.3
57.07086	2.1
60.08161	4.8
62.03902	1.9
67.05511	23.7
68.98243	2.1
69.03435	4.1
69.07079	11.9
70.04769	6.2
70.05187	3.5
71.01339	2.4
71.07378	3.1
73.02918	4.8
79.05499	11.7
81.07064	39.1
83.08619	5.5
85.02922	12.8
86.09714	23.8
87.10021	6.1
91.05497	10.1
93.07046	30.2
95.01331	14.7
95.04973	6.4
95.08614	34.2
96.97556	1.9
97.06483	2.4
97.10168	5.7
98.98495	1.9
104.10758	6.4
105.07034	33.0
107.08606	36.1
109.06535	1.9
109.10166	36.6
113.02367	6.0
115.36964	2.0
116.64101	2.0
117.06992	5.3
119.08594	37.6
121.10145	26.2
123.08078	4.5
123.11700	6.5
125.00027	17.0
125.09615	5.3
131.08591	14.9
133.10153	20.9
135.08058	4.7
135.11719	15.8
137.09624	4.1
138.46671	1.9
141.01833	19.0
142.07773	2.9
143.08597	4.0
144.09402	2.0
145.10136	31.9
147.11711	23.9
149.09592	3.3
149.13287	29.9
153.38632	1.8
155.08545	5.7
157.10117	12.3
158.10913	3.0
159.02904	2.7
159.11707	40.7
161.09703	2.5
161.13275	24.8
163.11229	2.1
163.14856	10.8
169.10112	11.7
171.11745	8.3
173.09656	4.9
173.13286	42.3
175.11185	5.5
175.14867	19.8
177.12822	4.6
182.10956	2.4
183.11671	6.3
184.07346	74.8
185.07741	15.8
185.13306	4.2
187.14839	95.2
189.12741	6.7
189.16373	10.6
197.13245	10.6
199.14833	5.2
201.12683	2.9
201.16368	19.9
203.14322	4.8
203.17960	18.5
211.14828	10.8
213.16371	3.4
215.14304	9.4
215.17908	6.9
217.15860	2.8
225.16435	5.6
227.17947	13.7
229.15871	5.1
229.19542	81.9
235.82967	2.1
257.22668	100.0
267.21115	24.4
272.92035	2.2
285.22159	71.5
303.23294	6.1
377.26819	19.2
461.25162	2.4
553.32947	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	553.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.3
55.01859	7.4
55.05511	14.8
57.07073	7.4
65.03947	4.7
67.05511	49.4
67.98721	2.7
69.03444	19.1
69.07080	23.8
71.05005	6.1
71.50500	4.4
73.02907	3.0
75.02730	3.4
79.05496	32.6
81.03413	11.9
81.06589	6.3
81.07062	100.0
83.04972	7.3
83.08617	7.9
84.08179	4.0
84.56510	2.6
85.02911	33.4
85.06529	3.6
87.00821	10.8
91.05482	32.0
93.07048	58.1
95.05000	4.3
95.08620	52.2
97.02864	17.9
97.06534	7.2
99.04466	3.2
105.01868	8.2
105.07042	45.6
107.08608	62.7
109.02919	14.5
109.06528	3.1
109.10167	81.6
117.07024	9.6
119.08590	73.9
121.10144	28.1
123.08051	5.7
123.11720	11.2
125.09650	5.4
127.03919	15.8
129.06989	5.5
130.53081	2.9
131.08594	18.9
133.10149	23.6
135.11710	47.2
137.09613	7.6
137.13235	5.1
139.11227	7.2
143.08600	15.4
144.09253	3.7
145.04997	7.8
145.10126	36.7
147.11702	19.7
149.13251	18.7
151.11154	3.3
157.10155	33.9
159.03032	3.3
159.11705	46.3
161.13329	14.5
163.11234	5.0
163.14809	4.6
165.12761	7.2
171.11754	17.2
173.13281	16.7
175.14883	11.1
177.12805	4.3
185.13223	9.4
187.14856	13.4
189.16432	6.8
193.15875	5.1
197.13229	3.1
199.14793	12.1
201.16495	5.0
203.17986	3.4
213.16432	52.2
219.17430	5.0
227.18002	3.6
229.19559	7.0
231.04951	3.4
243.33870	2.7
269.22638	32.2
270.58206	3.7
287.23639	18.6
305.24847	7.6
449.52942	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	553.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
55.05508	16.3
57.03427	4.6
57.07060	1.7
65.03934	2.0
67.05505	21.7
69.03447	2.9
69.07072	13.5
71.01334	2.5
71.08636	1.3
73.02917	4.6
75.16206	1.2
79.05489	14.4
81.07059	43.8
83.04997	2.0
83.08611	4.5
84.04423	1.4
85.02906	14.3
85.06536	1.5
88.80353	1.5
91.05491	12.8
93.06480	2.5
93.07046	35.5
95.01333	9.5
95.04954	8.4
95.08607	41.9
97.06547	2.5
97.10162	6.9
97.49570	1.2
98.20756	3.0
103.03931	1.5
105.07031	31.9
107.08597	39.9
109.06541	2.7
109.10159	35.0
111.08099	1.8
113.02366	5.4
115.13538	1.3
117.07029	4.1
117.73418	1.2
119.08582	40.8
120.65179	1.2
121.06567	1.4
121.10149	26.4
123.08063	5.5
123.11714	5.9
125.09624	4.8
128.06221	1.2
129.07013	2.3
130.07802	1.7
131.03407	2.0
131.08559	18.0
133.10146	24.7
135.08041	2.9
135.11694	17.2
137.09634	2.0
139.07523	1.7
141.01837	13.2
141.09102	1.2
142.07829	2.0
143.08571	6.9
143.09564	1.2
144.09332	2.9
145.10123	28.4
147.11699	24.3
149.09589	2.3
149.13263	28.8
155.08578	3.6
157.10138	12.0
158.10986	3.2
159.02882	1.8
159.08084	1.7
159.11697	47.6
160.12450	1.5
161.09610	4.6
161.13268	25.1
163.11131	2.9
163.14821	13.2
169.08701	2.5
169.10150	7.4
171.11711	10.7
172.12430	1.8
173.09634	3.6
173.13266	39.2
175.11186	4.0
175.14836	19.5
177.12756	2.4
177.16414	3.4
183.11694	4.5
185.13274	6.5
187.11226	3.1
187.14825	88.6
189.12762	5.8
189.16382	13.2
191.17958	4.2
196.12477	2.5
197.13251	9.8
199.14874	3.8
201.12668	1.5
201.16373	14.3
203.14261	1.8
203.17993	18.1
204.65352	1.2
205.15852	2.2
210.14091	1.6
211.14867	11.6
213.16411	2.9
215.14397	9.0
215.17928	6.5
225.16385	3.9
227.17934	17.4
229.16237	5.9
229.19516	92.8
243.17432	2.1
257.22647	100.0
258.22833	1.5
267.21088	25.6
285.22131	66.2
303.23206	8.5
359.25748	5.1
377.26956	17.1
415.08670	1.4
461.25278	2.7
548.36084	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2813
Annotation	Canthiumine
Peak:m/z	Relative Intensity
50.28786	0.2
53.85093	0.2
58.52322	0.3
67.05505	0.3
71.00841	0.3
71.01163	0.3
78.18493	0.2
81.07040	0.7
89.06020	0.3
91.05428	0.3
93.07050	0.4
95.08640	0.4
97.06514	0.3
104.89335	0.3
105.07022	0.4
145.10185	0.3
237.10181	0.3
240.67859	0.2
331.77878	0.2
338.16614	0.3
363.16180	1.4
375.16702	0.3
377.17621	4.1
378.18381	3.6
379.19086	0.9
390.18878	0.4
391.19247	3.9
392.19949	4.3
393.20764	10.0
393.25943	0.5
394.21219	0.4
405.20810	2.8
406.21603	3.2
407.14703	0.6
407.22348	10.6
419.22513	0.7
420.23062	1.4
421.16998	1.0
421.23856	8.7
422.17484	1.6
422.24258	0.2
423.18207	0.7
433.19864	1.5
435.18320	0.7
436.18961	1.9
437.19724	10.2
438.20364	0.8
447.22009	0.5
448.22440	2.0
450.20190	0.4
451.21344	15.1
452.21689	0.6
462.24640	0.4
463.21481	0.3
465.22845	2.6
466.23404	0.8
473.19861	0.4
477.20145	0.5
477.26633	5.2
479.24371	0.7
480.25269	1.7
488.21848	0.5
491.20563	0.4
493.26083	1.0
494.26917	0.4
503.24402	4.8
508.28305	0.8
509.21805	1.0
509.29050	6.3
523.23590	0.9
524.24377	2.8
525.24658	0.4
535.27057	5.8
538.25562	0.7
553.28125	100.0
554.28314	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	553.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.8
53.03931	2.3
55.05511	12.9
57.03445	3.6
57.07063	2.7
61.80956	1.6
65.03922	2.9
67.05507	51.3
69.03440	9.3
69.07079	11.2
70.02602	1.8
70.02892	8.0
71.45879	1.5
72.08144	1.9
79.05499	17.3
80.05987	1.5
81.07059	31.8
83.04967	3.6
83.08643	4.3
85.06557	4.7
86.09681	2.4
91.05490	20.8
93.07051	22.2
95.04989	7.3
95.08612	34.6
97.06555	10.3
99.08128	3.0
103.05500	1.9
105.07043	23.2
105.70518	1.8
107.08607	37.6
109.06541	15.3
109.10163	100.0
111.04460	2.2
111.08080	13.5
113.06036	3.3
115.05459	3.1
117.07007	5.4
119.06097	1.9
119.08584	20.8
121.06511	10.5
121.10124	18.0
123.08076	9.1
123.11718	18.5
125.06015	13.7
125.09631	16.5
128.06232	7.0
129.07016	8.2
131.08597	15.3
133.06450	3.1
133.10126	16.1
135.08057	7.0
135.11688	13.6
137.09618	24.1
137.13329	2.3
139.07544	6.2
139.11176	4.1
141.07007	4.1
141.09097	1.9
142.07800	3.3
143.08572	21.6
145.06537	4.1
145.10152	19.7
147.08064	7.0
147.11713	9.6
149.09654	4.4
149.13271	7.0
151.07478	2.3
151.11189	5.8
153.07019	4.6
153.09062	9.7
155.08598	12.6
155.10655	32.6
156.09419	3.1
157.10162	12.0
157.57227	1.7
159.08075	5.1
159.11693	12.9
161.09647	12.7
161.13245	3.6
163.11249	4.3
163.14832	2.3
165.07007	6.1
166.07809	2.1
167.08556	8.0
168.09351	3.2
169.10146	15.1
169.12279	2.8
170.10876	2.3
171.08061	33.9
171.11688	12.0
173.09636	6.6
173.13283	5.7
175.11214	9.0
175.14928	2.6
177.12767	4.3
178.07845	3.2
179.08629	8.3
180.09367	5.5
181.10123	16.8
182.10847	3.9
183.08075	3.4
183.11726	14.7
184.07346	6.1
184.08829	2.2
185.09639	6.4
185.13284	12.0
187.11209	3.8
187.14798	5.0
189.09158	2.7
189.12801	4.9
190.07726	2.2
191.08594	3.5
192.09331	2.1
193.10184	15.5
194.07285	2.1
194.10945	6.0
195.11702	17.2
196.08830	2.4
196.12488	2.2
197.09644	13.9
197.13303	8.7
199.11249	5.7
199.14807	4.2
201.12807	3.5
203.08562	1.8
203.14301	4.3
205.10167	22.3
206.10963	2.5
207.11696	8.7
208.08827	3.9
208.12500	1.9
209.09692	6.3
209.13290	11.1
210.10414	2.7
211.11212	15.9
211.14813	6.9
212.11937	1.8
213.12833	7.8
213.16449	4.4
215.10664	3.5
215.14249	3.3
217.10065	3.8
217.15883	2.0
218.10959	2.4
219.11728	8.8
220.12471	3.7
221.09663	21.7
221.13168	11.1
222.10367	2.7
222.13913	2.8
223.11261	10.9
223.14807	8.8
225.12755	4.5
225.16379	3.3
226.49962	1.8
227.14285	3.9
227.17874	3.5
230.10812	2.0
231.08125	2.3
231.11736	5.0
233.13269	7.2
233.15291	2.2
235.11169	4.4
235.14801	11.2
237.12749	6.4
237.16403	7.7
239.10652	4.0
239.14397	3.9
239.17928	3.1
241.12241	3.1
241.15869	3.4
245.13261	4.6
246.10406	4.8
247.11179	3.5
247.14868	6.1
248.11969	5.1
249.12851	8.2
249.16396	4.0
251.14322	7.0
251.18217	3.0
253.15877	5.5
255.17471	4.0
259.15015	2.8
261.12747	22.6
261.16254	2.6
262.13477	3.8
263.14282	22.8
263.17133	2.5
263.18124	2.7
264.15112	9.5
265.15894	21.4
265.18707	2.8
267.17490	6.1
271.14716	2.3
273.16284	2.3
275.14355	4.1
275.17728	1.9
277.15881	4.2
278.20203	2.0
279.13840	10.7
279.17191	2.4
279.80017	2.0
281.15378	7.8
281.18939	4.0
283.17035	8.2
283.20218	1.8
289.15924	6.2
291.17361	19.7
293.18964	3.3
295.16953	2.2
303.17288	3.1
305.18970	2.7
307.16904	5.1
307.20331	2.4
309.18509	11.3
317.19034	5.7
321.18448	1.7
324.77332	1.9
333.22101	3.9
345.25732	2.3
355.24426	1.8
361.11050	4.6
363.12674	3.4
363.27042	8.7
373.25308	7.4
381.13550	3.3
383.23813	5.6
389.14169	2.7
391.26447	12.1
393.24182	3.3
397.13144	3.5
401.24725	31.4
407.15204	2.7
409.27429	8.7
411.25186	2.0
419.25836	34.1
437.26804	17.5
455.28189	4.6
499.21841	3.7
517.22729	5.5
535.23645	4.3
558.11987	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
55.05521	6.4
55.58049	0.6
56.05025	3.1
57.07086	3.6
60.04530	3.6
65.03947	1.2
67.05506	12.6
68.05013	1.1
69.07072	7.6
70.06586	2.2
71.08617	1.1
78.74416	0.7
79.05506	11.4
80.05009	3.2
81.05802	1.7
81.07070	10.2
82.06190	0.8
82.06591	8.3
83.08621	5.1
85.10184	1.0
89.32442	0.7
91.05486	8.6
93.05791	0.7
93.07051	10.9
94.06033	1.3
94.06575	16.4
95.07352	8.1
95.07906	1.1
95.08015	0.9
95.08616	9.2
95.73710	0.6
96.08138	5.0
97.06503	0.8
97.10181	2.7
98.06095	0.8
103.08256	0.7
105.07047	6.4
107.08605	5.5
108.08106	3.5
109.10165	3.1
119.08615	5.0
121.10159	5.9
122.09650	2.4
123.11710	1.9
133.10120	3.7
135.11678	3.0
137.13208	0.8
147.11719	1.4
149.13235	1.1
151.14743	0.8
161.13258	1.1
233.22662	4.0
245.22722	3.7
250.25304	9.2
254.24776	1.4
260.23770	0.8
262.25320	100.0
272.25882	5.1
280.26376	10.4
307.80237	0.7
504.47900	2.8
516.47772	9.0
534.48969	3.5
557.57269	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	11.4
55.05530	11.3
56.49438	5.3
57.03439	10.1
57.07072	11.5
63.15673	5.0
63.41102	4.6
67.05513	45.0
69.07072	16.7
69.31544	40.6
70.06596	7.0
71.04997	19.9
71.08636	6.5
79.05508	18.4
81.07066	64.7
83.08622	12.0
87.04475	11.6
89.06023	10.0
91.05482	15.2
93.07036	23.5
95.08617	54.9
96.08112	6.5
97.10165	9.9
98.09708	23.4
105.07046	9.8
107.08620	11.0
108.08163	8.1
109.10184	8.4
119.08566	11.4
121.10157	8.4
122.06036	15.6
124.07599	15.5
125.09634	8.8
129.20625	4.9
133.10127	8.6
135.11713	7.7
136.07632	17.7
140.07068	13.5
145.10129	6.3
148.07605	14.2
149.08411	9.1
162.09178	6.8
165.12759	10.0
184.07375	6.1
206.05989	4.9
206.17577	5.2
210.26076	4.7
232.17068	7.7
250.18036	19.7
257.17453	47.8
260.16507	49.6
261.49014	4.6
268.19150	6.0
270.79782	4.5
278.17523	24.5
285.11444	5.4
296.18604	62.3
307.38544	5.5
309.15515	5.1
335.25824	35.7
415.43164	4.8
437.54956	5.6
517.39081	24.7
534.41541	100.0
552.40521	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	552.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06533	0.4
52.13594	0.4
55.05515	0.6
56.05024	1.7
56.05346	0.3
56.84926	0.4
57.03441	0.8
57.07085	2.8
58.06596	1.1
59.04993	0.9
60.08169	19.3
67.05502	1.3
69.07067	0.9
69.18810	3.7
69.19225	0.8
69.66486	0.4
71.07381	8.4
71.08633	1.9
74.20928	0.5
79.05486	0.7
79.32860	0.4
81.07062	1.4
83.05007	0.5
85.10180	1.0
86.09713	50.7
89.24470	0.4
93.07040	0.6
95.08627	1.3
98.98483	5.0
104.10753	100.0
105.07059	0.6
109.10159	0.6
115.04331	0.5
125.00016	26.2
142.26851	0.4
184.07355	98.5
199.03575	0.4
258.11139	1.2
369.33450	0.7
410.34341	0.4
534.39215	7.7
552.40277	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30913	2.0
51.02359	2.1
53.03962	3.1
55.05507	15.7
57.07070	10.1
59.04996	2.1
65.03946	3.6
67.05508	23.3
69.07078	16.3
71.08636	4.3
71.50877	3.9
79.05493	21.4
81.03423	2.7
81.07061	42.2
83.04971	2.0
83.08624	7.8
85.06555	3.7
88.58327	1.9
89.06037	2.9
90.01906	2.8
91.05485	35.5
93.07052	58.7
95.04965	5.3
95.08614	44.8
103.05440	4.1
105.07040	65.5
107.08598	51.5
109.10169	41.0
115.05453	6.0
117.07064	14.7
119.08591	100.0
121.10153	52.5
123.08112	2.3
123.11726	15.1
125.09639	2.3
128.06204	6.9
129.06995	9.2
130.07799	7.4
131.08575	25.8
133.10135	56.7
133.11108	3.9
135.11707	41.5
139.11214	3.0
139.96327	2.1
141.06999	5.9
142.07767	16.9
143.08565	21.4
144.09308	6.7
145.10141	59.7
147.11713	24.7
149.13269	5.0
151.14806	3.1
155.08545	11.0
156.09387	9.8
157.10132	36.8
158.10965	2.8
159.11697	35.3
161.09624	2.6
161.13237	10.6
163.11198	2.7
165.07022	2.7
167.08577	4.1
168.09396	3.1
169.10118	18.2
170.10915	4.2
171.11690	20.3
173.13297	22.7
175.14835	43.3
179.08542	5.5
180.09430	3.5
181.10115	13.0
182.10922	5.7
183.11716	16.8
184.12538	3.7
185.13290	18.1
186.14064	2.8
187.14880	16.2
187.64420	2.1
189.16420	5.0
192.09445	2.8
193.10193	7.3
193.15903	4.0
194.10921	5.9
195.11688	11.6
196.12439	4.8
197.13240	21.3
199.14851	11.5
199.71948	2.5
201.16426	12.9
206.10939	3.7
207.11703	4.6
208.12427	3.4
209.13258	16.7
211.14812	12.6
211.46582	2.3
213.16389	8.0
219.11693	4.0
219.17455	4.2
221.13232	8.3
223.14842	12.9
225.16385	7.0
233.13388	4.4
235.14822	4.7
237.16357	5.0
239.18030	3.6
241.19583	5.8
247.14774	4.1
249.16542	3.7
253.19807	3.1
261.16501	4.9
263.17990	5.3
265.19516	5.1
267.21109	5.7
275.18042	5.1
277.19492	3.7
279.21017	4.4
283.20566	2.4
285.21979	4.0
331.24188	3.1
333.25812	4.1
345.25928	4.7
459.35974	2.4
495.36499	2.5
508.36023	2.5
533.41248	5.2
551.25903	3.8
551.42487	36.2
551.50751	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	551.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57041	2.4
51.02384	2.3
53.03941	8.4
55.01865	8.3
55.05515	37.3
56.05030	2.3
57.03439	10.9
57.07081	3.6
58.73633	2.0
59.05005	6.9
65.03947	4.4
67.05510	100.0
68.85591	2.0
69.03429	3.6
69.07069	27.1
70.06568	2.3
70.95574	2.4
71.04980	9.0
71.50889	4.9
79.05495	66.2
81.03429	11.0
81.07058	62.7
83.04981	11.6
83.08624	16.9
85.02918	4.9
85.06551	5.8
91.05489	42.9
93.07049	62.8
95.04990	10.0
95.08057	3.8
95.08611	38.0
97.06549	10.5
97.10178	13.8
99.08109	4.1
105.07043	33.0
107.04977	4.2
107.08601	26.2
109.06525	6.6
109.10159	51.8
111.04414	2.7
111.08098	3.3
117.07012	14.6
119.08576	26.7
121.10146	36.8
123.08085	5.1
123.11754	4.3
125.09619	11.8
125.32134	2.2
129.07004	5.7
130.75777	2.5
131.07735	2.1
131.08585	16.2
133.10150	18.5
135.08069	6.5
135.11688	14.3
137.09624	6.8
139.11176	7.4
143.08490	5.2
145.10149	14.7
147.08090	2.5
147.11684	10.6
149.09631	9.6
149.13281	6.7
153.12764	3.4
157.10098	7.3
159.11700	11.6
163.11206	8.9
167.10780	2.4
171.11624	4.3
173.11703	7.4
173.13123	4.3
175.11270	3.4
181.12297	2.5
183.11624	2.4
185.13316	4.1
187.14793	4.4
191.10585	3.2
193.12254	5.2
197.13449	2.7
199.13350	3.0
203.12767	3.2
211.13278	8.2
215.18031	6.6
227.12801	6.8
229.14403	10.0
233.19028	7.6
245.14075	3.0
249.18544	4.4
269.16611	2.3
283.15366	2.7
301.16470	6.8
307.22845	11.8
335.22040	5.3
338.27664	3.2
406.52997	2.5
423.29117	2.9
441.51648	2.3
459.31021	4.5
461.32690	46.4
515.33813	9.5
532.14410	2.6
533.27246	3.3
533.34625	20.1
551.22974	5.0
551.35443	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	1.7
53.03947	6.7
55.01876	9.2
55.05517	30.1
57.03442	11.2
57.07076	5.9
59.04996	3.3
65.03939	6.3
67.05509	100.0
69.03426	3.2
69.07069	21.2
70.07692	3.2
70.08100	6.5
71.01393	2.2
71.04992	8.1
77.03963	1.7
79.05497	80.2
81.03429	9.8
81.07061	86.4
83.04975	13.6
83.08629	17.0
85.06549	7.5
91.05489	52.0
93.07048	78.4
95.04984	11.7
95.08610	47.7
95.09182	3.6
97.06538	15.0
97.10172	9.2
99.08106	4.2
105.07030	29.3
107.04967	17.2
107.08597	33.4
109.06528	3.5
109.10157	41.9
111.04450	10.1
111.08088	6.0
113.09636	2.0
115.11224	1.8
116.15431	2.0
117.07020	15.7
119.08595	28.8
121.06507	3.8
121.10143	47.3
123.08093	3.6
123.11694	10.7
125.09653	7.3
128.06219	3.6
129.07019	7.5
131.08574	22.7
133.10153	17.0
135.08031	2.6
135.11697	36.4
137.09641	5.6
137.13289	3.0
139.07588	2.3
139.11157	6.7
142.07773	2.2
143.08589	6.3
145.06476	3.2
145.10133	30.0
145.11191	3.3
147.07990	2.8
147.11736	13.0
149.09602	11.1
149.13257	11.5
151.11108	3.0
151.31119	2.1
153.12724	6.8
155.08582	3.9
157.10156	6.6
159.11703	9.4
161.09584	3.5
161.13297	5.5
163.11212	21.9
165.12828	2.5
167.10667	2.6
169.10069	2.2
171.11732	5.0
173.09642	12.7
173.11766	5.1
173.13290	10.0
175.11176	4.2
175.14839	2.1
177.12773	1.8
181.12248	11.0
183.11659	3.3
185.13245	2.7
187.11194	2.4
187.14766	2.7
189.16289	1.8
191.10686	17.3
193.12279	3.6
194.30756	1.8
197.13332	2.5
203.12782	2.3
205.19472	3.9
209.11768	8.0
211.13245	3.3
213.16440	3.7
215.17938	16.6
227.12817	12.6
229.14417	3.4
233.19006	27.0
245.13928	2.7
249.18422	3.7
251.20085	5.2
265.14362	12.2
283.15375	22.0
289.21652	4.5
301.16455	14.6
307.22711	24.8
335.22253	4.6
344.64282	2.0
395.29309	3.2
423.28714	5.1
441.29907	4.0
461.32675	25.5
487.34131	5.4
497.32755	4.4
510.43411	2.2
515.33673	17.8
533.34705	20.8
551.35632	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.322
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36489	5.0
53.03954	11.3
55.01869	10.2
55.05507	44.5
55.46659	5.3
57.03440	16.1
57.07067	11.0
59.05003	5.6
67.05508	100.0
69.03432	52.1
69.07067	28.7
69.15009	13.6
69.15401	53.9
71.04993	26.4
72.97664	5.0
73.02898	8.2
76.39622	5.1
79.05505	63.1
79.05936	10.0
81.03429	58.6
81.07054	94.9
83.04988	48.6
83.08613	21.1
85.02899	49.7
85.06550	7.1
91.05482	75.3
93.07050	70.6
95.04955	33.5
95.08611	78.2
97.02885	23.2
97.06533	19.5
97.10173	13.9
99.04482	31.0
105.07044	60.7
107.04961	11.1
107.08601	45.2
109.02893	19.8
109.06516	10.4
109.10139	29.2
111.04453	29.6
113.02020	5.9
113.06004	10.4
115.05460	7.2
117.07034	31.2
119.08568	50.8
121.06499	15.8
121.10136	26.5
123.08073	10.0
123.11705	13.8
127.03912	47.9
128.06268	9.3
129.05531	7.8
129.07034	30.7
131.08569	51.5
133.06517	9.6
133.10150	41.1
135.04411	7.4
135.08057	6.6
135.11719	22.2
137.05974	9.0
139.07559	7.1
141.06999	9.0
143.08571	32.0
145.06500	9.8
145.10110	43.9
147.08084	7.7
147.11696	24.7
149.09676	9.8
149.13248	8.7
155.08565	10.2
157.10141	22.8
159.08008	8.0
159.11736	24.8
161.13266	14.4
163.03868	13.8
163.11205	7.0
163.14902	6.9
167.08586	9.6
169.10184	11.1
171.11713	16.3
173.13281	15.4
175.11220	14.5
175.14859	9.5
183.11728	10.5
184.07333	7.6
185.09743	7.3
185.13240	13.1
187.11137	7.0
187.14822	9.2
193.10265	6.3
197.13202	11.8
199.11153	10.7
199.14789	11.2
201.12683	8.3
213.12807	7.4
219.55492	5.1
233.19067	6.3
251.20093	6.6
259.20624	9.4
266.27448	5.4
273.22083	7.4
285.22101	8.4
301.21686	7.8
313.21655	9.1
327.23083	8.1
331.22592	7.7
343.57352	5.8
345.24069	9.9
353.24741	13.8
369.24106	6.1
371.25824	32.4
389.27054	12.5
433.26129	7.1
497.29117	11.1
515.30029	23.4
533.30927	28.2
551.32483	26.8
551.39606	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	551.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.4
57.25432	0.2
67.05503	0.4
69.41307	1.3
70.06594	2.3
72.08163	1.0
76.92744	0.2
79.05494	0.6
81.03423	0.4
81.07044	0.8
83.04967	0.2
84.04487	0.5
84.08154	1.3
85.02884	0.4
86.09708	1.4
91.05473	0.3
93.07033	0.6
95.08593	0.6
97.02896	0.3
98.06075	0.2
105.07032	0.7
107.08615	0.4
119.08603	0.4
120.08096	0.6
127.03925	0.2
128.39787	0.2
129.10252	0.4
131.08598	0.3
133.10153	0.4
133.83929	0.2
137.05983	0.6
145.10097	0.2
159.11676	0.4
181.62904	0.2
236.05794	0.2
285.22400	0.2
377.50070	0.2
389.25085	10.1
508.35852	0.3
551.30389	100.0
552.30774	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98854	5.5
53.03936	13.8
54.40224	5.9
55.05502	25.7
57.03435	22.2
57.07068	5.8
57.95175	6.0
59.04975	8.1
60.08152	11.5
61.02916	10.6
65.03899	6.7
67.05507	51.1
68.99787	8.6
69.03444	39.3
69.07066	38.7
69.21626	18.5
69.22047	39.9
70.06586	13.1
71.04948	9.2
72.08144	13.0
73.02916	10.0
79.05502	36.6
81.03442	50.6
81.07065	100.0
83.04984	5.8
83.08609	18.6
84.08148	11.4
85.02914	59.9
86.09717	38.2
87.10050	10.8
89.06050	6.7
91.03985	9.9
91.05467	34.9
93.07045	83.8
95.04986	22.0
95.08615	76.1
97.02911	47.9
97.06529	6.5
97.10162	11.8
98.21133	30.7
99.04460	14.4
101.02391	68.2
103.03946	8.8
104.10745	59.8
105.07037	60.6
105.11072	14.1
107.04936	6.7
107.08595	85.8
109.02876	45.2
109.10160	60.4
110.10648	6.4
111.04460	7.0
117.07027	8.3
119.03427	82.6
119.08588	66.2
121.10141	54.3
121.74655	5.7
123.04449	7.4
123.08071	6.6
123.11701	21.6
125.00004	24.1
125.09627	8.2
127.03931	44.3
131.03423	8.0
131.08560	27.7
133.10149	31.9
135.11705	36.3
141.12018	6.2
142.07767	8.4
143.08554	12.9
145.04938	19.2
145.10138	44.2
147.11734	37.5
149.13274	33.7
157.10115	12.0
159.11726	32.4
161.04454	7.9
161.13255	23.3
163.11224	7.2
163.14812	20.0
165.09186	5.7
169.10132	9.7
173.04457	26.4
173.13251	18.2
175.14806	19.7
183.11726	7.7
184.07344	74.3
185.07722	14.5
187.14784	18.0
189.16376	17.3
199.14761	8.7
201.16364	19.9
203.17859	10.1
209.13297	8.3
215.17938	11.9
217.19370	8.0
229.19540	8.8
231.21078	14.1
246.53566	7.6
255.21304	6.0
261.82281	6.2
269.22516	13.1
271.24216	38.6
289.25235	10.8
406.80188	6.3
445.25256	6.3
477.15674	8.2
522.21436	6.0
533.31262	8.1
551.32025	27.2
554.39490	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	550.3872
Annotation	1-O-(cis-9-Octadecenyl)-2-O-acetyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05508	0.5
56.05036	0.6
58.96024	0.2
59.05017	0.2
60.08168	6.1
67.05504	0.4
69.07070	0.7
70.67051	0.2
71.07376	3.5
71.51659	0.2
74.93282	0.2
79.05512	0.2
81.03384	0.2
81.07070	0.7
83.08614	0.4
86.09709	29.3
95.08588	0.5
98.98466	3.1
99.04398	0.2
104.10757	3.1
107.08619	0.2
108.08900	0.2
125.00011	21.7
133.10156	0.2
135.11636	0.3
152.53284	0.2
158.84402	0.2
166.05556	0.2
184.07349	100.0
185.07745	0.3
258.11066	0.3
291.67865	0.2
464.98431	0.2
532.37775	1.1
550.38599	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	551.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30582	4.4
52.42386	4.4
53.03958	7.6
55.01875	7.7
55.05509	26.4
57.03435	12.1
61.02927	5.8
65.03944	6.9
67.05508	41.7
69.03431	17.8
69.07067	19.6
70.06606	51.1
71.01357	21.1
71.04996	6.1
71.49432	5.4
72.08150	15.4
73.02930	27.9
74.41305	4.7
79.05499	35.6
80.03614	4.2
81.03407	14.0
81.07069	76.6
83.08623	5.8
84.04491	10.5
84.08171	21.2
85.02910	56.1
85.06544	5.4
86.09695	22.7
88.65671	4.5
91.05488	45.4
93.07062	66.3
95.01341	18.6
95.04964	15.4
95.08622	83.1
97.02900	11.9
97.06547	11.4
97.10166	5.9
99.00824	8.5
101.02372	12.5
103.03926	12.0
103.05457	9.2
105.07045	94.3
107.08598	71.5
109.06540	5.6
109.10167	29.6
113.02377	19.5
117.07009	18.7
119.07817	6.6
119.08599	89.6
120.08096	10.7
121.06530	10.9
121.10181	48.3
123.08070	15.6
125.09600	6.5
129.06993	12.3
129.10245	12.9
130.07755	6.1
131.03435	11.8
131.08598	47.3
133.10158	51.2
135.08075	13.2
135.11700	22.0
137.05972	12.0
137.09622	10.3
137.28644	4.5
139.05231	4.4
141.01788	21.4
142.07768	8.6
143.08591	25.6
145.10144	90.6
147.04350	11.0
147.11700	66.3
147.39270	4.6
149.09584	11.2
149.13272	12.6
150.89890	4.6
151.11208	5.9
155.08586	7.6
156.09340	12.2
157.10165	33.5
159.02962	8.9
159.11711	95.5
161.09586	7.5
161.13286	36.3
163.11235	5.2
169.10127	11.1
170.10977	4.9
171.11714	35.6
173.09558	9.8
173.13258	65.6
175.11201	9.6
175.14836	9.1
181.10170	6.6
183.11740	10.2
184.07304	5.5
185.13319	27.7
187.11238	6.5
187.14841	45.0
189.12779	9.9
189.16423	15.8
193.10101	4.4
195.11568	7.2
197.13304	8.1
199.11102	7.7
199.14819	27.3
201.16418	82.5
202.17139	9.1
203.14482	8.9
209.13307	12.5
213.12704	5.7
213.16457	12.0
223.15013	8.1
225.16327	13.3
227.14272	15.0
227.17960	34.8
241.15930	5.8
255.21130	87.4
265.19528	23.5
269.92828	4.3
272.08176	4.4
283.20621	100.0
285.22275	10.8
301.21634	20.2
357.24219	10.0
365.05222	7.0
375.25354	96.3
427.07654	5.2
460.40930	4.5
551.18719	15.0
551.28571	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
55.01886	1.8
55.05514	13.6
57.03443	10.9
57.07075	3.2
59.01124	1.7
67.05183	2.4
67.05512	32.6
69.07064	8.0
70.05325	5.2
71.03023	1.8
79.05499	37.5
81.03474	1.6
81.07061	35.1
83.04964	1.8
83.08613	6.2
85.06521	2.0
86.09704	4.9
91.05492	15.4
93.06489	3.3
93.07048	47.5
95.04964	5.3
95.08070	3.2
95.08611	37.3
97.06524	5.0
99.04446	2.8
104.10760	8.7
105.07036	12.4
107.04956	4.1
107.08604	21.7
109.10167	8.6
111.08067	2.2
117.07026	7.5
119.08589	9.2
121.06494	3.4
121.10155	19.1
123.11789	2.1
125.00034	3.0
125.05944	2.1
131.08591	5.0
133.10135	7.3
135.08069	2.5
135.11702	33.6
139.07576	2.0
145.10143	16.0
149.13342	2.7
159.11729	2.0
163.11176	32.1
173.66087	1.8
181.12198	5.4
184.07379	11.9
197.11662	1.7
215.17995	5.5
227.12782	52.6
233.19177	3.9
251.33395	1.7
283.15399	36.2
307.22693	100.0
371.20575	1.7
515.33765	39.1
550.37988	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01155	1.0
53.03946	1.2
55.01868	2.5
55.05299	1.0
55.05518	9.7
57.03439	4.5
57.07061	3.4
58.48575	1.0
59.04987	1.3
67.05509	13.5
69.03420	2.6
69.07075	15.9
69.34179	0.9
70.06606	1.6
71.04998	1.8
71.08636	14.8
71.50285	1.0
72.08136	1.2
78.55816	1.0
78.77204	0.9
79.05504	9.2
80.47311	0.8
81.07062	25.9
83.04996	2.2
83.08643	4.6
83.09065	1.1
85.02868	1.1
85.06519	1.4
91.05481	7.9
91.64516	0.9
93.07047	15.1
95.04987	7.5
95.08619	18.7
96.08166	0.9
97.06550	5.5
97.10134	1.9
98.98473	4.5
99.08103	9.3
105.07031	13.6
107.04958	1.0
107.08595	9.6
109.06518	20.2
109.10162	8.5
111.04474	1.2
117.07021	1.6
119.08579	12.2
121.06516	8.2
121.10130	8.9
123.08114	2.7
123.11700	3.6
131.08586	7.2
133.10150	7.6
135.08043	5.0
135.11684	4.6
137.09625	2.0
139.11192	2.9
143.08612	2.3
145.10152	6.6
147.11682	4.4
149.09583	2.5
149.13258	3.1
151.11159	0.9
157.10100	1.0
159.11697	3.1
161.13266	4.4
163.11191	5.1
165.12769	38.6
173.13223	2.7
177.12772	3.2
179.14319	2.7
189.12837	1.1
189.16325	1.1
191.14348	4.1
198.05264	1.3
201.16403	1.1
209.19023	7.9
215.77855	1.0
216.06392	2.5
219.17262	1.5
221.15279	1.1
233.18855	1.5
237.18652	1.0
261.18637	1.4
265.02026	1.2
275.20102	3.2
279.19461	1.1
289.25311	13.6
307.26392	2.6
317.24771	33.1
335.25803	24.1
347.25790	5.4
355.25916	1.2
360.28900	2.5
361.27185	1.5
373.27417	9.3
391.28436	100.0
392.28784	1.1
409.24097	2.1
409.29504	38.0
489.25937	4.2
514.29694	1.2
532.30347	2.0
550.34839	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24382	0.2
54.28979	0.2
55.05512	0.4
56.05039	0.6
58.06603	0.4
60.08172	6.5
67.05499	0.6
69.07072	0.4
70.06624	0.3
71.07381	2.6
71.50558	0.3
72.08157	0.2
74.02435	0.3
74.06432	0.2
74.30261	0.2
79.05507	0.8
80.05029	3.9
81.03429	0.3
81.07069	0.7
84.08115	0.2
86.09715	31.8
91.05498	0.6
93.07047	0.5
95.04955	0.3
98.98477	3.4
104.10755	5.5
105.07085	0.5
109.10194	0.4
110.41592	0.2
117.06959	0.2
119.08570	0.3
125.00018	21.3
133.10100	0.3
134.04523	0.4
184.07358	100.0
185.07729	0.4
196.43922	0.2
258.11069	0.4
267.15665	0.2
368.32632	0.3
464.28323	0.2
532.30005	1.2
550.31134	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	550.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.7
55.05518	14.5
56.05032	4.7
58.99591	22.2
67.05518	9.7
67.06945	1.8
69.03432	3.4
69.07066	7.2
69.20424	8.8
69.20847	8.7
70.06593	25.0
71.05015	3.0
71.06955	2.7
72.08170	15.7
74.00690	3.8
76.02234	100.0
76.03995	2.8
76.20422	2.1
79.05499	8.5
80.05010	2.4
81.03434	4.6
81.07054	7.3
83.06110	9.1
83.08620	8.5
84.04513	23.3
84.08141	13.1
85.01133	5.7
85.02906	6.9
86.00643	5.6
86.09708	17.8
86.99055	4.7
87.04433	2.1
88.02198	6.7
91.05483	10.5
93.07056	9.4
93.44688	2.3
95.04980	3.2
95.08591	6.7
97.01100	4.2
97.02890	8.5
97.06540	6.6
97.10181	10.9
97.10701	2.0
98.06010	2.7
102.05553	4.2
105.07040	8.2
107.04962	8.8
107.08607	11.3
109.02895	24.8
109.06503	2.5
109.10159	4.8
110.07172	3.2
110.99026	7.4
111.02692	4.5
111.08068	7.1
112.03965	3.2
113.00626	4.0
114.00127	30.7
116.01689	25.0
117.07044	2.4
119.08586	5.5
120.08133	13.6
122.06071	1.9
123.02641	1.8
123.04409	3.8
124.02141	2.5
125.09642	9.4
129.06639	7.7
129.10239	9.5
130.05013	10.9
133.04323	6.9
133.06477	3.1
133.10124	14.9
136.07597	3.4
137.06004	3.3
138.00104	4.6
140.01628	2.8
142.03241	9.6
143.02762	6.7
143.08572	5.7
144.01152	13.3
146.73866	1.8
147.04381	1.9
151.11201	2.7
153.06720	3.3
153.09116	4.7
156.01131	23.8
158.08099	2.7
161.09648	17.6
162.02209	35.8
165.12796	2.2
170.02744	5.6
170.11807	3.8
171.08040	7.3
176.09215	2.0
177.03287	2.2
179.04875	37.1
179.10683	8.7
185.03796	4.7
187.05403	11.7
189.03320	4.1
189.09108	21.5
189.11156	5.1
191.08829	3.7
207.10188	10.2
207.13852	3.1
213.03299	14.0
219.08391	3.6
225.11235	41.9
225.14771	3.6
229.06833	3.6
229.08961	44.3
231.04372	3.8
233.05905	11.9
236.11095	2.6
237.09488	7.8
241.02882	3.5
245.05830	2.7
254.12111	4.7
257.08392	3.5
259.03833	3.3
264.10541	9.2
275.09399	3.0
282.11627	24.9
300.12650	21.9
308.08868	3.4
310.11176	11.4
318.13708	57.7
328.12250	11.5
339.13760	36.7
339.17639	3.5
357.14810	22.6
367.13196	23.8
368.11484	3.7
385.14255	22.6
403.15323	78.0
421.16367	48.5
457.16534	4.6
475.17380	23.6
491.28607	3.5
532.19318	4.3
532.43683	2.3
533.18274	3.0
550.20648	21.8
550.29010	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
55.01864	4.8
55.05513	13.6
56.05026	4.1
57.98805	2.2
58.99591	26.1
60.04511	1.4
63.93637	1.6
67.05511	10.3
69.03428	3.6
69.07059	5.5
70.02962	1.4
70.06593	18.6
71.04991	3.5
72.08167	17.3
73.02898	2.2
74.00679	3.3
76.02232	100.0
76.03995	4.1
79.05498	8.3
80.05022	2.3
81.03416	5.2
81.07063	9.9
83.04972	2.0
83.06121	8.5
83.08624	10.7
84.04507	25.8
84.08149	13.4
85.01133	6.0
85.02906	4.0
85.06549	2.1
86.00649	7.8
86.06102	1.3
86.09709	24.4
86.99065	5.7
87.04473	24.6
87.05592	3.3
88.02219	5.7
89.06044	7.4
90.05539	2.6
91.05512	9.4
93.07040	10.3
95.04977	4.3
95.08598	5.7
96.04476	2.4
97.01118	5.2
97.02891	4.8
97.06510	4.0
97.10178	12.0
98.00621	2.6
98.06029	2.0
99.00801	3.2
99.05576	1.7
102.05557	3.6
103.05464	3.0
105.07052	9.3
107.04964	11.6
107.08608	6.3
108.04457	1.6
109.02891	28.7
109.10130	2.9
110.07175	4.0
110.99036	9.8
111.02634	4.1
111.04385	1.5
111.08085	8.6
112.04023	2.1
113.00595	3.2
113.05997	3.3
114.00130	31.5
114.03754	2.8
114.05516	1.6
116.01696	24.5
117.06998	3.0
119.04987	2.7
119.08578	5.3
120.08109	14.4
121.06486	3.0
121.08449	2.0
123.02677	2.2
123.04409	2.5
123.08059	2.3
124.02194	2.0
125.09635	10.8
129.06541	7.5
129.10252	11.6
130.04997	9.5
131.08556	2.5
133.04312	4.4
133.06502	2.5
133.08630	3.8
133.10146	14.8
135.08073	3.6
136.07599	6.0
137.04187	2.1
137.05949	2.3
138.00101	4.3
140.01645	4.5
141.00049	2.7
141.04814	2.3
142.03232	8.7
143.02756	5.2
143.08554	4.8
144.01143	12.5
145.06306	2.3
147.07993	1.9
149.09729	1.5
151.11130	2.8
153.06630	1.5
153.09094	5.4
156.01158	24.0
161.09622	18.7
162.02217	29.9
170.02766	4.4
170.11780	5.9
171.07993	8.7
177.68105	1.5
179.04857	39.8
179.10674	8.2
181.06186	2.8
185.03831	2.7
187.05417	8.9
187.07318	1.7
189.03358	5.4
189.09128	18.7
189.11205	5.4
191.08897	5.0
206.11798	1.8
207.10162	10.5
207.33424	1.6
211.07875	2.4
213.03294	8.6
215.04820	2.0
219.08397	1.7
225.09050	2.3
225.11232	35.1
227.04944	1.6
229.08952	57.4
231.04422	1.9
233.05917	14.5
236.11046	4.2
237.09460	7.9
239.07375	2.6
241.02878	5.0
245.05971	3.8
254.12061	8.1
257.08307	2.6
259.03873	3.9
264.10553	10.7
275.09460	5.6
282.11612	27.2
300.12643	21.3
308.09323	2.5
310.11090	21.1
318.13721	49.9
321.12540	2.5
324.12753	2.1
328.12161	11.4
339.13730	17.2
349.12149	1.6
357.14630	7.1
367.13223	24.8
368.11670	3.1
385.14282	24.0
388.13995	2.6
403.15381	94.9
404.15726	1.7
421.16455	47.7
457.16284	2.9
475.17484	20.3
487.17520	2.8
532.19318	3.2
533.17816	2.1
548.51520	1.5
550.20508	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	549.379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.1
54.08827	3.1
55.01879	7.9
55.05516	36.1
55.82363	3.5
57.03442	14.7
57.07082	8.3
58.27988	3.9
59.05016	5.1
65.03938	4.7
67.05510	77.3
67.99375	4.1
69.07074	28.4
69.73039	21.6
71.04992	14.2
72.90855	3.2
72.91267	2.9
79.05502	65.2
81.03427	20.5
81.07062	100.0
83.04986	6.2
83.08627	18.8
84.31651	3.0
85.02923	6.0
85.06538	7.1
91.05484	63.9
93.07050	70.8
95.04951	19.1
95.08614	61.1
96.08953	3.3
97.06560	16.9
97.10188	20.4
99.08122	3.2
102.05564	4.0
105.07036	60.7
107.08591	43.9
109.06564	6.0
109.10153	33.6
111.08077	9.1
115.05408	3.9
117.07026	24.3
119.08601	42.8
121.06484	7.5
121.10163	42.4
123.08112	4.0
123.11725	14.0
125.09657	14.0
127.50891	3.5
129.07030	19.1
131.08577	37.3
133.10153	45.4
135.08032	6.0
135.11714	22.9
141.07042	4.9
142.07829	7.3
143.08545	22.0
145.10149	31.6
147.11707	26.1
149.09644	10.5
149.13310	9.5
155.08583	8.0
156.09418	5.1
157.10138	23.5
159.11705	28.0
161.09662	6.1
161.13280	15.9
163.11227	5.2
165.12775	3.7
167.08530	5.3
169.10132	12.1
171.11742	19.8
173.13307	17.6
175.11256	4.9
175.14882	16.4
177.12804	4.9
183.11763	12.0
185.13319	8.5
187.14787	7.3
189.11223	8.0
193.10294	4.1
193.12283	7.7
195.11754	6.4
197.13286	8.5
199.13165	3.5
199.14877	10.7
204.33809	3.5
209.13306	8.4
211.14891	4.7
213.16370	3.9
215.17993	12.1
221.13303	4.3
223.15021	5.3
225.16473	4.3
227.12846	6.7
241.19562	4.1
246.22888	7.8
251.17862	4.0
255.20967	3.7
257.13797	3.6
259.33932	3.7
263.23807	4.1
264.24112	7.7
267.15903	21.4
273.22089	5.2
275.17862	4.3
307.22849	16.6
335.22305	4.8
338.27985	6.5
389.28418	7.5
407.29315	16.4
425.30527	11.4
443.31665	6.3
481.33063	5.7
499.34219	45.5
517.35156	30.1
530.31927	3.6
531.38123	5.7
549.41180	27.2
560.59277	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	549.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.1
55.01867	9.5
55.05523	17.2
57.03432	9.9
57.07070	4.1
59.05013	2.6
65.03932	4.0
67.05180	3.6
67.05513	50.5
68.89661	2.2
69.03415	3.6
69.07063	9.9
69.59013	15.5
71.04980	5.8
79.05070	3.9
79.05501	54.7
81.03411	5.8
81.07062	52.3
83.04989	18.2
83.08628	11.7
85.06545	5.2
86.09708	3.7
91.05486	63.3
91.06028	4.3
93.07047	54.9
95.04991	13.2
95.08601	24.6
97.06543	11.8
97.10134	3.2
98.20774	4.4
98.21397	3.8
99.04433	5.0
105.07039	73.9
107.04964	21.7
107.08606	34.0
109.06534	5.4
109.10190	13.0
111.04430	13.8
111.08093	6.2
115.05479	3.6
117.07030	23.4
119.08600	68.7
121.06480	4.4
121.10155	36.4
123.11732	2.3
128.06242	4.6
129.05496	3.3
129.07016	17.2
131.08582	34.6
133.10146	80.2
135.08061	5.3
135.11707	26.8
141.06998	3.8
142.07831	3.9
143.08574	15.6
145.10135	51.0
147.08064	6.3
147.11700	61.7
149.09639	6.6
149.13223	3.2
151.11162	4.2
153.12794	3.8
155.06134	2.6
155.08580	6.1
156.09378	2.5
157.10130	17.6
159.11690	12.3
161.09680	6.0
161.13232	6.9
163.11165	24.9
169.10193	2.4
171.11693	28.3
173.09650	10.2
173.13295	7.2
175.11252	5.0
175.14890	3.4
181.12268	10.1
185.13293	8.8
187.14876	11.8
189.12828	5.5
189.16423	14.5
191.10704	18.2
203.17943	19.3
209.11688	5.8
211.14850	3.2
212.79236	2.4
213.16397	72.9
215.17992	5.4
225.11246	2.6
227.12854	11.7
229.15845	4.4
231.17458	100.0
247.17058	3.6
249.18486	3.6
255.47812	2.9
265.14365	12.1
283.15488	27.3
287.20169	3.9
299.14905	5.7
301.16461	33.7
305.21039	29.8
307.22733	5.5
330.36172	2.3
393.27982	3.2
411.28879	3.1
421.27615	5.3
439.28610	3.2
485.32651	8.2
487.33994	2.8
495.31113	4.9
513.32233	13.7
531.33344	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	549.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57721	2.8
51.18148	3.1
52.93036	3.2
53.00301	4.0
53.03933	8.9
55.01879	7.8
55.05515	63.1
57.07079	7.4
59.04999	6.8
65.03963	5.4
67.05511	94.7
69.03433	4.1
69.07074	24.2
69.07689	3.3
69.52403	17.3
71.04983	7.1
79.05500	69.5
81.03432	5.4
81.07067	100.0
82.77766	2.7
83.04971	8.7
83.07632	2.8
83.08632	35.3
85.06519	3.6
91.05491	61.6
93.07051	75.4
95.04965	7.7
95.08615	63.8
97.02918	3.1
97.06535	5.7
97.10175	38.4
98.18051	3.5
99.00822	9.2
103.05501	3.2
105.07037	51.2
107.04939	11.7
107.08608	53.4
109.02892	16.9
109.06558	7.0
109.10168	38.4
111.04433	7.0
111.08082	8.9
111.46632	2.9
117.07024	21.4
119.08589	39.1
121.06523	5.2
121.10154	45.5
121.86760	2.8
123.08073	3.7
123.11743	16.6
125.09653	25.7
128.06255	5.3
129.06978	14.6
131.08568	31.2
133.10141	54.6
133.11095	4.2
135.08061	7.8
135.11699	40.5
137.13268	6.2
141.07079	4.8
142.07835	3.8
143.08569	21.5
145.10139	35.8
147.11710	22.6
149.09656	8.9
149.13297	17.7
151.11215	6.5
155.08531	6.6
157.10144	12.5
159.08075	4.6
159.11719	25.3
161.09647	28.7
161.13297	9.2
163.11223	10.8
167.08612	3.8
169.10191	9.6
171.08086	7.2
171.11726	15.0
173.13283	12.4
179.10678	3.8
181.12279	7.3
183.11720	13.3
184.07405	6.4
185.13274	9.7
187.11172	4.7
187.14795	7.8
189.09163	8.8
189.11238	17.7
189.16385	5.0
195.11626	3.7
197.13298	6.4
199.11195	3.7
199.14783	4.7
203.17967	3.1
205.19531	6.7
207.10092	4.7
213.16388	8.3
215.17969	24.5
221.13303	5.4
224.34598	3.4
225.11256	21.0
225.16341	4.8
227.12697	17.8
231.17461	13.7
233.19034	42.6
241.19572	4.4
243.12315	4.6
245.13698	5.3
249.18581	12.5
251.20119	7.2
259.20633	7.8
269.19037	6.7
281.13956	6.5
285.18692	4.1
287.20001	7.2
299.14969	29.4
305.21130	7.5
307.22650	29.8
375.26877	6.5
393.27866	19.6
403.26041	4.8
411.28894	12.2
421.27393	24.2
429.30060	11.7
439.28400	36.3
457.29459	27.5
467.31476	3.4
485.32523	21.7
487.33887	6.7
503.33939	21.8
513.32178	68.3
522.49933	3.4
531.33258	57.7
549.33612	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	548.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35955	0.4
51.03904	0.3
55.01869	0.5
55.05509	2.4
56.05037	1.3
57.03443	0.5
57.07061	0.7
58.06606	1.5
59.07370	0.5
60.08167	18.6
64.03168	0.3
67.05513	4.6
69.07082	1.9
70.76865	0.4
71.07378	6.9
71.51395	0.6
79.05506	1.9
81.07047	3.7
83.08615	1.1
86.09708	50.6
91.05490	1.1
93.07040	1.5
94.07395	0.5
95.08618	2.9
98.98475	4.5
104.10746	96.8
105.07024	1.1
107.08597	1.0
109.10181	1.1
117.63552	0.5
118.92472	0.4
119.08591	0.6
121.10149	1.0
125.00007	30.1
131.08611	0.6
133.10092	0.4
135.11707	0.6
147.11676	0.4
154.19824	0.4
159.11809	0.4
163.01646	0.5
184.07346	100.0
235.49934	0.5
258.11087	1.2
347.19632	0.4
365.30420	1.0
366.23770	0.4
530.36029	7.7
548.37115	27.6
549.37610	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	4.1
55.05519	29.6
57.03446	11.6
57.07087	10.4
59.05036	3.3
65.03940	3.1
67.05510	99.1
69.07065	28.6
71.05025	3.5
71.08652	4.9
71.51529	4.0
73.02937	3.8
78.13120	3.6
79.05511	31.0
80.71049	3.1
81.07061	100.0
81.07531	5.1
83.08624	27.8
85.02919	4.2
85.06547	4.0
85.10165	3.6
91.05492	28.9
92.05827	3.3
93.07056	32.9
95.01338	4.8
95.08624	82.8
97.06567	6.2
97.10177	14.8
99.08109	7.3
105.07050	19.0
107.08600	23.0
109.10174	42.4
111.08131	5.7
119.08585	19.0
121.10178	25.5
122.66728	3.1
123.11709	25.1
125.09674	3.2
131.08592	5.3
133.10152	22.2
135.11729	11.6
137.09558	3.7
137.13345	10.4
141.01872	5.5
141.12723	7.3
147.11778	10.8
149.13297	10.0
151.14774	4.9
153.12769	3.2
155.14310	4.4
159.11688	3.9
161.13216	17.8
163.14790	14.8
165.11388	2.9
165.12756	4.1
165.16414	9.4
175.14865	12.3
179.18016	8.4
189.16469	7.0
193.05127	3.7
197.27475	3.0
245.22644	72.6
245.24915	4.8
263.23746	84.3
337.27441	61.7
350.60715	3.4
355.28470	5.4
513.30634	4.6
548.39154	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	548.293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.05267	0.7
55.05513	7.9
56.05038	2.6
57.03423	0.5
57.05820	0.9
58.06598	0.4
60.04230	0.8
60.04528	11.7
61.02922	0.5
67.05495	0.7
67.89327	0.4
68.05047	0.6
69.03431	3.2
70.06596	7.8
70.40062	1.4
70.94888	0.4
71.00905	0.4
71.04982	0.5
72.08159	100.0
73.02914	1.0
73.08494	0.7
74.06075	2.9
77.44640	0.4
79.05510	0.5
80.05024	0.4
81.03419	1.3
82.06586	0.6
82.32880	0.4
84.04510	5.0
84.08149	6.6
85.01157	0.7
85.02909	3.0
86.09710	48.6
87.10030	0.6
88.04008	1.4
91.05486	1.0
95.06150	0.5
96.04533	0.6
97.02914	1.4
98.06069	5.0
98.09727	0.7
99.02693	0.4
99.04459	2.3
101.07156	0.7
102.05555	1.7
103.03946	0.6
109.02903	0.9
110.07195	0.7
110.09676	0.7
112.03977	2.8
112.08713	0.8
112.11267	0.9
115.08727	0.5
116.07100	15.3
117.00081	0.7
120.08136	0.9
121.02891	1.7
123.04491	0.7
125.06013	0.5
125.07131	0.8
126.05554	1.4
127.03924	5.9
128.10803	0.5
129.10257	4.4
130.05022	2.7
136.07620	1.0
140.07066	0.5
142.03203	0.9
142.08611	0.7
143.08173	5.5
143.09233	0.5
144.99579	1.3
145.05005	1.7
145.06055	0.5
147.04437	0.7
148.06047	8.1
157.13412	1.8
157.86061	0.5
161.09236	5.7
170.02699	4.8
171.07658	20.3
173.12871	3.1
176.09215	0.7
177.02194	1.2
177.05597	0.7
183.11287	0.7
185.12939	0.8
185.16487	6.3
185.17999	0.6
187.10783	0.6
189.08731	7.7
201.12422	1.5
213.15990	7.3
215.13992	0.7
216.03282	2.3
217.08151	0.5
225.12320	2.1
226.11909	0.6
226.80576	0.4
229.07387	0.5
242.14967	2.1
243.13467	1.7
248.05939	0.8
252.13416	0.5
261.14478	23.4
270.14493	32.3
271.14865	0.6
288.15549	22.3
308.08099	0.9
314.20834	0.6
330.22403	0.4
355.23642	0.5
360.21268	3.3
368.22522	0.5
373.24438	2.0
374.09030	3.0
383.22968	1.2
392.10156	0.7
401.24008	4.8
410.11096	2.0
424.90213	0.6
430.37238	0.4
530.28430	1.0
548.29065	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56882	0.2
60.74673	0.3
64.77679	0.2
70.68170	0.3
71.50824	0.5
92.20313	0.3
95.03778	0.3
177.50999	0.3
258.10733	0.2
263.15292	0.3
366.02423	0.3
373.14883	0.4
374.15033	0.5
382.71631	0.3
387.16562	0.7
388.16434	1.5
389.17166	1.8
390.18085	1.4
401.17911	0.8
402.14322	0.3
402.18268	3.0
403.18921	3.3
404.19565	5.4
405.20447	0.8
413.18335	0.3
415.19525	0.6
416.14957	0.4
416.20142	1.8
417.20978	2.7
418.21292	4.9
419.21808	2.7
430.17435	0.9
430.22000	0.6
431.17511	3.0
432.18356	6.1
433.19025	0.5
433.24405	2.9
434.24271	12.8
444.19220	0.5
445.19543	2.7
446.19958	9.2
447.21033	3.3
458.20590	0.3
459.21664	0.8
460.21744	4.1
461.22992	15.7
462.23712	12.4
473.23352	0.4
474.23679	3.5
475.24976	1.9
481.09827	0.3
488.25226	0.9
490.23318	0.4
505.25861	0.5
516.24445	0.4
520.27942	3.1
533.25092	1.2
548.27405	100.0
549.27185	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	548.272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.3
56.04996	0.8
60.04488	1.0
61.02901	0.7
67.05481	1.5
69.03387	0.6
69.07050	1.2
70.02927	1.2
70.06594	27.6
70.25980	1.5
70.26378	1.2
71.04979	0.9
72.08160	4.4
74.06062	0.8
79.05475	0.8
81.03388	2.2
81.07063	3.1
83.04962	0.8
84.04470	2.2
84.08144	3.5
85.02897	1.3
85.06583	0.6
86.09710	42.4
88.03989	5.8
89.05997	1.3
90.19801	0.5
91.05471	5.6
93.07037	1.4
94.06560	1.0
95.04944	1.8
95.08584	0.7
96.04472	0.8
98.02400	1.7
103.05451	1.2
105.06997	1.8
110.07182	0.9
112.03944	2.1
116.07097	30.1
119.07324	1.0
119.08578	1.0
120.08106	66.0
121.10149	1.7
123.04417	2.0
123.11710	1.7
129.10219	1.3
130.06520	16.6
132.08076	1.2
133.08577	0.7
136.07541	0.8
140.07077	4.2
143.11813	5.8
144.08130	3.3
147.11623	2.3
151.01865	0.6
158.05862	1.1
158.08124	2.6
165.12715	2.5
171.11342	0.9
172.07600	5.3
175.08685	18.6
176.07028	1.0
176.09183	6.8
187.08678	1.4
188.07144	0.6
190.08644	8.9
200.03549	0.6
200.07021	1.8
201.05090	1.2
205.09721	1.1
215.08199	0.8
217.09727	6.7
218.08174	2.0
229.14172	0.8
229.15475	2.2
231.09731	0.7
235.10777	100.0
236.11153	1.2
245.09309	1.2
247.10788	0.9
257.09042	0.8
260.10406	0.9
263.10275	35.0
275.10434	1.1
284.13730	1.3
284.70313	0.7
286.17529	0.8
302.11432	1.5
303.17126	1.0
320.12424	90.3
321.12900	1.4
346.17599	2.4
353.88382	0.7
355.17902	1.2
388.18701	0.8
405.21277	11.2
433.20850	8.2
548.20276	2.3
548.27466	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.1
55.01882	8.9
55.05516	52.0
57.03445	17.3
57.07080	15.6
59.04991	2.5
59.88542	1.5
65.03937	4.5
65.83339	1.8
67.05511	100.0
69.03427	5.5
69.07077	38.5
71.04986	5.5
71.08619	5.7
71.36721	1.6
71.37060	2.3
72.04523	12.9
77.34055	1.5
79.05502	59.2
81.03425	51.3
81.07063	93.7
82.07394	2.4
83.04984	8.5
83.08627	42.9
85.02893	1.7
85.06577	3.9
85.10191	2.6
91.05485	51.0
92.05778	1.7
93.07049	56.6
95.04982	40.3
95.08613	69.7
97.06533	12.8
97.10189	30.0
99.08104	2.5
103.05474	1.7
105.07040	41.2
107.04972	15.8
107.08607	37.4
109.06550	8.1
109.10165	33.3
111.08089	9.3
111.11775	2.8
115.05469	2.0
117.07012	13.6
119.08593	31.0
121.06554	9.4
121.10156	29.5
123.08096	4.9
123.11736	12.2
125.09644	16.5
128.06210	2.3
129.07033	10.8
131.08589	20.1
133.06497	3.3
133.10138	22.7
135.08058	6.7
135.11684	19.1
135.77516	1.6
137.09630	3.3
137.13266	3.2
141.07016	4.1
142.07738	1.9
143.08600	7.2
145.10127	18.4
147.08069	5.1
147.11670	12.5
149.09604	5.3
149.13280	6.2
151.11217	2.3
151.14879	2.2
155.08549	2.0
157.10147	10.4
159.11711	7.6
161.09621	2.3
161.13293	7.7
163.11188	9.5
163.14847	5.1
164.11417	1.8
165.12856	2.8
169.10115	3.1
171.10286	1.8
171.11688	4.0
173.11908	2.9
173.13319	6.5
175.11227	5.7
175.14832	4.9
177.12776	4.2
177.16411	2.9
179.17989	1.9
183.11630	3.4
185.13280	4.8
187.14854	2.5
189.11234	11.0
189.12688	2.3
189.16368	4.1
191.46262	1.7
193.10599	3.5
193.12244	21.8
199.14824	3.0
201.16432	1.7
203.17889	2.0
205.12259	3.0
211.13275	2.0
213.16411	1.9
215.17970	2.8
220.13239	1.7
223.24008	1.6
227.12758	20.3
228.13316	2.6
241.17964	2.9
245.22701	7.1
249.14912	4.3
263.23798	8.1
267.15909	49.8
267.18625	3.0
269.22958	1.9
275.20242	2.4
285.25800	2.3
287.23685	3.4
289.21640	4.1
303.26743	15.6
305.24979	3.1
319.26364	2.0
329.21155	2.4
335.25827	2.8
337.27408	39.6
343.26404	1.9
357.24179	2.2
403.24493	2.2
421.25885	2.5
427.35669	2.7
437.33966	8.4
455.35278	26.9
473.36340	13.5
529.38934	68.6
530.38977	2.4
547.39923	92.7
548.40558	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	546.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
57.00076	0.4
57.03439	6.6
59.05005	100.0
60.51209	0.4
61.02932	0.6
61.75676	0.4
69.03436	1.4
70.06622	0.8
71.11005	0.8
81.03432	0.8
82.87984	0.4
84.04510	0.5
84.08151	0.8
85.02912	3.3
86.09708	0.9
87.04500	0.5
97.02923	1.0
99.08118	1.5
101.09677	0.8
115.07584	2.3
117.09138	37.1
123.04480	0.4
127.03908	0.5
145.05002	0.5
147.04477	0.6
147.73962	0.4
155.05647	0.5
175.13303	17.9
193.01213	0.4
193.14410	1.5
233.17471	4.9
235.83856	0.4
251.18486	2.7
291.21863	0.8
309.22925	1.2
367.26917	20.0
367.31393	1.0
384.24146	0.5
394.05438	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20886	0.5
52.84261	0.5
55.05509	0.6
59.05011	0.6
59.21638	0.5
60.04527	0.5
61.91084	0.5
67.05531	0.4
69.07080	0.7
70.06602	8.6
71.49745	0.8
72.08157	3.7
73.06558	1.7
84.04514	2.0
84.08150	3.5
85.02917	1.2
86.09718	7.5
87.03673	0.5
87.04482	11.1
87.05581	0.9
87.10047	1.1
89.06039	100.0
91.07588	0.7
95.04990	0.5
107.07083	1.6
110.07174	0.9
117.09107	0.7
120.08131	1.8
129.10266	2.8
130.08629	0.8
131.07080	2.1
133.08617	50.8
135.46509	0.5
136.07620	1.1
140.07045	0.5
147.20477	0.4
159.11368	1.1
161.11742	0.6
164.07106	0.5
175.09694	1.6
177.11258	11.8
178.21655	0.5
200.70845	0.5
214.97916	0.5
221.13873	1.3
239.15392	0.5
260.58090	0.5
547.28412	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.8
55.01867	1.8
55.05512	6.5
57.03445	3.7
57.07067	1.3
62.06082	1.7
65.03941	1.3
67.05505	7.2
69.07076	7.4
70.45159	0.7
70.56577	1.9
70.56931	1.2
71.05004	1.1
71.08632	4.3
72.08131	1.2
79.05499	6.5
80.41083	0.7
81.03444	1.0
81.07066	12.6
83.05022	0.9
83.08646	3.8
84.08173	0.8
85.06527	1.1
86.09676	1.2
91.05487	5.4
93.07059	7.5
95.04993	0.7
95.08610	11.8
97.06528	3.5
97.10165	1.5
98.06052	0.7
98.98474	4.2
99.08092	2.5
105.07043	8.9
107.08608	9.0
109.06523	8.2
109.10131	4.1
111.08051	2.4
117.07005	2.3
119.08604	9.5
121.06511	0.8
121.10143	6.6
123.08078	16.1
123.11688	1.7
123.82407	0.8
125.09702	1.2
125.28551	0.7
131.08575	3.2
133.10149	8.8
135.08055	9.7
135.11690	2.3
137.09627	2.0
145.10132	4.8
147.08115	1.5
147.11694	7.6
149.09641	2.7
149.13232	1.7
157.10208	1.2
159.11797	2.1
161.09605	1.0
161.13232	1.6
163.11212	0.9
163.14816	0.8
165.12776	1.6
167.14294	1.6
173.13260	2.5
175.14859	8.5
177.12750	3.0
177.16348	1.1
179.14334	25.1
184.07410	2.2
193.12230	1.1
193.15878	1.6
203.14395	1.3
205.15958	4.2
216.06221	1.4
231.16068	0.8
263.20090	1.1
271.20523	1.2
275.20239	1.5
289.21719	6.9
293.21140	2.9
303.26947	1.7
319.22723	1.8
331.22452	0.9
331.26346	12.7
337.23627	0.9
347.25714	1.9
349.27490	6.3
369.27930	1.8
374.30579	2.1
375.28827	1.8
387.28848	6.0
405.30017	100.0
406.30353	1.8
485.26654	1.5
503.27716	7.5
546.31598	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	546.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.9
55.05521	4.3
57.03437	4.5
57.07063	2.0
62.06087	1.5
67.05509	7.3
69.03444	0.6
69.07072	7.8
70.04992	1.2
70.05376	1.1
70.06617	0.6
70.93191	0.5
71.04982	1.3
71.08649	3.9
72.08141	0.5
79.05502	5.4
81.06596	0.7
81.07068	12.8
83.05000	1.3
83.08623	3.2
84.63148	0.5
85.02924	0.7
85.06543	1.2
88.42994	0.6
91.05476	5.4
93.07052	7.5
95.04958	1.2
95.08614	10.0
97.06510	2.6
97.10155	1.2
98.98476	4.2
99.08099	1.9
105.07040	6.6
107.08604	8.3
109.06525	7.4
109.10164	4.2
111.08091	2.0
117.07053	1.2
119.08592	9.2
121.06474	0.7
121.10154	6.0
122.07292	0.6
123.08077	16.5
123.11714	1.9
125.09646	0.9
129.06975	0.7
131.08557	3.8
133.10138	8.7
135.08052	9.2
135.11699	1.5
137.09628	1.5
143.08575	0.9
145.10121	4.4
147.08038	0.8
147.11667	5.3
149.09631	1.9
149.13289	1.9
151.11217	0.6
157.10158	1.5
159.11697	3.0
161.09615	1.6
161.13271	1.0
163.11159	0.9
165.12819	0.9
165.99393	0.6
167.14342	1.0
171.11691	0.9
173.13293	1.3
175.11316	0.7
175.14821	7.8
177.12740	3.8
177.16479	1.3
179.14311	23.3
191.14241	0.8
193.03519	0.5
193.12305	1.1
193.15913	1.7
198.05263	0.8
205.15868	3.8
216.06335	1.6
225.69652	0.5
231.15826	1.1
233.19156	0.7
243.59442	0.5
263.20108	0.8
271.20496	0.7
275.20105	1.7
289.21689	6.8
289.24796	1.0
293.21140	2.4
303.26868	1.5
313.25394	0.7
319.22687	1.6
331.26318	10.6
337.23889	1.2
347.25909	1.2
349.27347	6.4
357.28064	0.8
361.27328	0.9
369.27957	0.8
374.30643	1.5
375.28967	2.2
387.28973	6.3
405.30017	100.0
406.30356	1.3
485.26517	1.8
502.52310	0.5
503.27728	4.6
528.30212	0.7
546.32019	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	546.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.8
55.01864	1.7
55.05525	5.2
57.03439	3.9
57.07071	1.8
59.04995	1.2
61.02927	0.8
62.06104	0.9
67.05509	10.6
68.05823	0.7
69.07074	9.2
71.04987	1.6
71.08637	4.4
79.05495	7.8
81.03419	0.8
81.06591	1.0
81.07061	15.7
83.04967	1.8
83.08636	3.9
85.06535	1.3
86.09685	0.8
91.05479	6.5
92.05846	0.8
93.07054	8.7
95.04965	1.9
95.08614	12.0
97.06528	2.3
97.10179	2.3
98.98463	2.9
99.08102	3.3
104.92964	0.8
105.07040	9.5
107.08602	8.7
109.06530	8.1
109.10183	4.4
111.08126	1.7
117.07034	2.7
119.08585	10.5
121.06516	0.8
121.10153	6.5
122.07229	0.9
122.65472	0.6
123.08071	15.5
123.11707	1.3
125.09611	1.9
131.08562	3.6
133.10143	8.7
135.08080	6.9
135.11682	2.5
137.09650	1.8
139.58418	0.7
143.08655	0.7
145.10135	5.9
147.08099	1.0
147.11682	5.4
149.09625	2.7
149.13254	3.1
154.94164	0.8
157.10158	1.2
159.11719	2.6
161.09586	1.9
161.13248	1.9
163.11197	1.3
163.14777	0.9
165.12816	1.6
167.14330	1.1
171.11703	1.4
173.13290	1.5
175.14822	7.6
177.12721	3.5
177.16364	0.9
179.14319	25.7
184.07304	1.1
187.14932	0.8
191.14291	1.6
193.12367	0.7
193.15945	1.7
198.05336	1.1
201.16443	0.8
205.15886	3.8
210.08849	0.7
216.06329	1.1
231.15907	0.9
243.21117	0.8
243.65862	0.7
247.20543	1.1
261.22186	1.3
263.20029	1.1
273.16245	0.8
275.20056	1.5
289.21680	7.6
289.24783	1.1
293.21198	2.8
303.26736	1.3
319.22876	1.4
331.26343	12.3
336.26068	0.8
337.23822	1.3
347.25836	1.2
349.27380	6.6
357.28195	1.0
369.27631	1.1
374.30490	2.2
375.28967	2.0
387.29080	6.8
405.30023	100.0
406.30508	1.7
463.80963	0.7
472.18228	0.9
485.26627	0.9
503.27972	5.4
528.37817	2.5
546.32098	1.2
546.38708	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	546.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.9
55.05513	5.2
56.05033	1.9
57.98801	1.0
58.99592	15.5
59.04979	1.1
61.01164	1.0
67.05507	7.9
69.03426	1.6
69.07072	10.6
70.06594	11.5
71.04981	2.7
71.50539	1.5
72.08156	6.4
73.01138	0.8
73.02913	0.9
74.00668	15.5
76.02233	28.0
76.03993	3.2
77.03915	0.8
79.05497	13.6
80.05028	1.4
81.03448	1.1
81.07059	13.7
82.06618	1.0
83.04990	0.8
83.06108	2.8
84.04510	21.6
84.08135	5.3
85.01153	0.8
85.02898	1.9
85.04031	1.5
85.06536	1.9
86.09714	16.9
86.99050	6.9
87.04425	1.1
88.02212	2.6
91.05489	22.9
93.07048	24.6
95.04950	2.6
95.06126	1.0
95.08624	9.6
97.02901	1.7
97.06534	2.6
99.05573	2.7
102.05534	1.5
103.03976	1.6
103.05493	1.0
105.07035	28.3
107.04956	1.1
107.08595	16.2
109.06528	2.8
109.10143	1.9
110.07163	1.1
111.08105	1.1
115.05453	1.7
116.01686	35.3
116.05256	0.8
117.07046	6.2
119.08586	38.9
120.08086	2.1
121.06492	2.9
121.10129	5.0
123.08056	3.7
127.08701	2.4
128.06216	1.6
128.14922	0.9
129.07050	8.3
129.10236	2.3
130.05028	7.4
130.06514	10.3
131.08565	9.3
132.08072	2.6
133.06496	3.7
133.08609	1.2
133.10135	13.3
135.08067	7.5
135.11676	2.3
137.04234	1.3
137.09653	1.3
139.05769	1.2
139.07527	1.4
141.04794	0.9
142.03224	8.7
142.06471	1.4
142.07748	0.8
143.08575	10.3
144.01146	17.1
144.08131	1.7
145.06180	1.1
145.07574	1.0
145.10130	4.4
147.08064	13.2
147.11659	6.6
149.04149	1.6
149.13196	1.6
151.07535	1.1
153.06602	1.5
153.09065	4.4
155.08240	1.9
157.10114	5.9
159.09195	8.4
159.11687	16.5
161.09637	8.1
161.13266	51.0
162.02214	60.4
165.09122	4.5
170.02707	2.2
170.06026	4.0
170.09673	3.1
171.11649	3.2
173.13242	2.8
175.11174	7.0
175.14847	7.8
176.09193	1.8
177.03285	2.4
178.55605	0.9
179.04871	20.2
179.10670	2.1
183.11703	1.1
184.07327	1.2
185.03996	1.1
185.13272	20.4
187.05432	2.5
187.08659	1.3
201.12599	1.8
203.14322	33.6
205.15884	2.0
207.12070	1.1
208.07959	1.3
209.06242	0.9
215.14047	1.9
216.10141	6.2
219.13853	2.5
221.15373	100.0
222.15710	1.6
225.10205	2.2
227.14299	1.3
231.04402	1.7
231.17061	3.3
233.05867	2.2
235.11551	1.4
239.16426	2.5
245.05940	2.3
245.15210	1.0
251.11243	1.6
253.10074	1.1
253.12576	1.9
271.10938	0.9
278.15833	4.6
279.14114	2.4
287.05447	3.7
288.13358	1.9
296.16776	3.7
299.10324	2.3
306.15320	4.0
308.09097	2.5
314.17859	32.4
316.12955	9.1
324.16318	3.7
344.14972	1.8
364.15771	1.4
382.16766	6.4
399.19547	11.7
400.17905	28.7
417.20624	23.2
425.21173	1.0
429.21155	1.2
453.20435	2.1
471.21542	19.1
528.23608	2.4
546.25122	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	546.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.4
56.05041	0.4
60.04540	0.4
61.01139	0.9
65.03936	0.8
67.05478	0.3
70.02930	0.4
70.06602	3.2
71.19683	0.4
72.04517	1.8
72.08160	4.2
73.02902	0.4
74.06062	0.3
74.66588	0.3
77.00605	0.4
78.03803	1.9
79.05513	0.3
84.04494	1.2
84.08156	1.5
85.02910	0.4
85.06528	0.4
86.06081	0.5
86.09710	4.5
87.10055	0.4
88.02205	1.2
91.05487	6.6
95.04993	0.7
95.14548	0.3
98.06081	0.3
99.05542	0.4
101.65546	0.3
102.03781	2.8
102.05555	0.5
110.07156	0.3
114.03752	1.2
119.04951	18.4
120.08132	0.4
121.06470	0.4
124.07659	0.4
129.10246	0.9
130.03229	0.4
130.08655	0.5
131.06387	1.3
132.04811	2.5
136.07616	0.6
141.06595	0.7
142.08679	1.7
143.11766	0.4
147.04419	100.0
148.04741	0.8
149.07445	9.9
159.05855	0.8
159.07523	0.3
169.26089	0.3
171.14978	0.8
175.05397	1.1
183.11255	0.3
184.09729	0.9
187.07143	0.4
199.14374	0.4
201.12358	0.7
202.10635	0.3
206.06259	0.4
218.08139	12.8
229.12016	0.4
232.66757	0.3
243.11659	0.5
261.12680	5.5
277.09967	0.5
286.17871	0.4
295.11130	18.5
314.17120	0.6
352.43152	0.3
369.17850	0.3
405.89835	0.3
407.16360	3.7
416.13113	17.1
422.74615	0.3
528.18365	5.3
570.07941	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.7
54.01507	1.6
55.01868	6.6
55.05270	3.2
55.05516	36.6
57.03445	11.1
57.07067	4.3
59.29952	1.9
65.03945	4.8
67.05511	77.0
69.03426	4.8
69.07072	22.4
70.68287	4.0
71.04983	3.0
71.08634	2.1
71.93716	2.0
75.23299	1.9
79.05070	3.5
79.05501	47.0
81.03425	25.2
81.07063	71.3
83.04982	6.5
83.08626	21.6
85.06538	3.3
85.07410	1.8
91.04977	3.3
91.05492	42.2
93.07053	51.4
95.04970	22.3
95.08610	48.1
97.06551	6.0
97.10178	23.7
99.08102	2.2
105.04578	2.4
105.07040	42.3
107.04945	8.7
107.08609	33.8
109.06519	5.5
109.10164	25.7
111.08075	4.1
115.05521	2.2
117.07049	19.9
119.08606	29.7
121.06502	7.9
121.10146	21.9
123.08106	4.6
123.11754	9.7
125.05950	1.9
125.09631	18.5
127.11242	1.9
128.06245	3.1
129.06995	13.1
131.08575	30.1
133.06499	4.0
133.10150	21.4
135.08060	5.7
135.11679	14.0
137.09628	3.8
137.13281	3.6
143.08577	11.7
145.06496	2.5
145.10139	24.7
147.08080	5.9
147.11707	13.6
149.09653	5.8
149.13306	8.7
151.11122	3.6
155.08601	6.8
157.10144	14.6
159.08078	3.1
159.11696	15.6
159.15424	2.2
161.09573	2.9
161.13283	7.8
163.11182	5.1
163.14845	2.9
167.08572	2.9
169.10164	5.8
171.10361	3.1
171.11659	9.7
173.09642	2.8
173.13307	12.5
175.11263	4.8
175.14909	4.6
177.12805	4.1
181.10147	2.4
183.11716	3.5
185.13287	5.8
187.11111	3.4
187.14854	5.5
187.90785	2.0
189.11234	12.3
189.12729	2.9
191.10587	3.0
191.14505	2.3
193.12210	10.2
195.11749	2.1
197.13316	4.9
199.14911	3.8
201.16508	4.2
205.12256	2.2
209.13351	2.3
213.16428	3.9
227.12772	12.9
233.15454	4.1
243.21217	3.1
247.17015	2.9
249.14836	2.3
261.22113	16.5
267.15918	25.1
275.20148	2.7
277.86288	1.9
279.23547	2.6
285.22064	4.5
287.20151	2.5
301.25177	23.0
303.23334	4.0
317.24646	4.8
335.25888	16.0
359.25867	4.1
417.31375	2.9
421.25946	3.6
435.27277	4.3
435.32590	10.5
453.33572	16.5
471.34949	12.6
509.36002	3.3
525.26050	2.2
527.37354	65.8
545.38428	100.0
546.38910	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	545.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.8
55.01862	7.4
55.05515	38.3
57.03451	9.9
57.07067	5.7
59.05001	2.9
65.03935	2.5
67.05509	78.8
69.03429	3.3
69.07068	20.2
70.76175	4.9
71.04977	4.9
71.72827	1.7
73.80137	1.9
79.05501	48.5
81.03414	28.4
81.07062	80.6
83.04966	8.6
83.08620	25.3
85.06552	2.6
91.05487	38.9
93.07051	51.1
95.04982	24.7
95.08612	51.0
97.06570	5.1
97.10177	25.1
99.08105	2.2
103.05431	2.0
105.07039	42.0
107.04967	11.3
107.08594	37.4
109.06534	8.2
109.10162	29.8
111.08096	5.8
115.05507	2.1
117.07014	17.9
119.08589	28.6
119.09392	3.2
121.06523	9.9
121.10153	20.8
123.08088	7.3
123.11711	9.1
125.09625	19.2
128.06248	2.4
129.06999	8.8
129.25510	1.7
131.08566	27.5
133.06503	3.7
133.10144	24.9
135.08060	6.0
135.11725	17.4
137.09660	4.4
137.13319	2.6
143.08574	10.3
145.06458	2.9
145.10118	21.8
147.08066	6.4
147.11699	16.6
149.09668	4.7
149.13266	9.9
151.11192	2.3
153.09111	2.7
155.08569	3.6
157.10115	11.5
159.08087	3.3
159.11708	18.5
161.09605	2.1
161.13248	10.3
163.11215	6.1
163.14893	3.3
165.12804	2.5
169.10161	6.0
171.11693	8.5
171.81985	1.7
173.13293	10.8
175.11221	4.1
175.14864	4.8
177.12723	2.0
183.11809	5.4
185.13315	6.7
187.11282	2.6
187.14815	8.7
189.11252	12.7
189.12720	2.8
189.16486	2.0
193.12311	9.2
195.11662	2.9
197.13258	2.7
199.14873	3.6
201.16498	2.2
205.74959	2.0
209.13496	2.0
213.16365	2.6
217.19550	1.8
223.62393	1.8
227.12750	20.0
233.15482	2.7
243.15785	2.2
243.21097	3.3
247.16948	4.0
261.22122	16.6
267.15927	28.2
267.20868	1.9
279.19568	2.4
279.23157	2.9
283.24384	3.0
285.22226	5.9
287.19998	3.3
299.23801	2.6
301.21945	4.2
301.25201	24.9
303.23282	3.7
315.23148	1.7
317.24725	3.4
329.24759	2.0
335.25888	20.0
341.25089	2.1
359.25766	3.1
403.24338	2.8
407.93207	1.9
421.26019	2.8
435.27850	2.7
435.32672	11.5
449.29025	2.7
453.33658	19.0
471.34726	14.0
509.36334	4.2
527.16699	2.2
527.37354	62.8
545.38416	100.0
546.38953	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	545.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95394	1.6
53.03947	4.0
55.01860	5.3
55.05270	2.4
55.05515	34.2
56.88192	1.6
57.03446	9.6
57.07063	3.8
65.03938	4.5
67.05510	79.9
69.03435	2.6
69.07070	19.9
69.48950	6.7
69.49364	5.4
71.04999	3.6
73.28783	1.7
78.15013	1.8
79.05494	48.7
81.03417	29.8
81.07061	66.7
83.04984	7.6
83.08621	18.4
85.06528	6.1
91.04980	3.2
91.05491	41.1
92.10987	1.7
93.07052	46.3
95.04984	22.0
95.08616	46.3
97.06525	6.7
97.10179	25.4
99.08096	2.9
101.08864	1.9
103.05482	1.6
105.04533	2.8
105.07034	40.3
105.07697	3.0
107.04993	8.5
107.08598	30.7
109.06525	7.8
109.10172	26.2
111.08115	6.1
116.06248	2.4
117.07025	17.3
119.08598	28.1
121.06517	6.1
121.10157	22.3
123.08073	6.8
123.11713	9.7
125.09634	20.1
128.06216	1.7
129.07007	11.1
131.08592	27.0
133.06503	4.2
133.10123	25.9
135.08061	4.2
135.11699	15.0
137.09619	2.3
137.13304	2.4
141.06990	2.1
142.07814	3.2
143.08580	8.1
145.06494	2.9
145.10143	21.9
147.08040	4.1
147.11688	15.1
149.09653	6.8
149.13252	11.3
151.11290	2.6
155.08580	5.2
157.10100	12.7
159.08130	3.0
159.11705	17.5
161.09671	3.4
161.13289	9.5
163.11188	7.5
163.14867	2.8
169.10164	4.9
171.10345	2.0
171.11716	8.0
173.13252	11.5
175.11218	6.3
175.14883	6.1
177.12766	1.8
181.10229	2.0
183.11658	3.5
185.13297	5.9
187.11176	2.1
187.14873	4.0
189.11241	12.5
191.14366	2.6
193.12247	9.7
195.11670	3.1
197.13295	4.2
199.14844	3.1
203.14401	1.9
205.15912	2.1
211.13223	2.9
213.12764	2.0
227.12761	16.0
243.21150	2.8
247.17097	2.2
254.30434	1.9
261.22217	14.4
267.15939	21.3
273.18503	2.4
277.21793	2.1
279.23221	4.2
283.24207	2.2
285.22153	6.0
299.23828	3.3
301.25250	22.0
303.23151	2.6
317.24911	3.2
335.25916	18.9
341.24915	2.2
403.25217	2.5
416.74500	1.8
421.25565	3.4
435.27396	3.7
435.32739	9.0
442.63953	2.1
453.33783	17.1
471.34613	15.5
509.36063	2.2
527.37384	64.2
528.38116	2.2
545.25195	3.5
545.38428	100.0
546.38391	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	545.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.0
55.01877	2.7
55.05516	16.0
57.03443	3.2
57.07072	2.5
63.86194	0.4
65.03951	2.8
67.05509	54.3
69.03430	0.9
69.07074	13.8
69.19109	4.6
71.05004	2.7
71.08631	1.0
72.04529	0.8
73.02926	1.0
79.05499	33.9
81.03434	2.2
81.07063	52.1
83.04988	3.7
83.08622	10.6
83.09113	0.5
84.06966	0.4
85.06525	1.2
91.04907	0.9
91.05486	17.5
93.03429	0.5
93.07050	42.8
95.04979	7.1
95.08614	59.0
96.08958	0.5
97.02902	4.6
97.06533	5.2
97.10192	3.2
99.04470	3.9
99.08092	1.4
100.47536	0.4
103.05465	1.1
105.04520	1.0
105.07034	12.6
107.04964	7.0
107.08602	29.3
109.06525	1.6
109.10162	10.9
111.04451	0.9
111.08102	1.3
111.11721	0.8
113.06026	0.7
113.09612	0.9
115.05454	0.7
117.07034	8.5
119.08596	13.0
121.06516	5.7
121.10146	14.5
123.11722	4.5
125.05975	1.9
125.09653	0.9
127.07630	0.7
127.11212	0.4
129.07042	0.8
130.07805	1.6
131.08609	0.7
133.10141	5.4
135.08090	2.0
135.11700	43.5
137.13257	1.9
139.07574	1.2
143.08562	1.5
145.10132	25.0
147.11713	2.5
149.13271	1.6
151.14825	0.5
153.12753	1.3
155.08640	0.4
161.13300	1.3
163.11191	52.1
163.14854	1.4
164.11560	0.6
173.09679	0.8
175.14812	1.2
177.12715	0.4
181.12251	12.6
189.16289	0.6
209.11772	1.7
225.66153	0.4
227.12794	100.0
228.13147	1.1
231.62268	0.5
241.12338	0.5
245.22624	1.7
246.22754	0.5
263.23782	3.3
277.21655	0.5
279.97092	0.5
283.15439	1.2
319.26270	0.6
527.37500	0.6
545.26410	3.6
545.38379	44.8
546.38629	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	545.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.5
55.01868	3.6
55.05266	1.7
55.05511	21.9
57.03416	5.1
57.07063	5.4
59.21410	1.2
65.03922	3.6
67.05506	71.5
69.03445	1.7
69.06736	1.8
69.07072	22.7
69.17705	12.4
71.04985	4.9
71.08632	28.6
73.06549	1.5
77.03916	1.6
79.05019	1.4
79.05495	60.9
81.03430	7.9
81.07059	89.0
83.04981	10.7
83.08151	1.8
83.08617	17.7
85.06542	3.0
85.50204	1.3
91.05486	46.0
93.07045	78.5
95.04967	11.6
95.07997	2.6
95.08607	41.8
97.06531	13.8
97.10155	5.1
99.08099	20.7
105.04494	2.8
105.07042	27.0
107.04972	8.1
107.07874	2.4
107.08598	40.9
109.06519	3.7
109.10154	13.5
111.08098	5.8
113.09644	2.3
117.07031	11.7
119.08584	20.4
121.06514	2.9
121.10143	33.7
123.08080	2.1
123.11684	3.8
125.09615	1.7
129.06956	5.3
131.08583	9.3
133.06442	1.6
133.10135	16.5
135.08009	1.7
135.11687	35.1
135.71513	1.2
137.09624	3.3
139.11247	1.5
141.06905	1.3
141.09097	4.2
143.08565	3.3
145.10164	5.9
147.11760	7.0
149.09607	1.9
149.13248	20.1
151.11198	11.6
157.10103	2.9
159.11716	8.7
161.13287	14.8
163.11160	9.5
163.14815	4.2
163.18950	1.3
167.10664	1.8
171.11717	3.9
173.13289	1.6
175.11249	1.4
175.14857	2.4
177.12733	5.2
179.14311	100.0
181.12210	2.3
185.13249	2.9
189.12732	3.6
195.13795	5.3
199.14853	2.5
204.89833	1.2
207.13756	1.5
221.15396	4.2
227.12772	5.8
231.21054	1.4
235.16946	5.6
241.19469	1.8
251.16316	2.5
259.20459	4.0
268.28076	1.3
277.21628	65.2
282.18454	1.4
295.22678	4.4
351.25211	1.6
403.89014	1.3
527.37219	4.0
545.24945	3.5
545.38525	84.8
546.39459	3.2
567.12439	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	545.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	9.5
54.29211	2.2
55.01872	13.6
55.05518	13.7
57.03431	9.4
65.03924	4.5
67.05506	47.8
69.07078	7.6
70.06593	3.9
71.04993	4.8
71.15203	3.6
71.34323	2.1
72.08156	5.5
79.05499	54.1
81.03425	12.3
81.07062	32.0
83.04993	22.2
83.08607	3.3
85.06537	3.1
91.05500	24.1
93.07044	45.2
95.04976	19.4
95.08600	10.4
97.06536	17.4
99.04452	4.1
105.07038	12.5
107.04962	44.0
107.05645	4.0
107.08617	23.0
109.06528	4.6
109.10143	3.9
111.04453	26.9
111.08094	7.6
117.07011	14.7
119.08607	18.5
121.06484	4.0
121.10159	39.2
125.06056	4.6
130.07831	3.2
131.04955	4.3
131.08556	14.8
134.10301	2.5
135.08041	4.2
135.11702	39.4
143.08647	2.3
145.06502	7.3
145.10141	40.0
147.08113	4.5
147.11736	3.0
149.09641	9.5
153.12727	10.4
155.08591	9.7
163.11192	61.4
173.09625	27.2
181.12311	16.7
191.10672	29.5
209.11745	20.3
227.12776	27.0
229.78679	2.6
265.14365	100.0
283.15414	69.9
301.16489	53.0
383.32962	3.3
427.25174	3.2
445.25525	3.4
451.60727	2.7
473.25510	17.8
484.52136	3.5
491.26428	16.9
509.27374	10.6
527.28656	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	16.1
55.01862	16.8
55.05507	11.4
55.53446	4.2
57.03426	6.8
59.05000	3.7
63.76007	3.6
67.05513	48.7
69.07066	8.9
70.06600	5.2
71.01601	11.1
72.08165	6.3
73.02904	5.1
79.05499	57.7
81.03417	16.6
81.07066	48.9
83.04984	22.5
83.08590	5.6
84.04497	4.5
85.02912	5.3
85.06526	5.5
89.06021	7.7
91.05485	31.7
93.07049	47.9
95.04979	17.0
95.08613	18.3
97.06538	21.7
105.07075	20.5
107.04961	53.0
107.08598	34.0
108.03654	4.1
109.06469	5.7
109.10140	10.7
111.04473	29.5
111.08096	12.1
116.67511	3.8
117.07078	20.4
119.08563	19.7
121.06483	7.8
121.10163	40.9
123.08071	6.2
125.06059	5.9
129.06993	7.2
131.08588	16.5
133.10214	4.7
135.07977	4.2
135.11697	43.7
143.08684	4.8
145.06514	11.6
145.10132	56.7
149.09637	12.5
153.12749	16.0
155.08562	9.4
163.11188	67.6
173.09610	33.2
181.12256	22.2
191.10698	26.5
209.11755	14.0
227.12741	39.7
251.07108	5.7
257.04529	5.6
265.14380	100.0
275.19919	4.4
283.15378	51.3
286.04678	6.3
301.16525	53.4
383.11157	17.5
420.98843	3.9
436.21524	4.1
443.27878	4.5
466.65536	4.4
473.25162	13.4
491.26123	17.7
509.27975	5.4
527.28064	21.3
545.31598	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	545.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.8
55.01875	15.9
55.05505	8.9
57.03436	8.7
65.03943	3.1
67.05505	50.5
69.07074	9.3
69.31010	17.8
71.05002	2.7
79.05499	53.7
79.85853	1.9
81.03410	12.9
81.07060	33.5
83.04995	24.7
83.08630	3.8
83.91470	2.2
85.02892	3.6
85.06548	4.5
91.05489	29.5
93.07050	47.1
95.01299	3.2
95.04969	15.8
95.08607	15.9
97.06522	13.9
98.20708	3.4
99.04527	3.6
99.08141	3.6
105.07049	10.6
107.04964	52.5
107.08606	27.5
109.06503	6.7
109.10184	5.3
111.04443	23.5
111.08086	10.2
117.07014	21.2
119.08598	18.4
121.06519	4.2
121.10152	38.5
129.07007	3.6
130.07805	5.5
131.04919	5.7
131.08571	13.8
132.05711	3.3
133.10155	5.0
135.08067	4.4
135.11725	39.1
137.33578	2.5
140.76437	2.5
145.06520	7.1
145.10124	41.0
145.11288	2.2
147.08035	5.1
149.09642	6.5
153.12729	12.2
155.08556	14.0
163.11189	61.4
173.09642	36.5
181.12277	20.6
191.10657	27.8
209.11729	20.1
227.12801	26.5
265.14377	100.0
277.02551	2.3
283.15424	62.3
301.16507	48.6
427.24612	3.2
463.26898	2.5
473.25302	16.1
491.26532	20.8
509.27368	9.8
527.28815	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37586	1.0
53.03957	2.6
53.19963	1.0
55.05521	6.5
56.05036	2.7
57.03439	1.2
58.99595	3.4
65.03935	1.2
67.05517	20.6
67.05848	2.1
69.07076	10.1
70.01828	1.4
70.02168	4.3
70.06601	1.8
71.04996	2.1
72.08168	2.2
74.00676	2.0
76.02242	4.6
79.05501	31.0
81.07064	26.9
82.17420	1.1
83.04998	2.7
83.08633	6.8
84.04516	27.5
84.08163	1.5
85.02921	1.9
86.09722	2.3
88.04002	3.2
91.05491	15.0
93.07059	45.7
95.04995	2.1
95.08614	18.4
97.06560	1.8
97.10204	3.0
102.05594	1.2
105.07044	16.3
107.04968	1.4
107.08609	31.3
107.09319	2.1
109.06555	1.5
109.10168	8.3
111.02689	1.6
111.08117	1.7
113.04173	1.1
117.07014	5.2
119.08596	11.3
121.10153	17.7
122.02733	14.7
123.02660	1.1
123.08095	1.2
123.11729	2.9
129.07053	2.3
130.05016	11.5
131.08589	8.5
133.10147	11.5
135.11705	23.8
137.04245	1.2
139.05763	1.4
142.03233	5.3
143.08574	3.7
145.10114	7.8
147.11703	9.8
149.13269	15.3
156.06525	2.1
157.10143	3.1
159.11696	3.6
161.13274	6.6
163.11206	1.8
163.14861	3.1
171.07669	2.5
171.11748	4.6
173.13264	3.3
175.11255	1.6
175.14838	2.6
179.08890	1.0
181.12321	1.3
185.13315	3.9
188.03824	3.8
189.12831	2.4
193.12314	1.4
195.11737	1.1
195.13780	1.1
199.14751	2.4
207.13846	2.1
209.15379	1.4
213.16312	1.4
217.08238	2.6
221.15445	2.2
234.04256	1.5
235.16908	2.7
238.33730	1.4
241.19473	3.7
249.05482	2.9
251.07007	13.4
259.20700	6.7
275.20099	5.3
277.21652	100.0
278.21802	1.3
291.17838	3.2
295.22815	3.4
309.18900	10.8
328.15979	2.6
337.87054	1.2
352.23062	1.7
370.24243	2.2
380.22665	2.7
381.21109	4.9
383.11057	1.3
389.94806	1.1
398.23636	15.4
399.21811	5.8
416.24640	17.7
450.39807	1.2
509.26749	1.8
527.27905	6.8
545.28851	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47794	1.0
53.34492	0.9
55.01865	2.7
55.05507	2.4
56.05030	1.1
57.03423	2.1
57.98795	1.3
58.99303	1.1
58.99590	19.0
59.05010	8.7
59.20728	1.0
64.16967	1.1
67.05509	5.5
68.29213	0.9
69.03411	1.4
69.07058	4.6
70.06586	3.9
72.08166	1.4
72.47471	1.0
73.02921	0.9
74.62122	1.1
76.02232	83.5
76.04023	2.4
79.05499	6.0
80.05018	1.0
81.03411	2.7
81.07068	5.7
83.04973	1.7
83.06080	1.2
84.04503	20.3
84.08145	1.3
85.02900	1.6
86.09695	3.2
86.99052	4.0
88.02200	2.4
91.05489	6.9
93.07052	7.5
95.04961	2.9
95.08598	3.6
97.02885	1.2
97.06516	2.8
98.06027	1.3
105.07024	8.3
107.04961	3.2
107.08588	6.5
109.06509	2.7
115.07577	5.1
116.01684	25.2
117.07005	4.9
117.09160	3.1
119.08624	4.7
121.06479	6.2
121.10118	1.6
123.08071	4.2
124.07590	1.2
125.05955	2.3
129.06677	2.0
130.04985	5.4
131.08586	7.4
133.06442	1.5
133.10127	3.8
135.08076	9.9
135.11638	1.7
142.03244	6.9
142.08606	4.2
143.08542	2.0
144.01152	14.4
145.06401	1.7
145.10088	3.6
147.08015	1.3
147.11693	2.1
149.09624	2.0
149.13277	2.6
151.07521	5.4
157.10146	3.6
159.08076	2.2
159.11697	7.7
160.09689	2.5
161.09566	1.9
162.02208	42.9
163.07545	6.1
169.08589	2.8
170.02692	2.6
173.13261	3.1
175.11227	3.0
175.13260	1.3
177.09145	1.9
177.12755	3.4
179.04863	100.0
181.08658	5.8
183.11690	3.0
187.05371	3.2
191.14320	2.9
201.12715	5.7
215.04930	1.6
219.13815	6.7
223.13277	1.2
226.82533	1.0
233.05923	14.7
235.13329	8.0
237.14850	41.4
241.14157	1.4
245.05907	2.8
267.08719	1.0
291.06494	2.9
294.15179	1.3
308.09134	19.6
312.16281	10.3
343.45645	1.4
397.18045	7.1
415.18478	1.7
425.36841	1.3
463.78983	1.1
469.20306	4.9
544.23145	4.6
554.25800	1.2
560.35754	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92701	0.5
55.05506	2.1
56.05033	1.3
56.89117	0.6
60.04515	0.9
61.02916	0.8
65.03942	0.9
67.05499	2.1
67.89065	0.6
68.05034	2.2
68.99790	1.3
69.03426	0.9
69.07060	1.0
70.06599	26.9
71.05008	1.1
71.50417	0.7
72.08157	9.9
81.07026	0.7
81.76189	0.6
82.06608	0.6
83.04987	3.9
84.04507	2.3
84.08138	4.0
85.02924	1.9
85.26656	0.6
86.09714	12.6
87.05580	0.8
87.31480	0.7
91.05494	1.0
91.45326	0.6
97.02925	0.6
98.06057	1.0
98.90561	0.7
99.04479	1.4
101.07059	0.8
105.07061	3.9
107.08569	0.8
110.07136	0.6
111.04449	2.2
112.03961	0.9
114.05543	7.0
116.07114	2.2
120.08138	3.1
129.10268	2.5
133.10155	2.8
140.07053	1.4
143.08588	0.8
152.06219	6.3
155.08522	0.8
158.08163	1.2
161.09662	2.9
163.11240	1.5
165.07036	5.7
166.07741	1.3
167.08582	9.9
169.06496	1.6
171.14975	1.0
176.09227	2.0
179.08752	0.7
179.10669	2.4
183.08054	1.9
187.03934	0.8
187.10817	1.0
189.09155	0.7
193.06401	4.8
195.08118	1.6
199.14467	0.8
199.18092	1.2
202.07791	1.0
205.10202	0.8
206.09731	1.3
209.06035	0.7
210.09239	0.7
211.07605	5.4
211.09653	0.7
213.05391	1.2
217.10178	1.6
218.09781	1.0
224.10594	0.9
226.08551	0.8
228.10492	0.6
229.08600	1.0
229.15543	2.1
232.11314	0.7
234.09152	2.3
234.12711	2.9
235.11191	0.9
236.07126	0.9
237.05502	2.6
238.02785	0.6
238.08640	0.8
239.07089	2.2
240.10237	0.7
245.09763	0.7
247.10069	1.1
250.08702	5.9
250.12238	0.9
251.09399	5.6
251.13268	0.8
252.10181	1.6
252.13765	1.4
254.08154	1.9
254.11705	1.5
255.06517	3.2
255.08989	4.2
256.09784	2.5
257.03375	0.7
260.10736	1.2
261.11655	0.7
262.09741	0.6
262.12277	3.1
264.10229	2.6
265.10934	0.8
266.08020	0.6
268.09683	1.6
278.08185	3.9
278.11826	11.5
279.12616	4.9
280.10223	1.1
280.13324	11.3
282.11380	1.4
283.08496	1.1
286.46146	0.8
288.10245	1.9
290.11716	0.7
295.11798	0.9
296.09286	35.0
296.12827	6.4
297.09753	1.4
297.13663	2.0
298.14462	1.5
300.08698	7.9
306.11276	13.7
307.12173	0.9
308.12845	1.9
310.10788	0.7
311.11508	1.0
314.10300	0.8
314.13873	1.0
314.17166	1.1
324.08890	1.9
324.12299	37.2
325.12918	1.5
326.13919	1.6
334.10779	2.9
341.08948	1.2
342.09735	3.1
342.13382	32.3
343.13760	0.7
352.11829	69.8
353.12347	0.8
366.17715	0.6
370.12830	9.2
424.13947	10.7
434.16336	1.0
452.17065	2.7
469.13663	0.7
470.13947	2.6
470.18356	4.1
480.16623	8.1
498.17661	12.1
499.18027	0.9
515.14471	1.9
516.19196	5.4
526.17078	10.8
544.18121	100.0
545.18585	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.05512	15.6
57.03435	4.8
57.07085	3.9
59.05002	2.4
60.23801	1.3
65.03959	2.2
67.05508	32.8
69.07075	15.8
69.91593	7.3
70.54659	1.2
71.04987	3.3
71.08640	1.5
79.05498	29.0
81.07060	46.1
83.04989	1.6
83.08629	7.9
89.06064	1.7
91.05487	27.0
91.06021	2.0
93.07047	32.0
94.77265	1.6
95.04986	2.7
95.08615	36.0
97.06570	3.9
97.10205	4.9
98.20788	2.9
99.08120	2.4
105.07048	23.1
107.04990	2.2
107.08591	19.9
109.06564	2.3
109.10166	12.7
111.08155	2.0
117.07017	13.5
119.08586	24.0
119.09354	1.6
121.10163	19.8
123.08148	1.5
123.11755	6.4
125.09648	2.5
128.06276	1.6
129.07039	8.9
131.08575	19.6
131.09401	1.8
133.10136	23.9
135.08110	1.5
135.11705	13.7
141.07022	2.2
143.08606	9.1
144.09348	1.7
145.10126	22.1
145.11147	1.8
147.11708	13.9
149.09624	1.9
149.13341	4.5
155.08624	4.5
157.10135	11.1
159.11690	15.9
161.12192	1.3
161.13271	8.4
163.11244	2.5
163.14809	1.5
169.10193	4.3
171.11743	10.8
173.13257	11.6
175.14926	4.4
181.10265	2.0
183.11740	6.1
185.13275	8.4
187.14796	7.3
189.16461	3.2
195.11795	2.2
197.13345	6.1
199.14966	5.1
201.16493	6.2
203.14380	1.5
203.17992	2.2
209.13354	1.7
211.14841	2.6
213.16493	4.2
215.14500	1.5
215.17888	2.1
219.17500	2.8
223.14903	2.1
225.16518	2.0
227.12926	5.1
227.17928	3.5
229.15913	1.6
229.19580	1.8
231.17569	2.3
239.18062	2.0
241.19704	2.2
251.18092	1.6
253.19937	1.8
257.19141	2.5
267.21094	1.5
275.20056	1.9
313.12027	1.6
321.22446	1.6
416.81821	1.4
451.35895	9.2
469.36783	1.9
473.32785	2.2
525.39709	10.6
543.40656	100.0
544.41174	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	543.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01581	0.9
51.02364	1.0
51.73232	0.6
53.03945	3.9
55.01886	3.0
55.05518	13.0
57.03421	2.6
57.07063	2.5
65.03926	2.1
67.05511	34.0
69.03413	1.8
69.07071	9.4
70.07542	2.6
71.05012	3.2
77.03906	0.8
78.65697	0.6
79.05501	46.4
81.03430	3.0
81.07065	35.1
83.04993	3.5
83.08631	8.4
85.06538	1.3
91.04909	0.8
91.05489	23.6
93.07054	56.2
95.04433	0.9
95.04977	8.0
95.08617	41.8
97.02888	2.9
97.06516	3.2
97.10143	2.2
99.04494	3.0
99.08047	0.8
105.04503	1.7
105.06321	0.8
105.07038	17.6
107.04973	7.1
107.08605	36.4
109.06548	3.0
109.10156	7.0
111.04429	0.8
111.08071	1.8
115.05389	1.5
117.07028	12.2
118.75938	0.6
119.08589	14.9
121.06512	6.3
121.10159	21.4
121.51387	0.5
123.11707	0.8
125.06002	1.7
125.09638	1.0
129.06987	1.8
130.07756	1.8
131.08594	6.4
133.09407	0.7
133.10147	6.2
135.08054	1.9
135.11703	43.7
137.09612	0.7
137.13249	1.0
139.07544	1.8
143.08554	1.7
145.10138	28.1
147.11711	3.3
149.13281	3.5
153.12759	1.1
159.11711	2.5
161.13284	2.3
163.11195	50.8
173.09651	1.2
173.13258	2.4
175.14862	0.6
181.12245	11.7
187.14799	1.5
209.11827	2.3
227.12802	100.0
228.13142	1.4
243.21078	1.9
248.01288	0.6
261.22232	6.9
317.24896	2.9
525.35553	1.1
543.36865	50.9
544.36938	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	543.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.9
53.03948	4.3
55.01881	3.0
55.02092	0.6
55.05513	15.8
57.03441	2.8
57.07054	1.8
64.23737	0.6
65.03936	1.7
67.05508	37.9
69.03421	1.6
69.06740	0.7
69.07074	10.4
70.75478	1.2
70.75852	1.2
71.04999	3.4
71.08618	0.6
73.02893	1.0
77.03909	1.1
79.05498	50.7
81.03439	2.8
81.07060	35.1
83.04998	3.0
83.08237	0.6
83.08629	7.8
85.06529	0.9
91.05485	23.6
93.07050	59.7
95.04971	9.0
95.08614	42.4
97.02890	3.8
97.06535	4.3
97.10141	1.3
99.04457	3.3
103.05464	1.1
105.04482	2.3
105.07034	15.2
107.04968	8.6
107.08600	37.5
109.06513	2.7
109.10163	7.9
111.04452	1.2
111.08075	2.0
115.05424	1.4
117.07023	11.0
119.06088	0.7
119.08588	15.5
121.06522	4.8
121.10151	23.2
123.08069	0.9
123.11677	1.7
125.05975	2.5
129.07010	1.1
130.07806	2.4
131.08582	6.7
133.10149	7.1
135.08025	2.3
135.11699	47.6
139.07523	1.7
143.08580	1.4
145.10129	29.5
147.11700	3.5
149.13275	3.6
153.12790	1.1
159.11736	3.4
161.13240	2.1
163.11191	59.7
166.63879	0.6
171.11552	0.6
173.13255	2.0
175.14836	1.1
181.12256	14.3
185.09685	0.6
209.11668	2.9
227.12798	100.0
243.21001	0.9
261.22156	5.6
292.72626	0.6
317.24829	1.7
383.68814	0.7
423.49414	0.7
522.79010	0.6
525.36304	0.9
532.42096	0.6
539.17035	0.6
543.36835	45.6
544.37048	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	543.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.5
55.01874	4.5
55.05233	1.1
55.05512	17.9
57.03451	4.5
57.07067	2.6
59.05014	1.6
65.03938	3.6
65.37396	0.9
67.05509	46.8
69.03424	3.6
69.07073	13.1
69.22760	1.2
69.23105	9.4
71.04984	2.8
73.02901	0.9
77.03942	1.5
79.05497	59.3
81.03416	4.0
81.07059	45.2
83.05005	5.8
83.08624	12.4
85.06562	1.2
91.05488	34.2
93.07052	70.3
94.07349	1.1
95.04978	10.4
95.08614	56.4
97.02901	5.1
97.06532	4.0
97.10172	2.0
98.20702	1.8
99.04444	3.8
99.08086	1.6
103.05444	1.5
104.10716	2.1
105.04513	1.9
105.07039	24.0
107.04954	7.3
107.08604	42.3
109.06519	3.3
109.10161	9.7
111.04461	2.3
111.08086	2.2
115.05444	2.3
116.06228	1.5
117.07027	19.1
119.08584	21.5
121.06519	7.1
121.10152	23.1
123.11726	2.6
125.05994	1.7
128.06200	1.7
129.07024	2.5
130.07820	3.3
131.08578	12.8
133.10139	12.6
135.08057	2.9
135.11703	53.0
136.12132	1.4
137.09639	1.5
139.07550	2.0
141.07002	1.1
143.08582	2.7
145.10130	34.9
147.07996	1.4
147.11697	6.3
149.09654	3.2
149.13277	4.1
155.08534	1.5
157.10193	2.6
159.11673	5.7
161.13263	3.4
163.11194	55.5
169.10124	1.6
171.11711	2.6
173.09612	2.7
173.13310	4.2
181.12227	14.5
183.11684	1.9
185.13338	1.8
187.14819	1.1
191.10709	2.3
209.11775	3.4
227.12798	100.0
228.13159	1.1
243.21098	2.6
245.19176	1.0
259.20627	1.0
261.22174	7.4
274.43253	1.0
275.20013	1.1
317.24783	1.8
370.57404	1.1
433.31158	1.3
451.31805	2.2
525.35706	2.8
543.36853	64.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.4
53.03948	5.9
53.83920	1.1
55.01868	4.2
55.05270	1.2
55.05515	16.8
57.03440	2.2
57.07068	1.4
65.03941	3.0
66.33809	1.1
67.05512	40.7
69.03429	2.4
69.07079	11.3
69.44595	7.7
71.04991	3.9
73.02922	1.3
77.03929	1.7
79.05502	54.9
81.03415	4.3
81.07063	40.2
83.04977	4.2
83.08624	7.6
85.06533	2.3
90.05914	1.0
90.80730	1.1
91.05490	31.0
92.24848	1.2
93.07052	63.6
95.04978	10.0
95.08616	51.9
95.09083	0.8
95.09251	1.4
97.02897	4.4
97.06512	4.2
97.10141	2.0
98.20707	1.9
99.04455	2.7
105.04507	2.2
105.07042	20.4
107.04958	9.0
107.08607	40.9
109.06556	2.9
109.10181	9.4
111.04424	1.2
111.08091	1.9
115.05493	1.1
117.07026	15.1
119.07801	1.8
119.08596	17.5
121.06528	5.6
121.10149	24.8
123.11676	1.8
125.05978	1.7
125.09686	1.2
129.07016	2.9
130.07777	2.2
131.08591	14.8
133.10133	10.9
135.08051	2.8
135.11705	52.3
143.08636	2.1
145.10136	31.1
147.08078	1.3
147.11714	4.6
149.09636	3.7
149.13271	3.8
151.11147	1.4
153.12796	1.4
155.08562	1.3
157.10117	1.3
159.11765	5.6
161.13266	3.2
163.11200	57.9
171.11592	1.4
173.09653	2.2
173.13292	4.3
175.14848	1.5
181.12238	15.3
183.11650	1.5
185.13327	1.4
191.10683	2.3
193.12148	0.9
209.11726	5.5
227.12799	100.0
243.21155	1.4
260.88644	1.2
261.22238	7.3
317.24893	3.2
422.02393	1.1
433.30963	1.1
469.33102	1.4
515.38849	1.1
525.35889	3.6
542.14215	1.1
543.36835	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	4.5
53.03941	14.1
55.01866	22.2
55.05519	21.3
57.03441	9.5
59.05008	5.5
67.05510	58.5
69.03425	6.4
69.07076	13.1
70.63141	12.1
70.84280	5.6
72.08157	6.3
79.05500	54.7
81.03417	15.6
81.07059	49.3
83.05001	25.9
83.05399	4.4
83.08609	15.3
85.02893	4.3
85.06541	8.1
91.05480	43.2
93.07060	50.4
95.04948	17.9
95.08585	14.2
97.02874	5.0
97.06523	15.3
99.00837	20.7
99.04455	5.6
105.07033	26.9
107.04958	38.0
107.08601	29.4
109.02883	17.1
109.06547	7.4
109.10204	10.5
111.04455	28.8
111.08087	12.0
115.07845	3.8
117.07014	17.2
119.08556	26.1
121.06499	13.6
121.10161	40.0
127.36433	4.3
128.06264	6.1
129.07024	6.3
131.04941	5.2
131.08597	9.9
133.10097	33.9
135.08034	7.1
135.11711	36.0
143.08551	5.7
145.06470	8.8
145.10126	41.2
147.08104	7.1
149.09599	7.9
151.11224	15.5
153.12762	12.2
155.08513	10.6
161.09612	14.9
163.11195	51.4
173.09624	32.7
179.10687	10.7
181.12192	24.3
189.09093	6.1
191.10692	26.1
203.00037	4.8
209.11655	15.0
225.11153	23.2
227.12717	21.7
265.14392	100.0
281.13855	7.0
283.15399	66.4
289.23181	4.9
299.14877	60.1
301.16391	37.6
375.15829	4.7
489.24881	5.6
507.25766	47.5
525.26953	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35654	5.3
53.03944	12.9
55.01872	25.1
55.05508	23.5
57.03440	11.0
57.95008	6.8
62.62070	5.2
67.05507	76.9
69.03429	10.3
69.07066	15.3
70.06588	18.2
71.01346	8.2
71.50377	7.7
71.50725	8.7
71.88863	5.6
72.08149	13.0
79.05503	67.3
81.03427	18.2
81.07056	79.6
81.53850	6.3
83.05000	36.9
83.08614	14.8
84.08150	11.6
85.02907	10.4
86.09696	8.3
91.05493	65.5
92.78960	6.6
93.07055	74.8
95.04996	36.0
95.08617	27.4
97.02872	6.9
97.06567	31.1
99.00829	21.2
105.07054	46.1
107.04958	56.0
107.08595	41.1
109.02910	13.6
109.06550	10.8
109.10166	20.4
111.04469	53.8
111.08099	12.7
117.07016	22.1
119.08589	31.3
121.06525	13.2
121.10170	47.1
127.03931	7.4
128.06171	8.8
129.07042	12.1
131.04962	8.2
131.08585	23.1
133.10136	52.5
135.11717	36.7
139.07579	6.0
143.08556	9.8
145.06528	12.4
145.10147	56.1
149.09624	14.5
151.11206	17.4
153.12781	20.0
155.08609	13.7
156.76639	6.2
161.09657	27.1
163.11151	53.2
173.09650	33.8
179.10706	15.0
181.12241	27.0
189.09108	10.7
191.10681	38.4
197.11781	14.2
209.11769	25.7
225.11237	15.5
227.12796	31.9
243.12271	8.0
257.78375	6.4
265.14374	100.0
283.15439	56.6
299.14847	49.8
301.16586	35.7
308.79416	6.2
341.10205	7.1
400.98181	7.6
507.25858	45.5
525.26953	74.2
543.28522	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.2
55.01863	2.3
55.05512	11.2
56.05029	3.4
57.03438	2.4
58.99585	8.0
59.05000	2.8
62.29431	1.5
65.03929	1.5
67.05504	20.9
69.03430	2.1
69.07063	12.9
69.43833	2.6
69.44241	6.5
70.06574	2.0
71.05000	2.2
72.08147	2.5
76.02229	19.6
79.05492	14.1
80.05016	2.4
81.07060	25.8
83.04965	5.4
83.06091	1.6
83.08607	5.0
84.04507	68.8
85.06529	1.9
86.99055	4.0
91.05477	20.1
93.07051	19.0
95.04980	6.2
95.08612	17.9
97.06514	3.1
97.10153	2.9
102.05524	3.0
105.00098	7.4
105.06396	2.1
105.07032	25.0
107.04967	6.0
107.08605	14.1
109.06541	9.2
109.10153	5.0
111.08064	2.7
117.07013	7.0
119.08580	14.5
121.06516	9.2
121.10161	9.8
122.02736	80.0
123.04348	1.4
123.08069	5.1
123.11678	2.8
125.09627	2.0
129.06993	2.4
130.05005	23.7
131.08571	17.4
133.06497	2.8
133.10121	16.5
135.08032	5.3
135.11687	6.6
137.09621	2.3
141.07028	1.6
142.03217	10.8
143.08534	3.6
145.06490	2.4
145.10153	12.4
147.08023	4.2
147.11668	11.6
149.09596	5.5
149.13255	2.6
151.11206	3.0
157.10114	4.1
158.54817	1.3
159.08044	3.1
159.11729	9.1
161.09625	3.7
161.13219	3.7
163.11157	5.5
169.10136	1.5
170.02744	1.5
171.11693	3.4
173.09621	3.3
173.13251	4.2
175.11201	2.6
177.12766	1.8
183.11743	1.9
185.13240	2.0
187.05322	1.4
188.03772	11.7
189.12737	1.7
190.05299	2.6
191.14273	3.0
197.13113	2.1
201.12708	4.6
203.86198	1.2
207.13799	6.5
215.14189	1.9
215.17888	2.3
219.13751	4.3
228.78970	1.4
229.19446	2.0
233.05930	7.9
233.18811	1.8
234.04327	15.0
239.17879	2.3
247.20537	2.4
251.06982	92.2
257.19055	11.9
273.18509	1.6
275.20078	100.0
291.19574	2.1
293.21127	83.7
376.24908	1.5
525.25897	2.8
543.18823	1.7
543.27222	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	0.6
55.05519	3.6
57.07082	32.7
59.04994	1.6
60.55988	0.6
62.45129	0.5
67.05508	5.0
69.07088	3.0
71.08636	24.1
73.02918	0.7
73.06555	7.5
79.05506	4.0
80.05834	1.1
81.07063	5.0
83.08627	3.1
85.10188	20.3
87.04461	4.9
89.06037	100.0
91.05503	3.2
92.05816	1.0
93.07055	3.4
94.07395	0.8
94.73169	0.6
95.04997	1.3
95.08651	3.5
97.10178	3.6
99.11729	3.6
105.07051	1.9
107.07088	1.2
107.08607	1.7
109.06506	0.7
109.10162	1.9
113.13303	2.0
115.63181	0.6
117.07042	1.0
117.09154	6.4
119.08581	1.7
121.10189	1.5
126.58382	0.6
129.07018	0.9
130.08655	2.0
131.07066	1.5
131.08592	1.3
133.08614	49.4
133.10219	1.5
135.10138	0.9
135.11725	0.8
145.10194	0.9
147.11676	1.0
151.09819	0.6
155.17975	3.8
157.10185	0.8
159.11732	0.7
161.11760	1.4
171.11736	1.2
173.13252	0.8
177.11238	17.5
190.33730	0.6
195.12383	0.7
199.20590	4.5
216.61765	0.6
221.13899	3.2
239.14827	0.9
243.23203	7.0
283.17667	2.1
287.25708	4.2
324.17944	0.6
327.20129	1.3
335.77750	0.6
371.22830	4.3
440.60965	0.6
451.32053	0.9
525.40570	6.2
542.39258	2.7
543.37000	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	541.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01608	1.1
53.03951	8.8
55.01866	3.8
55.05515	23.6
57.03437	5.1
57.07082	6.0
59.04988	3.1
63.89305	1.1
65.03955	5.7
67.05509	72.2
69.03430	2.3
69.07075	21.4
70.06587	1.6
71.04990	2.8
71.08636	4.1
71.50860	1.7
77.03914	1.6
79.05498	93.5
79.49118	1.2
81.03420	2.8
81.07063	73.0
83.04996	4.6
83.08627	10.7
85.06553	2.5
88.07646	3.5
89.06040	3.3
91.05487	68.4
93.07049	93.4
95.04975	10.6
95.08614	55.1
96.08935	1.4
97.06563	5.8
97.10165	3.2
99.08090	4.1
102.09190	2.8
103.05453	1.6
105.04531	4.9
105.07038	36.5
107.04996	2.7
107.08602	33.2
109.06499	4.1
109.10170	18.9
111.08081	2.8
115.05460	3.2
116.06292	1.5
117.07028	21.2
119.08590	34.0
121.06501	2.9
121.10149	53.2
123.08093	2.8
123.11716	4.1
124.47788	1.3
125.09627	2.2
128.06212	2.0
129.07005	11.2
131.08574	25.1
133.10155	21.0
135.08061	3.0
135.11719	11.3
137.09627	4.7
141.06993	2.3
142.07741	1.5
143.08586	9.8
145.10147	17.0
147.08066	1.9
147.11691	12.4
149.09679	1.7
149.13324	3.6
155.08578	3.2
157.10167	9.1
159.11726	7.9
161.09622	1.5
161.13234	6.2
169.10175	3.3
171.11690	6.1
173.13269	7.4
175.14827	3.4
181.10124	1.6
183.11714	2.6
185.13298	1.7
187.14920	2.6
189.12743	2.8
189.16484	6.3
195.11783	2.0
197.13235	2.5
199.14885	6.6
209.13365	1.5
211.14880	2.2
215.17995	4.0
217.15837	6.4
221.13406	2.0
225.16414	1.2
233.19154	2.3
235.15056	1.3
235.16930	7.0
256.26428	4.1
257.26730	3.5
285.29901	1.9
289.21622	1.8
291.19656	3.5
307.22729	3.7
311.29462	4.0
312.29907	3.9
429.30197	1.6
431.33078	1.6
449.34198	5.2
467.23886	1.4
467.35422	1.5
467.57114	1.2
523.37952	4.7
540.53589	4.2
541.38959	100.0
541.53082	16.7
542.39386	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	540.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	4.3
57.07080	46.1
58.06615	1.3
59.05001	0.9
67.05507	1.7
69.07073	5.6
70.06603	9.9
70.63292	0.7
70.63647	1.8
71.08635	34.3
73.02942	1.0
73.06557	6.6
81.07069	2.8
83.08630	5.9
85.10188	20.8
87.04478	3.6
88.07638	12.9
89.06036	100.0
91.07610	1.1
95.08617	2.0
97.10175	4.5
99.11741	3.3
102.09180	10.6
107.07053	1.2
109.10152	0.7
111.11726	2.9
113.13310	1.8
116.66066	0.6
117.09145	4.0
125.09959	0.6
125.13308	1.4
127.14835	1.9
130.08626	1.3
131.07045	1.8
133.08611	48.6
139.14793	0.9
141.16403	1.1
177.11235	16.5
195.12335	0.7
197.22696	1.9
221.13899	3.2
239.14825	1.5
241.25319	2.1
244.06635	0.7
256.26364	27.5
256.29089	1.3
265.16418	0.7
274.27466	2.5
283.17529	2.7
283.26306	6.2
284.29517	6.4
285.27875	5.7
311.29456	27.9
327.20169	9.5
329.30573	2.7
391.34512	0.7
435.36502	1.1
479.39740	1.2
517.73004	0.7
523.42090	8.7
540.34204	2.0
540.53522	66.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.3
53.03944	6.8
55.01872	3.6
55.05514	26.3
57.03429	3.5
57.07077	14.8
57.83999	1.1
59.05014	1.3
65.03941	4.1
67.05507	66.7
67.33184	1.3
69.03426	2.7
69.07073	25.8
69.07420	0.9
69.84315	1.4
70.06588	10.7
71.04996	1.7
71.08626	6.7
73.02928	2.4
79.05495	56.7
81.03416	3.0
81.07057	100.0
83.04977	5.0
83.08626	18.8
85.06553	2.0
85.10176	4.4
88.07640	12.5
89.06017	1.4
89.07973	1.8
91.05482	61.1
93.06415	1.2
93.06592	0.9
93.07043	64.7
95.04974	21.3
95.08611	69.5
97.06538	4.6
97.10168	7.0
99.08094	2.7
101.06004	2.1
101.13369	1.0
102.09192	9.3
103.05453	2.4
103.09515	1.2
105.04546	2.0
105.07033	50.7
107.04974	5.6
107.08596	44.7
109.06521	14.2
109.10161	38.3
111.08070	2.6
111.11710	3.2
115.05451	2.2
116.06197	1.1
117.07014	15.8
119.06169	1.2
119.08586	48.4
121.10146	36.9
123.04461	0.9
123.08084	3.1
123.11694	14.6
125.09642	3.6
128.06233	3.9
129.07007	19.8
130.07816	1.4
130.09605	1.2
131.08559	19.4
131.10123	1.0
133.10129	29.6
135.08118	2.5
135.11685	22.6
137.09602	4.4
137.13278	3.8
141.06978	3.4
142.07793	2.5
143.08577	16.4
145.10121	27.8
147.08058	1.7
147.11685	21.5
149.13249	15.8
155.08571	5.5
156.09355	2.6
157.10152	12.0
158.10867	1.4
159.11697	21.1
161.09616	1.7
161.13254	18.8
163.14844	7.3
163.16182	1.2
165.08934	1.1
169.10153	8.3
171.11693	19.1
173.13269	14.5
175.14832	8.3
177.12709	1.5
177.16354	5.2
179.08621	1.2
181.10078	3.0
183.11699	6.7
185.13211	7.6
187.14813	8.2
189.12708	6.4
189.16383	8.8
191.17993	1.7
195.11670	3.7
196.12363	1.2
197.13269	5.8
199.14880	7.5
201.16414	7.4
203.17984	5.4
207.11766	1.4
207.13773	3.1
209.13258	3.6
211.14809	4.6
213.16336	6.9
215.18010	7.5
217.15987	1.3
217.19536	3.2
221.13348	1.2
225.16374	3.5
227.17947	4.4
229.19586	4.2
231.21095	1.8
235.16901	13.6
237.16386	2.4
239.18025	3.6
241.19551	4.6
243.21164	3.5
249.16426	1.4
251.17998	1.5
255.21031	3.9
256.26346	18.3
257.22601	2.0
257.26688	9.7
261.22241	2.4
263.16510	1.6
267.21057	2.1
269.22699	3.1
271.24164	2.5
281.22693	2.8
283.23883	2.5
283.26685	2.3
284.26572	3.0
284.29602	4.8
285.29865	4.3
295.24200	1.8
297.25766	1.8
311.29468	19.2
312.29785	11.7
317.24811	1.8
323.27228	1.8
335.26898	1.6
337.29092	1.4
339.30319	1.3
349.28860	2.0
361.83911	1.4
377.32135	1.7
417.35107	2.2
419.36710	1.6
449.34024	3.3
467.35248	3.6
485.41269	2.0
523.37592	4.2
540.53442	19.5
541.38702	66.4
541.47400	55.2
541.54004	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.7
56.94138	0.6
57.07078	40.3
59.05005	18.9
67.05499	1.2
69.03400	0.6
69.07069	4.7
70.06591	2.4
71.08636	32.2
73.06561	7.2
73.67263	0.6
75.04569	0.6
79.05456	0.8
81.07056	1.9
83.08626	3.0
85.10186	19.3
87.04470	19.4
87.04984	1.3
88.07644	3.6
89.06033	47.3
93.07045	0.8
95.04963	0.7
95.08613	2.0
97.10146	4.1
99.11718	3.1
102.09184	1.9
103.03945	100.0
103.07584	22.6
104.04395	0.7
105.07082	0.7
107.07072	1.5
111.11732	2.1
113.13290	2.0
117.09143	5.0
119.07076	1.7
121.08644	2.7
125.13273	1.3
127.14829	1.7
131.07063	4.7
133.08607	17.4
142.15279	0.6
144.06618	0.9
147.06517	9.6
147.10179	7.6
163.09668	3.7
175.09703	2.7
177.11261	5.3
183.21155	3.4
191.09155	5.3
191.12767	1.0
207.12335	4.2
209.13777	3.0
219.12309	1.1
221.13840	1.7
227.23747	2.4
229.16609	0.7
234.76997	0.7
235.11841	5.3
239.14865	0.9
256.26379	6.0
271.26367	8.5
274.27438	0.7
279.14325	1.0
283.26404	1.5
284.29480	1.3
295.17548	3.1
311.29431	6.8
313.18408	1.8
315.28906	3.7
323.17123	1.0
341.14359	0.9
341.18073	5.6
421.35449	0.7
458.20529	0.7
523.38611	3.5
540.40503	2.1
540.53448	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69770	1.8
53.03951	3.2
55.01852	2.2
55.05517	16.6
57.03440	9.9
57.07081	39.1
67.05507	25.2
69.07074	19.6
69.19877	15.7
69.20290	4.5
71.04980	3.6
71.08639	24.5
79.05499	27.2
81.03437	2.5
81.07064	33.9
83.04981	4.3
83.08624	12.9
85.10189	15.3
89.06020	5.4
91.05476	9.8
93.07050	36.7
95.04951	7.7
95.08613	51.8
97.02905	2.9
97.06514	2.3
97.10162	5.2
99.04501	4.9
102.57047	1.7
105.04556	1.8
105.07048	11.2
107.05008	4.2
107.08600	28.2
109.10172	11.6
111.04423	2.7
111.08105	2.1
117.07011	7.8
119.08549	10.6
121.06516	6.0
121.10135	20.4
123.11705	4.0
125.05955	2.7
129.06989	2.3
130.07841	2.2
131.08546	3.5
133.08548	2.2
133.10149	4.9
135.10693	3.6
135.11694	49.9
137.13371	2.0
138.95769	2.2
143.08580	2.3
145.10147	25.6
147.11722	2.8
149.13327	2.3
157.10150	2.9
159.11702	2.9
163.11195	53.8
181.12227	8.0
209.11702	3.7
227.12801	100.0
239.23787	4.9
283.15436	38.8
293.58636	1.9
313.27371	88.7
478.76672	1.8
521.38470	53.0
537.84540	1.9
539.39893	8.9
540.53680	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	539.2658
Annotation	Okaramine O
Peak:m/z	Relative Intensity
55.07161	0.3
56.38389	0.3
57.07075	0.4
61.98705	0.4
62.81496	0.4
67.05526	0.3
71.08637	0.4
76.89264	0.3
79.05493	0.4
83.08628	0.3
89.06043	0.3
92.13954	0.4
93.14082	0.3
95.08627	0.5
107.89443	0.3
163.11189	0.4
264.21420	0.3
334.47519	0.3
363.16040	1.1
377.17697	2.3
378.18414	3.0
379.19373	2.0
389.18185	0.6
391.19211	3.2
392.20001	3.6
393.20743	8.4
405.20798	1.6
406.21567	1.7
407.16614	0.5
407.22379	10.2
420.23132	0.6
421.16498	0.6
421.23944	5.1
422.17593	1.6
422.24619	0.5
423.18234	3.2
433.20163	0.6
435.18188	0.6
436.18958	1.5
437.19754	9.0
438.20593	1.4
447.21701	0.5
448.22675	0.8
450.20538	0.7
451.21353	15.7
452.21930	0.8
465.22867	2.6
466.23764	1.7
477.26563	2.8
479.24423	1.1
494.26889	0.8
495.20844	0.6
495.27530	6.1
503.24695	1.7
509.21445	0.4
510.22592	3.9
511.23474	0.5
521.25433	2.2
524.24109	1.2
537.45782	0.4
539.26587	100.0
540.26410	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	537.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.1
55.01876	15.5
55.05524	27.6
57.03437	8.7
57.07074	11.6
57.95271	4.1
61.02934	9.5
62.42516	3.3
67.05506	35.9
68.99788	13.6
69.03437	51.2
69.07073	32.1
69.23294	30.5
71.04998	24.8
73.02919	8.5
79.05496	32.7
81.03419	43.6
81.07059	91.1
83.04994	8.7
83.08626	14.1
85.02911	76.9
87.00837	27.5
89.07047	3.8
91.05482	36.0
93.07056	63.1
95.04970	12.5
95.08616	100.0
97.02891	32.5
97.06504	6.3
97.10197	17.4
98.21527	7.4
99.04449	10.7
99.08076	3.9
103.03929	4.4
105.01877	11.8
105.07041	63.4
107.08596	67.2
109.02880	29.5
109.06489	8.0
109.10171	92.4
111.04469	10.4
111.11726	8.8
115.03945	14.9
117.07026	12.0
119.08599	66.1
121.06519	8.7
121.10146	57.3
121.10944	5.2
123.04433	6.1
123.08101	7.6
123.11723	27.3
125.06004	4.4
125.09666	6.1
127.03924	46.5
127.11196	37.9
128.06284	4.8
129.01849	12.1
129.05446	3.8
129.07019	10.2
131.08614	26.7
133.10117	37.6
135.08083	4.8
135.11697	34.7
137.06030	4.0
137.09618	4.5
137.13237	9.2
140.85802	3.4
141.06935	4.8
142.07782	7.6
143.08542	17.2
144.09332	4.6
145.04962	13.1
145.10129	36.7
147.02901	7.2
147.08076	8.8
147.11670	37.2
149.09628	6.2
149.13260	53.1
153.12741	7.6
155.08588	10.9
156.09309	4.8
157.10109	18.8
158.10938	4.0
159.02913	17.0
159.08043	3.9
159.11722	41.8
159.30257	3.5
161.09662	4.0
161.13275	32.4
163.11140	3.9
163.14835	32.6
169.10193	10.8
171.11705	18.0
173.09621	3.7
173.13313	28.7
175.11198	4.2
175.14778	19.5
177.16382	11.5
183.11754	10.9
185.13295	15.9
187.14815	25.0
189.03998	6.7
189.16385	20.3
191.14304	6.9
191.17978	8.0
193.15909	5.8
195.11740	4.3
195.17320	4.2
197.13283	7.6
199.14836	15.7
201.04044	5.9
201.12704	4.4
201.16351	21.8
203.17995	12.2
207.11786	4.4
209.13351	7.7
211.14803	7.3
213.16435	17.2
215.14307	4.8
215.17975	20.4
217.19508	13.9
225.16406	7.2
227.18015	10.3
231.05066	12.4
237.16365	4.1
239.14293	4.7
239.17906	7.3
257.22552	4.1
259.20432	4.1
259.24210	6.1
261.25781	10.1
269.22690	14.3
271.24210	17.0
283.24451	6.0
287.23730	14.3
289.25256	23.1
293.19144	5.4
301.24997	6.0
311.23560	6.1
313.25354	7.9
355.26352	4.3
379.26291	14.6
397.27325	8.8
428.26559	3.6
483.27087	6.4
501.28372	13.4
519.29462	20.2
537.30469	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	537.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.6
54.43194	4.6
55.05509	24.2
57.03438	5.4
57.07083	9.5
61.02907	4.3
67.05508	33.5
68.99795	5.1
69.03442	63.1
69.07080	33.5
70.57642	14.6
71.05007	24.0
73.02911	6.3
78.13945	5.0
79.05501	32.2
81.03419	32.3
81.07062	100.0
81.09614	5.4
83.04990	7.4
83.08624	13.3
83.52578	4.7
85.02905	44.2
87.00835	21.9
91.05488	24.7
93.07059	49.9
95.04961	5.9
95.08618	74.9
97.02897	34.2
97.10162	12.3
99.04456	18.3
105.01869	6.5
105.07034	63.8
107.08595	70.6
109.02884	28.5
109.10162	69.8
111.04441	7.3
115.01130	5.6
115.03933	5.5
117.07007	10.5
119.08594	67.2
121.06496	7.0
121.10144	52.9
123.11712	27.3
125.09650	6.4
127.03932	48.6
127.11194	38.7
129.01817	6.3
129.06970	8.2
131.08575	20.7
132.11380	4.5
133.10147	32.5
135.08095	5.4
135.11722	29.6
137.13260	8.0
143.08559	12.6
145.04967	8.3
145.10115	32.8
147.02843	5.8
147.11740	26.4
149.13258	50.7
157.10118	16.0
159.11707	40.6
161.13249	31.5
163.14810	32.7
171.11804	5.7
173.13255	25.4
175.11263	4.5
175.14838	20.5
177.16373	12.5
183.11758	6.4
185.13312	11.5
187.14857	30.1
189.16432	17.5
191.17920	11.4
193.15938	5.6
199.14871	5.1
201.16428	20.7
203.17943	27.1
213.16393	10.9
215.18010	22.1
217.19536	14.9
221.40141	4.7
227.17853	6.5
229.19490	5.6
231.05058	25.2
250.27621	5.6
261.25888	8.3
271.24216	52.3
287.23712	10.1
289.25305	17.4
347.20096	4.7
397.27307	5.9
537.30823	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.3
55.05519	25.3
55.76370	3.0
57.03436	7.9
57.07074	5.3
59.81969	3.0
60.08156	5.1
61.02925	3.8
63.73697	3.0
65.03911	3.1
67.05507	43.2
69.03094	3.5
69.03437	43.9
69.07069	25.9
70.00563	10.9
70.06587	4.8
71.05000	6.0
72.08143	3.5
73.02950	3.5
79.05493	28.5
81.03429	35.0
81.07065	100.0
83.01344	3.3
83.04977	3.7
83.08622	11.2
84.08156	4.0
84.63082	2.9
85.02913	46.1
86.09738	19.6
87.00846	22.2
87.04475	7.0
89.06035	7.2
91.05475	20.5
93.07047	55.2
95.04958	7.8
95.08614	72.0
97.02910	56.5
97.06491	4.4
97.10171	3.5
99.04444	15.0
103.05507	3.8
105.01871	11.1
105.06405	4.8
105.07047	57.0
107.08605	64.2
109.02890	13.2
109.06513	6.0
109.10172	62.1
111.08082	5.6
111.11787	4.4
117.07037	9.3
119.08583	61.5
121.06522	3.1
121.10154	50.2
123.08112	3.4
123.11736	21.4
125.00052	16.7
127.03933	42.6
128.06255	3.8
131.08565	22.5
133.10141	43.0
135.08066	5.1
135.11731	27.1
137.05992	4.5
137.13257	6.8
139.11238	6.5
143.08569	6.3
145.04979	18.1
145.10149	39.6
147.11700	31.8
149.13280	33.5
151.14864	4.4
157.10144	6.7
158.10997	3.9
159.11697	42.7
161.09665	5.8
161.13295	35.0
163.14841	28.5
169.10187	3.2
171.11688	5.0
173.13248	25.8
175.14787	20.0
177.16399	4.5
184.07368	50.8
185.07707	13.4
187.14894	19.0
189.16374	17.8
191.18007	7.7
199.15009	4.2
201.16425	24.5
203.18042	6.7
207.45805	3.3
215.17987	25.7
219.17564	3.1
229.19566	8.7
231.05020	15.1
231.21040	15.8
236.09419	3.3
245.05127	4.3
269.22656	4.3
271.24261	81.9
288.74033	3.9
289.25330	19.8
370.27887	3.4
528.92615	3.6
537.76007	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	537.306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06736	3.9
51.72853	4.1
53.03932	11.6
55.05515	20.1
57.07059	6.1
67.05506	37.3
69.03430	41.6
69.07077	23.4
70.57838	9.6
70.58182	6.6
71.04984	5.5
79.05495	29.4
79.38229	4.0
81.03418	30.5
81.07063	100.0
83.08616	18.5
85.02916	36.7
87.00826	32.5
91.05474	24.4
93.07050	52.6
95.04970	6.6
95.08614	65.2
97.02898	62.0
97.10153	9.5
99.04433	15.8
99.58466	4.0
105.01858	13.6
105.07050	56.7
107.08598	80.3
109.02846	4.8
109.10140	56.3
111.08111	5.9
117.06980	10.7
119.08596	57.5
121.10144	62.1
123.11703	28.2
125.09649	4.8
127.03925	42.0
131.08546	21.0
133.10136	41.4
135.11702	25.9
137.13248	9.9
142.78752	4.2
144.09262	8.6
145.04951	13.9
145.10135	42.3
147.11687	39.4
149.13258	43.6
157.10136	5.2
159.11696	50.8
161.13290	39.8
163.14807	27.2
171.11676	4.9
173.13280	37.1
175.14775	24.9
177.16342	10.7
185.13129	5.0
187.14885	20.1
189.16377	21.8
191.17960	10.4
201.16447	29.1
203.17940	11.7
215.17976	30.5
229.19510	9.4
231.04980	10.6
231.21065	19.7
271.24200	94.7
289.25308	27.3
542.34601	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	537.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	15.1
55.01860	13.9
55.05505	17.6
57.03436	8.3
57.07067	3.9
61.02914	9.8
65.03934	4.2
67.05511	32.9
68.99789	5.6
69.03431	47.2
69.07069	23.0
69.18937	3.5
71.04978	6.7
71.09734	6.1
73.02908	15.2
79.05505	30.6
81.03423	48.9
81.06598	5.1
81.07060	100.0
82.03892	3.6
83.08606	11.4
83.62976	3.3
85.02905	76.4
87.00842	34.3
91.05486	22.0
93.06487	5.0
93.07047	64.5
95.04953	5.2
95.08608	64.6
97.02900	31.1
97.06497	4.3
97.10183	5.7
99.04452	10.4
105.01856	20.5
105.07026	46.8
107.08596	66.0
109.02870	41.1
109.10160	40.8
115.03891	5.9
116.20347	3.1
117.01859	4.1
117.06998	10.3
119.08583	50.3
121.10147	55.4
123.11709	25.8
127.03925	65.6
129.01820	8.3
129.06926	4.7
131.08585	22.4
133.10130	33.5
135.11705	38.3
137.13246	8.4
143.08578	3.9
145.05005	20.0
145.10133	31.8
147.11705	31.4
149.13274	36.7
157.10165	7.5
159.02911	26.4
159.11700	34.1
161.13278	33.6
163.14853	22.2
168.62987	3.6
169.10065	4.8
171.11699	6.2
173.13268	25.0
175.14838	16.7
177.16470	6.8
181.10164	5.4
185.13249	3.4
187.14812	14.9
189.16396	17.8
191.17940	5.2
199.03384	3.4
201.16405	16.5
203.18024	8.6
213.16364	5.4
215.18004	23.8
217.19536	3.8
229.19514	5.7
231.04977	8.1
231.21126	17.6
269.22705	13.3
271.24255	66.9
287.23651	4.2
289.25336	16.9
483.27060	4.1
519.29102	6.2
537.30389	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.5
55.01871	8.7
55.05492	24.3
55.48343	6.2
57.07073	8.7
61.02934	6.1
67.05500	36.9
68.99774	7.8
69.03429	67.2
69.07053	31.5
70.85401	15.8
71.04977	24.3
79.05482	37.3
81.03415	33.8
81.07057	100.0
83.04964	6.6
83.08604	14.8
83.80350	5.2
85.02901	45.9
87.00826	23.4
91.05473	21.8
93.07047	60.0
95.08601	73.9
97.02878	31.0
97.10183	9.8
99.04472	12.5
99.08102	6.9
105.01850	6.5
105.07042	50.0
107.08592	70.5
109.02900	14.1
109.10162	79.0
111.04446	7.9
115.03963	5.9
117.06998	8.9
119.08585	61.4
121.10159	45.7
123.11691	23.4
123.55250	5.6
125.09626	8.7
127.03909	29.5
127.11197	37.5
128.06177	5.9
129.06969	5.9
131.08556	22.9
133.10139	37.5
135.08054	7.0
135.11703	27.7
137.13226	7.1
143.08545	13.2
145.04974	7.3
145.10152	33.1
147.11694	31.4
149.13239	45.4
157.10112	19.4
159.11702	44.1
161.13287	26.0
163.14816	36.8
169.10051	6.7
173.13248	23.2
175.14836	17.9
177.16412	7.3
178.31799	5.5
183.11604	6.7
185.13246	9.8
187.14825	21.6
189.16435	17.9
191.17944	8.6
201.16437	15.1
203.17970	21.1
213.16400	8.8
215.18024	15.9
217.19496	12.6
229.19370	5.8
231.04988	17.9
271.24222	40.4
289.25317	15.7
397.27994	6.4
411.27298	5.6
519.29749	8.4
537.30542	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	537.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.3
56.05036	2.7
60.04532	6.9
67.05495	1.3
68.05003	0.4
69.07057	0.8
69.46646	3.3
70.02959	1.3
70.06597	8.4
72.08160	30.0
74.06091	0.7
79.05499	0.9
81.07058	0.6
82.06583	4.9
83.04974	0.6
83.06109	0.9
83.07369	1.3
83.08621	1.2
84.04517	3.0
84.08147	100.0
85.02901	1.1
85.08469	0.8
86.09712	7.2
87.05598	7.9
88.03968	0.5
91.05497	0.8
93.07034	0.9
94.06552	1.0
95.04941	0.5
95.06083	1.2
95.08646	0.6
96.08138	1.2
98.06064	0.6
98.09693	0.6
98.21491	0.7
101.04247	10.1
102.05595	0.7
104.98324	0.7
105.56620	0.4
110.06061	0.7
110.07178	1.1
112.07590	1.0
112.08751	1.0
114.09170	8.5
116.01681	0.9
116.07095	0.6
116.44730	0.4
119.04897	0.7
120.08101	7.2
120.40814	0.4
121.06518	1.0
125.04231	1.0
127.05798	0.9
128.07121	0.5
129.10262	3.5
130.04997	0.9
130.08620	4.7
132.10220	0.5
136.07610	1.2
137.05997	0.6
140.10680	0.4
141.10262	0.6
142.08670	0.4
143.11838	0.7
144.01187	0.6
147.04440	0.5
147.07661	0.5
147.11295	1.9
151.11227	0.7
153.03677	0.7
157.09761	0.5
159.02972	1.1
159.08429	1.4
159.11299	23.9
162.02190	1.0
177.04050	13.0
177.05499	0.6
183.15108	0.6
187.02538	3.5
187.10806	1.8
204.13884	0.5
205.03539	7.9
206.15445	1.2
217.09843	0.5
262.11649	1.2
269.18488	0.5
270.09821	7.6
288.10867	25.1
289.11157	0.6
305.13464	0.6
333.12997	4.2
351.14078	76.3
352.14362	1.6
450.20911	2.4
501.21921	0.7
519.23126	3.3
537.24164	30.8
538.24329	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64177	0.5
55.05508	1.2
56.05026	0.9
58.06602	0.6
60.08172	8.6
62.08008	0.5
67.05502	2.4
69.56903	0.5
70.06595	1.0
71.07387	4.2
71.50101	0.8
73.04759	0.8
79.05482	1.5
81.07059	2.2
84.08123	1.1
85.02882	0.7
86.09716	35.8
89.26234	0.6
90.19157	0.5
91.05414	0.7
91.31549	0.5
93.07043	2.3
95.08611	1.5
98.98471	3.4
104.10752	16.8
105.07044	1.2
107.08589	0.9
109.10188	1.1
117.07035	0.6
118.12223	0.6
121.10175	0.7
125.00020	22.4
133.10059	0.6
167.05588	1.3
170.66182	0.5
184.07361	100.0
185.07722	1.9
186.07809	0.8
220.51079	0.5
225.04231	0.5
235.13593	0.6
254.48775	0.6
299.06281	2.1
330.24658	0.7
344.97418	0.7
400.27716	0.6
408.91916	0.6
500.31137	1.8
518.32428	8.5
536.23370	0.9
553.94513	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79818	0.2
56.05038	0.7
58.06613	0.4
60.08170	6.8
63.27583	0.2
67.05516	0.8
69.07063	0.3
70.06599	0.6
71.07378	3.4
71.49845	0.3
73.04745	0.3
79.05507	0.5
81.07058	0.8
85.02950	0.2
86.09715	33.8
87.47668	0.2
93.07076	0.6
95.08588	0.5
98.98474	3.3
104.10754	4.1
105.07036	0.4
107.08605	0.2
109.10185	0.3
119.08585	0.6
125.00016	22.3
131.08609	0.2
151.36812	0.2
167.05637	0.3
179.26326	0.2
184.07356	100.0
213.90289	0.2
283.02939	0.2
299.06085	0.6
320.99847	0.2
356.15378	1.2
357.15030	0.3
485.43353	0.2
518.32385	1.4
536.26581	0.3
536.33655	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	536.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.8
58.06617	0.6
60.07885	0.7
60.08168	8.8
67.05518	2.5
70.06582	0.8
71.07384	3.8
71.50101	0.8
72.08141	0.8
73.04762	0.6
79.05481	0.8
81.07039	1.6
84.08150	1.3
85.02913	0.7
86.09713	34.2
87.10018	0.6
91.05444	0.7
93.07040	1.6
95.08595	1.4
97.06557	0.5
98.98475	3.4
104.10063	0.7
104.10752	15.1
105.07022	0.8
107.08583	0.8
109.10140	0.7
119.08565	1.3
121.10156	1.1
125.00015	21.5
145.10071	0.8
167.05576	0.5
175.17256	0.5
184.07356	100.0
185.07678	1.8
186.07851	0.9
221.09348	0.5
234.42746	0.4
299.06180	2.4
359.02731	0.5
500.31271	2.1
518.24847	0.6
518.32477	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	536.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57691	0.2
55.05516	0.5
56.05038	0.8
56.74661	0.2
57.03437	0.3
58.06613	0.5
59.05022	0.3
60.08168	8.3
61.02903	0.4
63.45325	0.2
67.05492	1.3
69.07079	0.5
70.06586	0.8
71.07380	4.0
71.49715	0.3
72.08170	0.5
73.04772	0.3
79.05505	0.5
81.07061	1.0
83.08607	0.3
84.08143	1.9
85.02890	0.3
85.08485	0.4
86.09711	34.0
91.05869	0.3
93.07033	0.7
95.08606	0.8
98.98480	3.5
104.10751	20.5
107.08585	0.3
109.10166	0.3
121.10117	0.4
125.00013	22.3
140.10846	0.2
163.78630	0.3
182.93436	0.2
184.07350	100.0
185.07657	0.4
195.11650	0.2
258.11050	0.4
269.87845	0.2
279.16516	0.3
299.06174	1.0
363.78525	0.3
411.59015	0.2
518.32416	2.2
536.33411	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	536.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12071	0.2
55.05490	0.3
56.05038	0.6
57.69356	0.2
58.06609	0.3
60.08165	6.1
67.05508	0.8
71.07381	3.2
81.07050	0.8
86.09709	31.0
93.07017	0.3
95.08620	0.4
98.20712	0.4
98.98467	3.2
104.10748	2.8
125.00010	22.2
184.07344	100.0
184.58435	0.2
185.07623	0.5
299.06046	0.3
407.51886	0.2
468.88632	0.3
500.31299	0.9
509.91055	0.3
518.32373	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	536.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.9
55.05519	10.0
56.05032	2.8
57.03459	2.0
58.99587	16.5
61.63777	1.5
67.05507	8.3
69.03415	3.6
69.07069	2.5
70.06599	29.6
71.06911	2.7
71.49654	2.0
72.08156	18.0
74.00660	3.3
74.06097	2.3
76.02235	100.0
76.04009	5.3
78.55729	1.4
79.05510	8.7
81.03423	26.8
81.07066	10.6
81.81364	1.2
82.48679	1.4
83.04980	9.0
83.06108	4.0
83.08622	7.6
84.04512	35.4
84.08153	12.9
84.84222	1.6
85.02898	3.0
85.04034	4.1
85.08485	2.1
86.09724	16.7
86.99074	2.3
87.04491	5.3
87.10064	1.7
88.02203	1.5
91.05476	13.0
93.07049	5.7
95.04971	9.2
95.06081	1.8
95.08615	3.7
97.01093	1.8
97.06533	1.9
97.10169	1.8
101.07146	3.9
102.05567	2.0
105.07042	7.2
107.04957	2.6
107.08605	2.3
110.07185	3.3
111.08102	4.9
112.03995	2.6
112.08715	3.1
113.03495	1.7
116.01692	27.9
119.08597	7.2
120.08131	7.6
121.10110	2.5
129.07010	2.6
129.10213	7.0
130.05013	18.6
131.04536	3.2
131.08615	3.7
133.10149	4.2
136.07593	5.1
142.03239	10.8
144.01146	14.1
145.06062	2.2
147.07890	1.8
147.11719	3.7
149.09641	1.7
157.10074	3.8
162.02223	48.0
170.02820	3.9
175.11171	4.9
177.03293	9.3
179.04871	93.8
181.48698	1.4
183.97913	1.4
185.03799	2.4
187.05321	2.7
193.12244	17.0
211.13293	35.2
215.04938	1.9
224.32916	1.4
233.05934	26.1
245.05956	4.1
245.11409	2.4
262.59293	1.6
268.13593	2.8
285.16241	1.4
286.14716	2.4
290.08029	2.3
291.06464	4.2
299.06326	2.8
308.09134	83.0
389.17386	2.2
524.61969	1.9
536.21130	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	535.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.1
55.01877	13.1
55.05512	32.9
57.03430	5.9
57.07069	9.3
58.79393	2.0
59.04996	3.9
65.03938	4.6
67.05509	92.4
69.03432	3.7
69.07069	28.8
69.51339	10.4
69.51745	4.5
71.04974	4.3
79.05503	64.2
81.03420	9.2
81.07062	100.0
83.04994	18.5
83.08617	14.3
83.67476	2.0
85.02927	4.1
85.06541	6.2
91.05483	50.3
93.07045	58.4
95.04984	11.6
95.08611	53.5
96.04494	4.0
97.06541	12.7
97.07551	1.9
97.10156	6.7
99.04460	4.1
99.08106	8.0
103.05484	2.8
105.04562	2.5
105.07045	28.8
107.04978	13.9
107.08602	28.1
109.06552	2.9
109.10154	24.8
111.04439	29.9
111.08099	7.7
113.09651	3.5
117.07023	13.0
119.08582	18.5
121.06517	4.5
121.10149	32.8
123.11702	10.4
125.06088	2.7
125.07068	3.2
125.09654	4.4
129.05490	2.4
129.07033	6.4
130.07793	2.3
131.08559	17.2
133.10143	17.6
135.08044	3.3
135.11688	25.7
137.09615	3.5
137.13301	3.1
139.11160	3.0
141.65118	2.2
143.08507	3.4
145.06485	3.2
145.10129	19.1
147.08076	2.4
147.11722	10.6
149.09615	8.9
149.13324	2.6
151.11203	2.8
153.12744	13.0
155.08528	4.0
157.10110	4.2
159.11688	4.0
161.09676	3.3
161.13251	6.1
163.11195	25.1
171.11659	5.1
173.09673	10.2
175.11201	2.4
181.12230	22.4
183.11644	2.7
187.14804	2.1
189.64337	2.3
191.10692	22.1
197.94701	2.2
209.11700	13.0
217.19518	6.4
227.12802	18.2
235.20662	4.8
245.13776	2.1
257.38580	2.3
265.14484	3.0
283.15445	24.8
299.06177	2.5
301.16452	5.2
309.24115	6.2
407.29211	3.9
425.30466	3.9
499.34015	5.9
517.35242	23.8
535.36273	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.8
55.05267	4.6
55.05513	54.1
55.20415	3.2
55.81019	3.1
57.03440	16.7
57.07060	3.2
59.04998	3.1
65.03924	4.3
67.05510	88.9
69.03423	6.3
69.06792	3.1
69.07076	36.8
71.04992	9.9
71.08617	3.1
71.51201	3.3
71.51575	3.3
74.10558	2.9
79.05494	78.3
81.03423	17.4
81.03804	2.9
81.06589	6.7
81.07058	100.0
83.04971	11.9
83.08606	30.8
85.06534	7.5
86.09711	3.2
91.05486	58.6
93.07051	83.8
95.04984	10.1
95.08611	67.8
97.06521	16.0
97.10170	20.6
97.96582	2.9
98.56293	3.1
99.08077	5.5
105.06384	5.4
105.07032	59.0
107.08602	45.6
109.06525	4.3
109.10159	37.5
111.08096	9.3
117.07005	20.2
119.08595	40.7
121.06531	3.1
121.10154	39.3
123.08044	6.3
123.11694	9.8
125.09624	11.8
129.06996	13.7
131.08580	40.7
133.10133	38.4
135.08061	7.2
135.11690	25.6
137.09595	5.8
139.11151	6.2
141.06934	10.8
143.08565	21.8
145.10098	34.2
147.08047	3.3
147.11705	30.7
149.09581	12.4
149.13261	9.4
151.11209	6.3
153.07024	3.1
155.08571	21.1
157.10152	24.0
159.11708	27.9
161.11885	3.9
161.13289	14.0
163.11195	8.9
165.06949	3.1
167.08554	8.4
167.10713	4.2
169.10150	17.9
171.11719	22.9
173.13249	13.8
175.11159	3.7
175.14839	7.4
177.12849	4.4
179.08505	4.1
181.10164	11.8
183.11722	22.9
184.07315	6.0
185.13324	16.3
187.11147	3.5
187.14891	7.9
189.11278	7.3
189.12801	4.6
193.10193	4.3
193.12140	6.6
195.11717	9.9
196.12491	3.4
197.13251	14.3
199.14853	9.2
205.12363	3.2
207.11726	6.1
209.13318	14.8
211.14877	4.2
213.16338	8.2
215.17953	10.3
223.14859	8.9
223.94487	3.2
225.16486	10.7
227.12686	6.8
227.17899	3.3
231.17418	7.5
233.18925	4.8
237.16400	7.2
239.18144	7.8
241.14316	6.2
241.19521	5.6
245.19199	3.4
259.15424	3.8
259.20676	10.0
261.18472	9.8
267.15787	15.0
269.17285	4.1
273.22067	7.8
275.20166	4.9
277.21640	4.7
278.04382	3.4
307.22556	10.8
327.23056	3.7
335.22922	5.4
379.30038	4.7
389.28116	6.3
407.29324	14.5
425.30429	14.4
443.31415	13.4
447.32553	3.9
461.32538	4.4
499.33981	30.3
517.34082	42.8
517.40698	25.4
535.35034	11.2
535.42438	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70348	3.1
53.03942	13.9
55.01867	10.0
55.05514	18.2
57.03426	6.2
57.07078	4.4
58.05160	3.8
61.02929	7.9
67.05506	40.5
68.99803	4.9
69.03436	55.1
69.07073	22.7
70.06599	8.5
70.44793	13.5
71.04991	9.6
72.08138	7.0
73.02918	8.9
74.67314	3.6
79.05499	36.7
81.03427	46.4
81.07063	94.7
83.04992	6.0
83.08612	6.3
84.08126	5.1
85.02444	5.6
85.02914	77.6
86.09704	4.5
87.00841	35.4
87.04473	5.0
89.06025	4.0
91.05485	34.9
93.07048	62.7
95.04961	9.4
95.08611	66.6
97.02888	52.1
97.06516	4.2
97.10213	4.4
99.04457	23.5
105.01875	18.6
105.07039	68.6
107.08595	76.3
109.02878	30.9
109.06496	6.8
109.10169	33.2
117.01856	4.4
117.06995	15.1
119.08593	62.2
121.06525	5.5
121.10160	50.8
123.04447	3.8
123.08089	5.5
123.11702	13.4
127.03926	51.3
129.01833	5.6
129.07016	9.6
130.07790	4.2
131.08598	31.4
133.10147	43.7
135.08066	6.6
135.11714	18.3
137.06064	4.9
142.07724	8.4
143.08569	22.3
145.04990	26.5
145.10144	50.5
147.08086	4.0
147.11702	41.9
149.13239	27.0
151.11211	4.1
155.08546	7.7
157.10149	43.4
159.02875	14.2
159.11716	56.8
161.13266	29.6
163.11235	4.5
163.14850	7.6
169.10130	5.1
171.11707	34.4
173.13275	27.3
175.14854	20.0
183.11635	7.9
185.13287	21.0
187.14813	21.7
189.16356	11.0
197.13225	5.2
199.14824	20.2
201.16341	24.6
205.15947	5.8
211.14734	5.9
213.16451	32.6
215.17902	8.9
217.15959	3.8
221.58604	3.6
225.16367	4.8
227.17949	12.9
229.19507	15.7
231.05020	12.8
239.18060	4.4
241.19400	5.2
255.21068	3.8
267.21057	5.0
269.22690	100.0
271.24341	5.3
287.23764	34.3
331.21686	3.6
451.36002	3.8
517.27899	9.6
535.29102	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	535.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	8.4
55.01860	9.9
55.05501	15.9
57.03431	7.7
57.07061	3.6
65.03944	4.2
67.05508	28.4
68.99783	4.2
69.03435	46.9
69.07066	25.1
69.40097	5.6
69.40504	23.3
70.06593	10.7
71.01317	4.3
71.04998	7.0
72.08126	3.8
73.02903	7.0
79.05504	23.5
81.03427	50.3
81.07060	69.8
83.08618	10.5
84.04472	4.1
84.08141	8.3
85.02914	55.8
86.09679	5.1
87.00843	35.9
88.10527	3.4
91.05486	34.2
93.07052	59.4
95.04997	4.1
95.08617	37.4
97.02904	68.9
97.10171	3.5
99.04448	15.6
102.63963	3.8
105.01855	14.3
105.07044	69.8
106.30862	3.7
107.07880	5.3
107.08598	70.5
109.02888	19.5
109.10160	32.8
117.07046	8.2
119.08589	55.9
119.56501	3.4
121.10148	32.9
123.11704	12.6
127.03931	50.7
128.06201	4.0
129.01877	4.3
129.07016	9.9
131.08563	25.8
133.10149	50.8
135.11700	17.1
142.07782	10.0
143.08606	25.8
145.05009	18.1
145.10129	52.4
147.11694	46.5
149.13264	17.1
151.11317	3.6
157.10121	36.4
159.02904	7.7
159.11710	57.7
161.13278	35.9
163.14845	5.3
169.10162	8.1
171.11655	26.6
173.13304	26.6
175.14830	18.4
183.11607	5.6
185.13222	21.3
187.14722	19.0
189.16347	8.5
197.13382	4.9
199.14836	27.2
201.16429	35.9
211.14851	4.6
213.16422	38.8
215.17854	6.0
227.17943	20.6
229.19501	17.5
231.05028	11.0
267.21008	5.5
269.22647	100.0
271.24115	5.5
287.23575	23.0
355.15213	5.3
426.60562	3.7
535.21893	5.6
535.29028	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.7
55.05516	23.3
57.03446	6.2
57.07076	10.9
58.81584	2.9
60.08164	12.9
61.02919	2.7
65.03962	4.5
67.05183	5.5
67.05515	78.7
69.03435	7.7
69.07078	28.7
71.04992	4.0
71.08635	4.8
71.50775	4.1
79.05498	33.6
81.03419	11.6
81.07067	100.0
83.04968	3.2
83.08632	19.9
85.02907	10.5
85.06558	4.2
86.09711	37.7
91.05476	21.7
93.07054	39.3
94.07402	3.0
95.04967	8.3
95.08006	3.8
95.08617	77.6
95.14404	3.0
97.02898	4.7
97.06519	5.3
97.10180	12.1
99.08126	3.4
104.10758	71.0
105.07033	20.8
107.08599	26.5
109.10155	31.0
111.04431	3.7
111.08080	4.2
117.07043	7.2
119.08614	19.0
121.10141	24.9
121.18619	3.3
123.00194	2.8
123.11727	18.3
125.00017	23.3
131.08582	8.5
133.10136	21.6
135.11725	12.0
137.13234	8.6
139.11214	4.2
145.05008	5.2
145.10097	6.5
147.11711	9.5
149.13245	10.5
159.11752	3.7
161.13280	14.8
163.14854	4.9
165.16409	5.6
175.14844	8.7
184.07365	82.1
187.14711	3.6
189.16385	5.0
200.36668	3.0
214.12694	3.6
245.22653	33.7
252.03476	2.9
262.25458	3.8
263.23718	48.8
291.23404	4.2
300.32407	3.3
305.24689	3.2
321.24286	4.4
329.24817	3.6
337.27319	21.3
343.26471	3.3
353.24704	6.8
371.25705	17.3
389.26950	10.8
407.28079	14.5
425.28906	9.5
516.33948	6.1
534.26385	4.6
534.35138	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	5.2
55.05529	31.1
56.92451	6.2
57.03442	6.5
57.07082	26.4
59.66529	5.7
60.08160	11.9
61.02921	5.6
67.05176	9.0
67.05509	95.8
69.07076	37.6
71.07378	8.2
71.08638	8.0
71.51125	5.9
79.05492	25.4
81.07059	100.0
83.08619	21.9
85.02937	7.9
85.06546	6.7
86.09708	51.0
88.15733	6.3
91.05482	20.0
93.07052	32.9
95.08611	74.9
97.10156	16.0
104.10751	87.9
105.07033	11.7
107.08607	21.0
109.10171	41.8
119.08570	7.0
121.10158	25.2
123.11710	24.9
124.99987	30.5
133.10207	14.8
135.11745	7.7
137.13263	11.6
147.11661	13.3
149.13281	12.9
151.14832	9.2
161.13225	16.3
162.00978	4.9
163.14876	15.4
165.16554	7.8
175.14787	9.0
178.56023	5.2
184.07355	84.8
245.22707	63.7
263.23685	80.5
337.27405	61.5
508.34219	7.0
534.35352	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	534.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.9
56.05031	1.4
57.03442	0.5
58.06596	1.1
60.08168	18.2
60.08477	0.9
60.85469	0.5
62.56535	0.4
67.05512	2.2
67.41275	0.5
69.80500	2.7
70.06602	0.5
71.07378	7.4
71.08630	1.6
72.08136	1.1
79.05482	1.6
81.07070	2.4
83.08609	0.5
85.02896	0.5
86.09712	52.7
91.05505	1.0
93.07064	2.3
95.08602	1.4
97.06554	0.4
98.21284	0.9
98.98473	4.6
104.10751	100.0
105.07021	0.8
107.08582	1.4
109.10165	0.9
110.80364	0.6
119.08552	0.9
121.10145	0.7
125.00014	29.3
133.10143	0.5
135.75960	0.5
163.01530	0.5
175.94891	0.5
184.07353	95.2
202.40277	0.6
258.11020	1.0
392.25656	0.5
458.55554	0.6
499.26688	0.6
516.30939	5.5
534.31897	27.6
535.32489	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64179	0.3
55.05513	0.8
56.05036	1.3
57.03429	0.4
57.07054	0.4
58.06583	2.0
59.05002	0.6
60.08171	16.1
61.50337	0.4
67.05508	2.2
69.07076	0.5
70.06602	0.8
71.07383	7.0
71.08624	1.3
71.50323	0.6
72.08167	1.0
79.05503	2.0
79.58908	0.3
81.07077	2.0
83.04996	0.4
83.08625	0.6
84.08151	0.5
86.09714	54.4
91.05488	0.9
93.07072	1.9
95.05003	0.4
95.08615	1.2
98.98478	4.7
99.08048	0.4
104.10754	100.0
105.07039	1.0
107.04965	0.5
107.08627	0.8
119.08601	0.9
121.10162	0.9
125.00019	27.8
131.08617	0.5
133.10103	0.8
135.11694	0.5
151.11140	0.4
152.31447	0.4
162.78027	0.4
179.14362	0.5
184.07359	93.4
185.07739	0.4
194.77661	0.3
197.04100	0.3
210.14977	0.4
222.90141	0.4
258.10980	0.6
307.96054	0.4
313.18756	0.3
347.69980	0.4
348.82510	0.4
516.30798	6.7
534.31940	30.5
535.32416	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.2
56.05039	0.7
58.06624	0.5
59.07375	0.2
60.01298	0.1
60.08170	7.8
67.05508	0.7
69.81866	0.8
70.06599	0.2
71.07378	3.6
72.08134	0.1
72.29686	0.1
73.02888	0.2
79.05495	0.4
81.07059	0.5
86.09712	32.5
90.04771	0.2
91.05480	0.2
93.07055	0.4
95.08614	0.3
98.98473	3.1
104.10751	6.5
105.07046	0.2
107.08604	0.3
118.78426	0.2
125.00014	22.5
143.01025	0.2
143.14827	0.2
184.07353	100.0
185.07750	0.4
213.14076	0.1
258.11014	0.3
286.99100	0.2
463.12039	0.2
516.30762	1.4
534.31964	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	534.319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77689	0.2
51.39647	0.2
51.94305	0.2
55.05522	0.5
56.05040	0.6
57.03429	0.2
58.06608	0.4
59.07427	0.3
60.07003	0.2
60.08167	6.4
60.08661	0.2
61.02948	0.2
61.55602	0.2
64.03478	0.2
67.05500	0.7
69.07071	0.4
70.06597	0.3
70.90549	0.2
71.07380	2.9
72.08151	0.3
79.05492	0.9
81.07063	0.8
84.08150	0.3
85.02919	0.4
86.09711	31.1
91.05502	0.8
93.07037	0.7
95.08601	0.7
98.98471	3.4
101.02402	0.3
101.35587	0.2
104.10755	3.9
105.07047	0.7
107.08601	0.3
109.10169	0.5
119.08619	0.3
121.10155	0.6
123.11720	0.2
125.00014	21.1
131.08563	0.2
132.08929	0.2
133.10123	0.5
143.90482	0.2
145.10136	0.3
157.10126	0.3
159.11710	0.3
182.33871	0.2
184.07353	100.0
185.07713	0.3
304.94858	0.3
370.00073	0.2
460.53766	0.3
516.30835	0.9
534.23572	0.3
534.31549	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.5
55.05516	7.2
56.05048	3.1
57.05820	1.2
59.83229	0.5
60.04226	0.8
60.04528	12.4
67.37627	0.5
69.07079	2.7
70.06598	8.3
70.27330	0.5
70.28420	1.8
72.08160	100.0
74.06096	4.6
79.05485	0.6
80.33437	0.5
84.04533	3.0
84.08157	2.7
86.09709	50.6
88.07648	0.9
95.06047	0.5
97.26443	0.5
98.06064	6.3
98.09711	0.9
98.21516	0.6
99.81886	0.6
100.11726	0.5
101.07150	1.7
102.05500	0.7
110.09707	0.8
112.03979	2.4
112.08745	1.0
113.07159	0.6
115.08710	1.1
116.07102	16.0
120.08150	0.8
125.07172	0.5
128.10670	1.1
129.10257	1.4
130.05110	0.7
138.09172	0.8
143.08156	5.2
155.11871	0.9
161.09213	5.2
171.07661	18.1
173.12843	6.3
173.14008	0.6
175.63521	0.6
185.16524	6.6
188.41304	0.6
189.08705	7.8
201.12329	5.2
213.15987	6.8
215.13890	0.6
225.12437	1.6
229.11865	0.9
242.15025	1.7
243.13445	0.8
244.12837	0.6
247.12898	13.6
270.14508	32.9
287.05701	0.7
288.15561	19.3
289.15601	0.6
316.14978	3.8
346.19830	2.1
352.08261	1.1
373.24585	2.6
383.22861	0.8
401.23962	3.8
534.24457	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.3
55.01875	9.6
55.05273	2.4
55.05516	33.7
57.03443	12.9
57.07100	4.2
59.05009	4.0
63.43932	2.0
65.03938	4.6
67.05510	93.2
68.99796	2.0
69.03434	4.6
69.07072	29.8
70.62875	3.1
70.63210	3.7
71.04991	8.9
79.05499	70.1
79.05979	3.4
81.03413	5.1
81.06589	3.9
81.07062	75.3
83.04980	10.5
83.08624	16.2
85.02917	3.1
85.06533	3.4
86.09718	2.6
91.05488	71.5
92.28724	1.7
93.07050	64.9
93.07642	3.5
95.04972	15.5
95.08612	46.0
96.95313	1.9
97.06535	10.6
97.10180	6.9
99.08081	4.3
103.05486	2.7
105.07037	60.4
107.04961	8.9
107.08604	45.0
109.06541	14.1
109.10168	39.4
111.04449	4.1
111.08088	8.2
115.05426	3.7
117.07016	22.6
119.05008	2.4
119.08590	43.7
119.92895	2.0
121.06532	8.3
121.10171	23.8
123.08051	9.8
123.11726	7.2
125.06017	2.2
125.09695	5.3
128.06241	3.5
129.07001	17.8
131.08569	38.5
133.06551	6.3
133.10141	44.9
135.08034	11.7
135.11708	24.8
137.06033	2.1
137.09636	7.6
141.07030	6.1
143.08566	18.6
145.06511	6.5
145.10143	30.4
147.08075	7.9
147.11691	26.0
149.09618	11.2
149.13266	6.2
151.11169	9.5
153.09120	4.0
155.08562	8.2
157.10155	20.9
159.08049	4.6
159.11705	19.1
161.09625	10.4
161.13318	9.1
163.07669	1.9
163.11195	8.6
167.08629	4.1
169.10124	10.8
171.08032	3.2
171.11725	18.0
173.09630	6.9
173.11792	5.2
173.13275	11.4
175.11166	12.8
175.14691	2.4
177.09172	1.9
177.12769	5.7
177.54016	2.1
179.10684	6.5
181.10162	5.6
181.12134	2.2
183.11714	6.9
184.21342	2.1
185.09505	4.0
185.13353	8.0
187.11235	7.9
187.14827	6.1
189.11247	3.6
189.12813	8.1
193.12241	3.3
195.11716	4.8
197.13303	7.0
199.11266	2.8
199.14816	4.8
201.12762	3.8
203.14308	3.2
205.12328	2.0
209.11760	19.3
209.13283	2.8
211.11351	2.5
211.14951	5.2
213.12817	2.4
213.16502	3.4
215.18019	8.7
223.14850	3.4
225.16501	5.3
227.12718	5.5
227.17993	7.9
229.14111	12.4
229.16290	3.8
231.17503	5.0
233.13161	2.2
233.19061	4.6
240.83481	2.0
243.17564	5.3
245.19060	15.3
253.14275	3.1
255.17720	4.1
261.18549	5.1
269.19040	10.9
271.17148	3.2
273.18628	5.3
283.15405	4.4
283.20483	2.1
285.18649	3.0
287.20093	21.2
289.18069	8.1
289.21301	3.5
301.21716	2.9
305.21234	3.3
343.22794	2.2
345.20575	9.9
361.23813	7.0
363.21835	3.3
377.28574	3.4
387.27005	4.4
395.29507	2.1
405.27728	9.6
417.26620	2.4
423.28983	14.0
441.30133	12.3
459.31134	10.4
487.34155	4.3
497.32706	19.3
515.33759	100.0
533.34827	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.0
55.01871	13.9
55.05520	52.5
57.03435	10.5
57.07074	4.5
65.03942	4.6
67.05512	100.0
69.03441	6.8
69.07079	32.4
71.04995	9.1
71.51187	4.1
79.05498	90.9
81.03430	12.2
81.06591	5.4
81.07064	87.3
82.07389	2.5
83.04991	14.4
83.05421	2.6
83.08633	22.2
85.02916	7.3
85.06555	6.3
91.05490	68.8
91.95276	2.5
93.06483	5.8
93.07053	92.1
95.04977	17.1
95.08055	5.3
95.08617	47.5
97.02888	4.7
97.06535	14.1
97.10194	16.3
99.08115	4.1
105.07044	58.7
107.04957	8.6
107.08604	43.1
109.06526	8.4
109.10152	30.0
111.04455	12.4
111.08090	12.5
115.05500	4.8
117.07034	34.6
119.08598	44.2
121.06546	8.4
121.10172	43.6
123.08086	9.5
123.11757	7.5
125.09627	19.7
129.07010	12.5
131.08603	34.8
133.06519	3.9
133.10158	34.0
135.08058	6.7
135.11702	32.4
137.09628	6.9
139.11197	7.2
141.07037	5.9
142.07826	3.3
143.08585	13.1
145.10147	34.6
147.08076	5.4
147.11674	21.4
149.09622	15.0
149.13307	5.1
153.12807	5.2
155.08603	9.2
157.10173	11.2
159.08034	3.5
159.11694	28.3
161.09641	7.9
161.13315	7.2
163.11163	17.2
169.10164	6.7
171.11714	13.0
173.09676	4.1
173.11893	3.3
173.13260	13.9
175.11234	10.0
177.12698	5.4
181.10114	4.6
181.12268	9.7
183.11707	7.1
184.07361	6.7
185.13217	8.3
187.11241	3.8
187.14876	8.0
188.37242	2.7
189.11287	3.7
189.12808	5.1
191.10672	2.9
197.13380	6.0
199.13274	4.6
209.11690	15.7
209.13467	3.5
213.16310	4.2
215.17993	7.7
217.14485	3.8
223.14952	3.4
227.12814	12.1
231.14047	3.2
233.18964	6.0
245.14001	4.7
245.19113	4.4
249.18515	5.5
257.18857	3.6
271.20654	4.8
273.18494	3.5
275.20081	3.6
281.19064	4.3
283.15454	9.3
287.20157	7.0
299.20111	3.2
307.22595	4.9
405.27969	8.2
423.28726	14.1
441.29932	11.9
459.31555	4.9
497.32492	13.4
515.33618	60.1
533.34729	96.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.5
55.01870	7.9
55.05515	20.6
57.03446	10.5
57.07093	3.1
59.05009	2.6
64.22556	2.1
67.05512	60.0
69.03413	2.3
69.07075	13.7
71.03823	4.9
71.04996	5.5
78.48717	2.0
79.05501	67.2
81.03452	3.1
81.07061	62.4
83.04984	5.8
83.08636	13.1
83.09054	2.6
85.02914	2.4
91.05487	37.6
93.07053	80.8
95.04975	9.2
95.08617	63.7
97.02917	4.9
97.06532	8.0
97.10141	3.9
99.04440	4.2
99.08064	4.6
105.07046	22.2
107.04961	9.6
107.08605	46.6
109.06555	4.8
109.10167	18.4
111.08107	3.7
115.92831	2.2
117.07023	17.4
119.08589	21.8
121.06537	5.5
121.10158	32.4
123.11723	7.4
129.05415	2.5
129.06999	3.2
130.07780	2.6
131.08578	16.4
133.10146	13.0
135.08072	3.5
135.11702	64.9
137.13193	2.4
143.08649	2.4
145.10138	40.7
147.11679	9.3
149.09615	2.3
149.13266	12.7
159.11703	11.7
161.09660	2.5
161.13301	3.3
163.11182	53.4
173.13251	7.1
181.12213	11.8
189.16232	2.9
205.19508	6.8
209.11725	2.3
215.18001	27.5
227.12810	100.0
233.19025	35.7
283.15402	39.7
289.21667	6.3
307.22711	70.8
307.25281	1.6
423.98669	2.5
441.30286	2.5
515.33765	35.5
533.34760	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	533.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50817	1.8
53.03942	9.2
53.82248	1.7
55.01880	14.0
55.05514	25.3
57.03436	7.2
57.07077	4.2
57.63242	1.7
65.03941	6.9
66.16483	2.1
67.05511	76.3
69.03437	2.9
69.07071	13.6
70.01619	8.2
71.05004	5.1
79.05502	100.0
81.03415	8.0
81.07061	62.8
83.04989	26.6
83.08626	11.4
85.02901	2.5
85.06541	5.7
89.89175	1.9
91.04922	2.3
91.05489	54.5
93.07051	89.2
93.07645	4.4
95.04982	12.9
95.08614	36.0
97.06551	9.9
97.10158	3.2
99.04480	4.7
99.08090	5.1
103.05483	3.0
105.04520	4.1
105.07040	26.7
107.04955	14.1
107.08603	36.3
109.06542	5.0
109.10174	23.6
111.04468	33.4
111.08103	9.4
117.07039	18.3
119.08587	25.0
121.06490	4.4
121.10150	48.0
123.08141	2.4
123.11748	5.4
125.06014	5.0
125.09649	5.1
129.07021	5.1
131.08572	17.8
133.10135	17.4
135.08104	3.3
135.11703	35.3
137.09625	2.7
139.11160	2.2
143.08572	3.1
145.06506	6.3
145.10162	30.1
147.08072	2.4
147.11658	11.4
149.09645	6.2
149.13255	3.9
151.11188	2.8
153.12778	19.9
155.08557	4.7
157.10072	3.6
159.11649	9.3
161.13300	3.3
163.11209	31.8
169.10107	2.8
171.11685	2.4
173.09641	14.4
173.13324	6.5
174.73763	1.8
181.12239	34.2
185.13161	2.8
191.10701	23.3
199.14821	2.3
209.11751	12.3
215.17958	13.4
223.14828	2.2
227.12772	22.4
230.74791	2.0
233.19037	12.8
242.04762	1.8
265.14371	6.7
283.15421	31.1
301.16501	4.2
307.22717	5.8
328.66357	2.0
395.29425	3.9
413.30560	2.6
423.28833	3.2
441.29950	3.8
487.34113	3.5
515.33929	14.7
533.34796	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	3.0
53.03947	9.1
55.01874	14.0
55.05518	26.8
55.53224	1.4
57.03435	5.5
57.03683	1.2
57.07072	3.5
57.53901	1.5
59.04998	1.3
65.03936	5.3
67.05509	85.3
69.03420	2.6
69.07073	14.7
69.83630	7.2
71.04990	7.2
77.03961	1.3
79.05498	96.7
81.03415	7.5
81.07061	64.9
83.04980	29.7
83.08620	10.5
85.02901	2.6
85.06542	5.9
91.04909	1.9
91.05484	54.1
93.07047	100.0
95.04979	16.3
95.08003	1.2
95.08612	37.1
97.06539	11.3
97.10153	3.4
99.04474	4.3
99.08103	4.3
103.05482	3.4
105.04523	3.7
105.07036	30.8
107.04963	18.1
107.08599	33.5
109.06518	3.5
109.10149	21.6
111.04447	37.8
111.08091	13.1
113.09679	1.9
117.07027	18.9
119.08590	26.0
121.06496	3.4
121.10149	58.4
123.08063	2.7
123.11736	5.1
125.06001	2.4
125.09643	3.8
125.39350	1.4
129.06982	6.6
130.07819	2.6
131.08582	19.2
133.10138	16.7
135.08070	2.3
135.11699	37.7
135.12723	2.1
137.09634	2.6
139.11247	1.7
139.18317	1.2
143.08539	6.2
145.06575	2.6
145.10130	33.3
147.08075	2.3
147.11681	13.3
149.09624	7.0
149.13278	7.4
151.11241	2.3
153.12732	17.4
155.08565	4.7
157.10181	3.1
159.11681	9.3
161.13347	3.3
163.11185	38.6
163.12560	2.1
165.12848	1.6
171.11678	2.7
173.09647	14.5
173.13306	4.0
181.12241	27.3
181.13736	2.4
183.11693	1.4
185.13412	2.2
186.38977	1.4
187.11440	1.3
187.14839	2.7
191.10667	22.7
205.19530	1.5
209.11752	11.7
213.16338	1.7
215.17955	11.6
217.19612	1.9
225.55135	1.2
227.12799	20.2
231.17482	2.9
233.19000	13.1
261.18399	1.5
265.14404	6.4
276.34955	1.2
283.15402	28.1
289.21655	3.1
301.16440	6.2
307.22751	5.5
371.07794	1.3
405.28278	1.4
423.29056	3.8
441.30099	3.3
446.53482	1.4
487.34421	5.0
497.32648	3.1
501.55386	1.5
515.33740	12.2
532.84698	2.0
533.34833	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.1
55.05513	18.4
57.03424	0.7
57.07073	1.3
65.03940	2.1
67.05508	40.1
69.03417	1.8
69.07068	6.3
69.93163	0.7
71.04999	1.0
73.02922	0.6
77.26906	0.7
78.40881	0.5
79.05489	11.2
81.03426	0.8
81.07059	46.6
82.07372	0.6
83.04975	1.8
83.08152	1.1
83.08620	16.5
85.06526	1.5
91.05481	18.7
93.07048	13.5
95.04958	1.4
95.08611	43.1
96.08927	1.2
97.06510	2.4
97.10184	4.5
98.21668	1.2
99.08081	1.8
102.89502	0.7
105.07044	4.8
107.04953	1.0
107.08594	11.2
109.10157	23.8
111.08068	2.8
113.60017	0.6
117.07021	1.9
119.04942	26.6
119.08578	4.9
121.10151	11.3
123.08104	1.3
123.11703	11.0
125.09665	1.2
131.08534	3.3
133.10132	10.8
135.11725	10.1
137.09607	4.3
137.13268	4.8
145.06494	0.7
145.10115	4.2
147.04414	100.0
147.11685	2.7
149.09631	0.9
149.13300	5.0
151.11198	7.7
153.09122	1.5
155.10658	2.4
159.04390	2.0
159.08055	0.8
159.11708	2.3
163.14734	0.8
165.05482	17.2
167.10692	0.8
169.12233	2.5
171.08075	0.9
173.05995	1.0
173.13272	2.4
177.05533	3.2
177.12755	0.9
181.12228	1.2
187.14903	1.5
189.16434	0.7
191.17926	2.1
195.13806	3.3
201.12764	1.3
215.17958	16.0
229.12234	13.5
229.42439	0.8
233.18971	13.6
247.13268	3.1
249.18530	0.8
251.20079	40.7
252.20581	0.8
269.21152	2.1
333.28052	3.3
532.40698	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	532.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.8
55.05514	61.2
59.05012	1.0
65.03931	2.5
67.05506	38.0
69.03419	1.7
69.07069	7.7
69.52892	6.8
71.21368	1.0
79.05497	11.7
81.03410	3.0
81.07058	48.4
83.04977	1.9
83.08621	72.7
83.82227	1.0
85.06551	1.8
86.40733	0.9
91.04906	1.3
91.05483	20.1
93.07045	14.8
95.04951	1.7
95.08609	46.8
97.06509	3.0
97.10194	5.0
99.04390	1.2
105.00130	1.0
105.07026	5.0
107.08591	11.3
109.09476	1.8
109.10160	25.5
111.08067	3.9
111.11727	1.6
115.07618	1.0
117.06975	2.2
119.04951	28.6
119.08588	5.9
121.10144	14.0
123.08033	1.3
123.11702	12.3
131.08598	4.7
133.10129	11.9
135.11700	12.7
137.09589	4.6
137.13243	3.6
145.10114	3.4
147.04416	100.0
147.11697	3.1
148.04749	1.4
149.13251	6.1
151.11142	4.6
155.10727	1.5
159.11682	3.2
161.13268	2.1
163.11099	2.1
163.14810	2.0
165.05481	10.5
169.12212	3.4
173.05914	1.0
173.13293	2.3
177.12712	1.4
181.12234	2.1
187.14864	1.2
195.13893	2.0
209.15500	1.2
214.51903	1.1
215.17955	14.0
229.12177	1.7
233.18987	14.2
237.18457	1.7
251.20071	45.9
269.21082	4.1
293.24850	1.1
322.38269	1.0
333.27927	11.5
351.29007	2.3
390.51843	1.0
503.21640	1.0
532.39624	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	532.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.6
55.01874	17.3
55.05510	15.4
56.94932	4.3
57.03442	15.0
59.04995	10.2
67.05513	25.0
69.03436	9.1
69.07075	7.4
70.06603	20.0
71.09129	7.1
71.09496	8.5
72.08168	20.1
73.16422	4.9
79.05497	50.0
81.03443	12.5
81.07076	25.4
82.93308	3.8
83.05011	4.8
83.08597	7.4
84.08144	12.6
85.02918	12.1
86.09705	11.3
89.06015	5.6
91.05479	61.6
93.07043	57.4
95.05042	8.8
95.08607	13.8
95.42985	3.9
97.02867	9.3
97.06546	7.6
97.10191	5.0
97.74168	4.4
99.00828	11.1
105.07006	14.3
107.04950	51.6
107.08617	45.9
109.02876	7.9
109.06525	4.3
109.10155	5.2
110.41850	4.4
111.04449	4.8
111.08105	7.2
115.05495	7.2
117.07023	41.0
119.04948	6.1
119.08594	19.1
120.08124	4.3
121.06536	20.9
121.10152	5.5
125.09649	26.0
127.03954	4.7
129.10333	4.2
131.08586	6.5
133.08540	6.6
133.10146	30.5
135.08057	86.1
137.09679	4.2
143.08568	6.3
145.06429	22.3
147.04414	5.2
153.09113	32.5
159.42824	4.2
161.09589	13.7
163.07541	47.0
171.07935	4.8
179.10712	5.0
181.08652	14.4
184.07381	13.0
189.09181	7.1
199.09756	4.9
200.52917	4.2
225.11302	8.8
236.53398	4.9
237.11252	90.9
255.12288	100.0
273.13367	62.6
281.13879	15.0
299.14944	54.6
392.81461	4.6
404.49222	4.0
426.21384	11.9
471.03345	4.1
479.22888	32.1
497.23444	28.3
514.31329	11.3
532.36047	27.7
533.25677	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	531.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.9
51.02377	1.0
53.03950	3.6
54.86978	0.7
55.01872	3.5
55.05513	23.1
57.03442	4.4
57.07079	7.1
62.10279	0.6
65.03941	5.0
67.05509	94.3
69.03410	0.8
69.07074	24.6
69.85046	1.4
69.85456	2.5
71.04994	4.1
71.08628	3.9
73.02911	1.4
77.03925	1.2
79.05498	41.4
81.03441	2.1
81.07063	100.0
82.07386	0.7
83.04991	7.3
83.08623	14.2
85.06545	4.5
85.10188	1.5
87.04480	2.5
91.04906	1.4
91.05486	32.2
93.07051	52.3
95.04982	4.4
95.08614	52.5
97.06539	9.1
97.10183	4.1
99.08115	2.8
105.00089	3.2
105.04533	1.9
105.07041	16.2
107.04969	0.9
107.08601	25.4
109.06525	1.8
109.10167	16.5
111.08101	4.0
111.11713	1.7
111.25276	0.9
111.37630	0.7
113.09679	1.2
115.05461	1.3
116.69684	0.7
117.07026	8.1
119.08590	13.7
119.09374	1.2
121.06551	1.8
121.10149	17.2
123.08082	1.6
123.11723	10.8
124.99847	0.7
125.09624	1.2
129.07039	1.3
131.08572	10.7
133.10132	13.3
133.11111	1.0
135.08131	1.0
135.11705	9.8
137.09644	0.8
137.13297	3.1
139.11206	1.0
143.08574	1.5
145.10144	4.1
147.11691	4.4
149.09550	1.0
149.13271	20.9
151.11217	1.0
151.14830	1.4
153.12764	0.8
155.08582	1.1
157.10185	1.7
159.11699	8.9
161.13240	4.9
163.14816	2.5
167.14371	1.1
169.10158	0.7
171.11734	1.5
173.13290	1.5
175.14879	3.3
177.12790	3.9
177.16353	1.6
185.13324	0.9
187.14848	1.3
189.16382	1.1
195.13799	8.4
199.14856	1.0
201.16414	1.0
245.22725	2.2
251.16664	0.8
258.17804	1.0
263.23676	6.5
269.17776	0.7
301.25528	0.8
317.42346	0.7
341.89987	0.8
439.35709	2.1
455.80255	0.8
457.36435	1.4
475.37518	2.2
496.40833	1.0
513.39447	2.4
521.67059	0.8
531.40448	82.8
532.41058	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	531.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	10.3
55.01877	5.8
55.05513	31.3
57.03433	9.5
57.07064	9.5
63.51069	2.3
65.03933	3.7
67.05511	80.8
69.03416	3.1
69.07072	20.1
71.05006	3.5
71.51122	3.6
79.05501	86.1
81.03415	11.5
81.07061	78.7
83.04977	10.6
83.08627	16.8
83.40699	2.6
85.06552	4.9
85.81470	2.4
87.04477	16.0
88.04800	2.6
91.04913	2.9
91.05486	61.3
93.07051	100.0
95.04963	18.9
95.08616	54.6
97.06519	4.5
97.10197	3.4
99.08124	4.3
105.00087	3.2
105.04519	4.3
105.06391	4.6
105.07039	48.8
107.04955	8.0
107.08604	32.9
109.06517	3.3
109.10168	18.0
111.08057	5.2
111.95003	2.5
115.05432	3.4
117.07011	15.4
119.08592	28.0
121.06484	4.9
121.10159	36.2
121.49703	2.5
123.08064	5.5
123.11677	7.9
125.09605	4.2
128.06245	5.4
129.07013	15.8
131.08595	15.5
133.10130	23.5
135.11714	22.2
141.06923	2.6
143.08563	14.1
145.10143	20.2
147.04445	4.0
147.11694	27.2
149.13287	11.8
151.11140	3.0
155.08572	3.9
157.10118	4.7
159.11678	12.3
161.13274	11.1
163.11185	4.9
171.11697	19.1
173.13222	5.4
183.11760	3.5
185.13210	2.8
187.14891	5.4
189.12727	7.8
199.14919	3.0
205.19675	3.5
207.13811	17.3
215.17952	11.6
217.19505	2.8
233.19022	13.2
249.18494	8.4
253.14470	4.8
279.15894	4.6
279.31873	2.7
281.14597	4.0
281.17450	31.2
286.91086	2.4
289.21494	3.3
303.08380	2.6
307.22647	18.2
421.30811	5.4
473.34378	14.5
487.34766	3.1
513.35870	56.9
531.35760	73.9
532.35400	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	530.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.4
55.05518	3.4
56.05032	0.8
57.05824	0.6
58.27321	0.4
58.27604	0.4
60.04518	0.7
63.01834	0.4
67.05436	0.4
69.03418	0.4
69.07080	3.3
70.06595	8.0
70.71558	1.0
72.08157	41.5
74.02509	0.4
74.06091	0.6
84.04501	1.4
84.08153	3.6
85.02943	0.3
85.08501	0.4
86.09708	100.0
87.10034	0.8
91.05471	0.5
92.72247	0.4
95.06098	0.9
97.02899	0.4
102.05556	0.4
105.07024	0.4
110.07201	0.6
112.08770	0.6
115.08748	0.3
116.07108	1.2
120.08110	1.3
127.08776	0.3
129.10255	2.2
129.11081	0.4
131.10420	0.3
133.10146	0.4
134.04474	0.8
136.07600	0.9
136.41922	0.3
143.11780	0.5
147.04445	0.6
155.08237	0.4
157.09865	0.4
157.13371	16.8
171.11334	0.6
174.05882	0.3
184.07442	0.4
185.11163	0.8
185.12880	19.6
185.16493	34.1
213.15990	27.5
214.16464	0.6
239.17694	0.4
245.04517	2.0
247.12883	5.7
270.18231	0.4
284.19693	31.2
298.21420	1.2
300.15714	0.6
318.16565	5.2
319.16849	0.4
356.14926	0.9
360.11273	0.4
369.28690	3.7
375.17828	0.3
375.24106	0.4
397.28119	3.0
431.25214	0.6
530.19598	0.6
530.32617	1.7
534.46783	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3322
Annotation	Acinospesigenin B
Peak:m/z	Relative Intensity
51.02359	1.6
53.00301	2.9
53.03944	10.5
55.01884	6.5
55.05514	45.1
57.07067	3.1
59.04982	2.8
65.03943	4.2
67.05508	54.4
69.03413	5.1
69.07069	19.0
71.04982	4.5
72.04452	1.5
77.03910	1.6
79.05496	77.1
81.03441	6.5
81.07064	57.6
83.04971	5.7
83.08160	1.7
83.08625	24.2
85.06532	2.7
91.04915	2.7
91.05486	56.2
93.07049	69.1
94.99519	1.3
95.04976	9.7
95.08615	34.3
97.02896	4.4
97.06528	4.3
97.10177	21.6
99.00822	13.3
99.08091	4.0
103.05512	2.3
105.04518	2.6
105.07038	45.2
107.04966	7.6
107.08593	29.3
109.02888	13.0
109.06519	6.0
109.10166	17.9
111.04411	3.2
111.08096	4.9
115.03868	1.5
117.07017	19.0
119.04971	2.2
119.08579	27.5
121.06506	9.2
121.09341	2.1
121.10148	31.4
123.04453	2.0
123.08066	2.9
123.11719	6.2
125.09630	16.7
128.06226	4.7
129.07036	9.9
130.07803	1.7
131.08571	25.0
133.06508	3.1
133.09131	2.7
133.10136	54.1
135.08052	5.9
135.11696	18.3
137.09657	2.5
139.07550	1.5
139.11124	1.4
141.02728	1.5
141.07016	4.1
143.08553	15.3
145.06487	3.1
145.10139	19.3
147.08069	2.7
147.11678	12.3
148.60011	1.5
149.09622	2.9
149.13231	4.2
151.11217	9.8
153.09108	2.5
153.12808	1.7
155.08559	5.7
156.09366	1.5
157.10147	9.9
159.08069	3.3
159.11684	14.8
161.09621	20.4
161.13278	5.6
163.11194	3.6
165.09122	1.6
167.08533	2.5
169.10158	5.7
171.08076	7.8
171.10263	2.6
171.11665	12.3
173.09634	4.5
173.13237	7.6
175.11198	2.8
175.14856	1.5
179.10683	9.9
181.10114	3.1
183.11708	6.4
185.09695	2.0
185.13269	6.1
187.11189	2.5
187.14838	5.0
187.16354	1.6
189.09204	9.7
189.10983	6.7
189.12737	2.5
193.10156	2.1
195.11725	3.2
197.09906	1.7
197.11700	3.8
197.13345	3.8
199.14792	2.8
201.12775	2.0
205.19580	1.3
207.10114	3.2
209.13322	2.3
211.14796	3.4
213.16351	5.6
215.17934	13.0
221.13228	2.0
223.14870	2.3
225.11160	12.6
225.16406	2.8
227.12689	7.3
227.17923	2.0
231.17415	4.3
233.19072	9.2
237.12543	1.5
237.16367	2.0
241.19391	3.2
243.12343	1.8
243.17549	2.5
249.18546	5.7
251.17969	3.5
253.16017	1.9
257.19101	2.6
259.20642	5.2
267.17548	3.7
281.13828	7.8
283.20471	1.5
285.18488	4.8
287.20105	7.1
295.01791	1.4
299.14859	7.0
299.19968	1.5
303.19760	2.0
305.21411	3.1
322.60916	1.8
327.19424	1.9
375.26776	2.3
393.27899	8.5
395.29398	2.2
403.26324	4.1
411.28986	7.9
421.27420	14.5
429.30011	3.8
439.28421	27.5
439.34296	1.2
447.31244	2.0
457.29535	17.1
467.31424	4.0
475.30518	1.7
485.32593	18.1
487.34128	5.2
495.31342	4.9
503.33701	18.6
513.32043	48.5
531.33148	100.0
532.33649	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	530.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.4
59.05011	2.6
59.06109	4.4
59.89423	2.1
60.05653	80.7
60.08165	58.3
67.05498	8.4
69.03425	8.7
71.11309	3.1
79.05489	5.9
81.07056	7.7
83.05019	3.1
91.05474	6.8
91.52930	2.2
93.07047	10.1
95.08604	8.9
97.06549	3.6
105.07034	10.5
107.04301	2.5
107.08584	10.8
109.06512	6.4
109.10159	11.6
111.04410	2.7
111.08068	4.9
117.06958	2.6
119.08579	6.3
121.06510	8.9
121.10159	10.5
123.08035	4.4
123.11709	2.6
125.05965	4.7
125.09625	5.4
128.06255	3.4
131.08594	8.9
133.06445	2.8
133.10138	3.4
135.08041	4.0
137.09622	13.0
137.91904	2.8
139.11244	2.9
141.06969	2.8
142.07755	3.7
143.08545	6.8
145.10126	5.2
147.11653	3.1
149.09619	5.5
155.08571	4.5
155.10651	3.0
157.10181	5.7
159.08038	5.1
159.11655	2.9
161.09645	6.5
169.10123	4.6
171.08089	22.0
171.11748	7.6
173.09592	2.8
175.11261	4.8
177.12752	5.2
179.08542	8.3
181.10147	8.1
185.13246	2.7
193.10121	9.6
194.10997	5.8
195.08073	3.3
195.11739	8.0
196.08705	2.5
196.12619	2.5
197.09660	12.1
199.11226	4.1
204.09401	2.9
207.11699	6.2
208.08907	8.2
209.09634	6.6
211.11229	5.8
213.12805	3.6
215.08612	2.9
217.10123	3.0
219.11670	4.5
220.12486	4.0
221.09584	8.7
221.13245	4.1
222.10439	6.0
223.11206	9.7
223.14928	2.4
230.10930	4.8
231.11617	4.9
233.09566	3.6
234.10400	6.3
235.11200	16.1
235.14828	10.0
237.12788	10.0
239.14490	2.7
245.09500	3.0
245.13258	11.3
246.10297	3.5
247.11168	7.0
248.11940	11.9
249.12709	7.5
251.14133	3.3
261.12820	10.0
263.14343	100.0
265.15912	5.0
271.14670	3.8
274.13531	5.6
275.14163	3.4
281.15414	10.7
287.14200	2.6
289.15903	37.5
291.17551	5.6
299.16449	2.9
301.15677	3.0
303.17542	4.4
307.16891	5.9
325.17972	3.1
334.93982	2.2
353.10754	2.5
371.23853	2.8
399.23279	20.8
417.24442	13.2
435.25244	10.1
453.26205	7.9
555.69043	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	530.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	8.2
56.05024	3.9
56.83770	1.1
57.05808	1.3
57.66312	1.0
69.07061	7.6
70.06599	18.1
71.49493	1.3
72.08161	100.0
74.02444	2.4
83.06110	43.5
83.76445	1.0
84.04510	50.0
84.08156	7.9
84.54549	1.0
84.60498	1.1
86.09716	37.0
86.10247	1.8
87.05591	7.1
88.03996	2.5
96.04485	1.8
101.07145	12.7
102.05489	1.7
104.82200	1.0
110.07121	1.3
112.11263	1.4
113.07143	2.3
124.11234	1.8
127.08693	1.2
128.08195	2.0
129.06610	45.0
129.10251	43.2
133.06104	33.9
134.62114	0.9
141.06609	2.3
147.04469	1.2
152.10725	8.1
157.09746	4.4
157.13483	1.3
169.13390	11.2
171.11284	1.6
181.09755	1.8
196.14478	49.6
197.12869	37.2
214.15527	28.7
214.17572	1.4
224.13983	8.1
225.12360	13.1
231.09808	1.5
232.12888	3.8
242.15019	15.1
254.14876	1.4
263.14957	2.1
270.39203	1.0
271.13901	1.2
272.12415	3.4
281.16095	10.7
282.14404	4.7
289.15030	6.1
299.17209	11.5
344.18115	1.2
349.29596	1.3
352.23419	3.9
353.21887	32.5
370.24551	4.3
380.22940	10.3
381.21289	12.6
398.23920	11.9
402.23697	1.9
495.25485	9.5
512.21332	1.6
512.28363	25.1
513.26782	1.7
530.29834	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
53.24029	0.7
54.06910	0.7
55.01866	1.0
55.05275	1.0
55.05517	12.2
57.03427	3.2
57.07080	3.7
65.03931	2.5
67.05512	34.2
69.07072	12.7
70.06598	1.5
70.87989	0.7
71.04988	1.8
71.08636	0.9
79.05500	25.1
81.03427	4.9
81.07063	37.8
83.04986	1.7
83.08621	8.4
85.06535	1.7
86.09734	0.8
91.05492	20.0
93.07052	25.8
95.04966	4.5
95.08616	19.5
97.06532	3.7
97.10187	2.6
99.08099	1.7
105.07040	19.8
107.04951	1.5
107.08598	15.6
109.06544	2.4
109.10168	7.7
111.08089	2.5
115.05451	1.7
117.07028	9.8
117.58160	0.7
119.08599	14.5
119.09386	1.4
121.06507	0.9
121.10175	8.5
123.08040	0.8
123.11736	2.9
125.07198	0.7
125.09583	0.9
129.07010	8.2
131.08575	18.8
133.10158	8.5
135.11703	6.3
141.07010	2.8
143.08568	10.6
145.10130	14.1
147.11716	6.2
149.13271	5.4
155.08557	4.9
156.09303	0.8
157.10130	7.0
159.11710	9.0
161.09743	0.9
161.13260	4.8
163.14822	1.0
165.12741	0.8
167.08690	1.1
169.10202	3.8
171.11674	5.0
173.13306	4.4
175.14865	1.7
177.12791	1.7
181.10121	1.8
183.11694	4.7
185.13263	5.1
187.14844	4.5
189.16423	1.2
193.12300	1.1
195.11729	2.2
195.13828	1.5
197.13322	3.0
199.14862	3.4
201.16438	2.7
209.13324	1.1
211.14828	1.8
213.16435	2.1
215.18030	1.1
223.14957	1.0
225.16420	1.6
227.14516	0.9
227.18088	1.0
241.19690	1.0
243.21248	0.9
245.23003	1.4
261.22311	1.4
273.26205	1.2
284.26788	1.4
299.23755	1.0
311.23688	1.0
312.29788	1.3
313.25232	1.3
317.24640	1.4
318.92554	0.9
325.25360	1.4
339.26993	1.5
419.33258	3.8
437.34265	13.1
455.35373	4.1
473.36261	2.6
493.36462	0.8
497.60287	0.7
500.16934	0.7
511.37732	4.8
529.38916	100.0
529.50220	9.0
530.39117	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.05516	2.2
57.03437	0.4
57.07079	0.7
67.05177	0.6
67.05509	7.3
69.03439	0.3
69.07067	2.6
71.04991	0.4
76.66338	0.3
78.41425	0.4
79.05495	3.7
79.07816	0.3
81.03425	6.3
81.07067	7.7
82.80356	0.3
83.08633	2.1
87.04479	0.8
91.05489	2.9
93.07054	3.6
95.04967	2.3
95.08611	5.0
97.06570	0.4
97.10160	0.5
105.07043	2.5
107.04980	0.7
107.08604	1.6
109.10146	1.5
111.08099	0.4
111.21585	0.4
115.05417	0.5
117.07012	1.0
119.08577	2.1
121.06507	0.4
121.10167	1.4
123.11736	1.1
129.07013	1.1
131.08551	1.5
133.10133	1.3
133.95551	0.3
135.11691	0.6
143.08563	0.7
145.10120	0.7
147.11717	0.6
149.13312	0.9
157.10144	0.8
161.13179	0.5
175.11206	0.7
185.13228	0.3
191.11320	0.4
193.12216	3.0
193.13704	0.4
225.48395	0.3
238.86522	0.4
245.22757	0.4
249.14987	0.6
263.23804	0.4
407.61844	0.4
455.34982	0.4
457.15640	0.4
471.36612	14.8
473.36362	0.4
505.98999	0.4
510.77466	0.4
529.37238	100.0
530.37585	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	529.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55025	2.6
55.01870	3.9
55.05510	17.9
57.03428	9.8
57.07080	3.9
61.77047	2.5
65.03962	3.6
67.05507	77.9
69.07073	17.5
71.01341	4.4
71.05008	3.5
71.51514	4.5
73.02933	4.6
79.05500	43.5
81.03426	7.7
81.07058	100.0
83.08607	9.2
85.02906	11.0
85.65243	2.9
91.05481	28.7
93.07049	56.8
93.07630	3.0
95.01340	4.9
95.04992	8.4
95.08613	71.7
97.06543	5.9
97.10171	3.7
100.68786	2.9
105.07027	20.9
105.63197	3.2
107.08586	38.3
108.84736	2.8
109.10162	38.6
113.02386	4.3
117.07045	10.6
119.08622	16.8
121.10144	32.2
123.11700	18.6
126.60290	2.7
129.07033	3.5
131.08568	19.8
133.10120	15.2
135.11703	20.6
137.13255	6.4
141.01825	10.4
143.08476	2.8
145.10138	14.2
147.11700	7.9
149.13208	17.8
159.11693	15.2
161.13242	6.6
162.48355	2.9
163.14812	9.4
171.11658	3.5
173.13290	12.7
175.14935	4.7
184.07405	7.5
187.14854	8.4
193.18462	3.5
195.00319	39.9
197.13208	3.4
243.21092	17.6
261.22150	72.2
279.23172	4.5
303.23279	4.1
335.25790	23.4
353.26889	63.2
391.24545	4.1
431.27951	4.6
464.48474	3.3
517.99994	3.4
529.25214	9.3
529.38013	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	528.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.6
55.05510	9.1
56.92009	1.6
57.03202	1.5
57.03443	12.5
57.07081	16.1
59.05014	8.2
61.02921	2.2
66.20084	1.4
67.05501	6.3
69.03435	19.4
69.07074	63.9
70.06589	6.0
71.05000	5.2
71.08632	10.1
71.20755	1.9
71.29910	3.5
72.08150	4.7
73.06557	12.1
79.05485	4.5
81.03422	2.9
81.07042	6.6
83.08615	4.6
83.27787	1.5
84.04484	1.8
84.08140	6.7
85.02909	16.0
85.10166	4.2
86.09705	4.2
87.04482	11.3
89.05498	2.5
89.06039	36.3
91.05484	3.3
93.07056	1.8
95.08613	2.2
97.02891	16.3
97.06535	1.5
103.03940	2.6
105.07047	2.5
107.04893	1.9
109.10204	2.2
111.04443	2.4
111.11734	85.8
115.03963	14.2
117.09105	1.6
119.08585	3.0
120.08134	3.2
121.10176	2.2
129.12772	100.0
133.04979	12.7
135.11700	2.4
136.07495	1.8
145.04993	2.1
157.12236	5.0
163.11157	2.2
184.07339	1.9
199.16951	25.7
217.18008	28.7
349.25961	2.1
428.56717	1.5
510.18747	2.7
528.30664	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	527.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	2.2
52.79135	0.7
53.03942	8.1
55.01877	32.0
55.05514	20.2
55.32124	0.8
57.03437	6.4
57.07069	1.3
59.04990	1.5
63.44094	0.8
65.03946	6.9
67.05508	89.1
69.03419	2.5
69.07071	14.3
69.75138	4.9
70.06584	2.4
70.62083	0.9
71.01362	1.1
71.05002	10.7
72.08162	1.2
73.02917	2.8
77.03931	2.2
78.10126	0.8
79.05499	87.0
81.03420	10.7
81.07063	60.4
81.07772	1.3
83.04987	71.8
83.08627	9.4
84.08158	1.2
85.02895	7.0
85.06548	8.3
86.09717	1.9
86.31075	0.8
87.04459	1.0
91.05486	53.4
93.03408	2.1
93.07050	87.8
95.01324	1.5
95.04975	24.6
95.08613	26.8
97.02880	1.4
97.06539	29.8
99.04451	12.8
99.08089	3.8
101.02380	2.6
103.05484	2.5
105.04504	2.7
105.07037	21.2
107.04962	47.6
107.08601	43.9
109.02842	1.9
109.06496	6.6
109.10176	15.6
109.10924	1.3
111.04449	100.0
111.07382	1.8
111.08092	24.6
113.06013	1.9
115.05455	3.1
116.06238	1.0
117.07024	26.9
119.08586	27.1
121.06513	9.6
121.10149	56.4
123.04439	3.0
123.08089	2.9
124.41732	0.8
125.05984	10.2
125.09676	1.1
127.03959	1.0
128.06227	1.5
129.05470	2.5
129.07021	10.3
130.07794	6.0
131.04913	4.7
131.08577	20.5
132.05615	1.0
133.10133	2.9
135.08049	5.0
135.11700	61.2
136.07452	0.9
137.09624	2.3
139.07533	1.8
139.11214	1.7
143.08585	3.0
145.06491	12.0
145.10135	62.6
146.10483	1.1
147.08044	4.6
147.11725	4.6
149.09627	12.5
152.56836	1.0
153.06976	2.0
153.12758	41.5
155.05998	1.4
155.08553	14.4
158.07379	1.3
163.11192	93.8
164.11499	1.5
165.09039	1.3
173.09634	42.1
181.12245	63.0
191.10683	59.9
192.29614	0.9
199.13280	1.4
209.11732	34.6
227.12790	54.6
228.13306	1.1
265.14371	70.7
283.15417	48.7
283.18576	2.0
301.16547	5.9
352.80878	0.9
427.24841	1.3
445.26056	2.3
473.25549	7.9
491.26505	11.4
509.27704	6.6
527.28571	29.1
528.29083	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44411	1.2
51.02375	1.9
53.03947	10.6
55.01871	30.4
55.05274	1.6
55.05513	18.1
57.03440	6.4
57.07067	3.2
59.05000	1.4
59.65590	1.6
65.03939	6.6
67.05505	78.7
68.57032	1.2
69.06796	1.4
69.07072	13.8
70.96287	1.6
71.05002	8.4
73.02896	3.5
76.59777	1.2
77.03899	2.1
77.58625	1.3
79.05495	80.3
80.05834	1.8
81.03409	12.5
81.07058	58.5
83.04983	66.5
83.08617	7.3
85.02908	7.3
85.06551	7.4
88.52515	1.3
91.05485	45.1
93.07046	78.3
94.07335	1.6
95.01297	2.5
95.04971	20.0
95.08614	27.1
97.02883	1.9
97.06542	24.6
99.04465	12.0
99.08118	3.0
101.02376	2.7
105.04512	3.1
105.07036	19.3
107.04959	47.3
107.08598	37.4
109.02869	1.4
109.06513	4.7
109.10155	16.2
111.04444	100.0
111.08076	25.5
115.05447	1.8
117.07023	22.9
119.08585	25.6
121.06499	9.4
121.10146	56.4
123.04412	2.3
123.08052	2.6
125.05996	9.2
129.05495	2.7
129.06987	8.2
130.07782	4.9
131.04878	6.4
131.08574	21.6
135.08054	5.5
135.11690	55.9
135.12715	2.8
139.07536	2.3
143.08548	1.9
145.06509	11.7
145.10124	52.1
147.08022	3.8
147.11671	3.1
149.05956	1.4
149.09622	10.8
153.12741	40.3
155.08568	9.9
158.07339	2.4
163.11183	95.4
164.11505	1.5
173.09616	41.2
181.12236	60.0
182.99225	1.4
191.10677	62.5
209.11726	34.8
218.40210	1.3
227.12773	51.4
229.36946	1.5
253.72144	1.4
265.14371	71.1
283.15405	58.1
291.32080	1.7
301.16370	5.0
317.64319	1.4
427.25101	1.6
445.25644	3.5
473.25409	8.8
491.26492	16.1
509.27435	5.6
527.28558	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.6
55.01874	36.6
55.05510	22.1
57.03442	5.9
57.07074	2.3
59.05005	1.2
65.03941	7.1
67.05507	90.8
69.03433	2.9
69.07071	15.4
69.88329	3.9
70.06606	1.8
71.01353	1.1
71.04994	8.1
72.08158	1.3
73.02917	1.6
77.03940	2.6
79.05498	88.0
79.68365	0.9
81.03423	14.2
81.07059	62.1
81.60704	0.7
83.04984	78.3
83.08623	9.6
85.02912	6.9
85.06546	8.0
87.04444	0.8
91.05484	52.7
93.03399	2.5
93.07047	87.7
95.01347	1.1
95.04971	24.8
95.08608	29.6
97.02923	1.3
97.06535	28.8
98.02557	0.7
99.04456	15.0
99.08064	3.6
101.02396	2.5
103.05486	3.8
105.03407	1.2
105.04545	3.5
105.07033	19.6
107.04960	51.5
107.07999	0.6
107.08598	47.2
109.06506	6.2
109.10160	15.3
111.04448	100.0
111.08081	26.2
112.04768	1.3
113.06020	2.2
115.05472	3.0
116.06213	1.0
117.07020	28.2
119.07964	0.6
119.08591	26.9
121.06510	9.7
121.10148	58.0
123.04430	3.3
123.08071	3.1
125.06007	8.2
127.03932	1.6
128.06248	1.7
129.05501	2.1
129.07010	10.0
130.07814	6.9
131.04913	5.1
131.08577	24.6
132.05685	1.0
133.06490	1.0
133.10168	3.6
135.08075	6.8
135.11699	63.3
137.09619	1.4
139.07605	1.5
139.11209	1.1
143.08572	2.6
144.05777	1.0
145.06483	12.8
145.10129	68.2
146.10509	1.2
147.08037	5.4
147.11684	4.8
149.06009	1.1
149.09615	13.8
153.07037	2.9
153.12746	44.2
155.06039	1.4
155.08560	12.6
158.07266	1.2
163.11189	96.2
165.09142	0.8
173.09631	42.7
181.12241	68.6
191.10680	63.5
209.11739	37.0
227.12794	56.6
228.13043	0.8
237.14845	0.9
265.14355	76.1
266.14783	1.2
283.15408	53.3
301.16501	4.9
353.21356	0.9
445.26083	2.7
455.24567	1.4
473.25314	9.2
491.26453	14.3
509.27499	7.2
527.28625	30.0
528.28973	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90805	0.9
55.05502	1.8
57.07080	28.0
62.02322	1.0
63.01004	1.0
63.07153	1.0
67.05500	1.2
69.07064	4.0
69.46715	4.8
69.47124	2.5
70.41528	0.9
71.08640	25.7
73.06574	6.4
81.07068	1.1
83.08612	1.7
85.10194	14.6
87.04474	2.9
89.06039	100.0
97.10158	2.7
99.11715	3.0
107.07143	1.1
111.11720	3.0
113.13254	1.8
117.09122	2.8
127.80171	1.0
130.08603	1.2
130.13263	1.0
133.08614	52.7
159.39749	1.0
168.84225	1.1
177.11230	18.6
183.21074	3.3
221.13884	4.8
227.23656	2.5
239.14861	2.9
271.26361	5.6
283.17450	1.9
315.28946	1.9
327.20181	12.4
349.31940	1.2
460.23923	1.1
509.40466	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	526.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.9
57.07082	61.4
59.05003	2.0
60.08152	1.3
65.31094	1.1
67.05498	2.7
69.07073	7.7
70.06575	1.2
70.96695	1.3
70.97016	2.6
71.05661	1.1
71.08637	58.6
73.06545	3.8
79.05493	1.7
81.07056	3.2
83.08623	4.0
85.10191	34.6
86.09700	3.6
87.04475	4.9
89.06042	100.0
91.05453	1.3
93.07073	1.4
97.10159	3.4
99.11743	8.3
99.12308	1.1
102.29174	1.3
103.03898	1.7
104.10783	7.7
105.11093	2.0
107.07068	2.6
111.11726	3.6
113.13261	6.4
117.09148	3.2
119.08512	1.2
125.00018	3.4
125.13295	2.6
127.14815	3.5
130.08705	1.4
133.08615	67.1
145.10045	1.7
177.11234	26.0
182.83218	1.3
183.21077	2.2
184.07375	7.9
185.07652	2.9
221.13910	6.4
239.14891	3.3
271.26282	5.3
271.80524	1.3
283.17480	4.2
315.29062	4.3
327.20184	20.7
509.40598	16.2
526.36835	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	526.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85933	0.9
55.05520	15.6
57.03442	12.4
57.07070	5.5
59.05005	6.0
65.03942	2.4
65.11058	0.9
67.05510	100.0
69.06734	1.3
69.07073	14.2
69.19468	10.2
69.20085	0.9
71.04981	2.6
71.08643	2.4
72.57039	1.0
75.32469	0.9
79.05503	11.3
81.07065	47.5
83.08627	11.8
85.06554	2.6
87.55376	1.4
89.06030	12.7
91.05490	10.8
93.07060	9.6
95.08614	27.6
97.06541	1.9
97.10160	3.2
99.08102	1.2
105.07033	5.3
107.08617	6.9
109.06551	1.0
109.10165	66.5
111.08093	3.7
119.08605	6.5
121.10164	4.1
123.11706	3.5
129.80844	0.9
133.08617	9.7
133.10143	3.5
135.11693	3.1
137.09634	3.5
137.13290	1.4
147.11711	2.4
149.13235	1.5
155.10698	7.2
161.13199	1.5
163.14897	1.6
173.11760	15.7
177.11237	2.7
202.96460	1.0
225.47638	1.2
229.14372	62.8
230.14658	1.2
238.54674	1.1
245.22684	2.0
263.23767	4.0
326.14679	1.1
327.20251	5.4
337.27383	67.3
338.27689	1.1
491.37363	44.7
492.37662	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	525.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.7
61.73405	0.4
67.05517	0.9
69.03420	0.4
69.74287	1.3
69.74700	1.0
70.06592	0.6
72.08138	0.5
79.05515	0.6
81.07057	0.8
83.04984	0.4
84.08159	0.4
85.06495	0.5
91.05499	0.9
93.07065	0.8
95.04956	0.8
95.08617	0.7
96.94778	0.4
98.21422	0.6
102.60490	0.4
105.07027	1.0
107.08620	0.4
121.06513	0.5
123.21019	0.4
131.08598	0.5
133.10152	0.6
145.10222	0.6
161.09731	0.6
163.11188	0.5
182.75580	0.4
201.03769	0.5
203.05316	0.9
225.11098	0.4
283.15637	0.6
306.12177	0.5
345.24045	12.5
345.28094	0.7
347.25613	27.7
363.25000	0.7
381.56076	0.4
507.25842	0.5
525.30420	100.0
526.30829	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	525.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.0
63.00331	0.6
65.03946	0.6
67.05521	2.2
69.03426	0.7
69.07077	0.8
70.06597	1.0
71.50319	1.0
72.08160	0.7
79.05498	1.4
81.07052	1.9
83.08644	0.7
85.02917	0.8
91.05499	1.5
93.07056	1.7
95.08617	0.7
105.07044	1.0
107.08602	0.7
109.10124	0.7
119.08604	0.9
121.10183	0.9
133.10158	1.4
135.08121	0.8
145.10104	1.6
163.11139	0.9
201.03783	3.0
203.05331	2.3
227.12779	0.8
345.24127	4.3
347.25607	17.1
525.30432	100.0
526.30750	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	525.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	11.7
53.03944	13.6
55.01879	31.7
55.05273	4.0
55.05518	56.3
56.76715	3.8
57.03431	7.0
59.04995	10.5
64.94647	3.3
65.03942	6.4
67.05510	87.3
67.11212	3.5
69.03417	7.4
69.07085	19.2
69.90208	15.8
71.04988	11.6
71.68768	3.7
72.08144	3.1
73.02865	3.1
77.03953	3.5
79.05499	85.2
81.03421	24.2
81.07059	86.1
83.04988	60.5
83.08625	22.2
85.02915	9.5
85.06545	7.3
89.45049	3.3
91.05490	90.0
93.06492	5.7
93.07054	100.0
95.04989	26.6
95.08620	33.1
97.02903	17.0
97.06543	25.4
99.00826	40.4
99.04462	10.0
99.08062	4.0
103.05467	5.3
105.04537	5.3
105.07031	54.7
107.04973	50.1
107.08607	48.1
109.02906	25.7
109.06528	15.4
109.10175	21.2
109.20772	3.8
111.04457	83.5
111.08094	28.0
113.05973	4.7
115.03938	6.5
117.07043	27.1
119.08581	49.4
121.06531	28.3
121.10146	43.5
123.04462	7.1
123.08061	10.6
123.11693	10.0
125.05994	7.3
127.03940	5.6
128.06235	7.5
129.05505	5.4
129.07021	9.8
131.08609	19.4
133.06512	3.8
133.10146	76.3
135.08041	5.7
135.11707	48.1
137.05975	6.1
137.09630	5.4
139.07558	6.3
143.08575	14.0
145.06514	7.7
145.10136	51.1
147.08098	6.2
149.09581	10.0
151.11192	23.4
153.12747	37.9
155.08554	6.1
161.09616	40.7
163.11194	73.4
171.08064	6.2
173.09627	32.5
179.10672	24.4
181.12245	67.0
189.09148	23.2
191.10686	57.4
197.11646	7.1
207.10188	11.6
209.11684	26.9
225.11246	32.4
227.12807	43.5
243.12148	4.1
256.48752	3.3
265.09961	3.6
265.14359	53.7
281.13895	7.7
283.15417	42.8
299.14856	11.2
301.16446	3.9
390.19470	3.5
489.40323	4.6
495.68271	3.9
507.25586	21.4
525.26849	89.1
525.33850	5.9
526.27203	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	525.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	2.9
53.00313	14.0
53.03949	9.7
55.01877	34.1
55.05518	51.3
57.03441	7.6
57.07050	2.3
59.05015	10.2
65.03939	9.5
67.05509	100.0
69.03429	8.4
69.07069	16.6
71.01322	4.3
71.05000	11.3
73.02890	4.1
77.03903	2.9
79.05502	83.6
81.03005	1.8
81.03421	24.7
81.07063	82.3
83.04990	65.6
83.08166	1.8
83.08620	27.4
85.02874	5.5
85.06560	10.9
87.04513	1.5
91.05487	98.9
93.03373	3.2
93.07051	97.4
95.04979	27.0
95.08617	32.1
97.02894	12.5
97.06534	27.6
97.10130	3.5
97.79371	1.5
99.00824	41.3
99.04472	11.8
99.08054	5.4
101.02383	3.5
103.05431	6.1
105.04483	4.0
105.07042	62.4
107.04964	51.9
107.08602	53.1
109.02891	32.7
109.06530	12.0
109.09487	1.8
109.10165	25.5
111.04453	86.5
111.08091	32.7
113.06007	3.4
115.03880	6.6
115.05415	4.6
117.07027	26.5
119.04910	2.7
119.08588	45.1
121.06517	25.0
121.10153	42.6
123.04388	7.1
123.08016	4.7
123.11662	4.0
125.05986	8.6
127.03886	7.6
128.06177	6.7
129.07016	9.4
130.07701	4.2
131.04854	4.0
131.08580	20.4
133.06432	5.1
133.10139	79.1
135.08096	7.5
135.11703	53.0
137.05940	4.2
137.09532	4.1
139.07568	7.2
143.08572	13.3
145.06494	7.8
145.10130	46.1
146.07207	1.9
147.07977	5.4
147.11644	5.0
149.09634	11.7
151.11195	22.7
153.06961	2.1
153.12764	41.7
155.08585	12.9
161.09628	46.1
163.11195	83.7
165.09041	2.7
171.08061	7.9
173.08157	1.9
173.09637	31.6
179.09164	1.7
179.10674	26.0
181.12242	68.7
189.07695	2.1
189.09132	21.7
191.10680	57.7
197.11740	8.0
207.10184	10.9
209.11754	31.2
225.09096	2.3
225.11208	36.3
227.10619	2.6
227.12794	48.5
243.12163	6.1
265.14352	45.0
279.53409	1.4
281.13864	10.5
283.12491	2.9
283.15399	42.9
299.14908	12.8
345.24167	2.7
347.25385	4.6
473.58267	1.4
488.19058	1.5
489.24722	3.6
507.25958	25.7
525.26642	77.6
526.26898	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	525.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	12.6
53.03949	12.7
55.01625	3.6
55.01873	35.1
55.05272	3.7
55.05517	53.5
56.05414	2.3
57.03436	7.3
59.04997	6.3
65.03938	8.6
67.05509	86.7
69.03435	7.2
69.07075	13.5
70.62879	7.2
71.01345	4.4
71.04996	8.1
73.02917	4.1
77.03938	2.9
79.05500	86.9
81.03418	20.1
81.06590	4.5
81.07063	87.7
83.04986	61.1
83.08621	22.4
85.02905	7.2
85.03377	2.2
85.06531	7.7
86.35622	2.2
91.05489	96.2
93.07050	100.0
95.01363	2.3
95.04980	32.3
95.08609	33.6
97.02908	10.9
97.06543	26.8
97.10176	3.8
98.88255	2.6
99.00826	40.9
99.04466	12.1
101.02363	3.3
103.05466	8.0
105.07037	64.2
107.04967	47.3
107.08602	50.7
109.02877	23.8
109.06557	8.4
109.10165	29.1
111.04451	80.8
111.08082	28.9
115.03912	5.7
115.05426	4.4
116.85588	2.3
117.07030	20.6
119.08608	36.9
121.02894	2.8
121.06538	21.8
121.10149	41.5
123.04433	6.0
123.08054	5.9
123.11699	5.8
125.06036	4.4
128.06229	7.2
129.07021	8.6
130.07835	3.2
131.04938	4.4
131.08585	22.7
133.06523	5.1
133.10135	78.5
135.08047	7.8
135.11694	42.8
137.09624	2.9
139.07533	6.3
143.08604	12.0
145.06448	11.1
145.10132	36.7
147.08086	5.4
147.11714	3.1
149.09636	8.8
151.11174	18.9
153.07021	3.0
153.12766	34.2
155.08534	11.1
158.07355	3.2
161.09633	38.0
163.11197	77.1
165.09091	3.0
171.08110	9.5
173.09647	30.3
179.10707	19.7
181.12247	66.4
182.12671	2.1
189.09105	22.0
191.10686	59.7
197.11716	5.6
207.10181	9.8
209.11740	27.4
209.41078	2.3
225.11250	26.3
226.32707	2.7
227.12793	44.1
243.12389	7.0
250.75301	2.3
265.14383	43.8
281.13840	9.1
283.15399	33.9
299.14996	9.9
318.05188	2.4
414.90622	2.7
507.26154	19.7
525.27582	66.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.0132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78508	0.8
66.33482	0.7
70.29780	2.1
77.95946	0.8
85.97655	0.8
88.51692	0.7
98.97594	10.0
106.28195	0.8
116.03714	0.8
116.98642	4.1
134.99675	1.4
176.42677	0.9
187.54663	0.8
198.97922	0.8
202.58931	0.8
216.99016	3.7
222.98061	1.3
235.00017	7.8
236.00108	1.0
240.98973	8.5
258.99997	40.7
260.00162	2.4
261.00375	1.0
261.03183	2.0
264.99051	1.1
274.97968	4.6
277.01019	25.1
278.01300	1.6
283.00024	43.1
284.00085	4.3
285.00003	1.5
292.99222	1.6
298.98105	4.0
301.01083	35.1
302.01254	3.2
303.01047	1.9
316.99139	5.4
317.99118	1.3
322.98154	1.6
335.00244	1.1
340.99292	3.2
359.00119	22.6
360.00302	1.4
364.98734	5.4
383.00116	28.7
383.05008	1.5
384.00418	2.3
401.01187	100.0
402.01279	9.6
403.01434	1.0
419.02228	1.3
424.02921	2.1
425.01172	2.8
440.99570	1.4
443.02408	4.4
444.02487	1.0
483.00250	1.9
507.00256	9.5
508.00806	1.3
525.01367	91.1
526.01422	11.1
542.99176	2.3
548.03534	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	524.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	3.4
57.07083	38.5
59.05008	100.0
66.12338	0.7
69.07079	5.3
71.08638	33.7
71.11278	1.2
73.06563	7.8
81.07058	1.4
83.08625	5.5
85.09672	0.6
85.10190	21.0
87.04475	2.5
89.06042	46.9
97.10180	5.9
99.11739	2.4
103.07591	85.7
111.11716	3.5
113.13287	1.7
114.68824	0.6
117.09128	4.1
125.13266	2.4
127.14875	1.4
133.08612	15.2
140.34554	0.6
141.16400	1.5
147.10176	32.7
155.17969	1.0
177.11267	5.5
191.12766	1.7
209.13840	0.8
211.24200	2.1
219.29831	0.6
242.70624	0.6
253.16461	1.3
255.26851	1.5
283.54907	0.8
297.19113	11.7
299.29459	5.2
343.32281	3.0
363.14124	0.7
507.42068	2.5
524.45380	11.6
524.57745	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.9
57.07079	38.8
59.04716	1.5
59.05003	26.0
69.07076	4.0
69.40354	4.0
69.40784	3.1
71.08637	31.0
73.06562	4.7
73.83452	0.8
77.06012	1.6
79.60577	0.8
83.08643	4.1
84.92432	0.9
85.09674	1.0
85.10188	21.1
87.04473	23.7
89.06036	49.1
97.10200	4.8
99.11730	3.4
103.03949	100.0
103.06899	1.6
103.07584	25.4
107.07037	0.9
111.11714	2.4
113.13264	1.5
117.09103	2.6
119.07038	1.7
121.08630	1.9
127.14826	1.2
131.07057	9.1
133.08604	13.8
141.16408	1.5
147.06522	10.8
147.10173	22.4
155.17921	1.3
163.09621	4.2
165.11255	3.5
175.09691	3.8
177.11221	6.2
191.09096	4.9
195.12277	2.2
207.12277	3.2
211.24229	2.0
235.11774	5.1
235.15230	1.5
236.53745	0.9
251.14967	8.5
255.26935	1.5
269.15909	1.2
279.14426	3.5
297.15387	8.2
299.29471	8.2
305.02325	1.0
321.84607	0.9
343.32074	1.0
507.38705	4.6
524.23926	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	524.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	14.1
57.03442	12.3
57.07084	9.3
59.04995	6.3
62.41315	1.7
65.03928	3.4
67.05509	100.0
69.07069	9.4
70.07372	2.1
71.04984	3.4
71.08629	5.6
71.51337	2.0
76.01137	1.6
79.05493	21.0
81.03426	9.0
81.07060	33.7
83.08624	10.2
85.06540	3.7
87.04480	10.7
89.06013	2.2
91.05487	12.0
93.07052	23.4
95.04958	3.4
95.08618	22.3
97.10135	2.1
103.03960	1.8
104.10722	2.2
104.75684	1.8
105.07016	6.2
107.08587	13.1
109.10161	64.2
111.08069	3.8
117.07006	2.7
119.08599	10.8
121.10118	8.7
123.11711	3.1
125.09662	2.3
131.08531	3.0
133.10194	2.3
135.11740	4.1
137.09592	1.8
145.10100	4.6
147.11720	2.6
153.45882	1.8
155.10695	6.1
159.11694	2.1
163.14815	2.8
173.11784	20.4
173.13216	3.2
173.99786	1.5
193.12347	2.8
194.12579	1.8
229.14360	66.0
243.21185	2.3
260.00021	1.7
261.22226	11.5
267.15851	5.4
268.16238	2.0
313.27307	2.3
314.27805	5.4
317.24371	2.9
317.28137	1.9
320.12189	1.7
335.25821	57.5
448.83704	1.8
489.35818	30.3
506.39148	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	524.372
Annotation	PAF C-16
Peak:m/z	Relative Intensity
50.13200	0.2
52.36480	0.2
55.05508	0.4
56.05022	0.7
57.07068	0.5
58.06619	0.6
59.04995	0.2
60.08170	6.3
67.05496	0.6
69.07065	0.6
69.97626	0.9
70.06596	0.5
71.07377	3.0
71.08625	0.4
79.05486	0.2
81.07055	0.3
82.38689	0.2
83.08616	0.5
85.10157	0.3
86.09713	30.6
89.06043	0.2
91.05466	0.2
93.07059	0.4
95.08627	0.6
97.10166	0.3
98.98469	3.2
104.10756	2.8
105.07060	0.3
107.08589	0.2
108.97785	0.2
109.10175	0.4
116.07161	0.2
125.00018	21.6
154.08698	0.3
162.12822	0.5
184.07355	100.0
185.07750	0.4
192.27899	0.2
220.13506	0.2
222.11385	0.3
252.77158	0.2
340.84363	0.2
341.30518	0.2
360.18491	0.2
401.88983	0.2
478.40582	0.9
506.36447	0.8
524.41406	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	524.3716
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
54.37929	0.2
56.05042	1.3
57.03440	0.6
57.07081	3.3
58.06584	1.6
59.07374	0.4
60.08167	17.2
66.72286	0.2
67.00336	0.2
67.05505	0.6
69.07075	0.4
69.65414	0.7
69.65820	0.7
70.06600	0.4
71.06986	0.4
71.07378	7.2
71.08630	1.5
78.57540	0.2
81.07043	0.7
83.08609	0.5
85.10180	0.8
86.09708	52.0
95.08606	1.0
98.98471	4.1
104.10748	100.0
105.11118	0.4
109.10160	0.3
110.19506	0.2
111.11766	0.3
123.11718	0.2
125.00010	30.1
163.01558	0.8
184.07347	99.1
185.07687	0.4
258.11038	1.0
341.30478	1.4
447.28775	0.4
498.08829	0.3
505.85641	0.3
506.36145	8.2
524.37067	27.3
525.37726	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25722	0.3
55.05521	0.5
56.05042	1.3
57.03438	0.6
57.07079	3.3
58.06350	0.3
58.06610	1.3
60.08168	15.4
63.18563	0.3
67.05501	1.7
69.07079	1.2
70.06601	0.4
70.80888	0.5
71.07377	6.6
71.08273	0.3
71.08638	1.6
81.07065	1.1
83.08634	1.0
85.10179	0.9
86.09712	49.3
89.06001	0.4
91.05498	0.4
95.08591	1.7
97.10171	0.7
98.98469	3.4
104.10752	96.4
105.06998	0.3
109.10159	0.8
119.49887	0.4
125.00014	26.2
163.01582	0.7
181.02646	0.5
184.07355	100.0
193.12289	0.4
194.12593	0.3
258.11038	1.2
267.15857	0.4
268.16064	0.4
314.27603	0.5
341.30475	1.1
396.61908	0.4
447.28482	0.4
506.36105	7.9
524.36920	29.7
525.37561	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.0
55.05506	3.3
57.03450	1.5
57.07056	1.3
59.05002	1.5
59.68821	0.8
61.96144	0.7
67.05502	5.1
69.03445	1.0
69.07059	3.6
70.06583	2.8
71.28776	0.7
71.29098	1.3
73.00488	0.7
79.05497	4.1
81.06592	1.4
81.07059	22.2
83.04983	3.8
83.08641	1.8
91.05462	3.8
93.07067	4.3
93.97883	0.6
95.04951	1.1
95.08604	5.0
97.06562	2.0
100.07594	0.9
105.07011	4.2
107.08609	4.4
109.06529	9.1
109.10142	2.9
111.03718	1.2
111.04446	16.8
111.08101	1.0
119.08591	4.9
121.10133	4.6
123.08054	1.6
123.11712	2.2
125.06003	6.3
125.27594	0.9
128.07143	1.0
131.08559	3.1
133.10173	4.1
135.08035	2.4
135.11703	4.3
137.05986	100.0
137.13281	2.0
143.08531	1.5
145.10106	3.8
147.08075	1.1
147.11697	5.3
149.09680	3.6
149.13260	1.6
151.07555	2.5
151.11122	0.7
155.08612	0.7
157.10133	2.2
159.11702	1.3
161.09647	6.6
161.13272	3.0
163.11223	4.3
163.14883	1.2
165.09152	2.9
165.12776	1.1
167.10593	1.1
171.11696	1.9
173.13266	1.4
175.11209	5.5
175.14787	1.2
177.12782	1.1
179.10692	2.5
181.12244	2.4
189.12730	1.4
193.12393	0.7
194.11771	0.7
203.17976	5.9
213.16438	2.8
216.06355	1.2
218.41782	0.9
221.18916	1.8
231.17488	8.6
241.15848	1.5
249.18523	7.4
277.18008	59.4
278.18314	0.8
295.19046	8.6
320.22195	2.5
351.21686	52.8
383.24304	47.2
384.24509	1.2
431.18323	1.9
448.32010	0.9
474.22897	1.4
492.23758	1.9
524.26038	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	523.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.7
53.16176	4.6
55.01869	10.7
55.05511	49.4
57.03436	18.0
57.07077	15.6
58.46962	4.8
67.05510	98.3
69.03436	25.7
69.07069	29.2
70.27561	5.4
70.62844	14.4
71.04987	12.5
71.08624	11.2
77.02257	5.2
79.05489	54.0
81.03421	54.1
81.07059	100.0
83.04978	12.4
83.08616	28.8
85.02915	22.2
85.69644	5.5
89.06044	9.3
91.05461	37.7
93.07050	73.3
95.04961	16.6
95.08605	76.5
97.02889	17.7
97.06524	11.4
99.04472	5.9
99.08076	10.8
105.07018	36.1
107.04956	6.0
107.08606	48.3
109.02892	8.9
109.06490	6.8
109.10175	39.6
111.04449	13.1
111.08083	11.4
117.07025	24.3
119.08575	44.0
121.10133	40.6
123.08063	12.4
123.11715	23.6
127.03941	14.5
129.06972	6.6
131.08589	17.8
133.08640	8.5
133.10156	26.3
135.08026	5.5
135.11702	23.7
137.13310	6.2
143.08586	10.2
145.10133	20.5
147.11682	23.7
149.09541	6.5
149.13255	13.2
151.07607	7.9
155.08568	7.4
157.10126	6.5
159.11708	13.0
161.09665	10.3
161.13254	11.7
163.11263	6.9
163.14697	7.2
171.11702	13.0
173.13255	15.8
175.14781	5.4
187.14874	7.4
193.12254	14.6
197.13434	5.7
199.14743	8.9
209.11754	12.4
222.64203	5.6
245.72127	5.0
246.67134	5.5
261.22110	26.4
267.15912	14.5
267.59698	5.5
277.21564	8.7
279.23462	9.0
281.26697	6.0
285.22241	8.6
303.23077	12.0
307.07797	5.3
313.27246	9.4
315.23138	7.2
369.24301	21.9
387.25275	49.5
405.26138	25.5
423.27667	8.7
487.34140	9.6
505.35303	8.5
523.26764	10.9
523.38843	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	523.3635
Annotation	Lycernuic acid C
Peak:m/z	Relative Intensity
53.03934	10.8
55.01871	6.2
55.05511	48.7
57.03430	11.7
57.07079	25.7
65.03941	4.2
67.05508	81.7
69.03430	30.9
69.07076	40.9
70.90446	8.5
70.90766	6.0
71.04971	9.5
71.08628	12.7
76.16410	4.0
79.05493	63.2
81.03419	42.5
81.07063	96.0
83.08614	24.9
85.02905	35.8
85.10189	7.5
87.04464	6.5
89.06041	38.3
91.05479	61.6
91.71360	4.6
93.06480	7.2
93.07045	100.0
94.07385	5.6
95.04963	9.5
95.08608	82.6
97.02870	14.0
97.10153	10.1
99.04430	6.0
105.07036	67.9
107.08592	57.1
109.02863	15.9
109.10157	36.0
111.04465	9.7
115.05354	4.8
117.06971	19.0
119.08584	60.0
121.10143	56.8
123.11696	15.4
127.03916	7.3
129.07030	9.9
131.08606	32.1
133.08571	18.9
133.10155	55.1
135.11713	36.6
137.13242	11.0
143.08507	10.0
145.10118	24.5
147.11703	46.9
149.13231	26.0
155.08578	5.9
157.10144	13.0
159.11737	22.7
161.13268	25.5
163.14807	13.8
165.16312	6.2
171.11717	6.3
173.13286	16.8
175.14877	19.1
177.16409	11.1
183.11601	6.5
185.13275	9.9
187.14783	12.5
189.16335	12.9
191.17926	10.2
193.12273	8.4
199.14764	9.0
201.16362	10.3
203.18019	8.8
205.19543	11.7
213.16470	7.3
215.17938	4.7
217.19527	8.7
227.18039	7.5
229.19527	4.8
231.21344	4.6
241.19359	7.4
261.22256	5.1
267.16043	8.2
273.22034	7.2
287.23642	7.3
301.25238	8.1
313.27139	8.3
325.28909	5.4
341.28262	21.5
343.29944	77.9
343.33710	7.6
355.29852	6.8
361.30829	9.8
383.34354	4.4
385.30960	7.6
391.29843	5.6
397.30679	5.7
405.26379	8.0
433.30853	5.2
451.32111	20.4
469.33221	38.8
470.33575	5.1
487.34180	47.3
505.35214	97.0
523.36115	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	15.7
53.03949	10.1
55.01877	10.4
55.05273	2.5
55.05521	40.5
57.03428	4.4
57.07066	1.9
59.04992	4.8
65.03931	2.5
67.05514	38.9
69.03420	6.6
69.07053	5.9
70.06599	3.6
71.01338	5.3
71.05000	1.7
72.08134	2.4
73.02895	2.9
79.05493	27.5
81.03425	16.8
81.07068	46.7
83.04993	7.8
83.08636	28.2
84.08164	1.8
85.02916	3.8
85.06545	4.3
86.09711	2.3
91.05492	70.5
93.07058	42.1
95.04982	13.0
95.08620	11.5
95.63298	1.7
97.02905	16.0
97.06577	7.9
97.10186	3.2
98.20793	4.1
99.00211	2.8
99.00832	46.9
99.04386	1.8
102.86304	1.7
103.05463	7.2
105.07044	61.2
107.04974	16.5
107.08617	21.0
109.02894	36.3
109.06507	5.6
109.10181	12.8
111.04473	3.6
111.08097	8.7
111.25478	1.6
113.06059	2.0
115.03934	7.2
117.07029	11.4
119.04956	2.3
119.08587	24.6
121.02840	1.9
121.06516	21.2
121.10147	2.3
123.04436	6.2
123.08036	3.0
123.11711	7.0
127.03918	6.5
127.88510	1.4
128.06226	7.4
129.06973	2.4
131.08589	4.5
132.32817	1.6
133.06493	5.2
133.10146	100.0
135.08080	3.9
135.11690	1.8
137.05980	4.0
137.09619	4.1
139.07576	9.2
143.08580	13.7
145.06471	3.2
147.08026	3.4
151.11191	35.7
153.07021	2.1
161.09642	63.7
163.11194	4.9
165.09132	3.2
171.08063	11.4
179.10696	42.5
188.61575	1.6
189.09123	46.1
197.11736	19.5
207.10197	19.7
225.11253	58.4
237.70911	1.7
243.12378	9.9
281.13806	16.3
285.09491	8.9
523.24896	92.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	14.1
53.03952	7.2
55.01875	10.2
55.05516	39.1
55.44661	1.1
57.03438	3.6
57.15588	1.0
59.05000	6.0
65.03944	2.3
67.05510	35.5
69.03432	4.8
69.07078	8.0
71.01347	4.8
71.04993	3.0
73.02918	2.1
77.03889	1.7
79.05502	30.9
81.03422	10.4
81.06596	2.2
81.07064	41.8
83.04989	7.5
83.08624	22.1
85.02905	1.8
85.06537	3.5
89.23502	1.1
91.05486	67.6
93.03446	1.4
93.07050	37.7
94.04628	1.0
95.04987	11.7
95.08620	10.5
97.02900	15.6
97.06527	9.7
97.10159	1.6
99.00820	47.3
99.04491	3.0
99.08086	2.1
101.02382	2.3
103.05463	5.4
105.07040	52.5
107.04966	20.4
107.08599	17.6
108.38792	1.1
109.02889	33.2
109.06538	7.7
109.10162	11.3
111.04459	5.3
111.08080	8.9
113.84162	1.1
115.03960	6.6
115.05456	2.3
117.07031	9.0
119.04935	3.7
119.08588	22.1
121.02882	2.7
121.06516	23.5
123.04440	3.8
123.08063	4.4
123.11710	7.1
127.03931	4.8
128.06215	6.8
129.06967	1.2
131.08589	4.7
133.06503	4.5
133.10139	100.0
135.08087	3.4
135.11726	3.4
137.05995	3.0
137.09618	4.2
139.07544	9.2
141.05446	2.1
142.88174	1.3
143.08571	16.8
145.06485	3.7
145.10176	1.5
146.07265	1.5
147.04440	2.3
147.08060	4.5
151.11192	29.7
153.07011	2.3
161.05948	1.5
161.09625	60.6
163.11201	3.5
165.09154	2.0
171.08032	10.5
179.10681	35.8
179.12219	2.4
189.09131	35.7
190.09299	1.2
197.11740	13.3
205.54468	1.2
207.10170	13.5
225.11230	46.6
225.13422	2.7
243.12341	6.6
281.13858	12.7
299.14954	1.8
523.25409	77.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	0.3
56.05039	0.7
57.07076	0.2
58.06610	0.4
60.08170	6.7
67.05522	0.4
69.07079	0.4
70.75940	0.4
71.07384	3.5
86.09711	33.9
93.07073	0.2
98.98465	3.6
104.10741	3.5
125.00012	22.7
132.22285	0.2
184.07352	100.0
185.07660	0.4
258.11041	0.2
270.81381	0.2
364.69873	0.2
378.15646	0.2
504.34229	0.8
522.35449	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	522.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55944	0.2
50.84394	0.2
55.05523	1.8
56.05042	1.7
56.90574	0.2
57.03416	0.4
57.07068	0.7
58.06577	1.4
60.08168	16.2
62.11081	0.2
67.05495	0.9
69.07069	2.0
69.14668	0.3
69.15069	2.4
70.06580	0.2
71.07382	6.7
71.08611	0.2
73.33187	0.2
75.61382	0.2
79.05509	0.8
81.07044	1.2
83.08614	1.1
83.92108	0.3
84.74535	0.2
86.09712	50.7
87.09987	0.3
91.70087	0.2
93.07068	0.7
94.55482	0.3
95.08608	1.0
97.10180	0.4
98.98471	4.6
104.10752	91.8
105.11076	0.7
109.10130	0.3
121.10121	0.5
125.00014	28.6
135.11676	0.5
163.01593	0.6
184.07353	100.0
185.07736	0.5
188.84723	0.2
197.56828	0.2
211.06944	0.3
235.82237	0.2
258.11118	1.0
339.29034	1.1
368.91751	0.3
428.23840	0.3
444.92288	0.3
445.27118	0.5
504.34552	7.6
512.50037	0.3
522.35602	24.0
523.36169	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81508	0.6
50.86899	0.6
53.03939	1.3
55.05270	1.1
55.05514	12.2
57.03196	0.7
57.03436	7.3
57.07059	1.9
60.04540	1.0
60.08159	6.4
61.08472	0.6
65.50135	0.7
67.05505	25.5
69.07070	14.1
70.02940	0.9
70.76415	1.9
71.04995	0.7
71.07349	1.8
79.05496	8.3
81.07059	24.7
83.04963	0.8
83.08615	8.5
86.09705	15.9
87.09406	0.6
87.10051	4.2
88.03989	5.9
91.05468	4.6
93.07054	7.3
95.08607	16.9
97.06496	1.9
97.10168	3.7
98.98464	4.8
104.10745	26.7
105.07027	3.5
105.10455	1.1
105.11086	7.3
106.05000	1.7
106.11206	1.3
107.08595	4.2
109.10142	8.6
111.08107	0.7
117.32446	0.7
119.08563	2.0
121.10133	2.5
123.08034	0.9
123.11706	3.1
125.00009	9.5
125.09665	0.7
126.00325	1.1
127.00436	2.1
133.10136	3.0
134.22838	0.7
135.11703	2.4
137.13298	1.4
147.11691	1.6
149.13199	0.8
155.01054	1.2
173.02110	0.9
184.07355	24.6
185.07706	9.4
186.07779	7.6
245.22636	1.7
263.23779	2.0
271.12372	0.7
337.27374	100.0
338.27698	1.9
350.26791	1.8
504.33920	3.2
522.34503	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	521.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.7
55.01871	3.7
55.05512	41.9
55.46187	1.8
57.03444	17.4
57.07081	24.0
59.04994	1.8
62.49118	2.2
65.03941	2.8
67.05511	28.8
69.03413	3.0
69.06732	2.9
69.07073	40.2
69.83652	2.0
71.04955	2.7
71.08637	15.5
78.86716	2.2
79.05491	25.7
79.29607	1.9
81.03423	94.9
81.07061	33.5
83.04971	8.5
83.08621	40.6
85.06514	1.9
85.10186	6.5
91.05487	25.5
93.07043	21.5
95.04967	23.8
95.08620	27.6
97.02892	3.2
97.06540	7.2
97.10181	26.6
99.04464	2.3
105.07030	23.0
106.07361	2.1
107.04961	10.5
107.08617	15.5
109.06523	5.3
109.10155	10.5
111.08079	7.2
111.11702	5.9
117.07013	4.8
119.08592	23.2
120.08911	2.9
121.06550	5.1
121.10178	17.6
123.04437	2.8
123.08102	3.7
123.11678	4.4
125.05978	2.2
125.09666	2.4
125.13286	2.0
129.06990	10.5
131.08600	13.5
133.06482	4.7
133.10129	10.7
135.08075	3.8
135.11717	13.3
137.09581	2.2
142.07829	2.3
143.08527	3.5
145.10123	11.5
147.08032	4.8
147.11690	6.3
149.09621	5.2
149.13258	3.2
157.10175	12.1
159.11682	4.8
160.12122	2.2
163.11195	14.2
165.09109	2.4
173.09604	2.7
173.13303	2.6
175.11163	9.7
181.12177	6.0
183.11688	2.8
184.07368	2.5
193.12259	53.7
194.12657	2.6
197.13203	3.1
198.13812	2.7
211.13280	6.1
221.15390	4.1
227.12766	24.8
237.22278	2.3
267.15942	100.0
311.25839	51.1
313.21365	2.0
341.23981	2.4
343.29501	2.1
358.52313	2.8
429.33588	3.9
441.29550	6.0
503.37408	22.3
521.36731	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	521.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75435	1.6
53.03931	7.2
55.01867	2.6
55.05511	41.2
57.03441	19.4
57.07074	26.9
65.03915	1.9
67.05506	30.9
69.03429	3.2
69.06684	2.6
69.07068	42.9
71.04977	3.1
71.08637	15.1
71.51414	2.7
79.05492	29.7
81.03420	94.2
81.06598	2.0
81.07059	39.8
83.04968	6.1
83.08618	42.6
85.02905	2.6
85.10188	8.9
90.77178	1.6
91.05482	23.7
93.07047	34.3
95.04973	27.8
95.08607	34.3
97.02888	2.7
97.06519	4.8
97.10165	20.1
98.50414	1.9
98.79407	1.6
104.16629	1.7
105.07041	18.5
107.04971	7.7
107.08590	22.5
109.06537	3.8
109.10172	11.5
111.04406	2.6
111.08073	7.4
111.11708	4.6
113.06068	1.9
117.07007	7.0
119.08593	16.5
121.06489	5.1
121.10146	11.9
123.04420	3.0
123.11702	3.9
125.09605	3.0
129.06993	9.4
131.08612	10.9
133.06505	3.1
133.10112	5.5
135.11681	23.6
142.07787	3.3
144.26682	1.6
145.10138	16.2
147.08064	2.6
147.11725	7.8
149.09584	5.0
157.10150	8.9
163.11208	31.2
165.12755	1.6
171.44272	1.6
175.11247	9.1
181.12245	7.1
184.07332	2.8
193.12248	57.9
197.77686	1.6
209.11681	2.8
211.13260	8.2
219.21042	2.0
221.30144	1.6
227.12788	64.5
237.22198	1.6
239.23621	3.7
249.14818	5.0
267.15915	100.0
268.16248	2.0
311.22159	3.3
311.25809	61.6
429.33521	5.0
503.37399	31.0
521.26001	2.5
521.38391	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.0
55.01872	3.1
55.05515	11.8
56.91349	0.8
57.03438	3.0
57.07084	24.7
59.04995	0.9
65.03947	1.5
67.05509	25.5
67.30966	0.6
69.03448	1.3
69.07070	11.4
69.70471	2.0
69.70876	4.2
71.04998	2.8
71.08633	15.7
73.02902	1.0
74.74742	0.8
75.26842	0.7
79.05502	25.5
81.03415	4.5
81.07066	29.5
83.04994	3.0
83.08630	16.2
85.06528	0.9
85.10197	8.4
91.05487	11.3
93.07055	30.3
93.07645	1.6
93.79488	0.9
95.04977	7.4
95.08619	46.2
97.02898	3.7
97.06522	3.5
97.10143	4.0
99.04460	2.9
105.04488	1.0
105.07046	7.0
107.04969	7.2
107.08602	22.2
109.06535	1.4
109.10165	9.5
109.10837	1.1
111.04449	1.7
111.08097	1.2
111.11703	1.6
117.07019	7.0
119.08600	7.8
121.06506	4.3
121.10155	10.6
123.11735	3.0
125.06029	2.1
125.09628	1.0
130.07814	2.0
131.08624	1.7
131.92099	0.8
133.10175	3.8
135.08080	1.8
135.11703	39.6
137.13228	0.9
143.08517	0.9
145.10135	24.7
147.11720	1.2
153.12700	1.1
157.97038	0.9
163.11189	49.0
173.09596	1.4
173.13214	0.9
175.11227	1.1
181.12253	13.2
184.07407	2.4
193.12421	2.1
209.11804	4.3
209.54709	0.8
217.11272	0.9
227.12801	100.0
228.13191	1.0
231.98854	0.8
239.23709	4.1
267.15927	1.7
311.25610	1.1
429.33594	1.6
503.37631	2.3
521.38422	65.7
522.38342	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.34
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
55.05493	1.0
56.05026	1.6
57.03422	0.4
58.06608	1.7
60.08167	16.8
64.02753	0.4
67.05510	2.9
69.07057	1.3
69.32282	3.0
71.07373	6.3
79.05494	0.9
81.07050	2.6
86.09708	48.3
91.05498	0.6
93.07030	0.7
95.08606	1.8
98.21549	0.8
98.98470	4.5
104.10745	100.0
125.00007	26.4
163.01595	0.6
184.07343	97.3
258.11066	1.6
277.86652	0.4
337.27271	1.1
384.72791	0.4
502.32922	7.8
520.33990	25.1
521.34271	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.9
55.01888	2.4
55.05516	14.5
57.03459	2.4
57.07082	29.3
65.03943	2.0
67.05511	32.6
69.03436	1.4
69.07072	12.0
71.04995	3.1
71.08636	17.3
71.51057	1.5
73.40048	1.1
79.05497	27.3
81.03418	4.7
81.07063	33.6
83.04998	4.8
83.08628	15.3
85.10200	8.0
86.09721	1.4
91.05486	15.8
93.07053	32.7
95.04971	8.1
95.08615	51.4
97.02941	3.4
97.06538	4.0
97.10204	4.1
99.04494	4.1
105.07040	10.6
107.04964	7.1
107.08601	25.4
109.06571	2.4
109.10158	9.0
111.04453	2.4
111.08070	1.6
117.07042	9.4
119.08593	11.1
120.31253	1.3
121.06507	6.4
121.10166	12.0
123.08046	1.6
123.11761	3.5
125.06040	2.6
125.13284	1.9
129.07034	2.3
130.07791	2.0
131.08632	2.3
133.10150	5.6
134.10504	1.5
135.08121	3.1
135.11696	37.7
137.13275	2.4
139.07555	1.9
143.08571	1.8
145.10136	24.6
147.08089	1.6
147.11765	1.5
149.09685	1.4
155.08612	1.4
157.10201	1.6
159.08090	1.4
159.11697	1.6
161.09579	1.2
163.11192	49.2
164.66800	1.0
165.09201	1.5
173.09703	2.8
181.12268	12.3
184.07404	4.5
197.09764	1.3
197.13283	1.2
209.11809	4.4
221.15398	2.1
222.15694	1.5
227.12796	100.0
228.13196	1.7
239.23834	4.0
248.14188	1.3
274.83865	1.3
297.37036	1.4
303.19693	2.8
304.20020	4.5
521.27155	2.5
521.38440	60.7
522.38831	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	520.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65648	0.2
56.05029	0.4
58.06602	0.4
60.08166	6.3
67.05486	0.2
69.94941	0.8
71.07375	3.2
81.07032	0.5
81.16336	0.2
86.09711	27.2
95.08614	0.3
98.20912	0.4
98.98468	3.9
104.10765	3.0
125.00011	20.8
184.07347	100.0
185.07654	0.4
404.26813	0.3
502.33435	1.2
502.39236	0.3
520.34253	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	520.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53053	0.6
69.40246	4.3
70.06601	4.6
72.08150	1.0
73.06551	1.6
84.04509	1.9
84.08141	2.5
86.09724	1.1
87.04482	10.1
89.06039	100.0
91.05478	0.6
91.07603	1.0
98.21516	0.9
107.07105	1.7
117.05513	0.6
117.09141	0.7
129.10275	0.7
131.07059	2.9
133.08615	57.7
136.07613	1.0
175.09692	1.8
177.11234	21.1
188.96463	0.6
200.15097	0.5
221.13826	4.2
257.68527	0.6
265.16507	1.5
265.64075	0.6
268.04694	0.6
283.17630	1.2
298.88419	0.7
310.16000	0.6
327.20230	1.1
400.47455	0.6
424.35797	0.6
459.27945	1.7
487.38116	0.6
503.30734	7.9
520.18024	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.3
55.01864	0.7
55.05276	0.7
55.05520	9.5
57.03439	7.4
57.07085	0.7
60.04514	0.8
60.08157	2.3
61.85294	0.6
63.39149	0.6
65.03928	1.4
67.05511	33.2
69.06728	0.8
69.07075	8.0
69.39157	4.5
71.07378	0.7
74.97099	0.6
79.05077	1.2
79.05502	16.3
81.06596	1.4
81.07068	26.7
83.05011	0.7
83.08615	2.6
86.09711	10.0
87.10054	3.5
88.03999	6.3
91.05485	9.3
92.65742	0.6
93.07056	19.1
95.04955	0.8
95.08614	20.8
97.06521	1.2
97.61714	0.6
98.20855	1.0
98.98466	6.2
105.07042	4.7
106.05049	1.3
107.08603	7.9
109.10159	8.9
111.08077	1.1
117.07005	1.0
119.08588	3.0
121.10155	5.9
123.08104	0.6
123.11716	2.8
125.00014	6.5
126.00336	1.3
127.00438	1.4
131.08577	2.1
131.09529	0.9
133.10141	1.7
135.11717	3.1
137.09590	0.6
145.10153	1.7
147.11739	1.3
149.13225	1.3
159.11694	1.2
161.13263	0.7
163.14838	1.1
173.01978	0.7
173.13309	0.9
184.07364	27.2
185.07719	8.3
185.23067	0.6
186.07808	7.0
231.45888	0.7
260.05341	0.7
261.22235	1.6
335.25830	100.0
336.26227	2.4
348.25323	1.8
520.32587	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.3
55.01879	8.5
55.05512	44.1
55.82935	2.3
57.03440	17.3
57.07073	12.9
57.85751	2.0
60.08155	7.3
65.03939	6.2
67.05508	100.0
69.03432	6.2
69.07071	37.5
69.77157	2.1
71.04996	9.1
71.07376	3.4
71.08613	3.7
71.51653	3.7
79.05498	60.8
81.03419	36.6
81.07060	98.0
83.04996	7.6
83.08627	31.4
85.06570	5.6
86.09709	23.0
91.05473	48.0
93.07051	55.0
93.07639	3.0
95.04977	29.1
95.08611	66.2
97.06569	11.0
97.10174	19.6
99.08115	2.8
104.10751	25.9
105.07037	40.7
106.57169	2.2
107.04970	13.7
107.08588	30.1
109.06517	6.0
109.10161	27.9
111.04541	2.5
111.08105	6.7
113.09648	3.6
117.07009	14.1
119.08595	30.6
121.06546	9.4
121.10143	26.7
121.10947	3.0
123.08105	7.1
123.11750	8.2
125.00048	16.0
125.09625	15.8
128.06216	3.2
129.07043	10.1
131.08560	25.5
133.06491	2.3
133.10135	20.6
134.25974	2.6
135.08096	6.2
135.11697	15.0
137.09665	6.4
137.13272	5.7
139.11142	3.0
143.08600	8.3
145.10158	18.9
146.98195	3.1
147.08096	5.1
147.11703	11.7
149.09659	8.1
149.13271	9.4
153.12802	3.4
157.10188	9.6
159.11729	12.4
161.09604	3.3
161.13260	10.7
163.11235	7.2
163.14890	2.8
165.12770	3.6
169.10257	6.2
171.11732	3.7
172.83487	2.0
173.13298	7.1
175.07616	2.8
175.11206	6.1
175.14914	6.2
177.09416	2.1
177.16399	3.0
181.10129	2.3
181.83009	2.4
184.07344	49.5
185.11736	2.5
185.13281	5.1
187.11366	2.5
187.14906	3.8
189.11261	8.9
189.16446	3.1
193.12271	17.8
195.11801	3.8
205.12276	3.5
209.13284	4.0
215.18063	2.9
217.19633	10.6
227.12819	12.0
235.20650	7.8
241.19618	2.7
250.43294	2.8
257.22635	5.2
259.20764	4.4
267.15942	29.6
275.20209	4.8
275.23834	10.2
289.21774	4.2
299.06448	5.5
301.18076	2.5
309.24231	25.9
329.25101	3.5
333.24274	3.4
363.25360	3.0
391.30276	3.3
409.31268	11.0
427.32034	36.1
445.33118	12.7
460.25385	3.2
465.83270	2.2
501.35709	61.8
513.80762	2.3
519.36938	80.9
520.34259	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	519.369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.9
55.01873	7.1
55.05517	42.0
57.03438	14.5
57.07084	12.0
65.03954	5.1
67.05512	89.6
68.05846	2.3
69.03431	4.5
69.07079	35.8
70.97038	4.3
71.05004	8.4
71.08630	3.8
79.05501	61.6
81.03429	34.5
81.07065	79.3
83.04980	10.4
83.08624	33.2
85.02908	2.6
85.06568	6.4
85.10218	3.3
86.09712	5.5
91.05481	55.3
92.55960	2.5
93.07051	65.3
95.04973	34.2
95.08616	59.2
97.05991	2.0
97.06524	13.1
97.10176	27.6
99.08086	4.0
99.45328	2.8
103.05485	3.0
104.10801	3.5
105.07043	36.0
107.04977	12.8
107.08613	32.2
109.06536	8.9
109.10171	28.9
111.08098	5.8
111.11681	2.8
111.40462	2.6
113.09642	3.3
117.07018	14.7
119.08595	33.4
121.06526	8.9
121.10163	29.8
123.08083	5.4
123.11722	12.0
125.09647	14.2
127.11256	3.2
129.07019	12.0
131.08580	25.8
132.11389	2.4
133.06532	2.6
133.10147	22.7
135.08087	8.7
135.11713	19.4
137.09607	3.9
137.13312	6.8
139.11195	2.7
141.07022	2.6
143.08578	9.6
145.10135	19.2
147.08072	6.5
147.11674	13.3
149.09653	5.1
149.13303	7.4
151.11223	3.6
157.10161	8.8
159.08121	2.6
159.11703	10.9
161.13275	12.0
163.11272	12.5
163.14822	2.9
164.50360	2.2
165.12813	2.7
167.05553	3.3
169.10243	4.4
171.11746	6.7
173.09698	4.1
173.13315	5.8
175.11237	7.5
175.14920	6.3
177.12801	2.4
184.07399	9.2
185.13260	5.2
187.14853	2.7
189.11259	12.9
193.12241	18.9
203.17986	2.6
205.12231	4.2
211.13405	2.4
213.14911	2.7
217.19456	13.1
227.12827	15.2
227.83318	2.7
235.20566	12.5
237.04486	2.6
249.69484	2.5
257.22772	5.1
259.20621	3.6
261.22098	2.6
267.15927	36.7
273.22189	3.1
275.20419	2.7
275.23859	8.8
277.21802	3.2
289.21619	6.1
301.18204	2.5
309.24304	29.5
329.24744	2.5
347.25998	3.0
409.30850	12.5
427.32227	34.4
445.33243	14.0
463.34125	2.9
501.35825	64.8
519.29779	5.6
519.36884	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.2
55.01878	8.3
55.05520	51.6
57.03443	13.5
57.07071	11.3
59.04998	2.7
65.03938	4.4
67.05509	95.4
69.03438	3.3
69.07076	33.9
70.10347	2.4
71.04995	8.2
71.08644	2.9
71.51110	3.0
72.60074	2.0
79.05500	54.7
81.03423	38.6
81.03865	3.0
81.07063	100.0
81.07534	5.2
83.04999	10.4
83.08630	35.3
85.06571	5.6
91.05479	50.9
91.06009	2.9
93.07050	52.4
95.04985	32.4
95.08612	56.4
97.02917	3.2
97.06561	9.2
97.10169	23.9
99.08125	7.4
105.07036	39.7
107.04962	13.5
107.08598	34.9
107.59940	2.2
109.02930	2.6
109.06540	7.3
109.10167	30.9
111.08104	8.9
112.72488	2.4
113.09664	2.5
115.05457	2.3
117.06992	13.3
119.08591	31.8
120.08958	2.4
121.06544	9.3
121.10140	30.5
121.10916	2.2
123.08112	6.0
123.11736	13.0
125.00038	2.4
125.09637	19.3
127.11201	3.6
129.07007	12.6
131.08577	20.2
133.06491	2.5
133.10141	22.8
135.08047	5.8
135.11702	22.1
137.09644	3.5
137.13315	4.9
143.08598	9.6
145.10156	23.4
147.08099	4.9
147.11726	16.7
149.09683	6.8
149.13301	12.2
157.10201	9.6
159.11775	10.2
161.13319	8.5
163.11212	12.0
163.14873	3.9
165.12830	4.0
169.10165	3.5
171.11722	8.1
173.13289	3.5
175.11256	3.5
175.14848	7.2
177.16399	3.4
177.31297	2.3
183.11835	3.4
184.07426	8.8
185.13362	3.8
189.11284	6.4
189.16493	4.0
193.12274	20.1
197.13417	2.9
199.14909	3.0
209.11786	3.4
213.14871	5.3
217.19577	8.6
223.13165	3.7
227.12697	14.1
235.20557	11.6
249.14792	3.1
259.20636	5.3
267.15897	29.0
275.20609	2.9
275.23651	11.9
289.21780	3.9
309.24283	24.7
331.26773	2.5
333.24460	3.2
375.21878	3.1
391.30164	2.7
399.32614	2.6
401.51547	2.3
409.31250	11.9
427.32080	28.4
445.33298	9.0
475.34024	2.7
483.35876	3.0
483.52148	2.6
501.35736	62.3
502.36292	2.5
519.36908	84.4
520.37012	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	519.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83229	0.5
51.02375	0.7
51.28267	0.5
53.03951	2.5
55.01879	6.5
55.05516	27.3
56.16055	0.5
57.03431	2.4
57.07086	9.1
65.03942	0.9
67.05509	17.6
69.03423	1.6
69.07074	25.6
69.65279	3.2
71.04982	2.3
71.08643	4.0
73.02889	0.9
79.05500	25.3
81.03413	1.7
81.07064	19.9
83.04982	3.0
83.08624	24.2
85.06523	0.8
85.10179	2.1
91.05478	8.4
93.07052	33.7
95.04974	5.5
95.08614	34.0
96.20531	0.5
97.02885	3.2
97.06544	3.9
97.10180	12.0
98.20738	0.6
99.04448	3.8
105.04502	0.7
105.07045	7.8
107.04956	6.9
107.08606	22.9
109.06513	1.5
109.10152	3.2
111.04444	1.2
111.08081	1.6
111.11721	3.7
113.06001	1.0
115.05391	0.6
117.07034	8.1
119.08587	8.3
120.25627	0.6
121.06504	5.6
121.09322	1.0
121.10152	12.8
123.11758	0.8
125.06010	2.6
125.13239	0.5
130.07768	1.7
131.08623	0.8
133.06538	0.6
133.10141	3.1
135.08073	1.9
135.11703	41.4
137.13240	0.5
139.07533	1.7
139.11136	0.5
139.14909	0.6
143.08537	1.5
145.10139	23.6
149.13277	0.6
153.12671	0.6
157.92117	0.5
163.11195	53.6
167.05554	0.6
173.09750	0.5
181.12245	12.9
209.11708	2.3
219.21144	1.1
227.12801	100.0
228.13150	1.3
235.68463	0.5
237.22128	11.9
366.36264	0.5
409.57770	0.5
411.80420	0.6
427.28406	0.8
440.29153	1.8
519.23871	2.6
519.36780	71.3
520.36469	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	519.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08344	3.9
53.03943	12.3
55.01878	8.2
55.05514	27.2
55.06968	3.8
57.03435	10.3
57.07065	5.7
61.02946	6.0
63.26701	4.0
65.03946	4.8
67.05512	34.9
68.99786	9.6
69.03440	56.6
69.07064	39.9
70.44156	4.5
71.05006	23.7
71.32378	3.7
71.50732	6.7
79.05510	38.4
81.03423	33.8
81.07063	100.0
83.04993	10.9
83.08634	17.1
84.08173	6.0
85.02910	52.3
87.00835	26.6
91.05485	38.5
93.07053	58.8
95.04970	17.2
95.08620	82.2
97.02895	27.2
97.06516	5.6
97.10194	10.0
99.04468	9.6
99.08079	5.1
103.03979	5.0
105.01867	11.8
105.07046	76.3
107.08610	65.4
109.02898	17.2
109.06535	13.1
109.10163	76.1
111.04454	20.5
111.11703	4.5
115.03955	9.1
117.01882	4.4
117.07027	19.1
119.08597	85.8
121.06509	10.7
121.10146	49.3
123.04450	5.2
123.08116	7.1
123.11706	19.8
125.09633	7.3
127.03925	17.0
127.11175	20.2
129.01830	7.4
129.05470	6.9
129.06990	12.3
131.08597	39.9
133.06458	6.6
133.10143	56.3
135.08078	7.3
135.11658	29.7
137.06020	8.3
137.09657	7.6
137.13275	10.3
141.07039	5.2
142.07805	12.2
143.08582	30.3
145.10127	61.9
147.02881	5.8
147.08072	6.6
147.11714	40.0
149.09645	9.2
149.13300	22.9
155.08592	14.5
156.09392	7.2
157.10126	38.5
159.02890	8.0
159.08064	8.5
159.11710	66.7
161.09637	5.2
161.13216	23.4
163.11252	6.9
163.14737	23.1
167.08540	5.4
169.10150	27.3
171.08125	4.1
171.11749	35.5
173.09669	7.8
173.13234	33.3
175.11313	6.9
175.14850	17.0
177.16460	11.5
179.08585	5.7
181.10164	7.2
183.11732	21.5
185.09680	7.8
185.13292	26.1
187.14784	26.3
189.04059	6.8
189.12813	5.7
189.16399	18.6
195.11723	12.7
197.13293	16.3
199.14839	20.7
201.04008	14.0
201.12721	7.4
201.16357	30.5
207.11703	6.9
209.13287	15.8
211.14830	15.6
213.12770	5.1
213.16360	33.8
215.14325	4.5
215.17973	20.0
217.19492	4.7
223.14833	11.1
225.16412	19.7
227.14400	4.6
227.17990	17.0
231.04898	7.6
237.16403	6.8
239.17931	10.3
241.19566	7.1
255.21080	10.2
257.22742	7.7
267.21124	7.1
269.22672	22.0
271.24191	9.4
281.22708	12.2
283.24216	17.2
287.23676	5.9
293.18979	10.4
293.22220	6.0
299.23657	14.2
301.25278	4.9
311.23694	8.0
313.25403	6.6
325.25018	5.8
329.24835	7.7
361.25189	7.7
379.26318	20.8
397.27438	18.7
415.28503	10.6
483.27335	15.1
501.28476	29.5
519.29639	88.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08344	3.9
53.03943	12.3
55.01878	8.2
55.05514	27.2
55.06968	3.8
57.03435	10.3
57.07065	5.7
61.02946	6.0
63.26701	4.0
65.03946	4.8
67.05512	34.9
68.99786	9.6
69.03440	56.6
69.07064	39.9
70.44156	4.5
71.05006	23.7
71.32378	3.7
71.50732	6.7
79.05510	38.4
81.03423	33.8
81.07063	100.0
83.04993	10.9
83.08634	17.1
84.08173	6.0
85.02910	52.3
87.00835	26.6
91.05485	38.5
93.07053	58.8
95.04970	17.2
95.08620	82.2
97.02895	27.2
97.06516	5.6
97.10194	10.0
99.04468	9.6
99.08079	5.1
103.03979	5.0
105.01867	11.8
105.07046	76.3
107.08610	65.4
109.02898	17.2
109.06535	13.1
109.10163	76.1
111.04454	20.5
111.11703	4.5
115.03955	9.1
117.01882	4.4
117.07027	19.1
119.08597	85.8
121.06509	10.7
121.10146	49.3
123.04450	5.2
123.08116	7.1
123.11706	19.8
125.09633	7.3
127.03925	17.0
127.11175	20.2
129.01830	7.4
129.05470	6.9
129.06990	12.3
131.08597	39.9
133.06458	6.6
133.10143	56.3
135.08078	7.3
135.11658	29.7
137.06020	8.3
137.09657	7.6
137.13275	10.3
141.07039	5.2
142.07805	12.2
143.08582	30.3
145.10127	61.9
147.02881	5.8
147.08072	6.6
147.11714	40.0
149.09645	9.2
149.13300	22.9
155.08592	14.5
156.09392	7.2
157.10126	38.5
159.02890	8.0
159.08064	8.5
159.11710	66.7
161.09637	5.2
161.13216	23.4
163.11252	6.9
163.14737	23.1
167.08540	5.4
169.10150	27.3
171.08125	4.1
171.11749	35.5
173.09669	7.8
173.13234	33.3
175.11313	6.9
175.14850	17.0
177.16460	11.5
179.08585	5.7
181.10164	7.2
183.11732	21.5
185.09680	7.8
185.13292	26.1
187.14784	26.3
189.04059	6.8
189.12813	5.7
189.16399	18.6
195.11723	12.7
197.13293	16.3
199.14839	20.7
201.04008	14.0
201.12721	7.4
201.16357	30.5
207.11703	6.9
209.13287	15.8
211.14830	15.6
213.12770	5.1
213.16360	33.8
215.14325	4.5
215.17973	20.0
217.19492	4.7
223.14833	11.1
225.16412	19.7
227.14400	4.6
227.17990	17.0
231.04898	7.6
237.16403	6.8
239.17931	10.3
241.19566	7.1
255.21080	10.2
257.22742	7.7
267.21124	7.1
269.22672	22.0
271.24191	9.4
281.22708	12.2
283.24216	17.2
287.23676	5.9
293.18979	10.4
293.22220	6.0
299.23657	14.2
301.25278	4.9
311.23694	8.0
313.25403	6.6
325.25018	5.8
329.24835	7.7
361.25189	7.7
379.26318	20.8
397.27438	18.7
415.28503	10.6
483.27335	15.1
501.28476	29.5
519.29639	88.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	11.5
55.01869	7.0
55.05505	22.4
57.03427	6.3
60.13044	4.4
66.18919	4.4
67.05510	39.0
69.03431	49.8
69.07048	25.1
70.00655	5.1
71.01345	4.9
79.05497	24.1
81.03423	31.6
81.07059	83.3
83.04969	9.7
83.08603	9.2
85.02908	57.9
87.00821	18.7
87.04494	5.8
91.05468	28.3
93.07054	50.0
95.04969	15.2
95.08606	73.2
97.02879	35.9
97.06545	7.6
97.10190	7.1
98.37263	4.4
99.04470	15.2
104.97187	4.3
105.01880	5.8
105.07040	67.7
107.08601	60.9
109.02852	7.5
109.06519	7.4
109.10159	69.6
111.08098	5.8
115.03909	20.1
117.07034	14.3
119.08595	88.2
121.06456	6.2
121.09331	8.4
121.10155	100.0
123.04446	5.3
123.08071	8.6
123.11716	23.7
127.03958	20.7
128.06200	6.4
129.07005	7.4
131.08588	32.9
133.10139	49.2
135.08003	13.7
135.11717	32.1
141.07108	5.6
142.07841	8.5
143.08533	21.5
145.05014	10.5
145.10124	50.6
147.08064	7.0
147.11687	34.7
149.13277	26.9
155.08542	13.4
156.09389	8.5
157.10120	24.1
159.11713	59.3
161.13228	29.4
163.14810	21.5
169.10152	12.3
171.11696	29.0
173.09711	6.0
173.13303	33.8
175.14851	18.2
181.10168	8.5
183.11725	13.7
185.13301	21.3
187.14841	22.7
189.03958	9.3
189.16385	13.2
195.11757	5.8
197.13237	11.4
199.14828	20.3
201.03937	8.5
201.16386	23.8
203.17909	10.0
209.13379	7.3
211.14732	10.6
213.16301	25.7
215.17957	21.2
223.14795	6.0
225.16438	11.5
227.17955	14.6
229.19539	11.9
231.04883	11.1
241.19534	14.8
243.21068	20.8
253.19511	9.7
255.21129	13.5
257.22681	10.7
269.22614	50.5
271.24228	45.1
281.22665	12.4
283.24240	17.1
295.24231	7.1
299.23755	6.6
319.04413	6.0
379.26328	18.1
397.27231	25.5
415.28186	9.3
464.02856	5.1
475.31366	6.3
501.28415	21.0
519.29395	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	11.1
55.01875	9.2
55.05509	27.7
57.07072	6.1
61.02929	4.9
63.15229	4.1
67.05512	58.1
68.99779	11.0
69.03436	59.9
69.07080	31.2
71.04995	6.2
71.32526	5.8
73.02927	11.9
78.02901	4.3
79.03745	4.3
79.05506	39.9
81.03422	38.9
81.07067	100.0
83.04977	6.9
83.08596	8.6
85.02914	54.7
87.00823	31.2
87.04478	6.1
91.05468	37.2
93.07054	72.7
95.04972	17.6
95.08611	85.5
97.02875	29.0
97.06544	6.4
97.10173	6.4
99.04430	10.2
103.03936	16.1
105.01864	12.2
105.07040	88.3
107.04940	7.8
107.08601	82.6
109.02871	15.3
109.06507	13.3
109.10167	86.4
111.04448	7.4
113.06030	4.8
115.03903	16.1
117.07024	20.6
119.08589	90.4
121.06508	8.4
121.10153	73.2
123.04500	5.5
123.08073	7.7
123.11742	24.9
125.06000	6.1
127.03877	24.5
129.01831	8.9
129.07011	9.1
131.08559	37.3
133.10152	50.1
135.08047	5.5
135.11696	43.7
137.06001	5.2
137.13249	12.0
142.07793	9.7
143.08580	28.6
144.09241	5.3
145.04933	6.3
145.10138	61.2
147.08055	7.9
147.11693	54.4
149.13281	37.7
155.08545	9.6
157.10124	44.7
159.02930	8.2
159.08130	5.5
159.11697	64.1
161.09608	7.7
161.13261	39.9
163.14809	22.1
167.05568	6.4
167.08595	5.5
169.10136	13.4
171.02794	6.1
171.11665	28.3
173.09689	5.4
173.13272	38.4
175.14839	20.9
177.12753	5.5
177.16290	12.1
181.10107	9.9
183.11699	17.1
185.13191	22.6
187.14806	30.6
189.03960	12.2
189.16403	15.8
191.17960	4.8
195.11752	8.1
197.13258	11.0
199.14780	28.8
201.16446	31.8
203.17963	7.0
207.11623	4.7
209.13304	7.6
211.14812	15.7
213.12833	4.8
213.16408	37.6
215.14326	4.3
215.17973	22.1
217.19481	7.3
225.16431	13.2
227.17892	16.0
229.19542	10.7
231.05049	9.7
237.16403	9.7
241.19408	9.1
243.21037	17.8
253.19543	6.4
255.21126	14.4
257.22702	24.5
265.19568	6.0
269.14908	4.6
269.22632	59.0
271.24176	24.7
281.22592	17.0
282.60117	4.6
283.24249	23.7
293.22592	6.2
295.24173	8.7
299.23657	9.1
311.23834	5.7
313.25348	8.0
325.25180	7.2
361.25287	11.1
379.26331	19.7
397.27228	18.2
409.18280	5.5
415.28510	6.6
429.98901	5.1
483.27316	11.1
501.28354	28.8
519.29669	92.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.7
55.05509	29.9
57.03428	12.7
59.05001	8.5
64.50420	4.5
65.03937	7.7
67.05511	32.4
69.07060	19.5
70.06586	17.2
71.04980	11.3
75.04464	10.9
79.05501	31.7
81.03396	6.7
81.07060	100.0
83.04980	12.0
83.08614	10.6
84.08131	6.8
85.02905	7.0
85.06537	8.7
87.04468	13.3
87.33649	4.4
91.05472	33.3
93.07053	67.8
93.40112	4.6
95.05001	7.9
95.08606	68.8
97.06556	5.5
98.21600	9.2
99.08085	11.5
105.07041	52.1
107.08610	58.2
109.10177	30.3
113.06013	6.4
113.09686	8.8
119.08585	45.7
119.99982	4.9
121.06574	6.8
121.10150	57.6
123.08101	13.0
123.11674	7.7
127.03962	6.2
131.07098	5.9
131.08566	11.8
133.10110	22.6
135.11681	29.8
141.09123	28.0
145.10114	14.1
147.11722	24.6
148.11966	5.7
149.09608	15.6
149.13280	55.3
157.08640	12.9
157.10110	10.1
159.10170	22.7
159.11710	18.0
161.09709	6.9
161.13313	12.3
163.14871	14.9
171.11632	8.3
173.13222	8.6
175.11102	5.9
175.14787	6.3
187.14771	7.2
191.17926	12.0
197.13222	5.8
199.14771	8.3
201.16394	11.1
202.59874	5.1
203.17990	33.2
211.14832	6.9
215.18001	5.6
215.71091	5.4
217.19542	10.8
225.16417	4.9
227.17964	13.3
229.19528	11.6
285.22305	6.5
321.24335	6.9
476.46799	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	518.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33487	0.2
52.79212	0.2
55.05509	0.6
56.05041	1.9
56.58314	0.2
57.03443	0.3
58.06575	1.4
60.08169	17.3
65.03936	0.5
67.05514	2.6
69.07068	0.7
70.06579	0.3
71.07381	7.5
71.29353	0.3
79.05502	1.8
81.07069	2.2
83.08620	0.2
86.09712	53.9
87.10027	0.4
91.05492	1.0
93.07050	1.6
95.08616	1.6
98.98478	4.3
104.10752	96.3
105.07040	0.8
105.11054	0.5
107.08595	0.7
109.10168	0.6
119.08620	0.4
121.10189	0.7
123.97005	0.2
124.24563	0.2
125.00014	32.0
125.43047	0.2
135.11743	0.2
143.01102	0.3
149.82657	0.2
151.38545	0.2
163.01611	0.5
181.02621	0.3
184.07353	100.0
185.07739	0.6
258.11142	1.1
335.25873	0.7
354.01102	0.2
441.24286	0.4
500.31360	7.3
501.31400	0.3
518.32477	19.6
519.33392	0.5
521.52411	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14776	0.1
55.05511	0.2
56.05036	0.6
57.03437	0.2
58.06641	0.4
59.07402	0.2
60.08165	6.6
67.05504	0.7
69.00031	0.1
69.07066	0.1
70.06565	0.1
70.10668	0.3
70.11011	0.1
70.78954	0.1
71.07375	3.6
73.15026	0.1
79.05492	0.4
81.07052	0.5
84.21309	0.1
86.09708	32.5
87.10028	0.1
91.05481	0.2
93.07050	0.3
95.08600	0.3
98.98466	3.8
104.10048	0.2
104.10744	3.2
107.08620	0.1
109.10165	0.1
113.33685	0.1
125.00007	23.5
143.01100	0.1
166.06218	0.1
184.07344	100.0
185.07698	0.5
202.26550	0.1
258.11005	0.2
270.02191	0.1
335.25812	0.2
500.31378	0.8
518.32440	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	518.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
55.01846	1.3
55.05501	0.8
55.89936	0.5
56.05022	0.5
60.04526	1.3
64.34621	0.5
65.03930	1.3
67.05500	2.2
68.05013	0.9
69.03424	3.1
69.07072	0.6
70.06599	4.9
71.04999	0.7
71.49483	0.5
71.49891	0.7
72.08158	3.5
79.05504	5.3
81.03426	8.1
83.04966	0.5
84.04508	2.5
84.08150	3.0
85.02905	2.8
86.09715	10.0
87.05595	0.7
91.05489	9.6
94.06552	3.1
94.16165	0.5
95.04989	4.7
96.04475	1.2
97.02902	1.5
98.06044	1.4
98.20976	0.5
99.04469	0.7
102.05501	0.6
105.04483	0.7
105.07053	5.0
106.04198	0.5
107.04955	2.3
107.08609	24.2
109.02885	4.0
109.06518	2.1
110.06050	0.9
112.03246	0.8
112.03976	11.0
112.07612	1.5
114.05548	4.0
115.05460	7.7
117.07030	8.5
119.06057	1.2
119.08627	0.6
120.08110	1.1
122.06045	3.7
123.04433	5.7
127.03931	1.0
129.10251	1.4
135.08064	100.0
136.08383	0.8
140.05968	0.9
140.07076	19.0
141.05450	1.0
143.11801	1.4
148.06047	1.6
158.08136	16.9
163.07556	47.9
171.11342	0.7
173.12880	3.5
176.09195	24.2
181.08606	21.3
199.09662	1.5
201.12318	1.5
218.10318	0.6
225.80804	0.6
248.09261	0.8
258.14508	1.5
263.59210	0.5
266.10269	1.2
272.16330	0.7
325.12869	8.6
343.13965	8.3
464.19025	0.8
472.20105	0.5
482.20456	0.7
500.21332	2.1
518.22437	17.9
518.30640	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3891
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03949	3.2
55.01878	2.6
55.05271	2.0
55.05516	23.3
57.03431	7.9
57.07072	2.9
65.03951	2.1
67.05508	48.1
69.07070	22.7
71.05010	2.4
79.05496	35.3
81.03432	4.0
81.07059	52.0
83.04987	2.7
83.08626	11.0
85.06567	2.3
91.05484	30.0
91.06023	1.9
93.07048	43.9
95.04996	4.8
95.08609	35.6
97.06508	5.4
97.10161	9.1
99.08105	1.7
100.01737	1.1
105.04523	1.4
105.07034	34.3
107.08598	24.9
109.06548	2.9
109.10162	16.5
111.08111	2.7
111.11756	1.3
113.00056	2.0
115.05461	1.8
117.07020	11.3
119.08588	33.3
121.06557	1.8
121.10151	22.8
123.08130	2.1
123.11709	5.8
125.09664	4.4
129.07062	6.0
131.08574	25.5
133.10127	28.2
135.08072	2.5
135.11690	15.2
137.09636	1.4
139.11200	1.4
142.07828	1.7
143.08575	9.4
144.09428	1.3
144.44322	1.1
145.10135	20.9
147.08147	1.5
147.11690	18.0
149.09660	2.3
149.13252	9.0
151.11205	2.3
153.09183	1.1
155.08629	2.7
157.10158	5.0
159.11693	17.7
161.13281	11.2
163.11209	1.8
163.14886	4.6
165.12811	1.5
169.10165	3.8
171.11671	7.7
173.13260	13.8
175.14803	7.3
177.12808	1.3
183.11705	3.1
185.13200	5.3
187.14783	5.9
189.11246	1.3
189.16451	3.1
197.13306	3.3
199.14897	4.3
201.16452	3.7
203.14351	1.2
211.14915	3.6
213.14717	1.4
213.16499	3.0
215.18063	3.4
221.15477	1.2
227.12865	2.2
227.18202	1.8
233.19089	3.0
241.18027	3.8
243.21262	1.4
245.19145	1.3
255.21260	1.5
259.20712	5.0
267.16129	1.8
273.22250	3.4
275.20325	1.3
289.21906	1.4
299.23752	3.5
301.21918	1.9
303.23401	1.7
313.21790	1.3
313.25323	1.9
315.23083	2.0
327.26932	2.2
331.26715	2.0
333.24478	2.0
390.81796	1.2
391.28748	1.8
405.30301	3.3
407.33292	5.0
425.34412	13.9
443.35602	7.3
461.36722	1.6
481.37332	1.8
499.38373	17.7
517.31769	9.5
517.39038	100.0
518.39465	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	517.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.1
55.01871	3.9
55.05513	24.0
57.03445	10.7
57.07078	3.5
65.03941	3.3
67.05507	55.8
69.03423	3.5
69.06728	2.1
69.07073	23.5
71.04991	3.2
79.05496	40.2
81.03430	8.1
81.06592	2.8
81.07063	56.8
83.04979	4.5
83.08626	15.5
85.06565	4.2
91.05483	39.5
93.07047	48.8
95.04993	10.2
95.08611	45.7
97.06548	7.7
97.10171	8.3
98.21523	3.5
99.08098	3.1
105.04521	1.4
105.07033	41.2
107.05000	1.7
107.08590	36.7
109.06500	2.5
109.10162	21.8
109.50166	1.4
111.08067	2.6
111.11732	1.4
113.00021	6.3
115.05417	1.7
117.07030	13.9
119.08592	38.6
121.06484	2.4
121.10141	19.2
123.08071	5.7
123.11723	8.0
125.09627	6.1
129.07005	9.9
131.08566	27.9
133.06589	1.7
133.10138	32.0
134.10486	2.4
135.08075	5.7
135.11688	15.9
137.09630	3.0
141.06879	1.8
143.08571	11.1
145.10126	26.1
147.08046	2.3
147.11697	22.0
149.09639	4.0
149.13269	11.1
155.08492	4.1
157.10136	12.5
159.11699	19.6
159.83789	1.5
161.09612	2.2
161.13251	11.5
163.11165	3.5
163.14850	2.0
165.12776	2.1
167.08641	1.7
169.10165	4.8
171.11713	9.6
173.13229	13.0
175.14838	6.9
177.12830	2.0
179.14270	3.4
181.10059	1.5
183.11719	5.2
185.13234	9.3
187.11243	1.8
187.14882	8.0
189.11234	4.4
189.12799	1.6
189.16380	3.1
191.14371	1.4
193.12317	3.2
197.13373	2.5
199.14949	6.6
201.16475	3.1
209.13283	1.6
211.14803	2.8
213.16429	3.3
215.17976	4.2
225.16473	2.1
227.12819	4.1
233.19025	5.2
241.18013	4.4
245.19106	2.8
251.20142	1.7
253.17764	1.6
255.21167	2.2
257.19122	2.0
259.20734	4.1
263.20047	2.4
267.15915	3.3
273.22180	7.3
275.19876	2.7
277.21899	1.8
285.22122	1.6
287.23660	2.4
299.23856	1.6
301.25366	2.0
303.23117	1.6
307.22693	2.7
313.25250	2.0
331.26334	4.5
333.24304	2.2
345.58740	1.6
347.25681	2.2
367.26459	2.2
387.28802	1.4
405.29901	6.3
407.28748	2.8
407.33197	4.3
425.34793	13.6
428.91116	1.4
443.35962	7.6
461.36148	2.8
499.37463	19.1
517.39331	100.0
518.39337	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	517.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.3
55.01866	10.3
55.05515	41.6
57.03436	10.7
57.07087	7.4
57.17619	3.8
62.25773	3.1
63.41865	3.6
67.05179	5.7
67.05509	72.5
69.03431	5.0
69.07068	22.4
69.11835	3.1
71.04980	7.1
78.30273	3.2
79.05496	73.3
81.03430	24.2
81.07062	66.1
83.04977	10.1
83.08614	32.4
85.06540	7.7
88.72003	3.4
91.05487	47.8
93.07055	61.3
95.04981	25.4
95.08069	4.3
95.08625	47.5
97.06554	8.1
97.10166	28.9
99.08120	4.7
105.07044	46.5
107.04958	8.9
107.08601	41.7
109.06520	9.8
109.10161	28.7
111.83672	3.2
112.73736	3.2
113.00028	9.4
115.05453	3.8
117.07031	24.3
119.08585	38.2
121.06551	15.6
121.10160	30.6
123.08115	7.9
123.11767	9.0
123.38347	3.8
125.09668	17.9
128.06250	4.2
129.07042	11.2
131.08577	32.8
133.10130	23.4
135.08025	13.0
135.11673	23.3
137.09618	4.5
140.14119	3.2
141.06975	5.2
143.08588	14.4
145.06531	6.2
145.10115	20.8
147.04341	5.8
147.08102	6.8
147.11658	20.8
149.09602	7.2
149.13225	8.0
155.08611	5.1
157.10130	14.9
159.08092	3.8
159.11736	17.2
161.09671	3.8
161.13275	14.0
161.90291	3.9
163.11183	8.7
169.10150	6.9
171.11684	10.4
173.11885	3.7
173.13286	13.2
175.14795	6.5
177.12746	5.4
179.14320	4.4
181.10236	4.7
183.11723	4.3
184.26169	3.6
185.13255	9.7
187.11171	3.4
187.14862	6.7
189.11234	11.4
193.12315	10.1
197.13298	3.6
201.12651	4.7
205.15919	3.4
211.14818	7.0
215.17972	17.5
227.12726	17.7
233.18985	22.5
257.18985	6.4
267.15921	22.3
273.19437	4.6
273.21994	21.6
274.15436	3.3
275.20093	5.0
282.51843	3.6
287.20114	3.9
307.22748	16.8
321.20752	3.7
337.25870	3.6
375.44412	4.1
389.28500	5.3
405.30319	4.4
407.29608	15.6
425.30463	14.4
443.31717	14.6
466.68295	3.7
499.34262	59.3
517.22821	24.3
517.35107	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
55.05510	15.5
57.07074	1.8
64.35276	1.9
65.03931	5.0
67.05509	72.9
69.07076	14.7
71.04963	2.9
71.50905	2.3
79.05499	25.5
80.05396	2.4
81.07062	86.6
83.08613	15.9
83.90173	1.8
85.06534	2.5
85.10178	3.5
91.05493	36.4
93.07055	29.9
95.04955	2.2
95.08613	77.5
97.06516	7.0
97.10194	8.4
105.07021	14.2
107.08599	20.4
109.10162	41.9
111.08047	5.0
113.00076	1.7
117.06963	2.9
119.04949	31.6
119.08596	17.5
121.10152	29.8
123.08087	3.0
123.11713	22.3
131.08583	8.3
133.10132	32.0
135.08124	1.9
135.11691	28.9
137.09650	10.2
137.13245	7.5
144.61615	1.8
145.10139	9.8
147.04413	100.0
147.11699	9.1
149.09616	1.8
149.13293	14.3
151.11208	15.9
155.10632	3.3
159.11748	8.3
165.05472	16.2
165.12778	2.8
169.12230	3.9
173.13187	5.2
177.12773	3.1
181.12236	3.8
187.14766	4.1
191.17889	2.1
195.13797	5.1
215.17960	45.7
233.19025	33.8
251.20108	40.7
269.21072	1.9
284.45621	2.0
335.29312	3.0
373.62549	2.2
517.39423	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	517.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.9
55.01869	2.0
55.05518	58.5
57.07073	3.3
58.58452	1.7
65.03964	1.7
67.05508	20.2
67.72937	1.8
69.06791	1.6
69.07076	18.0
69.36691	1.6
79.05505	10.5
81.03421	2.2
81.07060	22.1
83.08154	3.3
83.08628	53.3
89.06022	3.4
91.05487	19.4
93.07053	10.7
95.04936	2.6
95.08614	21.3
97.06551	4.1
97.10181	14.5
99.08083	3.1
103.52452	1.7
105.07048	10.7
107.08618	10.4
109.10168	10.2
111.11716	5.6
113.00016	3.4
117.07017	3.8
119.04948	21.6
119.08577	10.2
121.10144	12.1
123.11754	4.6
125.09661	3.2
131.08594	2.9
133.10127	6.9
135.11691	9.3
137.09627	3.3
139.11198	2.0
143.08556	2.1
145.10161	4.0
147.04424	100.0
147.11694	6.5
149.13254	2.0
151.11229	2.0
151.14857	2.1
153.12761	2.6
161.13260	3.3
165.05516	5.2
165.12819	1.7
169.10045	2.1
175.14812	4.9
179.14268	2.7
191.17899	1.8
193.19585	2.2
217.19604	14.4
233.19077	2.8
235.20587	15.6
253.21640	10.9
499.34131	6.7
517.34900	13.8
526.76001	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20870	0.9
53.03944	3.2
55.01873	3.5
55.05274	1.1
55.05517	16.8
55.99068	0.8
57.03442	4.6
57.07080	2.9
64.45255	0.7
65.03938	3.5
67.05511	57.2
69.03418	2.3
69.07076	12.3
69.14705	8.8
71.05000	3.0
71.08633	1.5
71.65170	0.8
73.02911	0.8
73.99665	0.8
77.03953	1.1
79.05500	40.9
81.03420	2.5
81.07064	62.3
83.04987	4.3
83.08630	12.9
85.06563	1.4
85.10212	1.4
91.05491	21.8
93.07050	46.0
95.04976	9.2
95.08615	52.2
97.02916	3.0
97.06544	4.6
97.10185	2.3
99.04462	3.5
99.08089	4.3
105.07043	16.3
107.04964	8.0
107.07879	1.6
107.08599	28.6
109.06523	3.7
109.10168	8.4
111.08085	2.1
113.00050	1.2
113.06054	0.9
113.09625	1.2
117.07014	9.4
119.08592	13.5
121.06503	6.6
121.10160	13.5
122.81059	0.8
123.08102	1.7
123.11710	7.1
125.06032	1.9
125.09641	2.4
129.07076	1.1
130.07826	2.1
131.08592	2.0
133.10138	8.7
135.08086	1.7
135.11703	45.3
137.13277	2.1
139.07573	1.2
139.11154	0.8
143.08524	1.8
145.10141	25.6
147.11725	3.5
149.13283	1.7
151.11252	1.2
153.12840	1.9
161.13226	1.2
163.11197	55.9
164.11432	0.8
175.14871	0.9
181.12270	12.5
193.12244	1.3
209.11792	2.3
217.19508	4.3
227.12802	100.0
235.20567	2.5
283.15573	3.5
331.26447	1.1
499.34467	2.0
504.37598	0.9
517.35260	49.8
518.35315	1.4
529.56818	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04923	2.3
53.03943	3.4
55.01855	6.4
55.05268	3.5
55.05510	36.8
57.03438	8.1
57.07080	3.7
58.44744	1.9
65.03929	4.6
67.05510	61.1
69.03424	2.8
69.07081	17.0
70.94733	3.0
71.04997	4.5
74.22594	2.0
79.05495	52.4
81.03430	20.2
81.07062	56.8
83.04989	4.7
83.08621	19.9
85.06525	3.5
91.05485	39.9
93.07046	46.6
93.48132	1.9
95.04971	15.9
95.08620	29.8
95.20273	1.9
97.06518	6.5
97.10175	20.4
97.87360	2.2
99.08088	3.0
100.35443	2.1
102.80840	2.0
105.07043	31.8
107.04961	8.1
107.08607	28.0
109.06508	6.9
109.10167	21.6
111.08083	6.0
112.99989	4.5
117.07024	14.6
119.08603	27.4
121.06521	11.1
121.10146	19.3
123.08060	8.9
123.11684	4.9
125.09631	19.8
129.05548	2.1
129.07001	10.4
131.08588	24.4
133.10144	23.8
133.90742	2.3
135.08067	8.2
135.11711	17.9
137.09584	2.2
143.08572	10.0
145.06396	2.2
145.10129	21.7
147.08046	6.4
147.11719	14.1
149.09621	6.0
149.13271	6.3
151.11195	2.2
155.08574	5.1
157.10150	12.3
159.08142	2.2
159.11710	17.7
161.09615	4.7
161.13272	9.4
163.11189	5.1
169.10138	6.8
171.10284	3.5
171.11717	8.2
173.09647	3.2
173.13309	13.2
175.07634	2.7
175.11125	4.5
175.14857	7.3
177.12775	4.7
181.10144	2.6
183.11711	4.0
184.07381	3.4
185.13251	7.7
187.11279	2.6
187.14856	3.0
189.11246	8.1
189.12791	3.8
193.12279	7.6
195.11763	3.3
197.13258	4.1
199.14836	2.4
203.14394	2.5
205.15840	2.6
205.19650	2.6
211.14836	2.8
215.18015	11.6
225.16455	2.2
226.05042	2.0
227.12759	13.1
233.19038	12.6
239.18027	2.5
243.17667	2.4
251.16371	2.6
255.21069	5.2
257.19089	5.7
267.15918	20.0
271.20584	4.1
273.22116	19.8
275.20038	3.7
278.83435	2.1
287.20224	3.9
301.18057	3.8
301.21280	2.5
307.22562	13.2
326.08685	2.5
331.22778	2.5
331.26431	3.2
389.28186	3.1
407.29529	13.6
425.30405	16.9
443.31564	9.9
452.11935	2.0
499.34207	57.9
517.35278	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.0
54.79382	2.7
55.01865	7.1
55.05276	2.8
55.05516	38.5
57.03444	11.7
57.07075	5.3
65.03937	2.6
67.05508	55.7
69.03452	2.8
69.07076	12.5
69.80605	9.9
71.04991	5.4
79.05502	48.3
79.05957	2.4
81.03425	18.9
81.06592	4.2
81.07065	59.6
83.04984	7.6
83.08624	18.5
85.06546	4.7
91.05489	39.1
93.07053	46.3
95.04970	19.3
95.08614	38.1
97.06548	5.4
97.10169	27.1
99.08089	5.3
105.07043	32.2
105.76933	2.3
107.04958	7.9
107.08601	28.7
109.06512	3.7
109.10181	25.8
111.08088	5.9
113.09657	2.7
115.05469	3.3
116.54066	2.3
117.07030	16.8
119.04948	2.4
119.06027	2.3
119.08591	22.9
120.73917	2.3
121.06540	7.3
121.10143	21.1
123.08121	4.5
123.11715	8.8
125.09641	20.2
128.06230	3.0
129.07019	13.2
131.08566	27.4
133.06520	4.8
133.10132	17.2
135.08043	6.8
135.11673	18.2
137.09554	3.2
137.13321	2.7
137.27997	2.2
143.08571	10.3
145.06488	5.6
145.10104	19.6
147.08081	7.4
147.11673	14.0
149.09631	8.6
149.13280	6.4
155.08530	4.6
157.10167	11.1
159.08049	4.6
159.11720	19.5
161.09642	2.3
161.13287	7.5
163.11171	6.0
169.10202	4.3
171.10329	2.7
171.11726	8.0
173.11934	2.3
173.13278	13.5
175.07564	3.7
175.11180	6.1
175.14824	8.3
177.12686	6.3
181.10136	3.2
183.11745	4.4
185.13293	7.3
187.11179	3.3
187.14845	5.4
189.11224	7.8
193.12256	6.5
197.13309	3.9
199.14774	2.8
201.12706	3.4
205.12270	3.6
209.13354	3.0
213.16466	2.6
215.18011	14.9
219.13757	2.8
227.12698	12.1
233.19044	13.7
239.18013	6.4
251.20070	4.2
255.21136	5.4
257.19110	5.9
267.15921	16.2
273.19028	2.9
273.22165	18.7
287.20184	4.2
299.20004	2.9
301.18048	2.7
307.22791	12.8
313.21622	3.2
331.22885	3.7
389.28400	3.1
405.26425	2.5
406.63718	2.3
407.24774	3.2
407.29575	12.0
425.30579	21.1
443.31592	12.2
499.34225	55.8
517.35278	100.0
537.30365	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	517.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82311	2.4
53.03943	8.0
55.01865	9.6
55.05511	42.0
57.03428	9.7
57.07076	6.0
65.03932	3.6
66.17368	2.8
67.05131	4.1
67.05505	83.7
69.03436	7.4
69.07057	23.0
70.88768	2.3
71.05001	6.9
71.50340	2.7
79.05495	62.8
81.03420	34.6
81.07058	71.0
81.07536	4.2
83.04988	8.0
83.08622	22.5
84.08147	2.3
85.02902	5.0
85.06565	4.7
85.22853	2.3
86.09692	2.5
87.04487	6.3
89.03959	2.7
91.05484	53.0
93.07040	53.5
94.47690	2.2
95.04963	25.8
95.08603	46.5
97.02898	3.3
97.06536	9.0
97.10168	23.7
98.98456	3.8
99.08142	4.4
104.07088	8.0
105.07033	43.1
107.04974	14.8
107.08593	36.0
109.02885	3.4
109.06516	8.1
109.10169	20.9
111.08082	5.1
113.09636	2.9
115.05418	4.7
116.07040	2.2
117.07030	21.4
119.08579	42.8
121.06535	9.8
121.10156	21.1
123.04439	4.0
123.08094	7.7
123.11710	9.6
125.09639	16.6
127.03912	15.7
128.06166	5.0
129.07031	13.8
131.05022	2.7
131.08572	28.8
133.10132	28.4
135.04465	6.4
135.08047	11.9
135.11722	19.0
137.09660	5.9
141.06998	4.0
142.07814	4.5
143.08562	12.3
144.86862	2.2
145.06483	4.5
145.10136	24.5
147.08032	5.8
147.11700	20.1
149.09633	11.8
149.13287	8.1
155.08539	5.2
157.10109	14.3
159.08167	6.0
159.11673	18.9
161.13284	7.1
163.03885	22.6
163.11201	7.3
163.14940	2.5
167.08594	3.1
169.10162	7.3
171.11707	7.6
173.02367	3.7
173.09709	4.6
173.13274	15.6
175.11198	6.5
175.14865	8.6
176.12004	3.0
177.12726	3.3
181.10179	5.7
183.11795	7.7
184.07310	11.6
185.13300	10.2
187.03891	3.1
187.11195	3.9
187.14880	5.5
187.51495	2.5
189.09247	2.2
189.11200	12.0
189.16447	3.6
191.14131	2.2
193.12312	9.9
195.11797	4.7
197.13345	4.5
199.04053	2.9
199.14793	5.0
205.12306	4.2
211.14867	5.3
213.05420	4.0
213.16553	5.0
215.18042	10.2
225.05530	5.3
225.16522	2.7
227.12665	12.2
227.18059	3.6
231.17386	3.1
233.18994	12.9
239.18134	4.9
255.21133	4.6
257.19058	7.5
261.18887	2.7
265.14349	5.5
267.15976	14.3
271.20685	3.1
273.19360	3.2
273.22183	17.8
283.15298	2.9
287.19989	3.2
307.22733	17.1
309.35501	2.7
319.88086	5.2
331.22705	5.4
337.14325	16.5
355.15567	6.0
397.31137	3.4
407.29556	10.2
425.30377	18.2
443.31683	11.5
481.32907	2.4
486.89725	3.2
499.34229	56.6
500.34717	3.2
517.20917	15.1
517.35345	100.0
518.35571	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	517.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22137	1.8
52.27570	1.8
53.03939	5.9
55.01863	7.1
55.05516	35.6
56.77694	1.7
57.03441	12.3
60.08154	7.5
65.03954	3.4
67.05512	67.1
69.03423	3.2
69.07082	20.1
70.55668	2.7
70.56014	4.2
71.04989	5.6
79.05498	52.9
81.03431	24.7
81.06587	3.8
81.07067	65.8
83.04991	7.7
83.08630	20.1
85.06548	3.4
85.95834	1.8
86.09721	20.6
87.25886	1.9
89.29636	2.1
91.05492	44.7
93.06498	3.1
93.07061	49.5
95.04976	20.7
95.08618	35.4
97.02913	1.7
97.06528	8.8
97.10180	26.2
98.98457	2.8
99.08104	4.0
103.05465	2.1
104.10760	34.8
105.07041	35.1
107.04955	7.3
107.08611	31.0
109.06533	7.3
109.10167	21.5
111.08102	5.7
117.07021	20.3
119.04929	2.7
119.08598	29.8
121.06541	9.7
121.10160	27.5
123.08076	5.0
123.11694	10.2
125.00021	12.4
125.09634	20.5
128.06252	3.7
129.07011	13.8
131.08575	27.5
133.06474	2.6
133.10132	22.2
135.08072	6.4
135.11707	17.8
137.09654	4.6
141.06996	3.1
143.08586	11.5
145.06502	6.1
145.10147	25.9
147.08058	4.1
147.11708	18.6
149.09636	8.6
149.13254	9.7
151.11159	2.7
155.08549	4.2
157.10149	12.1
159.08078	2.6
159.11691	20.2
161.09653	3.4
161.13274	9.8
163.11185	5.1
167.14275	2.0
169.10156	5.9
171.10297	4.7
171.11707	11.8
173.09682	2.7
173.13254	14.1
175.07590	2.3
175.11189	4.5
175.14868	6.6
177.12730	3.0
181.10164	4.1
183.11716	6.0
184.07359	33.3
185.13287	6.9
187.14925	3.2
189.09154	3.0
189.11267	10.3
189.12750	1.9
191.14316	4.7
193.12279	8.3
195.11641	4.2
197.13260	3.8
199.14911	3.2
201.16412	2.4
205.19580	2.6
209.13326	2.6
211.14790	2.7
213.12862	1.9
215.18002	10.8
223.15012	2.6
227.12776	14.0
233.15442	2.6
233.18993	12.5
239.18030	2.2
245.13921	2.2
247.17055	2.5
251.16313	2.1
251.20282	2.7
255.21118	3.4
257.19028	5.9
261.18542	2.1
267.15933	13.6
273.19006	3.7
273.22189	20.3
275.20209	4.1
287.20047	4.0
289.21686	2.6
301.18121	3.4
304.23260	2.0
307.22803	14.0
327.23221	3.2
329.24911	2.0
329.61053	2.2
331.22675	3.7
389.28418	4.2
407.24670	2.7
407.29550	17.2
425.30646	22.1
443.31580	10.0
481.33316	5.3
499.34256	56.6
500.31271	3.2
517.35309	100.0
518.32483	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	517.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95217	3.5
53.03937	13.6
53.69350	3.5
55.01881	20.4
55.05501	6.8
57.03430	9.3
59.61293	4.1
66.35680	4.0
67.05186	3.9
67.05509	47.4
69.07053	5.1
70.06600	10.3
71.04980	9.0
74.68987	3.8
79.05495	81.2
81.03423	12.6
81.07054	35.2
83.04988	18.3
85.02908	4.3
89.06017	4.0
91.05479	54.2
93.07047	79.9
95.04964	22.3
95.08606	11.4
97.06519	17.6
105.07015	14.8
107.04964	93.9
107.08606	39.8
109.02880	3.8
109.06530	4.3
109.10188	5.1
111.04440	21.8
111.08088	8.0
112.14964	4.2
115.05463	6.0
117.07017	59.3
119.04951	4.6
119.08566	17.2
121.06509	20.7
121.10172	28.8
125.09635	21.5
130.07777	4.3
131.08600	7.6
135.08070	100.0
135.11693	28.4
145.06500	20.8
145.10106	37.1
151.31294	4.0
153.09113	31.1
153.12701	5.9
155.08557	6.9
163.07549	48.6
163.11172	39.3
173.09598	32.4
181.08603	22.2
181.12201	12.0
191.10629	16.0
199.09651	9.3
209.11705	17.7
227.12773	15.9
229.37770	4.4
237.11235	52.9
255.12263	46.7
265.14346	71.9
266.14471	5.0
273.13312	55.3
283.15445	43.7
301.16425	17.7
445.22110	17.0
463.23312	26.1
481.24228	11.2
499.25366	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	516.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44186	6.2
70.06574	7.7
71.50620	9.0
79.05502	11.9
81.07066	11.0
86.09706	20.0
91.05482	11.7
95.08619	8.5
104.10736	11.9
105.07040	8.8
107.08638	7.5
109.10168	11.1
118.96459	7.4
119.08607	10.9
121.79346	6.7
124.99956	10.6
125.09534	6.8
137.09613	16.2
157.10118	10.2
158.30705	8.8
161.09579	8.0
171.08057	17.9
171.11705	7.4
172.90619	6.5
177.12759	9.0
178.89127	7.2
181.10124	8.5
184.07343	22.8
193.09976	10.2
197.09663	9.1
223.11053	8.4
235.11086	11.2
248.11923	10.2
263.14325	72.3
275.14529	7.4
289.15915	23.9
291.17456	12.1
303.17203	8.6
332.69418	7.9
399.23111	18.4
417.24432	13.7
499.76733	8.8
516.33313	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03734	0.4
55.05516	7.8
56.05047	0.6
57.03445	0.6
57.05820	0.5
67.05498	2.0
69.07068	0.6
70.02950	0.8
70.06594	4.4
70.71298	0.7
72.08157	100.0
81.07065	0.6
82.06572	1.1
84.04498	0.6
84.08142	3.3
85.02923	0.8
86.09708	11.2
87.00751	0.4
88.03985	3.3
91.05487	0.7
93.07019	0.5
96.08147	0.7
97.10226	0.5
98.02413	0.9
98.09693	1.4
99.09226	0.8
100.07639	1.4
101.31534	0.4
102.05529	0.7
109.10191	1.6
120.08092	0.7
124.07621	1.3
127.08691	5.0
128.07115	1.2
129.10260	1.4
132.10181	2.3
136.07663	0.6
138.52380	0.5
141.10274	0.7
142.08630	6.3
143.11801	52.8
152.07077	2.5
169.09732	3.9
170.08122	1.1
171.11293	27.0
173.11745	0.7
185.12787	0.5
185.16486	1.0
187.10788	36.6
197.16602	1.1
214.15439	0.7
215.10277	22.2
225.08824	0.5
225.16017	0.6
229.12309	0.4
229.14307	2.4
231.17010	4.9
270.18262	0.7
286.13986	50.6
314.17346	0.8
328.18823	1.1
340.18921	0.5
342.16806	0.8
346.19635	2.1
357.21341	15.9
385.20828	9.1
399.22729	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	19.1
57.07074	2.5
62.37679	2.8
65.03938	4.2
67.05512	49.1
69.07077	8.9
69.91443	9.9
72.15766	2.4
79.05498	20.0
81.07063	53.6
83.08614	17.7
85.02934	2.8
87.78244	2.4
91.05492	30.9
93.07059	20.3
95.08057	4.6
95.08616	50.4
95.53387	2.3
97.06550	4.7
97.10172	4.9
99.08142	2.5
105.07055	8.2
107.08601	17.2
109.10155	28.3
116.89658	2.4
117.07014	6.1
119.04939	27.9
119.08591	8.9
121.10144	13.6
122.02090	2.3
123.11707	9.8
131.04822	2.7
131.08559	6.8
133.10165	12.7
135.11673	11.5
137.09576	4.3
137.13309	3.7
143.08549	3.5
145.10097	7.9
147.04427	100.0
147.11731	4.2
149.09535	2.5
149.13235	6.1
151.11197	9.8
153.09303	2.7
159.11705	5.4
163.11092	2.9
165.05478	30.0
171.11687	3.8
173.13353	5.0
181.09859	2.5
181.12224	2.8
195.13948	2.8
202.29866	2.7
213.16495	3.8
215.18010	15.4
233.19022	8.1
251.20088	23.2
352.13818	2.5
515.37860	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	515.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.8
54.45258	1.8
55.01870	2.4
55.05515	100.0
57.03437	2.9
57.07081	3.0
65.03934	6.4
67.05509	55.9
69.03427	8.7
69.07067	11.5
69.97708	2.3
71.04996	5.4
79.05502	28.4
81.03426	12.3
81.07059	77.8
83.04996	12.7
83.08624	87.9
83.09127	4.5
85.02890	2.2
87.05699	2.1
91.05484	39.8
91.41847	2.5
93.07046	28.9
95.04968	11.5
95.08613	70.4
96.85924	2.3
97.06527	6.0
97.10161	8.8
99.04484	2.6
99.08086	2.9
105.07029	18.3
107.04968	3.7
107.08600	19.1
109.02889	9.9
109.06512	4.1
109.10166	31.9
111.04430	9.5
111.08078	3.7
117.07030	8.5
119.04958	37.9
119.08575	12.4
121.06537	2.2
121.10159	23.8
123.08054	3.9
123.11720	14.4
128.06291	2.2
129.07010	7.3
131.08566	14.9
133.10158	19.8
135.11688	18.2
137.09660	4.3
137.13252	5.8
143.08572	9.3
145.10153	11.9
147.04416	97.5
147.08008	2.3
147.11705	6.9
149.13260	7.1
151.11160	6.9
155.08577	4.1
155.10596	3.7
157.10196	6.5
159.11661	10.0
161.13274	4.6
163.11226	3.0
165.05495	9.0
169.10022	4.4
171.08015	3.1
171.11652	4.3
173.09578	2.9
173.13306	4.7
181.10178	2.6
183.11716	2.2
185.09657	2.3
185.13306	2.2
187.14839	5.1
195.11717	2.6
195.13783	3.8
197.13205	3.0
199.10991	2.3
211.14847	2.8
213.12885	3.1
215.17928	18.2
223.14928	3.0
233.19066	12.8
251.20076	37.9
287.16742	3.2
333.27933	6.5
353.24615	3.4
371.25833	3.4
376.51822	2.4
387.24994	2.3
423.32831	2.8
471.38934	2.7
479.28140	2.4
497.28775	5.2
515.21906	4.6
515.30035	15.7
515.36743	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	515.3372
Annotation	(+)-Methyl ganolucidate A
Peak:m/z	Relative Intensity
53.03946	2.9
55.05515	78.7
64.62808	1.3
65.03960	1.7
67.05508	51.4
69.07063	8.2
70.00333	5.5
79.05490	16.1
81.07059	53.5
83.04102	1.3
83.08623	75.9
85.06546	1.7
91.05482	24.7
93.07048	16.2
95.04962	3.1
95.08610	54.5
97.06526	3.0
97.10175	5.1
98.12907	1.4
105.07043	7.7
105.15692	1.3
107.08607	11.5
109.00188	1.2
109.06506	1.7
109.10162	29.7
111.08069	3.7
111.11737	1.6
111.74719	1.2
117.07019	2.4
119.04944	29.4
119.08591	7.3
121.10152	16.1
123.08118	2.1
123.11718	15.2
131.08575	5.7
133.10124	16.5
135.08110	1.7
135.11702	14.5
137.09621	5.9
137.13268	8.3
145.10144	5.1
147.04414	100.0
147.11690	3.0
148.04790	2.0
149.09657	2.2
149.13268	10.5
151.11218	10.6
151.12303	1.6
155.10713	2.3
155.74980	1.2
157.97980	1.3
159.11699	4.0
161.13133	1.4
163.11226	2.8
163.14848	3.5
165.05492	17.7
165.12828	1.8
169.12299	2.7
173.13263	1.9
177.12714	1.8
181.12253	1.6
187.14899	2.1
195.13780	3.2
199.09621	1.6
199.83980	1.2
209.15341	1.3
215.17969	18.4
233.18993	12.8
245.42598	1.2
251.20074	39.4
269.20984	2.0
294.39401	1.2
315.97522	1.3
333.27890	4.6
334.74814	1.4
386.19354	1.5
515.24677	8.1
515.36981	2.2
516.24811	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	515.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	13.5
55.01863	7.8
55.05513	25.2
57.03437	6.0
57.07080	4.6
60.05659	10.7
60.08165	4.1
65.03927	5.5
67.05510	98.4
69.03435	2.8
69.07068	22.2
71.04983	5.3
71.30357	2.5
77.03884	2.5
79.05497	99.3
81.03429	16.3
81.07060	82.0
83.04991	11.0
83.08635	11.3
85.06525	5.7
91.05489	69.8
92.83199	1.8
93.07051	83.0
95.01305	5.8
95.04970	23.0
95.08612	46.7
97.06541	16.6
97.10165	4.8
99.08086	3.0
103.05500	3.3
105.04526	3.1
105.06332	1.9
105.07034	45.5
107.04958	46.1
107.08600	39.3
109.06528	11.4
109.10149	18.9
111.04432	3.1
111.08102	4.6
113.00037	3.1
115.05412	2.8
116.06187	2.0
117.07024	34.5
119.08597	32.2
121.06503	5.0
121.10152	61.5
123.04419	3.0
123.08079	5.8
123.11702	5.3
125.09614	4.2
128.06248	5.8
129.07022	13.4
130.07814	4.7
131.04918	4.7
131.08575	35.0
133.06471	5.0
133.10139	26.8
135.08047	5.8
135.11690	37.0
137.09662	3.2
141.06941	4.3
142.07774	3.3
143.08588	12.8
145.06497	14.4
145.10127	50.6
145.95117	2.1
147.08115	3.8
147.11681	17.3
149.09634	8.7
149.13275	7.6
151.11230	2.3
153.07076	3.0
155.08577	17.7
157.06528	2.3
157.10172	13.9
159.08064	2.6
159.11707	16.5
161.09674	5.2
161.13220	5.7
163.11206	27.0
165.12746	2.6
167.08543	3.4
169.10133	5.7
171.08090	3.7
171.11662	12.6
173.09662	33.1
173.13229	10.3
175.11195	3.8
175.14824	2.2
181.10226	3.8
181.12247	6.6
183.11678	7.1
184.07390	1.8
185.09708	2.1
185.13298	3.6
187.11192	2.4
187.14851	5.1
189.12733	3.2
191.10663	16.1
195.11673	3.6
197.13232	4.8
199.11244	2.8
201.12857	2.4
203.17970	2.5
209.11752	11.9
209.13466	3.2
210.57390	2.2
211.14882	2.5
213.16409	5.4
215.18022	16.0
227.12799	8.9
231.17465	5.6
233.13269	2.4
233.19025	11.9
249.18462	3.0
257.19022	2.3
265.14365	38.5
267.15787	3.9
269.19107	2.8
273.18524	2.2
277.18109	4.5
283.15518	21.7
285.18619	2.2
289.21793	2.5
313.21533	2.2
333.20581	4.4
377.28357	3.7
395.29474	8.6
405.27988	7.2
413.30823	2.8
423.28976	18.9
431.31317	3.1
437.63550	1.9
441.29910	11.1
447.16077	2.2
459.30939	2.4
469.33392	3.3
479.32068	2.0
487.34262	18.4
497.32507	27.0
515.33698	100.0
516.34326	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	515.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.5
55.01877	5.1
55.05516	14.3
57.03425	4.6
57.07061	1.9
59.04993	1.4
65.03951	2.1
67.05509	42.2
69.03410	1.0
69.07066	14.5
71.04980	3.0
76.07645	1.2
79.05497	35.6
81.03399	4.2
81.07061	32.0
83.04977	4.4
83.08621	7.4
85.06556	2.5
91.05487	40.4
93.07051	28.5
95.04975	7.3
95.08057	1.9
95.08614	19.9
97.06522	5.8
97.10168	3.8
97.67430	1.1
99.08084	1.9
105.07035	30.6
107.04967	5.3
107.08607	17.2
109.06513	4.8
109.10172	12.8
110.92147	1.0
111.08064	3.1
115.05464	2.5
116.06249	1.3
117.07033	16.4
119.04945	1.5
119.07811	1.7
119.08595	23.5
121.06493	5.0
121.10160	11.8
123.08078	4.5
123.11707	4.2
125.09644	3.0
128.06241	5.0
129.07002	14.5
130.07787	1.6
131.08577	20.4
133.06483	4.8
133.10144	24.9
135.08037	5.9
135.11693	7.5
137.09592	3.9
141.06996	4.7
142.07756	2.1
143.08592	12.3
145.06479	4.5
145.10126	18.2
147.08055	5.9
147.11707	11.3
149.09605	8.0
149.13274	2.4
151.11185	3.8
154.07770	1.3
155.08566	8.4
156.09331	2.9
157.06470	1.6
157.10123	14.4
159.08064	4.4
159.11700	10.4
161.09625	6.6
161.13171	2.2
163.11198	3.9
165.06937	1.7
167.08597	3.1
168.09314	1.5
169.10161	11.9
170.10921	1.3
171.08078	2.2
171.11670	9.3
173.09669	6.4
173.13243	4.8
175.11211	7.3
175.14888	1.1
177.12744	2.5
179.08646	1.8
181.10165	3.3
183.11726	7.6
185.09627	1.6
185.13277	6.9
187.11185	5.8
187.14809	2.1
189.11221	1.2
189.12753	3.0
191.10548	1.4
193.10155	1.5
195.11691	5.0
197.13246	5.1
199.11206	2.8
199.14832	3.3
201.12801	4.7
201.16296	1.6
207.11740	1.9
208.12415	1.1
209.11694	2.9
209.13318	3.5
211.11174	2.2
211.14850	2.8
213.12819	2.7
213.16428	3.2
215.14381	1.8
215.17902	1.2
221.13388	1.4
223.14961	2.8
225.16452	1.9
227.12689	3.0
227.18008	2.4
229.16084	1.8
231.17497	3.8
233.19058	1.2
235.14894	1.4
237.12770	1.4
237.16522	2.2
239.14401	1.6
243.17485	2.2
249.16393	1.2
251.18123	1.3
255.17522	3.1
259.16843	1.1
267.17603	1.4
269.18942	1.9
271.16992	2.2
271.20566	1.3
273.18625	2.4
285.18588	1.7
287.20166	3.5
295.20773	1.3
297.18597	1.5
297.22067	1.3
299.20154	1.7
301.21677	1.1
307.20474	1.6
311.20160	2.4
315.19760	1.2
325.21817	2.5
329.21439	1.1
369.25525	1.4
387.26834	3.2
395.29541	3.2
402.20023	1.5
405.27835	11.1
423.28937	15.8
441.29993	7.5
459.31082	4.2
479.31750	1.5
497.32629	23.7
515.33710	100.0
516.34052	3.9
520.08319	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.3
53.50603	1.3
55.01861	4.6
55.05515	18.2
57.03437	4.2
57.07065	3.6
65.03950	3.3
67.05511	52.4
69.03429	2.5
69.07071	9.4
69.36409	8.7
69.36816	3.9
71.05001	2.7
79.05500	74.7
81.03423	3.8
81.06589	3.4
81.07059	48.9
83.04970	5.2
83.08619	9.2
85.02895	2.1
91.05488	28.0
93.07050	79.9
95.04971	11.7
95.08612	51.9
97.02886	3.7
97.06525	4.7
97.10187	1.6
99.04465	3.1
105.07034	20.5
107.04958	8.3
107.07889	2.5
107.08607	46.7
109.06503	3.5
109.10157	13.7
113.09626	2.0
117.07027	16.2
119.08585	16.5
121.06498	5.3
121.10149	35.3
123.11723	4.1
125.05982	3.5
129.06989	2.0
130.07787	1.8
131.08574	11.0
133.10161	11.0
135.08098	3.5
135.11708	48.9
143.08542	3.3
145.10132	32.0
147.11678	4.3
147.20296	1.5
149.13217	5.4
159.11700	5.6
161.13272	5.1
163.11197	59.2
171.11758	1.9
173.13258	6.3
177.12862	2.2
181.12285	10.9
187.14789	2.7
190.65654	1.6
198.53625	1.6
199.14767	1.5
209.11690	3.6
215.17882	4.0
227.12801	100.0
233.18896	6.5
243.21028	4.4
261.22104	13.4
283.15195	2.1
289.21790	2.1
335.25769	5.8
353.26797	3.2
497.32040	2.2
515.33673	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	11.9
55.01871	10.3
55.05527	29.7
57.03446	12.1
57.07083	7.2
61.02934	9.8
67.05186	6.6
67.05511	89.8
69.03442	7.5
69.07060	22.3
69.71387	6.2
70.08927	22.7
70.09280	10.6
71.01370	6.2
73.85822	5.3
79.05493	71.4
79.72465	5.3
81.03419	17.3
81.07053	100.0
85.02903	9.2
91.03934	8.0
91.05502	42.4
92.33008	5.8
92.56096	5.2
93.07050	76.3
95.04964	12.6
95.08615	77.1
97.02898	10.0
97.06528	9.4
99.08036	5.9
101.72060	7.1
105.07045	36.0
107.04962	7.0
107.08600	55.8
108.97602	6.2
109.06536	11.5
109.10143	25.6
117.06988	17.7
119.08595	35.9
121.10158	38.9
123.11697	14.2
129.05476	6.4
129.06999	10.5
131.08557	26.9
133.06467	6.1
133.10107	22.8
135.08051	11.0
135.11674	34.9
145.10097	20.8
147.11711	9.3
149.09531	7.0
149.13274	15.8
159.11694	22.5
163.11180	22.1
171.11766	8.7
173.13208	18.6
187.14833	15.1
227.12756	22.4
243.21107	11.0
261.22128	45.6
274.37177	8.6
279.22934	6.1
286.16010	5.6
296.32132	6.2
301.21732	7.2
303.22888	7.4
335.25812	18.7
353.26831	19.4
358.66766	7.2
387.24997	7.1
408.01691	6.2
470.19812	6.4
497.31390	10.0
515.33740	23.9
523.63531	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	515.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.8
53.43486	5.7
53.80613	5.9
55.05514	27.1
57.03439	11.0
57.07080	9.3
58.69143	5.5
67.05503	97.7
69.03432	15.6
69.07059	22.9
71.01344	6.1
71.51056	8.2
71.51468	8.0
73.02909	5.8
79.05497	69.3
81.03428	14.7
81.07060	100.0
83.04996	13.1
83.08617	14.4
85.02908	15.5
91.05482	60.5
93.07045	75.2
95.04970	15.2
95.08608	74.5
97.02905	6.0
97.06530	14.0
97.10204	9.0
99.04467	5.9
99.08129	7.5
100.77905	6.6
105.07038	55.2
107.08585	45.6
108.01018	5.9
109.06505	14.8
109.10181	44.5
117.07024	20.5
119.08606	41.4
119.09330	7.3
121.06512	15.3
121.10146	34.0
123.11702	15.0
129.06998	14.9
131.08588	42.7
133.10144	30.8
135.08061	14.6
135.11676	31.4
135.39288	5.7
140.52733	5.1
141.07028	7.3
143.08557	24.1
145.10150	33.9
147.11674	26.3
149.09619	7.9
149.13278	21.0
151.11308	5.9
155.08472	6.0
157.10150	15.2
159.08113	6.7
159.11668	29.7
161.09610	8.2
161.13292	14.0
163.11205	11.5
163.14876	8.4
170.70848	5.8
171.11714	17.0
173.13266	18.9
175.11334	6.0
175.14810	7.2
183.11629	8.6
185.13239	6.8
187.14828	15.2
189.12810	7.3
191.06386	5.6
195.11723	9.0
209.13391	8.2
216.95300	6.4
227.12453	5.6
231.17332	5.5
238.42879	5.7
243.21049	10.2
261.22159	42.4
265.35858	5.5
283.36060	6.1
301.21707	7.2
303.23111	7.8
351.23083	7.0
353.26926	15.1
369.24286	11.6
405.26712	6.7
423.28577	14.0
497.32193	22.6
515.33661	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98660	3.3
53.03958	6.8
55.05523	28.1
57.03442	11.2
57.07067	4.0
65.03934	9.1
67.05510	86.7
69.03424	10.7
69.07073	24.5
70.57055	12.8
79.05506	68.5
81.03423	17.4
81.07066	100.0
83.04988	6.6
83.08625	13.5
85.02919	8.2
85.06551	4.5
91.05489	54.7
93.07054	73.5
95.04979	9.2
95.08614	75.8
97.02894	7.5
97.06516	9.1
97.10181	11.4
99.08092	7.1
105.07040	46.1
107.04950	6.3
107.08609	54.3
109.06519	8.1
109.10166	35.3
111.08041	5.1
117.07019	22.8
119.08615	31.0
121.06511	6.0
121.10150	38.8
123.08102	4.5
123.11729	9.9
125.09643	4.3
129.07014	11.2
131.08571	34.5
133.06493	3.9
133.10123	28.8
135.08086	4.2
135.11705	35.1
137.09622	6.9
137.13277	4.2
143.08582	8.7
145.10155	24.4
147.08087	4.4
147.11708	16.1
149.09583	6.3
149.13275	22.0
155.08607	7.3
157.10106	10.1
159.11703	23.9
161.13249	14.8
163.11182	9.0
163.14861	12.7
169.10197	4.4
171.11751	9.4
173.13295	15.6
175.11302	3.9
183.11823	6.3
185.13231	7.1
187.14835	12.4
197.13368	5.0
201.16415	4.7
209.11638	8.2
209.13423	4.3
227.12695	5.3
243.21136	19.5
261.22174	66.3
279.23245	3.9
301.18240	3.8
303.23071	4.9
335.25836	13.0
353.26917	11.9
405.26938	4.4
423.28830	4.1
497.32767	9.1
515.33490	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.2
55.01875	6.4
55.05519	33.9
55.22504	2.5
57.03431	8.3
57.07068	2.4
61.02934	4.8
65.03938	5.4
67.05510	84.1
69.03410	5.9
69.07066	18.5
69.34373	22.9
70.33025	2.4
71.04993	6.0
79.05502	83.6
81.03402	6.4
81.07066	85.3
83.04988	5.0
83.08625	12.8
85.02917	5.3
91.03970	2.9
91.05491	41.3
93.07055	100.0
95.04992	12.5
95.08612	76.8
97.02910	6.5
97.06536	6.9
97.10162	3.8
99.04469	4.6
103.05467	3.4
105.04551	4.6
105.07037	28.5
107.04953	9.6
107.08607	54.4
109.06539	9.2
109.10177	27.3
111.08067	3.2
117.07034	25.0
119.08595	30.3
121.06464	4.3
121.10155	46.6
123.11728	9.1
129.07002	3.6
131.08569	21.5
133.10133	21.1
135.08049	5.6
135.11702	60.2
139.07529	3.4
143.08583	4.4
145.10129	39.0
147.11703	9.0
149.13297	12.8
157.10161	4.5
159.11731	15.1
161.13264	6.8
163.11203	55.6
163.14798	8.3
171.11597	3.3
173.13310	10.7
175.07613	3.0
175.14764	5.0
180.62981	2.8
181.12244	13.4
187.14769	6.4
203.14359	2.7
209.11711	3.5
215.17998	6.7
219.17584	2.9
227.12794	89.5
233.19019	4.7
243.21100	9.0
254.88989	2.9
261.22205	32.0
335.25806	11.4
345.24194	5.0
353.26956	10.0
515.33649	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	13.6
54.87797	4.6
55.01872	16.1
55.05514	9.0
57.03440	6.1
65.03928	8.0
67.05505	41.0
69.07065	10.7
70.06590	29.4
71.23434	9.6
72.08145	15.5
78.64807	5.3
79.05511	82.9
81.03431	9.3
81.07079	35.3
83.04969	20.7
84.08127	22.2
85.02908	10.8
86.09687	22.3
91.05502	40.2
93.07040	37.0
95.04977	11.2
95.08604	22.3
97.06567	5.5
99.00824	15.8
99.04465	8.0
103.05438	7.1
105.06403	7.5
105.07046	100.0
107.04961	36.7
107.08610	32.2
109.06549	6.8
111.04445	14.8
115.05446	6.0
116.33308	5.2
117.07015	23.5
119.08563	12.0
120.08119	14.2
121.06509	7.4
121.10143	25.4
123.08082	7.1
129.07021	7.9
131.08591	13.3
133.06525	40.3
133.10124	11.1
135.08034	21.6
135.11710	21.6
145.06479	9.4
145.10126	19.9
149.09656	6.1
151.07558	45.2
153.09106	7.9
153.12723	7.6
155.08521	7.7
163.07516	6.5
163.11232	23.7
173.09633	15.8
181.12248	11.3
191.10692	16.9
207.96988	5.1
209.11726	11.6
227.12895	14.4
265.14392	52.7
271.11774	53.5
283.15366	33.4
287.91849	5.9
301.16531	14.0
331.32962	5.6
479.22833	31.4
497.23743	30.1
515.27606	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	515.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.1
54.48728	5.9
55.01863	24.9
55.05504	21.8
57.03424	18.7
59.81863	5.0
61.01112	5.8
67.05510	37.1
67.29160	6.9
68.84718	5.9
69.03429	10.4
69.07073	11.9
70.06601	34.6
71.50362	8.5
72.08164	29.3
73.02863	7.3
79.05505	75.2
81.03413	17.1
81.07066	35.8
83.04966	12.8
83.08620	14.3
84.08138	25.0
85.02891	7.8
86.09688	20.6
91.04884	8.4
91.05470	71.4
93.07059	64.3
95.04959	11.5
95.08597	22.2
96.63260	5.6
97.02908	8.2
97.06508	12.0
99.00822	21.8
105.07041	55.1
107.04955	61.5
107.08591	53.0
109.02886	13.3
109.06537	9.5
109.10157	12.4
111.04457	11.2
111.08061	7.1
115.05468	8.0
115.82061	5.9
117.07021	63.5
119.04929	10.1
119.08620	18.4
120.08126	6.5
121.06505	24.9
121.10114	17.1
123.04480	6.3
123.08078	6.0
125.09601	29.8
130.00505	5.7
131.08527	10.4
133.06407	10.1
133.10135	56.3
133.54749	6.3
135.08075	100.0
137.09648	14.6
145.06493	19.8
145.10147	16.6
151.07515	10.2
153.09155	34.5
161.09624	16.1
163.07564	45.1
163.11169	8.6
175.09193	6.8
179.10634	13.1
181.08646	15.1
181.12198	8.8
191.10732	8.6
191.14336	14.1
225.11148	16.4
227.12660	6.1
237.11247	78.8
255.12300	72.3
265.14316	13.5
271.11707	14.5
273.13376	41.9
277.21304	6.4
280.86865	6.6
281.13882	11.6
283.15332	10.9
285.92053	17.4
299.14926	46.3
324.80023	6.1
379.19955	7.2
447.51306	7.1
479.22751	31.6
497.24057	43.5
515.28308	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67658	4.2
55.01867	5.7
55.05503	13.2
56.05038	6.3
56.99301	4.7
59.64086	4.2
67.05501	18.8
69.03423	8.5
69.07063	11.2
69.77788	26.8
70.06625	4.7
75.48133	4.3
75.84212	4.8
78.50758	4.7
79.05486	18.2
81.07068	35.2
82.79211	4.2
82.99751	4.3
83.08598	5.3
84.08148	84.2
91.05502	12.0
93.07039	18.4
95.08630	22.3
95.09171	4.9
105.07024	13.0
107.08600	17.0
109.06536	7.0
109.10142	16.2
119.08593	9.5
120.47253	4.7
121.06514	7.6
121.10171	21.1
123.08054	7.4
123.11687	28.1
125.09641	8.9
129.10254	6.5
131.08571	14.0
133.10124	14.3
135.11705	8.2
137.13252	7.1
140.26877	4.9
141.07057	6.3
143.08559	14.8
145.10153	11.2
147.08026	6.1
149.09622	5.6
151.11197	9.0
159.11703	10.5
159.25357	5.7
161.09584	5.6
163.11232	4.7
169.12260	11.0
169.26428	5.0
171.08083	41.1
171.11749	4.7
175.14992	5.3
179.08530	8.5
181.10110	10.2
183.11690	10.3
185.13274	5.9
193.10210	7.2
194.10905	6.6
195.11853	5.5
197.09637	17.6
197.13351	6.1
205.10161	9.8
208.08868	6.4
209.09714	12.5
211.11194	15.0
213.12752	5.3
221.09613	33.8
223.11241	16.9
233.13379	6.2
235.11252	5.5
237.12849	11.2
246.10605	7.5
249.12779	8.8
251.14282	5.8
260.12024	5.0
261.12775	47.2
263.14301	35.6
265.15808	14.4
275.14133	5.3
277.15994	5.0
279.13818	13.6
283.16922	9.0
289.15799	10.0
291.17499	18.8
301.82703	5.3
317.18945	7.0
327.19754	5.9
360.98840	6.4
387.26910	10.9
397.25186	8.7
415.26233	18.1
433.27310	17.3
451.28540	25.1
469.29553	100.0
470.29501	5.7
514.34814	37.0
515.34125	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	3.0
56.29351	2.1
56.70987	2.4
59.06134	5.6
60.05653	100.0
60.08168	32.5
67.05508	5.1
69.03420	3.0
69.07068	3.0
70.21352	5.7
79.05482	4.4
81.07064	10.3
81.30313	3.3
88.40948	2.3
91.05499	5.4
93.07021	4.5
95.08599	10.1
98.21408	3.8
105.07043	3.0
107.08601	10.4
109.06522	3.4
109.10165	18.2
119.08595	4.0
121.06520	4.9
121.10148	4.9
123.11729	4.4
125.06052	3.3
125.09616	3.1
131.08553	3.3
132.78856	2.2
135.08060	3.7
135.11714	4.4
137.09595	5.9
143.08569	7.1
147.11668	3.4
155.10712	5.6
159.11694	4.7
161.13176	2.9
169.10127	2.9
171.08084	19.4
173.09651	4.7
179.08521	4.1
181.10127	3.2
195.11771	3.3
197.09573	6.7
208.08914	4.0
209.09682	5.8
211.11195	8.9
221.09662	12.3
223.11227	10.3
225.12901	2.7
246.10405	3.7
249.12662	3.1
261.12720	15.5
263.14325	11.3
265.15894	6.0
271.50156	2.5
279.13791	6.6
283.17160	3.7
289.15820	2.6
291.17426	5.9
305.19211	3.1
328.43484	2.7
383.23627	3.4
401.24957	11.4
419.25751	8.7
437.26962	6.7
455.27951	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27182	0.3
53.03955	0.5
53.39264	0.2
55.01859	0.4
55.05521	0.4
56.05040	0.5
60.04517	0.4
60.98417	0.3
63.02372	0.5
63.67937	0.2
64.38247	0.2
67.05500	0.5
68.05019	0.3
69.03436	1.0
69.32255	0.2
69.35135	1.8
70.06213	0.3
70.06596	4.5
72.08161	2.2
75.28642	0.3
78.04684	0.3
79.05480	0.4
81.03422	3.9
83.04977	0.5
84.04529	1.1
84.08147	2.2
85.02908	1.4
86.09715	1.8
87.05592	0.3
89.03920	5.2
91.05481	0.3
94.06581	1.3
95.04966	2.3
95.06079	0.4
96.04505	0.7
97.02916	0.7
98.06068	0.7
98.21459	0.5
99.04436	0.3
105.03401	0.2
106.04162	0.2
107.02393	0.3
109.02911	1.6
110.06091	0.6
110.07129	0.6
110.72575	0.2
112.03985	4.3
112.07630	0.8
112.11257	0.5
114.05566	1.4
117.03387	16.4
122.06028	1.0
123.04440	3.1
127.03899	0.3
129.10262	0.7
134.03656	1.3
135.04424	0.8
136.07574	0.3
140.05965	0.5
140.07069	8.2
141.05467	0.5
145.02855	44.5
146.03163	0.4
147.04433	0.6
149.05977	5.9
155.11801	0.3
158.08131	7.0
162.03146	0.3
163.03906	1.0
171.11311	0.3
176.09198	8.3
177.05478	100.0
178.05843	1.0
195.06541	1.1
202.08722	0.2
224.36131	0.2
248.08893	0.3
266.10193	0.9
286.04904	0.2
302.13474	0.5
316.62787	0.3
321.09674	4.2
338.14331	0.8
339.10782	5.6
343.46375	0.2
350.20676	0.3
352.13855	0.7
478.16684	0.3
496.17761	0.7
514.18835	3.1
514.24976	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.2
55.05508	0.8
56.05041	3.6
57.07074	0.4
61.02929	0.3
62.89225	0.2
67.05509	1.4
69.07060	0.4
70.06602	0.4
71.08645	0.4
71.50971	0.2
72.08155	0.2
73.55740	0.2
79.05496	0.9
81.07067	0.7
83.08658	0.3
84.04520	3.0
84.08150	100.0
85.08466	0.4
85.10151	0.2
91.05489	0.6
93.07048	0.9
93.92794	0.2
95.05003	0.3
95.08604	1.0
96.08142	0.2
97.03013	0.3
100.99249	0.3
101.07142	0.6
101.10763	0.2
105.04478	0.2
105.07027	0.5
107.04942	0.2
107.08614	0.6
109.10136	0.4
112.07602	1.1
114.09160	0.6
117.07059	0.3
119.08601	0.4
121.10151	0.3
123.11794	0.3
129.07027	0.2
129.10245	4.2
130.05008	4.0
130.05963	0.3
131.08609	0.6
133.10139	0.4
135.11674	0.3
139.80783	0.2
143.08585	0.2
143.48674	0.2
145.10132	0.6
147.07642	2.6
147.11708	0.3
149.09621	0.2
157.10124	0.3
159.11769	0.2
161.13277	0.3
162.53900	0.2
169.10121	0.3
171.11780	0.3
184.07396	0.4
185.13274	0.3
195.11307	0.3
197.13316	0.3
213.12656	0.2
223.02922	0.2
223.10847	0.3
240.13457	0.9
258.14484	0.6
275.17163	0.2
303.77725	0.2
322.31061	7.6
322.34863	0.4
339.23044	0.2
339.33609	0.7
358.16364	0.6
384.35928	2.1
385.34225	0.6
393.27994	0.3
421.27554	0.3
439.28659	0.6
468.38037	1.1
478.36505	2.5
495.39157	1.2
496.37451	1.5
513.32697	1.4
513.40137	24.3
514.40179	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.2
54.46432	1.0
55.05514	9.5
57.07077	9.3
58.06601	1.1
65.03921	3.7
67.05506	49.3
69.03394	1.3
69.07076	8.6
70.06598	5.7
71.08633	3.6
71.51405	1.6
79.05076	2.0
79.05495	29.6
81.07058	27.0
83.08623	3.3
85.06528	1.4
88.07629	6.3
89.06023	4.2
91.05484	99.4
93.06480	2.3
93.07047	30.2
95.04964	5.8
95.08611	19.0
97.06554	2.5
102.09185	4.2
103.05453	1.2
105.04578	1.3
105.07035	48.9
107.04990	1.6
107.08600	14.8
109.06524	2.3
109.10163	8.3
109.71128	1.4
111.04344	1.0
117.07022	9.3
119.08586	11.4
121.10141	11.0
123.11734	2.1
125.09585	1.2
128.06200	3.0
129.07013	3.3
131.08592	13.9
133.10133	100.0
135.11682	10.1
141.07021	2.8
143.08580	10.2
145.10129	4.6
147.11700	4.0
149.09567	2.0
149.13246	2.2
151.11206	4.5
155.08553	3.0
157.10071	2.8
159.11729	3.4
161.09630	18.3
161.13277	2.4
163.11174	2.0
167.08563	1.4
169.10161	1.3
171.11746	4.1
173.13297	1.9
179.10706	3.9
181.10120	1.6
181.75888	1.1
183.11656	1.3
185.13211	2.7
187.14865	2.0
197.11766	3.1
197.13316	2.6
199.11150	1.4
199.14888	2.0
211.14801	1.2
213.16360	1.1
221.13326	1.3
228.23238	1.6
251.17995	1.3
256.26382	10.6
257.26620	8.7
261.22128	4.0
283.26309	8.3
284.26636	10.7
403.29984	4.0
421.30914	6.6
495.34772	3.4
513.35773	77.8
513.50739	45.7
514.36139	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	513.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14922	1.6
50.33411	1.6
53.03940	3.1
53.72912	1.7
55.01862	3.9
55.05274	2.0
55.05513	26.4
56.20279	1.9
57.03434	21.9
57.07080	10.5
61.02910	1.9
65.03936	3.3
67.05508	95.8
69.03425	9.2
69.07070	34.3
69.85053	8.6
71.01364	22.8
71.04992	4.2
71.08620	4.1
73.02924	24.1
74.89991	1.5
75.04456	2.1
78.45152	1.7
79.05067	2.9
79.05495	29.3
81.03405	2.0
81.07060	100.0
83.01331	3.9
83.04961	5.7
83.08627	24.8
84.08141	2.5
85.02911	52.3
85.06505	1.9
85.10194	3.6
86.09680	2.6
87.05608	1.9
91.05493	25.2
92.07627	1.6
93.07049	35.3
95.01336	11.0
95.04987	3.1
95.08613	84.0
97.02898	17.0
97.06529	7.6
97.10160	9.7
99.00809	4.0
99.04440	3.3
99.08084	4.2
101.02357	4.6
103.03954	8.7
105.07034	18.3
107.08600	19.6
109.06524	2.3
109.10154	34.8
109.10852	2.9
111.08067	4.0
111.11711	3.0
113.02379	22.4
117.05503	2.5
117.07041	3.6
119.08600	14.0
121.10155	18.3
123.08035	3.0
123.11716	13.1
125.09595	2.4
129.07024	1.9
131.03375	8.1
131.08537	4.3
133.10139	13.9
135.11691	12.3
137.13277	11.1
139.11145	2.1
141.01854	21.6
145.05026	3.7
145.10103	2.5
147.11707	9.5
149.13286	10.5
151.11227	2.8
151.14827	4.3
153.12683	2.5
157.10179	2.2
159.02910	5.9
159.06543	3.5
159.11775	2.4
161.13315	10.4
163.14816	7.8
165.16403	3.8
167.14392	2.1
169.04967	5.4
175.14818	9.8
177.16486	3.1
179.14285	2.0
187.06029	3.4
187.14871	1.9
189.16423	7.3
193.16005	1.9
197.04434	2.9
215.05524	7.9
221.15292	1.9
233.06535	2.7
245.22694	14.7
256.26196	2.9
263.23709	30.2
268.22629	2.6
283.26266	2.2
305.24725	9.0
337.27405	52.3
349.28235	2.4
357.24142	3.6
379.28677	3.0
477.28482	2.8
495.29623	3.7
513.30365	18.6
513.50293	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	512.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42331	0.9
53.03956	1.7
55.05524	6.7
57.03422	1.0
57.06800	0.9
57.07081	17.3
58.06583	2.8
59.05000	3.6
66.93259	1.0
67.05183	1.1
67.05514	12.5
69.03436	5.0
69.07069	4.4
70.06599	14.4
71.04974	1.1
71.08636	9.4
71.51046	1.2
72.08159	5.1
73.02911	1.5
73.08472	0.9
79.05500	8.3
81.03423	4.7
81.07061	11.9
83.04980	1.7
83.08622	3.7
85.02906	4.6
85.10184	6.0
88.07641	17.9
89.06042	12.7
91.05483	6.9
93.07061	9.9
95.08610	9.4
97.02879	2.4
97.06520	1.0
97.10149	3.2
102.09184	13.9
103.07587	2.8
105.07047	6.2
107.04971	1.4
107.08588	5.3
109.02903	1.9
109.10170	3.9
111.08094	1.3
117.07040	2.6
119.08597	4.6
119.69011	0.9
121.10136	6.5
123.11770	1.0
127.03893	1.2
129.07014	2.1
131.08572	4.9
133.08607	7.7
133.10086	4.8
135.11717	3.4
137.09642	1.1
143.08594	2.0
145.10159	4.9
147.10292	1.2
147.11726	2.7
149.09660	1.5
149.13290	1.4
156.09496	0.9
157.10141	2.0
159.11729	3.8
163.11166	1.6
166.25653	0.9
169.10176	1.0
171.11687	1.9
173.13261	2.6
175.11244	1.5
177.11259	2.8
179.08800	0.9
185.13290	1.5
187.11172	0.9
189.12848	1.0
215.18048	1.4
228.23286	3.6
233.18935	1.1
239.17793	0.9
256.26367	45.0
274.27475	3.4
275.19955	1.5
283.26337	46.6
299.20111	1.1
311.29550	3.1
327.20251	3.0
341.21185	1.3
349.50787	0.9
359.22183	2.6
505.45322	1.0
512.50439	100.0
513.51013	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.01865	1.3
55.05524	9.4
57.03430	3.1
57.07083	18.7
59.04987	2.6
67.05509	21.0
69.03435	9.2
69.07076	7.8
69.56091	1.5
70.06599	17.8
71.04991	2.6
71.08629	10.7
71.51536	1.6
73.02934	3.8
76.24194	1.5
79.05500	25.9
81.03420	12.3
81.07060	21.6
82.80463	1.7
83.04989	3.4
83.08617	5.9
84.79498	1.3
85.02914	7.3
85.06560	2.3
85.10185	4.3
88.07645	19.2
89.06036	17.8
91.05488	13.1
93.07044	23.8
93.81952	1.5
95.04953	4.6
95.08617	17.6
97.02901	4.5
97.06571	2.9
97.10208	1.9
99.04444	2.3
99.08123	2.1
102.09195	14.3
105.07032	15.1
107.04989	1.8
107.08617	9.9
109.02904	3.7
109.06517	1.8
109.10175	6.3
111.59495	1.3
117.07032	6.3
119.08567	8.1
121.10159	13.2
123.08109	4.0
127.03938	3.7
128.06242	2.2
129.07008	4.6
131.08574	10.7
133.08624	12.1
133.10153	8.1
135.08086	2.7
135.11722	4.6
143.08539	3.2
145.10117	7.8
147.08043	1.8
147.11734	7.3
149.09654	1.8
149.13313	3.1
155.08632	1.9
157.10138	4.1
159.11731	5.9
161.09703	1.5
161.13303	2.9
163.07608	1.4
163.11212	2.6
167.10698	1.5
169.10272	1.7
171.08145	1.6
171.11714	4.2
173.09543	2.1
173.13249	4.3
177.11238	3.8
185.13274	1.8
189.12772	1.5
191.10626	1.7
195.11581	2.0
197.03195	1.5
197.13382	1.7
198.47353	1.4
199.11201	2.7
201.12709	1.4
209.11659	1.9
213.16440	1.7
215.18073	2.3
228.23311	2.1
231.17485	2.8
256.26367	45.8
274.27432	3.3
275.20126	3.0
283.26346	49.7
311.29385	3.1
327.20093	8.1
340.29010	2.0
341.21185	4.2
347.44681	1.5
357.71051	1.5
359.22253	5.3
377.23419	5.2
512.42212	3.7
512.50427	100.0
536.51080	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	511.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39984	1.1
67.88222	1.5
70.06598	2.1
72.08158	7.6
79.76129	1.2
84.04517	1.7
84.08174	1.6
86.09719	1.4
91.05528	2.7
115.05524	1.6
118.06553	17.8
120.08093	2.5
130.06549	1.3
132.08121	5.3
142.06598	1.8
144.08096	10.8
146.06024	58.9
156.82796	1.3
159.09171	4.3
170.06023	2.9
188.07085	100.0
205.09734	34.2
217.08217	1.4
312.89178	1.3
317.68692	1.4
326.10394	1.8
511.25348	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	511.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.6
55.01878	12.3
55.05512	20.6
57.03430	4.4
57.07067	2.5
65.03942	3.5
67.05507	53.2
67.36300	1.2
69.03440	3.1
69.06734	2.2
69.07072	22.8
71.04991	6.4
71.50794	2.0
72.08141	1.6
73.02901	2.1
77.03960	1.3
79.05492	47.9
81.03420	4.4
81.07059	100.0
83.04982	26.2
83.08620	12.6
84.08136	1.2
85.02910	4.4
85.06545	8.0
89.06036	11.0
91.05485	43.0
93.07044	42.8
95.04974	9.8
95.08607	29.8
97.02908	1.2
97.06539	13.6
97.10166	4.7
99.04461	5.8
99.08098	5.4
101.05978	1.4
103.05492	1.9
105.04565	1.3
105.06319	2.2
105.07035	45.0
107.04961	17.7
107.08595	26.7
109.06543	6.6
109.10179	8.2
111.04453	31.6
111.08094	11.8
113.06034	2.4
117.07024	8.9
119.08585	36.1
121.06500	3.7
121.10146	40.9
123.08090	5.3
123.11705	26.3
125.06017	2.2
127.07553	2.7
129.06987	2.3
131.08565	9.2
133.08597	4.7
133.10106	3.8
135.08061	1.7
135.11693	19.5
137.13200	1.4
137.30313	1.2
139.07603	1.7
141.09131	1.5
143.08524	1.6
145.06487	3.7
145.10130	21.2
147.07985	1.7
147.11691	63.5
149.09633	5.6
150.03711	1.5
153.12766	14.6
155.08510	3.0
157.10100	2.5
163.11186	34.2
165.12752	28.8
173.09613	12.1
177.11208	1.4
181.12236	22.5
183.13832	5.4
191.10696	21.8
193.12320	2.5
209.11737	11.9
224.76357	1.4
227.12807	19.7
229.14372	5.8
265.14337	18.2
267.13080	2.0
267.15915	42.4
283.15396	19.8
285.17004	4.6
352.25571	1.6
447.27771	2.0
475.26630	6.8
493.27869	10.4
511.29144	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	510.437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.1
57.07081	26.9
57.83383	0.8
67.05507	2.0
69.07094	2.1
70.43834	0.8
71.08637	23.6
71.09008	1.7
71.50857	1.5
73.06567	1.3
79.74027	0.8
81.07068	2.1
83.08638	1.2
85.10194	12.8
87.04481	3.3
89.06039	100.0
95.08665	2.1
97.10194	1.0
105.07031	1.3
107.07113	2.6
117.09139	1.0
126.77644	0.9
130.08670	2.0
133.08614	59.1
141.16422	1.3
151.09703	1.6
155.18031	1.2
177.11238	20.8
177.12657	1.6
194.11761	5.3
195.12265	5.0
205.32637	0.8
206.11748	6.2
211.24290	2.4
220.13377	1.2
221.13933	2.0
239.14917	4.1
262.34845	0.9
271.63058	0.9
283.17532	41.7
307.28705	0.9
363.16476	1.5
364.66724	0.9
365.18018	1.2
379.19406	3.3
393.17276	2.3
406.17786	1.4
407.18900	3.5
408.19669	3.7
409.20465	2.6
421.20215	4.9
422.21002	7.8
423.21930	5.9
424.22067	4.3
436.23004	1.8
437.23526	9.8
454.20245	3.6
467.24734	1.1
480.21777	1.0
493.40701	4.5
495.24066	14.0
509.25815	1.6
510.26440	46.4
510.43088	24.1
511.27200	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.6
56.06964	0.7
57.06791	1.5
57.07082	41.3
59.05005	100.0
60.76456	0.5
67.05525	1.1
69.07067	5.8
71.08638	31.7
71.24898	0.9
73.06557	7.3
77.55709	0.6
81.07057	1.4
83.08624	4.4
85.09663	1.0
85.10188	19.3
87.04476	2.5
89.06040	42.7
91.07611	1.1
95.17567	0.6
97.10204	4.6
99.11750	3.8
103.07589	85.3
107.07089	0.7
111.11730	2.4
113.12535	0.6
113.13290	2.4
117.09142	3.4
122.12577	0.6
125.13280	1.4
127.14835	1.2
133.07671	0.9
133.08618	13.9
139.14873	0.7
147.10168	29.5
155.17963	0.6
161.11780	0.9
177.11217	6.9
191.12779	1.9
194.11794	1.2
197.22638	2.0
206.11757	1.2
209.13910	0.9
219.20952	0.6
221.13934	1.5
241.25150	2.1
253.16444	1.5
267.67523	0.7
285.27930	6.2
297.19086	10.5
329.30423	2.6
329.93457	0.6
493.40662	2.4
510.43555	19.1
537.32416	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.7
57.07078	1.5
60.85043	0.3
67.05502	0.6
69.07066	1.0
70.06597	1.8
71.08630	1.1
71.51476	0.3
79.05500	0.5
81.07056	1.3
83.08589	0.4
85.10178	0.9
87.04489	0.5
88.07639	0.8
89.06047	1.8
91.05498	0.9
93.07053	0.7
95.08607	1.2
97.10167	0.3
97.47509	0.3
102.09254	0.4
105.07040	0.4
106.06535	0.3
107.08612	0.7
109.10158	0.3
113.06022	0.3
114.05594	0.4
121.10172	0.7
132.12155	0.3
133.08643	1.1
134.09669	0.9
148.11185	1.8
149.12013	0.5
160.11243	1.1
161.54305	0.3
162.12827	0.3
167.39401	0.3
174.12839	0.3
176.14375	0.3
177.11322	0.5
180.10225	2.6
183.71719	0.2
193.11021	0.5
194.11780	16.2
206.11780	22.4
207.12558	0.5
220.13358	5.1
221.14023	0.5
256.26361	0.9
283.17752	0.3
284.16461	0.3
450.40833	0.4
490.96448	0.3
495.40549	0.4
510.43066	100.0
511.43271	2.5
531.79462	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.6
55.05507	15.1
57.03433	7.4
57.07082	95.6
58.80637	2.4
60.08174	3.0
61.19051	2.8
64.93774	2.8
67.05499	36.5
69.03436	15.3
69.07069	22.7
69.33510	24.4
71.08635	75.9
79.05476	3.2
81.03403	15.7
81.07061	50.2
83.08620	34.7
85.02907	28.9
85.10187	44.0
86.09697	3.8
91.05460	2.7
95.08613	71.4
97.02891	24.5
97.10181	19.4
99.04452	7.4
100.58836	3.0
104.10753	10.0
107.81808	2.8
108.04482	4.3
109.02885	11.9
109.10162	36.7
123.11732	14.0
127.03919	30.0
129.97273	2.6
137.13284	4.8
145.04948	24.5
166.06830	3.1
173.14314	3.1
184.07309	7.0
239.23694	100.0
241.29338	3.0
257.24863	6.1
310.44998	3.2
313.27420	39.9
331.28540	3.1
341.26767	3.3
383.27945	51.6
401.28995	85.4
409.01669	3.3
447.23050	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	510.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.5
55.74821	0.6
57.03437	0.9
57.07077	37.2
59.04716	1.6
59.05005	26.6
62.06091	3.0
67.05499	1.0
69.07061	4.4
70.06635	2.9
71.08634	34.0
73.06567	4.9
77.06047	1.0
79.05500	0.8
81.07044	1.1
83.08614	3.5
85.10183	19.8
87.04473	20.1
89.06034	49.5
95.08607	2.3
97.10151	4.0
99.11735	3.0
99.38623	0.7
103.03946	100.0
103.07587	22.4
107.07095	1.0
111.11725	2.7
113.13297	1.4
117.09143	2.1
117.92801	0.6
119.07114	1.3
121.08647	1.8
124.05810	0.7
125.13232	1.2
127.14846	1.1
130.08698	0.9
131.07036	7.3
133.08607	12.1
147.06526	7.7
147.10164	16.9
149.44563	0.7
155.00948	0.7
163.09631	3.7
165.11295	2.6
175.09688	3.0
177.11247	6.3
191.09169	5.1
191.12730	0.8
194.11858	0.9
195.12263	1.2
197.22670	2.7
206.11760	1.3
207.12335	3.0
235.11801	2.4
241.25220	1.7
251.14937	5.0
269.15991	1.7
279.14453	2.1
285.27896	7.6
297.15469	6.8
329.30573	2.0
338.34222	1.3
343.28854	0.7
369.33649	10.3
435.37167	0.8
493.37277	4.8
510.43195	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	1.3
57.03431	1.3
57.06832	0.8
57.07085	8.8
58.06591	0.7
60.08170	17.6
67.05519	3.0
69.07074	1.6
70.02787	0.9
70.03194	2.1
71.07384	7.3
71.08642	6.4
74.75096	0.5
75.04508	0.7
81.07059	3.1
83.08620	1.6
83.18905	0.6
84.21546	0.6
85.10207	3.3
86.09715	50.9
93.68397	0.7
95.08617	6.0
97.10169	1.0
98.98483	4.9
101.72565	0.6
102.60947	0.7
104.10756	95.0
109.10171	2.3
125.00020	28.6
184.07362	100.0
239.23711	3.9
257.24692	0.9
258.11041	1.2
259.22824	0.7
313.27390	14.4
313.30777	1.2
327.29068	1.6
327.46985	0.6
331.28476	1.2
359.82016	0.8
382.48117	0.7
492.34534	8.7
510.35620	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	14.3
57.03431	8.1
57.07068	2.4
61.15220	2.0
67.05511	36.6
69.07063	16.1
71.30085	3.6
79.05498	9.1
81.07062	31.4
83.08632	5.7
88.31007	2.2
91.05486	6.8
93.07042	6.8
95.08611	25.7
97.06524	2.4
97.10173	3.3
98.98473	51.9
105.07027	4.0
107.08616	4.8
109.10152	7.7
119.08564	4.2
121.10128	3.4
123.11707	4.4
133.10107	3.4
135.11652	2.9
147.11542	2.8
155.01065	4.0
163.14844	3.0
173.02182	11.0
184.07294	2.3
227.74316	2.6
245.22626	2.2
263.23746	4.7
337.27383	100.0
338.27487	2.7
378.70059	2.6
393.27365	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	510.3546
Annotation	PC(16:0/O-1:0)
Peak:m/z	Relative Intensity
55.05516	1.0
56.05027	1.3
57.07079	5.8
58.06604	1.7
58.76416	0.6
60.08169	20.1
67.05492	1.6
69.07070	1.4
71.07380	6.6
71.08627	2.7
71.51325	0.9
81.07046	1.7
83.08627	1.2
85.10186	1.9
86.09708	50.0
95.08620	2.3
97.10159	0.7
98.98461	4.8
104.10750	100.0
109.10168	1.3
117.30264	0.6
125.00012	29.9
134.99631	0.7
143.55829	0.6
184.07349	93.8
202.18179	0.7
239.23724	1.7
258.11139	1.3
285.61514	0.6
313.27380	8.9
323.51642	0.6
327.28879	1.2
331.28519	0.6
378.80234	0.7
432.28119	0.7
461.35306	0.8
492.34497	8.4
510.35538	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	5.3
55.01874	8.9
55.05513	13.9
57.03431	4.9
57.07074	1.7
59.05001	2.2
65.03947	1.9
67.05511	32.5
69.03435	12.5
69.07078	10.7
70.06618	2.2
70.80499	3.1
71.04993	6.8
72.08162	2.3
73.02946	1.4
79.05074	2.2
79.05507	33.1
81.03429	14.5
81.07066	27.1
83.04989	18.6
83.08624	7.7
84.08189	1.3
84.42208	1.3
85.00378	1.2
85.02906	5.1
85.06557	2.1
91.05489	21.2
93.03412	1.1
93.07053	49.2
93.67839	1.1
95.04971	11.1
95.08617	34.2
97.02908	5.0
97.06532	7.5
97.10149	1.5
99.04462	14.0
99.08083	1.7
103.05471	1.6
105.04562	1.9
105.07050	14.8
106.79434	1.2
107.04971	16.6
107.08609	31.9
109.02879	5.9
109.06512	3.3
109.10168	6.4
111.04450	20.5
111.08109	7.6
115.05466	1.5
117.05476	1.3
117.07026	12.6
119.08588	14.0
121.06528	5.9
121.10158	20.2
123.04414	1.7
125.05994	4.5
127.03934	4.0
129.07014	1.2
130.07793	3.2
131.08580	5.1
133.10161	3.9
135.08058	3.8
135.11699	42.9
136.12123	1.4
139.07549	1.8
145.04956	2.0
145.06509	1.2
145.10139	34.2
147.11668	1.2
149.09598	1.7
153.12772	9.1
155.08539	2.9
157.10202	1.8
163.11197	59.3
168.42162	1.1
173.09648	7.8
181.12254	22.7
191.10677	11.1
201.16240	1.1
209.11749	8.7
213.03893	2.6
227.12808	100.0
253.23534	2.0
265.14355	24.7
283.15445	15.3
329.08752	1.5
345.28320	3.7
347.09833	1.9
357.08188	1.3
462.35382	1.1
491.26413	9.0
493.98328	1.2
509.27448	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.6
53.03943	13.9
55.01631	2.0
55.01874	24.7
55.05509	13.5
57.03430	4.3
65.03941	6.3
67.05508	78.5
69.03419	1.6
69.06799	1.1
69.07074	12.5
69.34225	6.2
69.34649	5.0
71.05003	6.8
73.02909	2.5
79.05496	74.7
81.03426	19.3
81.06599	3.0
81.07064	57.6
83.04495	2.2
83.04986	36.9
83.08619	4.6
85.02893	4.2
85.06537	4.7
91.05485	48.0
93.07051	73.4
95.01311	3.7
95.04968	28.6
95.08614	25.1
97.02863	1.5
97.06532	21.3
97.10174	1.8
99.04437	8.1
99.08106	1.7
101.02400	2.0
103.05441	3.9
105.03397	1.6
105.04485	1.8
105.07039	21.1
107.04963	69.0
107.08599	41.0
109.02863	1.5
109.06532	10.3
109.10201	6.6
111.03716	3.0
111.04448	39.0
111.08078	10.9
115.05456	2.9
116.06210	1.3
117.07034	36.6
119.08587	24.9
121.06506	6.7
121.10151	54.7
123.04422	4.1
123.08043	3.0
125.06024	3.6
125.18696	1.2
129.07019	9.3
130.07773	4.0
131.04909	7.6
131.08568	17.6
133.10133	3.2
135.08040	6.5
135.11694	56.9
139.07582	1.4
143.08516	3.3
144.05630	2.3
145.06482	15.7
145.10126	70.6
147.08069	3.9
147.11658	2.3
149.09608	9.6
153.06970	3.0
153.12755	17.9
155.06041	2.1
155.08557	22.3
158.07336	1.5
163.11192	94.3
173.09621	56.8
181.12238	33.0
191.08949	2.5
191.10670	45.7
209.11737	43.8
227.12787	60.3
228.07802	1.3
237.14749	1.8
261.63470	1.4
265.14365	100.0
266.14804	1.7
283.15427	32.6
286.78311	1.6
308.18213	1.7
353.21133	1.7
445.25998	3.6
473.25345	9.8
491.26346	15.7
509.27441	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	2.9
53.03955	14.8
55.01882	19.2
55.05511	14.8
57.03437	5.9
57.07071	1.4
59.04998	3.3
60.38604	1.5
65.03936	7.1
67.05511	83.3
69.07073	16.7
69.97305	6.2
70.06593	4.1
71.05008	7.4
73.02894	2.2
77.03930	2.6
79.05500	81.4
81.03429	26.1
81.07063	61.0
83.04989	39.1
83.08617	6.8
84.08174	1.9
85.02910	3.7
85.06551	6.0
89.06020	3.4
91.05487	48.6
93.03397	1.6
93.07051	74.0
95.01315	3.0
95.04983	32.3
95.08617	26.0
97.02895	2.8
97.06535	24.4
99.04478	4.3
99.08100	1.6
103.05471	4.2
103.07610	2.0
105.04494	2.9
105.07044	22.0
107.04968	79.3
107.08603	37.4
109.06527	8.6
109.10169	6.0
111.04451	34.8
111.08105	11.2
115.05471	4.3
117.07031	29.1
119.08606	27.2
121.06486	9.7
121.10159	56.2
123.04459	3.8
123.08047	2.4
125.05993	5.9
129.07013	10.4
130.07803	4.9
131.04939	6.9
131.08574	23.0
132.05711	1.8
133.08640	2.1
133.10130	2.7
135.08058	4.5
135.11707	62.0
140.67439	1.4
143.08582	3.7
144.05783	1.9
145.06493	16.3
145.10141	66.8
147.08078	3.7
147.11725	2.8
149.09659	12.0
149.19121	1.5
153.12750	18.9
155.06036	2.4
155.08575	19.6
163.11198	100.0
172.80373	1.7
173.09639	59.3
181.12248	32.8
191.08952	2.6
191.10690	50.8
207.40453	1.4
209.11754	49.6
227.12798	68.8
265.14377	94.9
283.15421	40.6
353.21072	2.0
427.24289	2.8
445.25851	3.5
454.17773	1.6
473.25473	8.6
491.26511	17.1
509.20392	3.0
509.27591	46.3
511.18243	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	509.0335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52464	0.4
55.27796	0.4
69.19855	4.7
70.28493	0.4
101.00880	1.9
103.94114	0.5
119.01897	3.3
134.99861	0.5
137.02954	0.9
158.99928	1.1
177.00960	10.3
178.01219	0.6
192.98866	0.5
193.36510	0.5
201.00917	3.4
210.23430	0.5
216.98888	0.6
217.04066	2.2
219.02008	21.8
220.02121	0.7
225.00883	3.5
235.00015	1.7
236.00101	0.9
236.99919	1.3
240.57698	0.4
240.98940	1.7
241.99008	0.9
242.99394	0.6
243.02007	15.0
244.02191	0.9
258.97449	0.9
259.00009	6.8
260.00134	2.8
261.03073	100.0
262.03152	4.3
263.03003	0.9
264.98959	1.0
277.01019	2.5
278.01123	1.6
279.00876	1.5
279.11685	0.5
283.00009	11.9
284.00128	9.3
284.04721	1.3
284.99823	7.0
285.99887	1.0
301.01086	12.7
302.01135	8.2
303.00943	4.7
304.01050	0.9
335.76019	0.5
340.99133	0.5
342.98917	0.9
359.00095	1.2
361.00128	2.2
367.02225	2.8
367.54425	0.5
372.48474	0.5
382.99896	1.4
385.03336	24.7
386.03436	1.5
392.97998	0.5
401.01694	2.4
402.01291	2.0
403.00073	3.8
403.05008	17.4
408.00046	0.5
408.04822	0.5
425.01297	2.7
426.01239	3.7
427.01117	1.7
443.02414	4.3
444.02444	6.6
445.01886	2.5
446.50253	1.4
447.00369	1.1
455.00424	0.5
456.00806	0.9
459.97308	0.7
467.01651	0.5
468.02420	0.6
487.49515	0.5
487.99515	0.7
499.49924	0.9
499.99744	0.8
500.49261	0.8
503.23560	0.7
504.23651	0.5
508.50198	0.8
509.03564	8.6
527.01093	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40682	0.2
55.05513	1.2
67.05512	1.2
69.07072	1.1
70.06595	1.4
71.04084	0.3
79.05504	0.5
81.07085	1.1
83.08626	0.4
91.05488	0.9
93.07041	0.9
95.08618	1.0
97.10188	0.5
103.11813	0.2
104.30209	0.2
105.07042	0.9
106.06613	0.3
107.08606	0.8
109.10114	0.5
109.37702	0.2
112.35932	0.2
112.63614	0.2
112.97147	0.2
114.05547	0.4
116.07133	0.2
117.07025	0.2
119.08598	0.6
120.08076	0.3
121.10164	0.4
124.16042	0.2
129.07004	0.2
131.08609	0.4
133.08823	0.2
133.10158	0.6
134.09688	0.5
135.11684	0.2
147.11705	0.2
148.11234	1.9
149.11980	0.5
154.08630	0.4
160.11171	1.3
161.12022	0.8
162.12794	0.8
174.12848	0.6
176.14378	0.8
180.10205	3.3
192.10165	0.3
194.11781	19.5
206.11780	26.4
207.12415	0.7
214.25375	0.2
220.13341	6.6
221.13789	0.3
234.14867	0.4
237.07951	0.2
284.16656	0.3
305.84409	0.2
328.23062	0.2
354.24011	0.3
396.28607	0.4
410.30399	0.4
448.39523	0.5
492.38541	0.3
493.39139	0.5
508.41541	100.0
509.41733	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	508.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.8
57.07053	0.5
63.55239	0.1
67.05505	0.7
68.05026	0.2
69.07070	0.8
69.51111	0.5
69.51534	0.6
70.06593	1.5
71.08601	0.3
74.35313	0.2
78.81168	0.1
79.05467	0.6
81.07072	1.1
83.08597	0.6
85.10170	0.3
89.06020	0.8
91.05466	0.6
93.07030	0.7
95.08631	0.8
97.10155	0.2
105.07003	0.7
107.08575	0.7
108.08152	0.2
109.10137	0.5
114.05516	0.4
115.54812	0.1
116.07116	0.3
117.07005	0.3
119.08549	0.4
121.08772	0.2
121.10151	0.3
123.02415	0.2
129.06998	0.2
131.08563	0.5
133.08693	0.3
133.10175	0.3
134.09650	0.7
135.11665	0.3
145.10112	0.2
147.11707	0.4
148.11205	1.7
149.12010	0.6
152.07068	0.2
154.08589	0.2
159.11674	0.2
160.11249	1.6
161.11955	0.6
161.13222	0.3
162.12756	0.7
174.12784	0.7
176.14371	0.8
178.08595	0.2
178.12350	0.2
180.10185	3.9
188.14340	0.2
192.10168	0.2
193.10986	0.3
194.11775	18.6
195.12106	0.3
206.11772	25.0
207.12390	0.6
218.11737	0.2
220.13341	6.1
221.14107	0.3
222.15042	0.1
234.15063	0.3
271.15668	0.2
284.16373	0.4
354.24026	0.2
410.30597	0.3
448.39651	0.4
462.41461	0.2
492.38464	0.4
493.39148	0.3
508.41519	100.0
509.41873	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	508.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99325	3.2
55.05508	14.3
56.79985	3.1
57.03451	4.4
57.07084	9.8
60.08152	15.3
67.05510	28.7
67.59718	3.4
69.07081	30.8
70.31107	4.2
70.90330	4.5
70.90666	3.7
71.07375	7.4
71.08624	4.3
72.08157	8.8
79.05500	14.6
80.09322	3.6
81.07056	39.0
83.08636	22.1
86.09718	55.4
86.27998	3.6
91.05452	5.2
93.07036	20.9
95.08633	28.3
97.06544	7.8
97.10159	16.6
98.98480	8.6
102.24520	3.1
104.10058	5.7
104.10757	100.0
105.07022	3.9
107.08626	14.3
109.10164	10.6
111.08123	5.1
119.08537	3.6
121.10151	38.9
123.11733	11.3
125.00019	27.4
126.04279	3.7
127.35651	4.1
135.11705	26.8
137.13264	9.9
139.11255	4.2
149.13200	8.6
184.07372	98.8
219.21112	35.1
237.22166	54.7
255.23152	12.2
311.25824	40.3
313.62509	3.5
329.26846	15.7
336.26086	6.8
337.27496	5.5
490.33365	7.7
508.33908	28.9
510.30005	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	508.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.5
55.01847	3.4
55.05514	18.8
55.48623	2.2
56.05024	3.1
57.03444	2.4
57.07061	3.7
58.99575	8.6
61.02901	3.9
65.03948	11.4
67.05508	38.8
68.04988	2.2
69.03416	6.6
69.07069	20.9
70.06591	31.2
70.55893	7.0
71.05008	3.6
72.08178	12.9
74.06062	2.8
75.70011	2.3
76.02236	3.2
79.05490	34.3
81.03408	6.8
81.07061	73.2
81.41357	2.0
83.04996	15.3
83.08608	7.2
84.04507	4.1
84.08142	8.7
85.01126	7.2
85.02918	22.0
85.06536	3.4
86.09712	18.9
86.99031	2.9
87.02689	9.1
88.02219	11.4
88.04000	16.1
89.08319	2.2
91.05482	43.1
93.07052	47.8
95.04969	4.3
95.08617	84.4
97.01090	5.0
97.02871	7.8
97.06528	7.7
97.10171	4.1
99.02684	89.1
101.04258	17.9
105.07040	64.0
107.04964	11.4
107.08598	56.3
109.06563	2.4
109.10160	73.0
111.02653	5.3
111.08074	4.0
111.11738	3.1
113.04232	12.5
113.62395	2.4
115.05737	2.8
116.07102	5.1
117.03735	53.1
117.07024	8.8
119.08588	47.2
120.08096	7.4
121.10152	23.4
122.02780	20.7
122.03605	5.0
123.11710	9.8
125.04205	7.4
126.03725	3.5
127.03870	3.5
127.05778	4.5
129.03717	11.2
129.10242	4.5
131.05302	17.2
131.08574	18.0
133.06117	3.2
133.10138	62.8
134.02698	4.0
135.11702	12.0
136.07553	3.4
137.05988	53.7
139.05751	6.9
143.05226	3.3
143.08553	3.7
145.02930	5.1
145.04945	2.6
145.06761	2.3
145.10146	33.7
147.11707	35.0
149.13277	10.6
151.05722	3.1
151.11189	4.8
153.07399	2.6
157.04301	2.9
157.06761	4.3
157.10135	4.0
159.11702	12.4
160.04250	2.8
161.05965	2.9
161.13342	11.1
165.07227	7.4
171.08304	3.1
172.04211	5.1
172.12453	3.4
175.07509	6.2
177.05389	5.8
177.16344	5.0
181.10500	2.6
183.08302	6.2
186.05809	7.8
187.14796	17.7
189.16388	82.5
197.09955	3.3
204.06845	7.1
207.17482	15.2
218.08342	4.6
221.13571	9.3
239.14665	100.0
241.16228	4.1
246.11626	5.6
257.15698	3.9
265.16232	3.7
310.18314	19.3
311.16629	21.0
322.66418	2.8
324.62723	2.5
328.19431	76.8
338.13623	2.7
346.20453	23.6
366.13116	2.4
373.98053	2.2
508.25406	3.2
509.24042	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05924	0.9
53.03942	3.5
55.01874	1.4
55.05514	19.7
57.03428	2.3
57.07079	59.8
64.98753	0.9
65.03937	3.4
67.05509	70.8
69.07073	26.5
71.03386	1.6
71.03701	0.9
71.05009	2.3
71.08637	39.1
77.03910	1.2
79.05497	39.2
81.03427	1.4
81.07060	86.3
83.04974	9.2
83.08615	29.7
85.06554	4.7
85.10179	21.1
91.05487	22.2
93.07050	45.1
95.04974	6.5
95.08614	54.8
97.06539	9.6
97.10172	9.7
99.08073	2.3
99.11723	1.0
105.07027	7.7
107.08602	23.5
109.06522	2.3
109.10163	19.0
111.08080	5.5
111.11734	1.8
114.03358	0.9
117.07029	10.0
119.08582	2.5
121.10162	10.0
123.08064	1.4
123.11723	10.1
125.13233	1.8
129.07034	1.4
131.08565	9.1
133.10126	10.7
135.08058	2.1
135.11688	7.7
137.13243	4.1
139.11143	1.1
147.11687	1.9
149.13274	24.5
151.11194	1.1
151.14824	1.7
151.69202	1.0
159.11700	10.8
163.11232	0.9
165.16451	1.3
177.12761	4.9
195.13809	15.5
203.19221	1.0
221.22659	1.4
227.19815	1.0
233.15419	1.4
239.23695	12.3
251.16521	1.8
313.27448	1.4
507.40500	100.0
508.40854	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	507.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93287	1.3
53.03944	3.4
55.01871	2.1
55.05517	22.5
55.30820	1.5
57.03448	6.9
57.07088	9.4
59.04985	1.7
65.03938	3.1
67.05512	100.0
69.03426	2.0
69.07079	18.1
71.05006	3.5
71.08623	5.9
71.50901	3.1
79.05066	2.4
79.05499	30.7
81.03415	3.2
81.07063	60.5
83.04991	3.8
83.08619	17.2
85.06532	4.4
91.05484	22.2
93.07056	36.4
95.04990	3.2
95.08616	38.6
97.06530	5.8
97.10167	11.2
103.09523	1.4
105.07040	16.4
107.08609	26.6
109.10165	61.3
111.08073	3.6
117.07026	8.9
118.16797	1.4
119.08595	14.9
121.10146	18.0
123.08049	1.9
123.11720	8.2
125.09651	11.9
129.07007	2.3
131.08594	11.8
133.10138	13.7
135.11722	13.4
137.09615	3.3
137.13231	3.7
139.11227	2.4
143.08562	3.3
145.10133	8.1
147.08095	1.8
147.11673	8.4
149.13275	11.6
155.10687	3.8
157.10097	3.1
159.11705	8.8
161.13280	5.2
163.14847	4.0
165.12643	1.3
171.11749	2.1
173.11726	16.1
173.13292	6.8
175.14790	1.8
177.12743	1.5
185.13342	1.8
187.14832	2.9
189.11232	7.5
197.13335	1.6
199.05264	1.4
213.16568	1.8
227.12793	9.8
229.14384	32.3
230.14824	1.8
231.15976	1.7
243.21107	4.4
259.20694	3.8
261.22131	24.6
272.99173	1.5
317.24713	4.4
335.25781	17.3
356.19916	1.5
379.29810	3.2
397.31042	7.1
415.31885	5.7
433.33078	4.9
439.15012	2.1
466.22308	1.6
471.34872	2.7
489.29041	1.9
489.35886	29.3
507.36804	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2936
Annotation	Ixabepilone  
Peak:m/z	Relative Intensity
55.05511	0.5
60.20439	0.3
67.05506	0.8
69.07063	0.5
70.06588	1.1
71.31625	0.7
77.40518	0.3
79.05505	0.9
81.07043	0.7
83.04997	0.3
91.05494	0.8
93.07069	0.5
104.44888	0.3
105.07043	1.3
107.08642	0.5
109.10101	0.5
119.08604	0.4
128.07054	0.7
131.08551	0.4
133.10146	0.6
144.08955	0.3
145.10083	0.7
147.11839	0.3
157.10213	0.4
194.11734	0.3
195.11998	0.3
329.24628	0.5
419.24081	2.1
421.22012	0.7
463.33765	0.5
489.28183	0.7
507.29349	100.0
508.29584	2.7
517.67426	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93287	1.3
53.03944	3.4
55.01871	2.1
55.05517	22.5
55.30820	1.5
57.03448	6.9
57.07088	9.4
59.04985	1.7
65.03938	3.1
67.05512	100.0
69.03426	2.0
69.07079	18.1
71.05006	3.5
71.08623	5.9
71.50901	3.1
79.05066	2.4
79.05499	30.7
81.03415	3.2
81.07063	60.5
83.04991	3.8
83.08619	17.2
85.06532	4.4
91.05484	22.2
93.07056	36.4
95.04990	3.2
95.08616	38.6
97.06530	5.8
97.10167	11.2
103.09523	1.4
105.07040	16.4
107.08609	26.6
109.10165	61.3
111.08073	3.6
117.07026	8.9
118.16797	1.4
119.08595	14.9
121.10146	18.0
123.08049	1.9
123.11720	8.2
125.09651	11.9
129.07007	2.3
131.08594	11.8
133.10138	13.7
135.11722	13.4
137.09615	3.3
137.13231	3.7
139.11227	2.4
143.08562	3.3
145.10133	8.1
147.08095	1.8
147.11673	8.4
149.13275	11.6
155.10687	3.8
157.10097	3.1
159.11705	8.8
161.13280	5.2
163.14847	4.0
165.12643	1.3
171.11749	2.1
173.11726	16.1
173.13292	6.8
175.14790	1.8
177.12743	1.5
185.13342	1.8
187.14832	2.9
189.11232	7.5
197.13335	1.6
199.05264	1.4
213.16568	1.8
227.12793	9.8
229.14384	32.3
230.14824	1.8
231.15976	1.7
243.21107	4.4
259.20694	3.8
261.22131	24.6
272.99173	1.5
317.24713	4.4
335.25781	17.3
356.19916	1.5
379.29810	3.2
397.31042	7.1
415.31885	5.7
433.33078	4.9
439.15012	2.1
466.22308	1.6
471.34872	2.7
489.29041	1.9
489.35886	29.3
507.36804	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2722
Annotation	Amoritin
Peak:m/z	Relative Intensity
53.03958	2.3
55.05510	10.2
55.25145	1.7
57.03442	10.0
67.05508	43.6
69.07085	8.5
69.07414	1.8
69.57519	1.5
70.90836	5.2
75.04488	2.1
79.05499	22.5
81.07059	41.2
83.08625	4.9
91.05485	11.5
93.07059	23.3
95.08610	28.6
98.98470	60.4
105.07027	10.1
107.08585	10.5
109.10166	11.8
116.99504	2.5
117.06996	2.8
119.08546	5.8
121.10138	8.2
123.11681	4.4
126.91126	1.7
131.08557	5.7
133.10161	5.8
135.11708	6.2
145.10106	3.1
147.11649	5.6
149.13271	4.7
155.01018	5.6
159.11710	4.3
161.13287	4.9
169.10002	1.7
173.02113	12.0
173.13280	3.0
240.39290	1.7
243.21111	4.9
261.22229	6.7
317.24753	6.4
333.08496	1.9
335.25815	100.0
336.26163	3.9
505.78763	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	507.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.3
55.05519	9.0
57.03439	4.0
57.07064	2.9
67.05180	2.0
67.05509	29.7
69.07072	9.0
70.06576	3.8
71.08640	1.9
72.08162	100.0
73.07870	1.5
73.08492	20.4
77.61346	1.3
79.05501	17.7
81.07056	26.4
82.07385	1.8
83.08609	4.5
90.09205	3.3
91.05474	11.1
93.07056	22.0
95.04993	2.4
95.08058	2.1
95.08620	23.0
97.06519	2.7
97.10157	1.4
98.20748	3.9
98.97877	2.3
98.98475	35.6
104.10742	2.1
105.07043	9.0
105.80014	1.3
107.08600	12.0
109.10150	9.4
117.07031	3.5
119.08608	7.0
121.10149	8.9
123.11731	3.5
131.08586	4.1
133.10152	4.9
135.11711	9.0
137.13229	1.7
145.10136	3.8
147.11679	5.1
149.13246	4.0
155.01080	10.6
159.11716	2.0
161.13315	2.8
163.14825	1.6
170.05780	4.8
173.02145	4.9
173.13194	2.8
175.14825	2.0
184.07454	2.3
187.14833	2.8
243.21135	4.2
247.05809	2.3
261.22293	7.2
317.24954	6.6
335.25812	55.9
337.27356	4.6
338.27750	16.6
375.90674	1.6
418.68872	1.7
471.25134	3.4
507.33386	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	506.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.6
55.01847	5.0
55.05505	20.6
57.03438	5.8
57.07069	13.7
59.04995	10.6
60.08178	5.7
61.02943	5.3
67.05512	100.0
68.05845	4.7
69.03408	6.6
69.04545	4.2
69.07081	24.1
70.80588	9.9
71.05003	5.2
72.08139	4.8
79.05497	30.6
81.03426	5.7
81.07063	98.5
82.07396	5.9
83.08627	19.6
85.02914	6.6
85.06560	5.9
86.09699	14.8
91.05483	29.9
93.07058	32.5
95.04956	7.2
95.08613	71.4
97.06515	7.4
97.10186	8.1
98.98472	29.8
99.08101	9.0
101.46507	5.4
104.10732	16.4
105.07050	14.2
107.08598	22.5
109.10165	31.5
111.08184	5.3
111.11773	5.9
113.09679	4.2
117.06991	5.5
119.08589	16.5
121.10164	26.1
122.10376	5.5
123.11703	18.9
125.00067	6.0
127.11208	7.8
133.10150	23.2
135.11736	21.4
137.13261	24.7
147.11629	14.8
149.13287	10.4
151.14848	14.4
161.13280	16.6
173.11700	5.0
175.14911	6.7
184.07301	23.0
204.44257	4.3
213.46872	4.6
217.19537	75.0
235.20596	76.3
309.24185	18.3
333.24338	9.1
334.24622	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	506.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	3.0
54.51658	1.5
55.01850	1.6
55.05507	6.4
57.07069	6.0
59.05005	3.3
61.02914	2.1
65.03934	1.7
66.05964	1.6
67.05500	12.9
68.05038	9.0
69.03072	1.6
69.03419	8.0
69.07064	6.0
70.06601	39.2
71.22948	3.3
79.05499	21.1
80.05032	3.8
81.07061	23.0
82.06603	4.2
83.04960	5.2
84.08144	19.2
85.06558	2.8
91.05491	27.4
93.07052	38.1
94.06573	2.6
95.04989	7.3
95.08607	18.5
96.08144	20.6
97.06541	4.8
98.06081	2.6
98.21004	1.9
100.07639	25.6
103.05455	3.3
105.04530	3.4
105.07037	65.3
106.06572	3.8
107.08605	16.2
108.08116	11.6
109.06528	6.6
109.10192	6.7
110.09697	5.2
114.05530	10.2
115.05458	3.6
117.07032	11.4
119.08596	44.7
120.08125	13.4
121.06516	6.7
121.08879	2.0
121.10153	14.3
123.08065	15.3
125.06030	6.1
128.06221	5.6
128.07091	34.5
129.07036	12.0
130.07840	3.2
131.08566	16.3
132.08119	3.6
133.09183	2.8
133.10129	16.1
134.09689	10.6
135.08051	10.9
135.11739	3.9
136.11240	5.3
137.09644	14.2
139.07585	1.9
141.07037	5.7
142.07776	17.7
142.08652	2.1
143.08585	21.8
144.09361	5.9
145.10150	22.7
146.09692	5.2
147.08064	26.1
147.10501	1.9
147.11697	3.9
148.11229	16.2
149.09604	2.1
149.12050	2.8
150.12801	2.9
151.07526	9.4
154.08650	54.2
154.09831	3.2
155.08545	12.1
156.09352	8.5
157.08836	2.2
157.10139	39.0
158.10983	2.4
159.08127	1.8
159.10483	2.5
159.11674	14.9
160.11244	9.8
161.09679	5.4
161.13286	4.8
162.12781	11.9
163.11221	6.1
164.07062	3.7
165.09120	60.2
167.08591	3.5
168.09302	3.8
169.10144	12.9
170.10941	6.1
171.11708	12.7
172.11256	5.0
173.09718	2.6
173.12006	1.9
173.13338	3.1
174.12802	11.4
176.14351	2.4
177.09172	2.0
178.08656	9.3
181.10139	3.7
181.12311	6.6
182.10957	2.5
183.11684	13.9
184.11156	2.8
185.13255	20.1
186.12860	6.2
187.11272	2.4
188.14406	5.1
189.12796	3.4
190.15953	2.6
191.10623	2.3
192.10231	1.9
193.11078	3.2
194.11812	29.2
195.11707	3.9
196.12566	3.6
197.13329	3.6
203.14319	18.2
206.11792	3.0
207.11813	3.4
207.13820	5.0
209.13297	4.1
211.11362	2.7
211.14894	7.6
212.14461	2.6
213.12930	2.0
213.16566	3.4
216.10307	3.9
218.11769	3.7
220.13354	14.0
221.15382	100.0
225.12607	2.2
226.16074	4.1
228.17493	11.5
232.13411	6.6
234.14925	4.8
247.17041	4.1
254.19089	20.5
272.16434	11.6
281.19186	2.4
282.22305	3.0
287.20123	12.4
298.18146	9.0
299.20157	7.3
326.21158	8.7
335.20145	1.8
365.24777	10.1
370.27710	3.0
382.27560	1.9
391.26437	3.8
393.28070	8.2
426.26196	11.1
444.32767	5.8
446.16977	2.4
462.33701	31.6
488.31631	4.1
506.32767	94.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	11.0
57.07059	6.5
59.04996	3.7
67.05512	21.4
68.05023	15.9
69.03432	5.4
69.07073	10.4
70.06600	100.0
70.28388	3.3
77.54683	3.6
79.05503	26.3
80.05016	9.2
81.07066	35.8
82.06586	12.2
83.04946	7.0
84.08141	11.9
85.06540	5.0
86.96290	3.2
87.04446	3.2
91.05487	37.4
93.07045	40.1
94.06561	5.9
95.04948	10.9
95.08619	19.8
96.08141	23.2
97.06490	4.5
98.06052	7.9
100.07628	42.7
103.05497	3.6
105.04553	3.4
105.07043	91.8
106.06537	9.4
107.08592	39.1
108.08116	8.7
109.06530	10.9
109.10151	20.4
110.09735	4.5
111.08109	4.4
114.05518	15.3
116.07072	4.6
117.07045	16.6
119.08595	64.4
120.08092	13.9
121.10152	20.2
122.09646	4.1
123.08073	7.4
125.06009	4.7
128.06219	9.8
128.07080	70.2
128.34602	3.6
129.06163	3.3
129.06972	19.7
130.07771	8.0
131.08566	30.6
132.08112	6.2
133.10135	22.5
134.09650	12.1
135.08055	8.8
136.11183	4.5
137.09607	7.4
141.07016	10.9
142.07758	19.1
143.08574	38.7
145.10136	55.5
146.09549	4.1
147.08028	10.0
147.11687	9.5
148.11229	23.5
149.09720	5.1
149.12042	3.8
151.07562	5.4
153.07045	4.5
154.07739	3.5
154.08681	34.0
155.08600	12.8
156.09373	11.3
157.10144	44.9
159.11696	10.7
160.11212	25.5
161.09666	6.3
161.13333	4.0
162.12798	10.8
163.11143	6.5
164.07106	5.4
165.09126	23.7
168.10332	9.6
169.10179	21.0
170.10954	4.1
171.10468	3.4
171.11699	19.1
172.11194	4.4
173.13297	11.7
174.12802	7.4
178.08760	4.9
179.08508	7.6
181.10165	14.1
181.12253	5.8
183.11707	27.1
185.13274	13.9
187.14815	4.4
192.09802	3.4
193.10095	8.2
194.11812	46.9
195.11754	10.0
197.13257	10.3
199.14932	4.2
201.03708	10.1
203.05290	29.9
203.14362	10.9
204.05611	14.4
206.11684	4.7
207.11696	12.0
207.13564	4.0
207.58603	3.3
209.13290	13.9
211.14842	6.2
216.10393	4.0
218.11787	5.6
218.31644	3.8
220.13219	12.7
221.13358	7.1
221.15364	35.9
223.14787	4.0
226.16020	6.6
228.17456	5.4
232.13313	3.9
233.13223	3.6
234.83365	3.8
250.52014	3.8
254.19028	8.1
256.13297	4.4
263.17883	4.3
272.16473	7.3
284.16483	3.8
298.18076	10.3
326.21204	14.4
328.23004	3.8
347.55109	3.7
365.24551	4.9
370.27310	8.2
379.26636	4.4
414.26385	26.2
446.17426	6.7
462.33694	50.8
488.31509	3.8
506.26630	54.9
506.33350	26.9
527.67029	4.0
534.76318	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	506.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.7
55.05508	11.1
56.05014	2.9
57.07063	3.2
59.05010	4.7
67.05513	23.2
68.05032	14.6
69.03412	7.1
69.07067	13.4
70.06601	81.6
70.71944	7.4
71.20391	3.3
72.08160	4.0
75.55159	2.8
79.05485	27.0
80.05020	8.7
81.07061	24.6
82.06570	8.7
83.04975	10.9
83.08614	9.2
84.08141	7.2
85.06538	6.6
86.09705	12.5
90.59647	2.9
91.05481	36.5
93.07047	35.7
94.06590	6.0
95.04971	14.3
95.08603	16.2
96.08138	16.4
97.06489	3.8
98.06068	5.7
100.07621	46.4
103.05457	3.5
104.10725	4.5
105.07041	86.5
106.06557	7.9
107.08598	26.2
108.08114	10.6
109.06510	9.0
109.10176	13.0
114.05524	19.8
115.05460	4.7
116.07076	17.0
117.07022	18.6
119.08587	43.5
120.08097	14.9
121.06509	13.3
121.10140	28.7
122.09702	5.0
123.08103	3.2
125.00053	4.1
125.09653	5.3
128.06227	17.6
128.07097	66.9
128.07976	6.2
129.06978	20.1
130.07816	10.5
131.08569	31.1
132.08069	3.8
133.10118	21.3
134.09688	12.4
135.08025	8.4
135.11713	4.4
136.11235	8.0
137.09654	4.0
141.07019	11.0
142.07722	25.9
142.08522	4.5
142.08762	6.4
143.08568	44.5
144.08195	3.9
144.09335	9.8
145.10143	41.2
146.09656	5.3
147.08121	4.1
147.11751	8.3
148.11214	23.3
149.09578	14.5
153.07069	4.4
154.08727	25.6
155.08595	12.6
156.09389	8.8
157.08934	5.3
157.10136	41.2
158.09673	3.4
158.10881	7.2
159.08073	13.1
159.11697	15.0
160.11255	15.6
161.09616	4.5
162.12796	6.4
163.11195	5.7
165.07043	6.7
167.08626	10.8
167.10696	9.8
168.10339	4.8
169.10136	26.5
171.11717	21.2
172.11214	7.4
173.13300	13.4
174.12831	10.9
178.08690	9.1
179.08604	10.5
181.10123	9.3
182.10980	4.8
183.11728	30.6
184.07359	31.4
184.11243	3.4
185.13303	9.7
186.12869	3.6
187.14845	3.0
188.14334	3.5
189.12779	3.8
192.09401	5.9
193.10144	8.6
194.11888	32.4
195.11665	15.6
197.13263	15.9
199.14932	4.5
205.10091	3.5
206.11000	5.9
207.11688	19.4
208.12592	8.1
209.13283	19.0
211.14893	6.6
215.14435	5.7
217.15982	4.3
218.11597	7.1
218.64661	3.2
219.11974	6.4
220.13251	13.0
221.13286	11.6
223.14938	12.1
226.15889	5.9
231.11787	5.3
232.13266	4.9
233.13318	10.0
233.15443	52.9
233.17551	4.7
234.14085	3.8
235.14880	11.5
236.15550	3.1
245.13342	5.6
247.14862	12.6
249.16393	8.0
257.13284	3.6
258.14911	6.3
259.15103	10.6
261.16629	4.9
263.17947	9.6
265.19611	4.9
271.15485	3.8
272.16391	5.4
279.53613	3.6
281.18951	4.5
284.16592	7.4
285.16534	4.3
299.17850	4.6
307.20712	4.6
329.22626	3.4
330.20575	3.6
352.26483	5.1
375.26889	4.3
396.25262	26.8
414.26334	46.0
426.31531	6.3
470.30597	8.5
488.16208	3.5
488.31769	84.8
506.25247	5.0
506.32773	100.0
507.29031	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.6
55.01872	3.1
55.05513	12.8
57.07075	8.6
59.04991	4.4
61.02936	3.5
67.05511	20.0
68.04706	2.6
68.05033	13.0
69.03445	11.5
69.07067	10.2
70.06601	86.3
71.04978	2.4
72.08170	5.0
79.05505	32.4
80.05022	8.7
81.05820	2.3
81.07063	33.2
82.06601	5.1
83.05007	7.8
84.08144	21.6
85.02927	3.4
85.06546	4.5
89.06057	3.6
91.05489	41.4
93.07050	52.3
94.06589	2.5
95.04987	10.9
95.08597	24.0
96.08133	28.6
97.02924	4.5
97.06542	4.9
98.06075	3.3
100.07623	45.3
103.05482	5.5
105.07038	100.0
105.26916	2.6
106.06586	8.7
107.05038	3.2
107.08590	30.4
108.08146	14.6
109.06547	9.7
109.10147	16.0
110.09711	6.4
114.05528	14.8
115.05458	6.6
116.07101	2.9
117.07058	16.2
119.08591	58.6
120.08115	13.9
121.06516	5.7
121.10172	24.8
122.09711	4.9
123.08080	9.9
125.06004	5.9
127.11067	2.4
128.06236	10.8
128.07095	69.1
129.06999	19.5
130.07803	7.6
131.08568	26.0
132.08107	4.8
133.06447	2.4
133.10138	26.3
134.09671	19.9
135.08078	10.6
135.11694	5.9
136.11209	10.8
137.09639	14.6
139.07581	2.6
141.07043	9.2
142.07782	22.1
142.08698	4.2
143.08580	38.0
144.08284	2.8
144.09378	8.9
145.10132	50.0
146.09677	9.1
147.08051	26.1
147.10550	3.1
147.11720	8.9
148.11188	20.8
149.09641	6.3
150.12822	4.2
151.07600	8.3
152.07024	3.1
153.07062	3.4
154.08672	45.9
155.08594	16.4
156.09360	15.3
157.10146	51.2
157.11349	4.3
158.09703	3.4
159.08058	3.4
159.11681	22.5
160.11247	22.9
161.09665	5.1
161.13292	3.6
162.12851	12.0
163.11234	9.9
165.09135	57.3
167.08624	6.9
168.09230	5.6
169.10106	19.0
170.10934	6.1
171.11717	22.5
172.11223	6.8
173.09569	4.3
173.13318	8.4
174.12750	13.3
175.11249	3.8
175.14900	4.8
178.08698	10.4
179.08638	6.3
181.10181	6.2
181.12234	6.6
183.11763	26.3
185.13281	17.2
186.12808	6.8
187.11230	3.1
188.14436	4.3
193.10181	4.4
194.11826	50.3
195.11734	9.5
197.13333	9.7
201.16544	2.6
203.14383	21.5
206.11781	3.9
207.11801	6.2
207.13875	6.6
208.12590	2.5
209.13310	9.1
211.14899	9.8
212.14253	2.9
214.15994	3.8
218.11688	4.8
219.12546	3.2
220.13356	16.7
221.15385	86.0
222.14124	2.5
223.14885	4.3
224.14410	3.0
225.11298	2.7
226.16026	3.8
228.17532	10.3
232.13220	7.4
233.13228	2.4
234.14905	5.2
235.14774	3.3
237.16396	2.7
238.16113	3.3
247.17078	4.6
249.16846	2.9
254.19017	17.3
265.08743	2.5
272.16455	12.7
282.22189	3.9
287.20224	9.2
298.18106	14.7
299.20139	6.7
315.67337	2.4
320.18918	2.4
326.21237	7.2
365.24908	8.1
370.27649	4.0
391.26337	3.7
393.28033	8.5
414.26666	11.6
426.26382	8.7
444.32693	6.2
462.33688	44.5
506.32776	86.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.5
56.05028	0.6
58.06601	0.4
60.07888	0.4
60.08167	5.9
65.32242	0.3
66.64947	0.3
67.05505	1.5
69.07053	0.8
71.07382	3.3
71.50794	0.3
79.05515	0.6
81.07053	0.8
86.09712	30.3
91.05467	0.3
93.07058	0.4
95.08601	0.7
98.98479	3.1
104.10764	2.2
105.07079	0.4
125.00016	21.0
184.07356	100.0
185.07735	0.5
215.94521	0.3
243.29639	0.3
262.59216	0.4
382.47275	0.4
460.10593	0.4
488.31390	0.9
506.32263	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	506.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.3
55.05518	6.9
57.03437	3.7
57.07063	9.3
59.04990	10.1
62.34061	2.4
65.03947	2.7
67.05497	15.9
68.05027	10.0
69.03436	10.8
69.07066	6.5
70.06599	57.1
71.04998	3.0
71.88396	2.4
72.08170	3.6
79.05500	21.3
80.05025	4.0
81.03399	2.9
81.07058	30.1
82.06586	3.7
83.04993	4.3
84.08151	20.6
85.02898	3.5
85.06540	4.0
86.09711	5.6
91.05489	34.9
93.07053	38.5
94.06605	3.0
95.04947	7.8
95.08610	19.5
96.08142	18.1
97.06528	5.5
98.97546	2.8
100.07619	27.9
103.05463	3.9
105.07030	78.6
106.06580	3.3
106.07277	2.5
107.08600	16.1
108.08118	10.0
109.06516	7.9
109.10155	10.4
110.09668	6.5
111.08045	2.5
114.05528	13.6
115.05461	4.1
117.07006	12.0
117.07892	2.1
119.08590	42.4
120.08124	15.6
121.06519	7.4
121.10135	14.5
122.09663	3.5
123.08062	10.8
125.05987	3.3
128.06232	6.9
128.07082	40.5
129.07027	15.5
130.07787	4.9
131.08575	21.0
132.08080	3.9
133.10133	19.8
134.09671	10.4
135.08035	10.1
135.11629	3.3
136.11234	7.3
137.09604	18.1
141.06976	6.2
142.06808	3.2
142.07716	16.7
143.08560	26.6
144.09369	3.7
145.10138	23.1
146.09647	4.1
147.08057	33.5
147.10539	3.8
147.11708	8.1
148.11192	25.3
149.09505	3.0
149.11961	2.7
151.06407	3.3
151.07553	8.1
154.08641	53.7
155.08540	11.7
156.09373	8.6
157.08957	4.7
157.10138	41.7
158.10977	2.6
159.11703	20.0
160.11203	8.0
161.09589	5.3
161.13275	8.0
162.12787	11.6
163.11188	12.1
164.07094	4.3
165.09113	58.2
168.09216	3.6
169.10165	14.0
170.10934	3.4
171.11688	16.4
172.11288	3.7
173.13289	3.7
174.12802	11.3
178.08662	6.4
181.10121	5.8
181.12292	6.1
183.11732	14.7
184.07297	4.0
185.11896	3.2
185.13239	18.0
186.12834	6.5
188.14339	7.4
189.12625	4.8
194.11801	37.2
195.11667	4.4
197.13327	4.1
199.11217	3.3
203.14301	24.2
207.11913	3.0
207.13852	7.2
209.13228	5.4
211.14844	7.9
212.03935	2.8
216.10054	4.0
220.13326	15.6
221.15373	100.0
223.14780	4.0
228.17500	11.6
229.56792	2.8
232.13367	7.9
234.14912	8.6
247.16982	4.1
254.19101	13.1
272.16388	11.5
281.19220	4.2
282.22174	3.6
287.20013	12.6
298.18091	15.3
299.20178	3.4
313.21640	3.3
326.21176	8.8
365.24783	9.6
370.27350	2.9
391.26224	6.5
393.27969	8.1
414.26486	3.1
426.26486	15.1
444.32529	6.0
462.33676	35.8
488.31790	5.7
506.19559	8.8
506.32880	87.2
506.70044	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	506.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19030	0.2
51.81044	0.2
55.05520	1.8
56.05038	1.1
56.24121	0.2
57.03426	0.8
57.05817	1.1
59.67202	0.2
67.05505	4.6
69.07070	2.1
70.06596	3.9
71.04068	0.2
71.04391	0.5
72.08157	100.0
73.08497	0.2
79.05492	1.3
79.81078	0.2
81.07058	3.8
83.04981	0.2
83.08630	0.9
90.09196	4.2
91.05459	1.0
93.07046	1.2
95.08599	3.0
95.58077	0.2
97.10193	0.5
105.07059	0.7
105.78674	0.2
107.08626	0.9
109.10154	1.2
112.05116	0.2
119.08615	0.4
121.10162	0.9
123.11739	0.4
133.10155	0.5
135.11732	0.4
147.11716	0.3
149.13226	0.3
170.05777	4.3
170.07094	0.3
184.07224	0.3
244.09557	0.9
335.25937	0.8
337.27386	17.4
338.28015	0.4
344.28143	0.9
488.31625	1.3
506.32422	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26981	0.5
51.22219	0.5
52.10269	0.4
53.03941	1.3
55.01878	0.6
55.05514	14.0
56.05053	0.5
57.03438	7.8
57.05822	0.6
57.07075	2.1
57.35664	0.6
65.03951	1.1
67.05506	31.4
69.03431	0.6
69.07070	19.1
70.06584	1.7
71.04995	0.8
71.08638	0.8
71.29968	0.6
72.08157	64.6
78.70526	0.4
79.05497	9.2
79.05921	0.9
81.07059	30.2
83.04974	1.1
83.08619	9.8
85.06519	1.1
91.05485	4.9
93.07043	8.6
95.04983	0.7
95.08611	24.3
97.06534	1.9
97.10184	4.0
98.98473	0.6
99.08096	0.8
105.07034	4.7
107.08604	4.8
108.12033	0.4
109.06530	0.4
109.10158	8.3
109.10837	0.7
111.08089	1.0
111.11722	0.8
119.08581	3.1
121.10146	3.3
123.11715	2.6
125.09633	0.6
133.10143	3.1
135.11699	1.8
135.55452	0.5
137.13260	1.6
147.11665	2.2
149.13269	0.9
151.14775	0.6
153.44757	0.4
161.13301	1.4
163.14827	1.3
170.05779	57.3
175.14839	0.9
180.16147	0.4
184.07431	0.5
188.01814	0.4
244.09570	0.6
263.23740	1.4
335.25867	0.9
337.27368	100.0
338.27625	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50921	1.6
53.03962	1.3
55.05515	8.9
58.99580	8.1
59.05003	4.3
67.05506	7.4
69.07053	5.5
69.38676	8.0
69.39102	3.4
70.06593	13.8
71.05010	8.5
72.08160	8.9
76.02235	13.3
79.05508	12.6
81.07066	19.6
83.08637	1.5
84.04503	4.7
84.08141	5.6
85.01161	1.4
85.06531	5.1
86.09699	7.4
86.99047	5.9
87.04456	5.7
88.03995	2.9
88.18703	1.6
91.05492	19.1
93.07053	29.3
95.04992	6.3
95.08062	2.3
95.08614	28.4
97.02885	2.1
97.06538	2.2
99.08055	1.6
103.07584	2.7
105.00079	6.9
105.07039	72.0
107.08594	16.9
109.06516	5.9
109.10158	3.8
111.02688	5.0
111.08092	14.5
113.09656	11.5
117.07021	6.2
119.08588	40.8
119.09409	1.4
120.08061	2.6
120.52287	1.4
121.09338	2.8
121.10160	40.9
122.02740	94.8
123.08119	1.6
123.11696	3.3
129.10242	2.6
131.08575	22.6
132.01167	3.6
133.10120	5.3
135.08023	2.9
135.11647	3.1
136.07614	2.3
137.09607	6.3
145.10124	34.1
147.11703	100.0
149.09610	3.5
159.11676	7.6
161.13272	6.7
163.11160	4.2
163.14822	6.8
177.12674	2.3
179.08870	2.8
187.14836	45.0
205.15887	35.2
214.43637	1.7
268.13672	1.9
274.04486	2.0
308.16785	1.9
326.17856	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	505.353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	15.6
56.05036	6.2
67.05507	16.8
69.03454	5.0
69.07077	16.0
69.35365	38.9
70.06599	100.0
71.04990	5.4
72.08160	39.5
79.05484	15.1
79.86849	4.9
81.03429	6.7
81.07070	58.1
83.04979	16.0
83.08640	8.6
84.04507	18.0
84.08160	50.1
85.02911	11.4
86.09715	87.8
87.06227	4.6
91.05484	31.5
93.07048	37.7
95.04971	7.7
95.06103	5.9
95.08607	64.6
97.06554	5.1
99.04412	4.4
103.05466	5.0
105.07041	76.1
107.08599	48.9
109.06540	4.6
109.10175	24.5
112.11279	9.0
116.07079	6.5
117.07012	13.8
119.08591	86.6
120.08109	29.0
121.06553	12.4
121.10151	44.9
123.08109	8.9
123.11710	19.3
126.00184	5.1
129.10255	21.2
131.08577	52.3
133.10149	43.4
135.11717	21.3
136.07594	20.9
137.06039	9.8
143.08574	18.1
144.09375	7.5
145.10147	98.6
147.11714	43.3
149.09569	4.6
149.13277	22.7
155.08275	4.6
157.10135	20.0
159.09238	7.2
159.11700	63.7
161.09584	5.6
161.13281	28.5
163.11182	5.5
163.14862	15.2
169.10167	8.1
170.10944	7.8
171.11668	13.9
173.13297	68.0
175.14825	50.1
177.12810	6.6
177.16389	25.4
183.11609	5.7
185.13248	20.9
187.14819	74.5
189.16371	31.6
191.14314	20.7
191.17966	8.5
193.15793	8.4
197.13303	6.4
199.14873	27.2
201.16373	35.4
203.06946	5.2
203.14348	24.3
203.18013	12.9
205.15897	86.1
206.12500	4.8
209.15413	6.0
213.16367	14.5
215.14105	8.7
215.17960	6.7
217.15958	6.4
219.17514	23.1
221.15422	9.8
223.16991	5.6
229.15538	27.0
231.17487	10.1
247.16853	6.2
263.14026	11.8
265.17981	10.3
301.90848	5.8
309.11313	4.5
324.16974	4.7
377.32230	9.0
393.31683	18.4
395.32782	6.5
405.31686	12.3
407.33298	5.6
411.32462	14.4
423.32544	22.9
439.32291	9.7
441.33777	10.9
451.32147	20.6
469.33170	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	505.2778
Annotation	Mellerin B
Peak:m/z	Relative Intensity
50.96417	0.6
56.26177	0.6
61.81206	0.6
67.05489	1.6
69.03408	0.8
70.06366	2.7
76.05585	0.8
81.07056	1.5
93.07043	0.9
95.04945	0.7
95.08597	0.8
98.20779	0.9
105.07094	0.7
117.07012	0.7
117.52124	0.6
119.08617	0.8
121.10133	0.8
133.10233	0.8
136.62810	0.6
147.11739	0.8
182.99181	0.7
201.03708	22.3
203.05273	79.4
244.08040	0.9
315.06747	0.7
325.21396	22.9
327.22952	8.8
343.21213	6.0
361.22318	2.4
385.22083	1.7
403.23691	0.9
500.10590	0.6
505.27731	100.0
506.27884	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.2
55.01864	1.8
55.05511	13.8
55.56941	0.7
57.03421	1.3
57.07078	18.7
59.04997	1.1
62.93475	0.7
67.05507	20.7
69.07072	12.8
69.35612	0.7
69.84768	3.4
71.04992	1.8
71.08633	11.3
71.26057	0.7
79.05495	12.6
81.03421	35.2
81.07056	21.3
83.04981	2.8
83.08620	20.2
84.08915	0.9
85.02906	0.9
85.06535	1.0
85.10184	7.2
91.05480	12.1
93.07044	9.3
95.04969	9.3
95.08611	17.3
97.02903	0.7
97.06559	2.0
97.10168	7.9
97.67367	0.9
99.08065	1.0
105.07038	7.0
107.04945	2.6
107.08589	4.2
109.06525	1.3
109.10153	8.1
111.08060	4.1
111.11708	2.0
117.07011	1.9
119.08573	6.8
121.06493	1.2
121.10146	5.5
123.11725	3.3
125.09644	1.5
125.13306	1.0
129.07019	3.9
131.08575	3.0
133.10136	3.1
135.11691	2.9
137.13280	1.6
142.07771	0.9
145.10117	1.5
147.08046	1.2
147.11700	3.8
149.09677	0.9
149.13286	1.8
151.14874	0.8
157.10138	3.5
159.11760	1.4
165.12746	0.8
175.11229	3.2
177.12701	1.1
178.95625	0.8
189.11169	0.9
193.12248	17.9
195.09908	11.5
229.14243	0.9
239.23695	3.1
249.14896	2.8
251.12581	4.8
261.22137	0.8
311.25754	2.6
417.16931	1.1
429.17581	1.0
445.20099	5.5
446.20697	2.4
496.02563	0.8
505.23486	12.8
505.34155	100.0
506.34512	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	505.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98328	0.7
55.05504	0.6
67.05518	0.8
68.56643	0.6
69.33179	5.9
70.06598	1.2
72.08170	0.8
74.62538	0.6
77.94219	0.7
79.05473	0.7
81.07059	1.9
91.05495	1.1
93.07030	1.1
95.08608	1.3
98.21632	0.6
105.07035	1.2
107.08585	1.1
119.08570	1.3
121.10131	1.1
128.07091	0.9
133.10106	1.2
135.11716	0.7
139.45151	0.6
145.10144	1.2
147.11681	0.8
152.21307	0.6
159.11707	0.8
163.03888	0.7
165.65881	0.7
184.43922	0.6
201.03712	21.3
203.05276	75.6
204.05647	0.9
222.08224	0.8
325.21411	30.1
327.22964	9.5
329.96878	0.6
332.43256	0.7
343.21558	2.4
387.86075	0.8
502.31912	0.8
505.27740	100.0
506.27432	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2648
Annotation	Foliasalacioside D
Peak:m/z	Relative Intensity
55.05503	14.6
56.05033	11.7
63.66595	4.3
67.05505	10.9
67.74540	5.2
69.03425	6.6
69.07066	11.8
70.02950	5.5
70.06601	100.0
71.04984	6.1
71.50790	7.2
72.07885	3.7
72.08167	39.4
79.05503	6.9
81.07058	14.3
82.06619	7.1
84.04514	19.3
84.08156	37.1
85.02919	7.4
85.08504	6.0
86.09713	73.4
91.05470	10.8
93.07054	14.0
95.08619	12.0
102.05550	9.7
103.05455	6.9
104.05342	8.5
105.07056	12.9
107.08588	14.4
109.10171	33.5
110.07178	7.0
111.08063	5.3
116.07103	16.9
119.08585	18.8
120.08114	63.5
120.33828	4.8
121.10163	10.5
122.21752	4.9
123.08117	5.2
123.11600	4.5
129.10251	16.3
130.04875	4.9
131.08577	5.5
133.10141	14.2
135.11697	39.6
136.07640	9.9
137.05988	13.7
145.10161	10.7
147.04436	6.1
153.51639	4.8
155.08607	7.7
168.47348	4.4
169.09958	4.7
175.14874	16.4
193.14441	4.6
193.15826	23.5
197.12958	7.5
211.16963	46.3
217.13715	6.7
229.15448	16.0
245.13210	6.9
249.12366	9.7
262.05295	5.5
263.13824	11.6
277.11832	13.1
277.14938	5.5
325.17181	5.1
487.22278	13.0
489.51196	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.9
56.05043	15.9
57.05801	0.5
58.06610	0.6
60.04528	1.0
60.98332	0.6
61.01160	5.1
62.60612	0.5
67.05503	0.5
69.03435	0.6
69.07075	6.4
70.06602	14.6
71.06919	0.8
71.16055	0.7
71.16381	0.6
72.08164	4.7
74.06092	1.9
84.04517	7.4
84.08154	5.8
86.09718	100.0
87.05600	0.6
87.10033	2.8
91.05501	1.0
93.07030	0.6
98.06066	0.9
100.07635	1.9
101.07178	0.7
102.05553	2.9
104.05346	28.1
110.07198	2.0
112.08723	0.9
112.11258	1.0
115.08673	1.0
116.07118	1.4
120.08120	2.9
124.11265	1.8
125.07107	0.5
128.10826	0.6
129.10258	3.4
130.05037	3.2
140.07085	0.7
145.02965	0.5
148.06079	10.3
155.11751	0.6
156.07680	1.1
158.08171	1.1
163.03894	0.6
164.07104	0.6
167.08104	0.6
169.13373	3.3
172.11569	0.8
173.12910	2.2
199.18083	20.3
201.12434	1.0
215.13994	1.2
217.13823	2.0
227.17569	19.1
231.09784	2.3
242.15042	0.6
243.13496	1.0
244.13486	1.2
245.13425	2.8
279.10129	35.6
358.21692	1.7
392.18774	1.0
410.75342	0.5
505.21960	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	504.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.4
55.05516	1.3
56.05037	1.1
57.03435	1.1
57.05824	0.7
59.04986	0.4
64.38195	0.3
66.58304	0.3
67.05514	5.1
69.07071	1.3
70.06601	3.9
71.51094	0.5
72.08163	100.0
73.08504	0.6
79.05496	2.9
79.98681	0.3
81.03440	0.5
81.07066	4.0
83.08632	0.8
86.09744	0.4
87.37797	0.3
87.76826	0.3
90.09205	4.1
91.05462	1.6
93.07057	2.9
95.08617	2.9
98.98469	1.6
99.33301	0.4
105.07064	1.2
107.08625	1.5
109.06523	0.3
109.10197	1.2
117.07021	0.4
119.08617	1.3
121.10168	0.8
123.08099	0.6
128.91891	0.3
131.08611	0.5
133.10162	0.8
134.10458	0.3
135.11659	0.6
145.10158	0.7
147.11734	0.6
161.13339	0.3
170.05786	4.1
179.14464	0.4
180.37308	0.3
215.69763	0.3
244.09566	1.0
259.20505	0.4
263.33737	0.3
332.26630	1.6
333.24396	0.5
335.25836	15.6
336.25977	0.4
354.20099	0.3
406.30652	0.8
486.29553	1.7
504.20938	0.4
504.30884	1.3
533.55414	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
53.49158	0.6
55.05516	9.1
56.05022	0.6
57.03447	8.7
57.07059	1.3
63.48561	0.7
65.03927	1.3
67.05510	36.8
68.05804	0.7
68.64360	0.6
69.07071	8.8
69.26701	1.4
69.27090	6.4
70.06576	2.1
72.08160	68.5
79.05498	19.0
81.07059	26.4
81.07533	1.7
83.08642	3.9
83.53500	0.6
88.43232	0.8
91.05482	10.3
93.07056	20.4
95.04941	1.1
95.08612	24.7
97.06516	1.3
97.10145	0.9
98.21508	1.8
98.98476	1.8
105.07053	5.2
107.08609	8.1
109.06512	1.5
109.10168	7.5
113.00031	1.7
117.07030	2.2
119.08590	4.0
121.10144	7.0
123.08057	0.8
123.11718	2.7
126.01066	0.6
131.08569	2.4
133.10117	2.1
135.11690	2.5
140.64957	0.7
145.10175	1.3
147.11708	1.9
149.13251	1.5
156.08913	0.8
159.11682	1.1
161.13284	1.3
165.94484	0.8
168.83969	0.8
170.05783	53.4
171.68092	0.7
180.14850	0.9
244.09618	0.8
332.26614	1.5
335.25815	100.0
336.26154	1.9
392.29102	1.0
507.92697	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71235	0.6
53.03368	0.7
53.03954	3.6
55.01883	2.5
55.05516	3.1
56.05034	3.7
57.03457	1.6
60.04538	3.2
67.05509	3.5
68.05044	1.7
69.03441	5.2
69.07071	1.7
70.06596	17.9
70.10534	3.2
71.04996	1.5
72.07756	1.5
72.08160	30.6
73.08497	1.6
74.06090	2.9
77.03944	1.1
79.05498	3.7
80.05024	0.8
81.03426	9.9
81.07072	0.8
82.06589	1.3
83.05002	0.9
83.06115	1.2
84.04508	18.4
84.08149	27.3
85.02904	5.6
85.04868	1.0
85.08470	0.7
86.09709	15.2
87.05592	1.8
87.10021	1.0
91.05483	12.9
93.07053	24.8
93.07645	1.4
94.06583	5.8
95.04980	12.8
96.04494	3.2
97.02910	7.8
97.06564	0.9
98.06073	2.9
99.04474	6.1
99.12694	0.7
101.07150	2.0
101.10807	1.1
102.05550	3.0
103.05463	4.6
105.04527	2.4
107.04957	6.7
109.02898	4.9
110.06037	2.8
110.07201	1.7
111.04449	0.8
112.03235	1.5
112.03970	18.4
112.07608	2.6
114.05539	7.9
115.08693	1.8
116.07026	1.1
120.08099	3.2
121.06512	100.0
122.06042	6.8
122.06834	1.6
123.04433	11.8
124.07570	1.0
125.06025	1.0
127.03915	5.3
129.10248	10.3
130.04999	5.8
130.08585	0.9
136.07552	1.0
138.05513	1.0
138.12773	1.0
139.07584	1.4
140.07068	38.4
141.05452	1.9
141.58864	0.8
142.08679	1.1
145.04962	1.9
147.04355	0.8
147.07672	5.1
147.11304	0.9
149.05994	26.8
158.08136	28.5
158.09430	1.9
159.07690	1.2
159.11295	4.0
163.03918	0.8
167.07048	28.2
176.09190	40.7
177.06622	1.1
182.39468	0.7
183.14938	1.8
185.08084	5.4
187.07303	0.8
187.10709	2.9
197.16501	1.2
199.05019	1.0
213.06583	2.2
218.10310	0.9
228.17079	0.8
228.67972	0.8
235.09232	1.5
241.05992	1.4
245.94591	0.9
254.13829	0.7
258.08777	8.8
266.10245	1.6
286.17819	1.6
293.10056	0.9
311.11307	8.5
329.12375	7.0
341.25427	1.3
424.77469	1.2
425.27325	0.9
450.17004	1.3
468.18222	1.2
486.19617	4.8
503.81049	3.7
504.20370	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.8
55.01875	3.3
55.05514	45.2
57.03434	1.7
57.07084	14.2
65.03945	1.2
67.05511	14.5
69.03428	2.5
69.07073	44.4
70.63614	2.3
71.04983	1.2
71.08633	9.1
79.05497	13.9
81.03423	100.0
81.07063	14.0
83.04982	3.9
83.08622	53.5
85.06576	0.7
85.10188	3.6
91.05489	18.6
93.07045	8.7
95.04973	26.8
95.08601	4.3
97.02888	1.8
97.06554	1.7
97.10173	31.7
98.98474	1.0
102.31695	0.7
105.07031	14.8
107.04973	6.7
107.08601	4.6
109.06540	1.7
109.10171	2.4
111.04462	1.6
111.08090	7.0
111.11729	9.5
115.05481	2.1
117.07072	1.9
119.04925	1.3
119.08597	11.0
121.06517	3.0
121.10143	5.5
123.08081	1.7
125.09721	0.9
125.13247	3.6
128.06216	0.8
129.07011	12.1
131.08578	9.5
133.06534	2.8
133.10139	4.3
135.11693	0.9
137.09628	1.7
137.53354	0.7
141.64464	0.7
142.07820	2.7
145.10126	1.3
147.08087	2.7
147.11688	8.1
149.09662	4.0
157.10126	11.6
161.91199	0.7
165.12764	2.1
175.11191	11.5
175.12607	1.1
192.58334	0.7
193.12257	40.3
199.69957	0.9
231.13551	0.9
237.22180	2.5
249.14856	9.4
425.51129	0.9
503.37411	84.4
504.37839	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53402	0.7
53.03948	7.2
55.01872	2.8
55.05516	43.5
57.03441	2.3
57.07080	16.7
58.61103	0.8
59.05007	4.0
65.03950	2.1
65.17902	0.7
67.05509	17.1
69.03430	1.8
69.07073	43.2
71.04991	1.0
71.08636	10.4
79.05499	16.5
81.03425	100.0
81.07064	17.7
83.04973	4.9
83.08627	49.7
83.96732	0.9
85.10178	4.3
91.05494	20.6
93.07047	9.9
95.04977	24.8
95.08614	4.9
97.02914	3.4
97.06506	1.3
97.10184	31.8
99.08111	1.1
105.07032	14.8
107.04965	4.7
107.08607	4.2
109.06541	3.4
109.10163	2.7
111.04435	2.6
111.08095	8.3
111.11730	12.9
115.05453	1.9
117.07011	2.1
119.08588	12.2
121.06508	2.6
121.10124	5.6
123.08130	1.7
123.11683	1.0
125.09718	1.0
125.13294	2.3
128.06247	1.2
129.07007	9.6
130.21028	0.8
131.08586	8.0
133.06502	2.5
133.10133	4.4
135.11641	1.0
137.09657	1.7
142.07784	3.9
145.10146	2.5
147.08054	2.9
147.11691	5.6
149.09637	4.5
157.10136	8.6
163.09070	0.8
165.12767	1.8
175.11221	10.7
176.34319	0.8
193.12263	37.6
205.12390	1.0
222.82095	0.8
237.22264	2.3
249.14825	6.2
343.51749	1.0
383.25040	0.9
472.78766	1.0
503.37424	74.4
504.37921	2.1
527.52850	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2107
Annotation	LY223982
Peak:m/z	Relative Intensity
55.05513	0.6
56.05033	0.5
69.07051	0.8
69.58086	2.2
69.65338	0.4
70.06599	3.9
71.06914	0.4
72.08170	2.6
79.05502	0.4
81.07047	0.5
84.04515	2.9
84.08152	2.5
86.09725	6.1
93.07056	0.3
98.20806	0.9
99.20258	0.4
102.05547	1.2
102.23735	0.3
107.08593	0.5
115.02418	0.4
115.08919	0.3
116.07117	0.5
120.08133	1.0
129.10246	1.4
132.10242	0.5
133.03477	1.7
136.07565	0.5
136.35428	0.3
137.05988	3.3
143.01912	1.2
161.03030	1.2
175.04654	0.4
175.07607	1.1
183.05133	0.5
197.12914	1.4
199.04633	0.4
201.06100	0.4
205.10812	0.7
208.27443	0.4
211.04553	0.5
211.08258	0.6
213.09665	0.5
215.13921	0.9
223.11845	2.4
225.12402	0.6
231.08641	1.0
239.11316	1.0
241.12920	1.5
243.13474	1.5
249.09727	3.9
251.10822	0.5
257.12405	0.8
267.10825	10.3
285.11871	8.4
285.14801	0.6
286.29922	0.4
303.12964	1.0
311.12689	0.6
323.13205	0.6
327.12979	0.5
341.14929	3.7
450.69330	0.4
485.19302	1.2
503.20859	100.0
504.21082	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	503.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01875	1.0
55.05500	3.0
56.05031	1.6
57.03444	1.3
60.04526	1.1
61.02933	0.9
65.03934	1.3
67.05485	1.8
68.05015	1.0
69.03448	3.5
69.07057	2.5
70.02945	0.9
70.06596	14.4
71.05003	0.9
71.06947	1.0
71.49870	1.1
71.74805	0.7
72.08160	27.9
73.04777	0.8
73.08482	1.9
74.06060	0.9
79.05500	7.6
80.05003	0.9
80.05820	1.6
81.03423	4.5
81.07047	2.0
82.03759	1.0
83.04964	0.8
84.04519	6.9
84.08144	13.3
85.02918	6.0
85.08456	0.8
86.09711	23.3
87.04456	0.7
87.05578	1.4
87.10042	2.9
88.04005	0.9
89.06055	1.2
91.05467	7.2
92.05810	0.9
94.04177	3.9
95.04979	1.6
97.02900	2.7
97.06516	1.5
98.06059	2.9
99.04454	1.2
102.05552	4.2
103.05451	1.9
104.06280	1.0
105.07037	7.8
106.07359	0.7
107.04967	3.0
107.08588	6.9
108.05270	1.2
108.08931	3.1
109.02864	2.2
109.06531	3.1
109.10200	1.1
110.07167	1.4
110.53786	0.8
111.04494	0.9
112.08737	0.7
115.05446	4.2
115.08741	0.8
116.05813	1.3
116.07095	1.7
117.07027	3.6
118.07355	2.2
119.04939	1.3
119.08577	1.3
120.08105	2.6
121.06450	0.7
122.03654	7.2
123.49272	0.8
124.07594	1.7
125.06002	7.1
126.06345	2.4
127.03922	2.0
127.08641	0.8
128.06235	1.8
129.06944	2.2
129.10254	6.8
130.04922	1.2
131.04958	2.0
132.05713	2.6
133.06497	4.6
133.08630	0.7
135.08058	30.5
136.07437	1.4
136.08406	17.3
137.05984	100.0
137.09587	1.6
138.06299	1.1
141.06941	0.7
142.08632	16.7
143.04935	1.2
143.08974	6.0
143.11926	0.8
145.06490	1.1
147.04468	3.6
147.08028	3.5
148.06154	0.7
149.05948	1.7
151.07539	0.8
155.04883	0.8
155.11784	0.8
157.06509	0.6
159.08113	1.5
159.09233	0.8
160.05234	1.9
160.09708	9.1
161.05986	13.2
161.10031	3.7
162.07678	1.5
163.07550	12.2
164.07912	8.7
165.09218	1.2
167.05640	1.2
167.08293	0.9
167.11922	0.9
172.05219	1.4
173.12881	1.3
175.06042	1.6
175.07556	27.3
179.07117	0.9
181.08629	5.8
182.08896	4.5
183.11385	1.1
184.07448	1.8
187.07530	8.4
187.10817	1.7
189.06964	1.2
190.07787	2.1
191.08565	7.2
199.07545	7.4
199.17929	0.9
201.12355	2.0
202.07816	3.6
203.08578	4.4
205.06528	1.2
206.11874	0.7
208.08769	0.7
215.10371	1.2
215.13994	1.7
217.08479	0.9
218.07245	1.4
219.08080	10.1
220.08774	3.3
221.09827	0.9
229.11897	1.1
231.08078	6.8
233.09729	0.8
235.07393	1.0
235.11847	0.7
236.08376	1.4
237.08778	0.7
243.13417	2.7
247.07558	4.0
248.08273	3.9
249.09286	1.2
251.10703	13.0
259.07538	2.5
260.08365	1.4
261.09134	1.5
263.07050	0.8
263.10730	3.0
264.07782	1.3
267.10791	1.4
268.16571	0.8
275.15891	0.9
276.07751	1.9
277.08633	2.1
279.10156	10.4
280.11014	1.1
284.16455	0.7
285.11856	0.9
291.10217	7.7
292.10922	2.4
295.13141	1.0
299.06226	1.9
308.10446	1.3
311.12814	22.5
323.12729	12.9
323.16296	1.0
325.12830	1.0
326.13251	2.8
341.13852	0.9
344.14227	2.5
344.97650	0.9
485.20865	2.4
503.21109	9.7
504.25253	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.6
55.05510	0.8
56.05029	0.7
65.03951	1.4
67.05492	0.8
69.03426	2.8
69.07080	0.8
70.06606	6.2
71.46502	0.7
71.50377	1.0
72.08173	4.2
75.93408	0.7
79.05495	1.9
81.03413	1.1
81.07052	1.4
83.04947	0.8
83.06070	0.8
83.53779	0.7
84.04502	5.6
84.08144	3.9
85.02921	6.3
86.09719	12.8
89.05969	0.7
91.05475	4.0
94.04205	3.2
95.04943	1.1
97.02897	1.8
100.78645	0.6
102.05534	2.6
103.05441	2.0
104.06252	1.0
105.07056	6.1
109.06531	2.3
115.05479	4.8
117.07030	1.7
118.04129	0.8
119.04909	1.2
119.08585	2.0
120.08145	1.4
121.06510	1.8
122.03661	7.7
127.03901	1.8
128.06241	2.5
128.68839	0.7
129.06937	1.3
129.10243	2.0
131.04961	1.2
132.05722	2.1
132.10245	1.3
133.03485	1.2
133.06506	3.4
137.05992	100.0
138.06325	2.2
143.04926	1.3
145.06503	1.1
147.04424	1.8
147.08083	3.2
149.06097	1.6
159.08043	2.2
160.05270	1.6
161.05997	13.6
161.07263	1.2
171.07977	1.0
172.05225	1.2
175.07573	30.0
177.05550	1.9
179.07060	1.3
187.07559	8.3
190.07825	2.6
191.08578	7.1
197.12909	2.1
199.07558	9.2
202.07832	2.7
203.08595	6.4
205.06508	1.1
215.13971	2.2
218.07339	2.5
219.08086	9.7
220.08853	2.7
223.11757	2.6
231.08052	6.9
232.08772	1.3
236.08382	1.5
237.09093	1.1
241.12788	1.0
242.74223	0.8
243.13503	4.3
247.07558	5.5
248.08452	1.7
249.09705	3.0
251.07133	0.7
251.08020	1.1
251.10677	11.8
258.10287	0.9
259.07547	4.7
260.08383	1.5
261.08987	1.4
261.14426	1.0
263.10803	2.9
265.08722	1.2
267.10773	6.7
276.07916	1.8
277.08517	2.3
279.10217	10.0
280.10922	1.0
281.08121	1.5
285.11838	4.9
291.10175	8.3
292.11005	2.4
295.09848	1.0
295.13226	1.5
296.10461	1.3
299.06372	0.9
308.10379	1.1
309.11292	1.2
311.12790	21.5
312.72775	0.9
323.12793	12.7
341.14532	2.2
485.18817	0.9
497.10773	0.7
503.20584	29.8
504.20743	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73549	1.1
55.05510	8.0
57.03437	14.6
57.07081	28.5
59.05006	3.7
65.03928	1.8
67.05509	77.3
69.07069	5.2
69.57244	6.1
71.04996	2.4
71.08633	19.1
79.05518	2.8
81.03460	1.3
81.07059	19.1
83.08624	12.7
84.16677	1.1
85.06510	2.0
85.10190	13.0
87.57433	1.2
89.06030	2.4
91.05448	3.6
93.07033	3.3
95.04977	1.2
95.08619	17.0
97.10156	3.5
98.21536	1.4
107.08579	2.5
109.10164	77.7
111.08080	1.8
119.08618	5.5
123.11692	2.5
137.09575	2.0
137.13245	1.2
150.87773	1.2
155.10654	5.2
157.10095	1.2
167.05577	3.1
172.82202	1.1
173.10275	1.5
173.11757	25.5
200.62245	1.2
229.14369	100.0
230.14656	1.4
239.23726	4.5
257.24677	1.5
267.00064	1.2
299.06107	3.0
313.27377	92.7
314.27722	2.2
467.37396	48.8
499.32281	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
55.01870	0.6
55.05268	0.4
55.05513	4.3
56.05038	4.8
57.03438	1.3
57.07063	0.5
58.06593	0.5
60.08154	0.7
64.97952	0.2
65.03947	3.1
67.05506	13.1
69.07071	3.7
69.91376	0.4
69.91771	0.4
70.06591	0.7
71.04984	0.3
71.07377	22.5
72.08109	0.2
72.56910	0.2
79.05497	3.3
81.03422	0.3
81.07058	11.9
83.04986	1.6
83.08614	1.3
84.08144	0.3
86.09708	84.3
87.10054	0.5
90.99503	0.6
91.05475	2.5
93.07047	3.2
95.04987	0.2
95.08611	7.4
97.06515	0.3
97.10167	0.6
98.98470	10.3
104.10754	0.5
105.07043	1.3
107.08602	1.4
109.10159	2.3
111.08077	0.3
111.11718	0.2
116.60487	0.2
119.08582	0.8
121.10126	1.2
123.11734	1.1
125.00009	24.7
129.57362	0.3
133.10133	0.9
135.11722	0.7
137.00006	3.2
137.13269	0.3
143.33897	0.2
147.11757	0.4
149.13306	0.3
151.01559	0.5
153.09512	0.2
155.00995	0.3
161.13272	0.2
163.01559	22.1
163.14842	0.3
181.02600	2.4
184.07346	9.0
240.10017	0.3
263.23413	0.2
307.26202	0.2
314.53329	0.2
419.63297	0.2
443.25580	7.3
502.32925	100.0
503.33313	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	502.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.9
56.05038	3.1
57.05833	1.2
57.07110	0.5
58.06620	0.6
59.05039	0.5
69.03409	0.6
69.07084	3.5
69.14921	5.4
70.02958	0.6
70.06601	10.4
71.27029	0.5
72.08161	76.7
73.08502	0.8
74.06082	4.6
75.61581	0.5
76.50369	0.5
79.05512	1.0
81.03431	0.8
82.06561	0.6
84.04507	6.6
84.08157	5.5
85.02909	0.7
85.08472	0.5
86.09714	100.0
87.10033	1.1
88.03995	0.8
90.95203	0.6
91.05492	1.0
93.07060	0.6
96.04451	0.7
96.08141	0.6
98.06005	1.0
98.20801	1.3
101.06558	0.6
101.07133	2.6
102.05545	2.1
104.10723	1.1
105.06998	0.5
107.08588	1.6
110.09711	0.8
111.05531	0.6
112.04002	1.3
112.08757	0.8
112.11172	0.7
115.05464	0.6
115.08701	1.3
116.03414	0.5
116.07095	1.4
117.10294	0.5
120.08136	2.9
125.00009	1.3
125.05990	1.6
125.07069	0.5
125.10757	2.4
128.10748	1.0
129.06581	0.9
129.10260	4.1
130.04991	2.6
135.08057	5.8
136.07578	0.7
141.10222	0.6
142.08641	3.0
142.12296	5.2
143.08214	1.1
147.07649	1.4
152.10762	2.8
155.11790	1.2
156.10165	0.7
159.07701	0.7
159.09238	0.6
160.09711	1.5
161.09126	0.7
163.07515	2.1
167.08127	0.8
169.13358	1.1
173.12872	5.2
175.10834	1.1
181.08524	0.6
183.11304	1.7
184.07384	5.2
185.16521	9.9
187.14471	5.6
189.12384	7.5
197.12875	23.5
198.60031	0.6
199.18094	0.8
201.12363	4.1
204.14067	0.5
213.15993	9.5
215.11841	2.0
215.13927	7.7
229.11913	2.5
240.09746	0.6
251.17546	1.9
258.10760	1.5
268.20148	1.2
274.17569	0.8
288.19165	5.4
296.19720	32.6
314.17383	1.0
314.20755	12.1
355.26578	0.6
358.98373	2.0
364.07898	0.6
371.22745	0.6
371.95749	0.8
375.98706	1.4
376.99402	0.7
381.28720	0.6
389.17963	0.9
389.23569	0.7
399.29877	4.2
412.20975	0.7
421.16995	0.8
427.29413	2.6
502.01675	1.1
502.32959	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79723	2.8
59.04977	4.4
61.43404	2.4
67.05510	6.5
69.03420	9.9
69.70774	2.9
70.06587	3.1
70.50056	7.0
70.50398	2.8
72.08137	2.8
74.16474	2.4
79.05490	7.1
81.07059	11.0
90.19876	2.5
91.05478	8.3
93.07056	9.3
95.08610	9.2
97.06554	3.1
100.07648	3.8
105.07036	13.0
107.08585	8.5
109.06554	5.0
109.10168	11.4
111.04524	3.1
111.08081	4.0
119.08601	6.3
121.06503	5.8
121.10155	7.7
123.08096	6.3
123.11685	5.3
125.06000	5.4
125.09635	6.2
128.06151	3.4
128.07066	7.8
129.07460	4.3
131.08580	8.4
133.06450	5.4
133.10156	8.8
135.11739	3.9
137.09579	6.1
139.11308	3.7
142.07782	3.5
145.06540	2.7
145.10092	3.6
147.11671	2.9
149.13297	3.5
151.07593	2.9
151.11168	3.6
155.08560	4.3
155.10686	2.9
159.07979	6.4
159.11739	3.3
161.09615	6.1
169.10063	5.0
171.08070	19.7
171.11659	6.4
173.09805	2.8
175.11224	5.0
177.12749	7.8
180.09273	3.1
181.10120	4.2
182.07298	2.7
183.11621	2.8
185.09608	3.9
189.12715	4.3
193.10107	9.6
194.10928	3.7
195.07997	3.3
195.11661	4.8
197.09651	11.0
199.11197	3.2
205.10204	3.2
207.11786	6.2
208.08823	6.0
209.09622	5.3
211.11221	2.9
213.12752	3.1
215.08519	3.6
219.11636	5.1
221.09644	8.6
221.13098	3.1
222.10530	4.4
223.11263	7.4
230.10901	4.6
231.11751	3.1
234.10410	3.5
235.11261	15.1
235.14897	10.0
237.12773	9.7
239.14340	5.3
245.13332	8.6
246.10435	4.1
247.11232	3.8
248.11880	13.7
249.12804	7.2
251.14409	4.1
261.12756	9.6
261.16681	3.4
263.14343	100.0
264.14700	3.6
265.15768	3.5
274.13580	5.4
275.14291	2.9
281.15466	9.1
289.15900	31.1
291.17349	2.7
299.16367	4.5
301.15738	4.3
303.17389	4.2
307.16876	4.7
349.69983	2.9
399.23254	22.2
417.24332	18.5
435.25354	10.5
453.26505	5.8
502.31631	41.4
502.38333	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	502.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
53.25697	0.2
55.05498	0.7
56.05027	0.4
58.06597	2.0
59.04997	0.5
61.39468	0.2
64.48749	0.2
65.34438	0.2
69.07063	0.2
70.06593	2.8
70.39416	0.5
70.39766	0.3
72.04514	1.0
72.08158	10.9
73.06577	0.2
79.05505	0.4
79.50495	0.2
84.04489	0.6
84.08147	4.2
85.02929	0.3
86.09224	0.3
86.09706	4.9
86.76563	0.2
89.06036	0.5
91.05447	0.5
94.04198	0.8
98.08449	0.2
99.06825	1.3
100.07619	9.1
103.05509	0.3
112.11236	2.9
114.09158	0.3
115.08688	0.3
116.07050	0.3
119.04916	0.3
122.03658	2.2
129.10208	0.9
129.13847	0.3
133.08603	0.3
135.08061	0.2
136.07581	0.2
137.05980	100.0
138.06311	0.7
142.08655	0.2
151.07567	1.4
161.05969	0.3
163.06323	0.5
178.08621	1.6
179.07036	14.0
180.07370	0.3
183.11229	0.2
187.14500	0.3
197.12910	0.5
201.12280	1.0
218.11823	0.6
221.10498	0.7
229.11897	1.4
235.14494	1.0
236.12822	56.9
237.13170	0.6
250.14384	4.0
252.79889	0.2
267.17157	0.4
288.19034	0.2
296.19669	0.4
307.20154	1.8
314.20886	0.4
324.22858	0.7
384.58041	0.3
398.95605	0.2
438.60663	0.2
484.28101	0.6
485.26584	1.4
502.29138	77.3
503.20929	0.6
503.29489	1.5
505.84802	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2657
Annotation	Pseudostellarin A
Peak:m/z	Relative Intensity
55.05514	1.5
56.90844	0.8
69.03418	2.4
69.07050	0.8
70.06599	18.1
71.49374	1.4
72.08163	7.5
80.59028	0.7
81.03418	1.1
81.81960	0.9
83.04968	1.0
84.04505	3.0
84.08157	5.6
85.02927	3.7
86.06086	0.9
86.09716	10.6
91.05511	1.5
93.07038	1.0
94.85234	0.7
95.04974	1.3
95.06084	1.0
97.02922	2.0
98.06073	0.9
102.05552	0.9
107.08593	3.2
109.06523	2.9
110.06059	1.0
110.07173	0.8
112.03966	1.4
112.11346	0.9
114.05574	1.7
116.07117	1.2
119.04977	1.1
120.08121	1.2
121.06539	0.9
123.08076	1.1
126.09150	3.5
129.10237	3.4
130.04958	1.4
134.09660	2.6
135.08113	1.0
136.07558	1.1
137.05945	1.3
140.06972	1.2
142.08659	2.2
143.11890	0.9
147.04367	1.1
148.11267	1.0
149.09633	7.6
150.09113	1.3
151.11188	3.6
162.12737	3.9
163.03961	1.0
165.05519	1.3
165.12807	6.5
169.13399	1.7
174.12827	1.7
176.09193	1.9
176.14316	1.4
178.08656	1.4
180.10188	0.7
192.10173	0.9
192.15126	2.1
194.16823	1.1
195.08885	0.9
197.12802	1.1
204.13849	2.2
206.15448	1.1
207.12363	4.8
208.09706	13.5
208.13295	2.0
209.15361	1.9
220.13445	1.8
222.14908	69.7
223.15154	1.3
228.17621	0.9
232.13354	11.1
234.14841	1.3
235.15656	1.4
246.18527	1.1
248.16489	20.3
250.14410	100.0
251.14992	4.3
265.16779	1.2
266.13870	2.4
274.18054	2.2
278.17694	1.0
280.19122	1.3
292.19116	6.0
296.19440	0.8
306.20615	2.9
316.18716	1.6
322.20123	5.2
340.21246	5.7
429.20081	2.2
469.26807	9.2
470.23007	1.5
485.26190	2.3
502.26425	48.0
503.27109	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	502.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.8
55.01878	1.0
55.05503	2.0
56.05024	1.2
57.03436	1.2
60.04522	0.6
61.02920	0.5
65.03931	0.8
67.35252	0.6
68.05018	0.9
69.03416	2.4
69.07054	1.9
70.06599	7.7
71.44527	1.3
72.08164	13.4
74.06087	0.6
79.05499	12.8
80.05032	2.7
81.03423	8.8
81.07056	1.2
82.06586	0.8
83.04993	0.6
84.04497	4.7
84.08160	7.0
85.02917	2.8
86.09708	22.0
87.05590	0.6
88.04018	0.7
91.05485	10.2
93.07025	0.8
95.04967	1.5
97.02905	1.5
97.06522	2.1
98.06069	7.3
99.04456	1.9
102.05540	2.3
105.04525	0.6
105.07044	6.1
107.04958	5.1
107.08599	21.9
109.02884	4.5
109.06516	2.1
110.07151	0.8
115.05460	5.3
115.08660	0.6
116.07090	2.7
116.90607	0.7
117.07014	8.0
119.06069	1.6
120.08114	1.1
123.04408	0.7
124.07628	3.3
124.99993	1.5
125.05999	22.5
125.09632	0.7
126.05560	0.7
127.03951	1.0
129.06595	1.6
129.10251	4.4
132.08173	0.7
133.06503	0.6
135.08061	100.0
137.06009	3.2
142.08641	47.9
143.07022	0.7
146.16376	0.5
147.04433	1.0
147.07661	3.5
157.13400	0.7
160.09712	22.3
163.07547	46.1
170.25929	0.6
175.07524	1.0
181.08607	21.7
184.07343	7.1
185.12874	1.2
187.10835	1.0
199.09677	1.7
201.12462	0.7
212.78267	0.6
215.10405	1.0
215.13950	2.4
232.09711	1.0
240.09862	1.1
243.13457	2.4
250.10744	1.4
251.10751	0.6
258.10901	0.8
260.16068	2.0
260.40305	0.6
325.12823	6.7
343.13907	8.5
412.20895	0.8
466.21042	0.8
484.21777	3.3
502.22879	11.0
502.29559	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	2.5
51.17255	1.4
53.03949	8.3
53.17797	1.1
53.82204	1.4
55.01864	2.8
55.05268	2.0
55.05515	24.8
57.03431	5.3
57.07073	3.6
57.87769	1.2
61.08629	1.2
65.03940	4.9
67.05508	75.9
69.03426	2.1
69.07072	22.1
69.25526	2.1
69.25934	10.3
69.97847	1.2
70.06601	1.8
71.05008	3.8
71.08617	1.7
72.08153	1.5
77.03980	1.3
79.05497	92.4
80.00970	1.4
81.03426	3.8
81.07061	84.3
83.04983	4.9
83.08619	16.5
85.06537	3.6
91.04919	2.5
91.05486	50.9
93.07050	94.5
95.04990	8.7
95.08614	31.9
97.06530	7.3
97.10158	2.4
98.20802	3.0
99.08102	5.7
105.04541	3.2
105.07040	21.9
105.40559	1.2
107.04870	1.8
107.08602	27.6
109.06538	2.4
109.10162	10.0
111.08099	4.6
115.05490	2.0
117.07032	15.1
119.08578	17.3
121.06497	1.4
121.10155	46.9
123.11726	6.9
125.09681	3.4
129.07022	5.2
131.08586	19.4
133.10130	18.1
135.11684	12.1
139.11235	1.8
141.07028	1.9
143.08586	5.2
145.10127	10.5
147.11699	7.2
149.09560	1.4
149.13277	20.7
151.11208	2.5
155.08554	1.8
157.10165	4.9
159.11716	18.5
161.13278	1.9
167.08507	2.0
169.10118	3.1
171.11705	3.2
173.13284	6.6
177.12740	3.1
181.10127	2.0
183.11708	2.2
185.13255	2.8
187.14902	2.6
195.11874	2.5
195.13835	9.5
197.13263	2.0
197.58559	1.3
199.14917	3.0
213.16418	1.5
215.18033	4.8
223.15027	1.7
233.18924	1.4
244.22789	4.6
245.23145	3.6
269.17697	2.3
283.26395	4.3
284.26743	4.1
391.29977	1.6
409.30896	6.8
483.34436	3.8
501.35822	100.0
501.46805	16.8
502.36005	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	501.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	1.4
51.02377	2.0
53.03955	8.5
53.80042	1.1
55.01866	3.5
55.05515	28.2
57.03434	4.9
57.07075	3.2
59.19730	1.3
65.03931	4.2
67.05508	70.8
69.07069	25.2
71.04992	5.0
77.03947	2.0
79.05499	83.3
81.03416	3.5
81.07061	83.4
83.04976	5.1
83.08622	15.2
85.06551	5.3
91.04905	2.1
91.05485	51.7
93.07050	90.8
95.05001	9.0
95.08611	34.8
97.06537	8.0
97.10177	3.1
99.08097	4.5
105.04546	3.5
105.07044	25.9
107.08604	36.5
107.48638	1.2
109.06520	3.1
109.10175	8.4
111.08091	4.8
117.07024	14.4
117.13183	1.1
119.08580	16.5
121.06528	2.0
121.10149	47.3
123.08065	2.5
123.11726	5.7
125.09635	3.4
129.07018	5.3
131.08568	19.0
133.10133	18.5
135.08080	1.6
135.11700	14.0
139.07637	1.3
141.06950	2.1
143.08595	5.0
145.10146	12.4
147.04433	1.9
147.11707	6.8
149.09647	2.4
149.13261	26.2
149.67639	1.3
151.11189	2.1
155.08559	2.8
157.10136	6.9
159.11719	16.7
160.60106	1.2
161.13271	2.9
169.10168	3.9
171.11771	4.5
173.13216	6.6
175.19774	1.4
177.12796	3.8
183.11723	3.2
185.13335	4.6
187.14850	3.5
195.11862	2.1
195.13844	11.7
197.13332	1.6
199.14799	2.3
215.18071	4.1
229.08360	1.3
229.66725	1.2
233.19055	2.2
269.17502	2.7
391.29980	2.6
409.30890	8.3
427.31909	2.5
445.33444	2.0
483.34595	3.4
501.35791	100.0
502.35852	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	501.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.9
54.10884	4.0
55.01875	11.6
55.05503	13.0
55.38305	3.8
57.03433	3.4
57.07071	5.1
61.02931	8.3
62.87564	3.9
67.05515	26.2
68.99786	5.6
69.03437	26.9
69.07088	27.3
70.06546	5.5
71.04986	14.8
73.02927	6.1
79.05505	26.9
81.03419	34.6
81.07062	72.5
83.04957	10.5
83.08607	13.7
85.02905	13.3
86.09731	3.7
87.00830	13.7
91.05490	27.1
93.07057	35.8
95.04968	17.1
95.08611	47.4
97.02898	11.0
97.06509	7.2
97.10174	8.3
98.20719	8.8
99.04428	5.7
99.08080	5.4
105.07045	49.2
107.04968	12.6
107.08599	37.1
109.02878	4.7
109.06506	9.7
109.10164	42.1
111.04411	11.2
111.11690	5.1
117.07003	10.1
119.04929	5.4
119.08587	51.9
121.06499	9.1
121.10158	28.9
122.05912	4.2
123.04402	5.3
123.08070	4.6
123.11701	16.2
125.09705	5.8
126.09909	3.6
127.03932	5.9
127.11189	25.8
128.06221	6.9
129.01842	4.3
129.07002	15.2
131.08577	32.5
133.06490	5.1
133.10120	32.9
135.11671	14.3
137.09608	7.3
137.13263	7.5
141.07008	6.1
142.07819	9.6
143.08612	30.2
143.10707	6.3
145.06445	9.5
145.10139	39.0
147.08049	7.3
147.11742	19.4
149.13249	10.4
151.11153	4.3
155.08551	20.4
157.10120	39.9
158.10950	5.4
159.08064	5.4
159.11702	42.3
161.09660	5.8
161.13245	11.0
163.11250	4.0
163.14835	11.0
165.07005	4.8
167.08566	7.8
169.10152	25.1
171.11707	31.9
173.09608	6.2
173.13298	19.9
175.11201	5.0
175.14830	5.7
177.16469	8.0
181.10139	12.6
182.10989	5.9
183.11697	21.9
185.09682	6.0
185.13326	18.0
187.11234	6.0
187.14857	10.1
189.04106	4.3
189.09126	7.4
189.12776	6.9
189.16371	7.8
191.10646	5.2
193.10117	11.4
195.11682	20.5
197.09647	5.2
197.13342	19.4
199.11185	9.9
199.14771	18.2
201.16393	12.0
207.11827	9.1
209.13264	13.9
211.11232	10.2
211.14841	17.3
213.16379	18.4
215.17996	9.1
221.13350	8.6
223.14827	17.4
225.12703	6.7
225.16382	14.6
227.14281	8.4
227.17952	7.8
235.14786	10.9
237.12697	5.5
237.16521	7.8
239.14307	9.7
239.18004	8.4
249.16423	8.4
251.17979	6.0
263.14502	5.5
263.17838	4.4
265.16016	4.8
267.21066	4.7
269.22650	10.5
275.17902	7.6
281.22690	7.1
283.24304	8.7
285.21881	6.4
291.20804	5.0
293.18912	10.7
293.22266	5.5
295.20862	8.0
295.24103	6.9
299.23868	6.4
307.24246	6.2
311.23611	10.8
313.97827	4.3
323.23682	5.1
337.25299	5.5
355.26230	8.3
361.25266	14.1
379.26428	49.4
397.27313	39.5
415.28607	4.4
465.26318	8.0
483.27283	24.1
501.28531	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12247	4.4
53.03951	8.5
55.01871	8.2
55.05522	24.6
57.03442	11.1
57.07082	5.8
57.13077	4.3
59.04996	8.2
65.03934	5.1
67.05511	52.3
68.99776	5.9
69.03441	55.4
69.07079	29.8
70.06603	8.7
71.04993	9.8
71.49438	4.0
71.50192	5.2
72.08157	11.2
79.05501	49.3
81.03426	33.0
81.07072	94.3
83.04988	15.5
83.08599	11.2
84.08144	11.5
85.02916	42.3
87.00842	26.3
87.61946	4.3
91.03968	5.2
91.05486	47.8
93.07047	86.9
95.04995	18.1
95.08615	77.7
97.02895	21.4
97.06555	9.7
97.10195	10.8
99.04453	8.6
103.03957	7.2
103.05499	5.1
105.01910	7.1
105.07043	84.4
107.04980	6.8
107.08608	61.7
109.02890	8.5
109.06513	16.0
109.10168	55.1
111.04453	16.2
111.08070	6.3
115.03918	7.1
117.07030	14.9
119.08595	81.6
120.08051	6.0
121.06513	11.5
121.10156	54.3
123.04468	7.5
123.08045	7.1
123.11727	21.4
127.03912	14.9
128.06203	8.9
129.01825	7.6
129.07040	11.9
130.07806	6.0
131.08597	35.3
133.06577	8.1
133.10147	43.8
134.93967	5.0
135.08092	8.7
135.11726	26.9
137.05901	5.4
141.07005	5.3
142.07748	8.3
143.08617	31.1
145.10124	40.4
147.08125	6.2
147.11684	30.5
149.13277	22.5
154.07838	5.5
155.08568	16.9
156.09346	5.1
157.10147	47.0
158.10983	5.4
159.02934	7.1
159.11734	55.1
161.13301	28.0
163.14882	19.1
165.08980	4.8
167.08604	6.9
168.09331	8.9
169.10193	25.0
171.08159	5.0
171.11696	38.1
173.09619	8.3
173.13261	40.2
175.11232	9.3
175.14854	18.0
177.16399	7.1
181.10155	12.8
183.11716	16.5
185.09697	10.5
185.13338	24.8
187.14859	20.3
189.03912	6.2
189.09142	7.2
189.16417	11.9
194.10956	5.1
195.11749	15.9
196.12419	7.6
197.13258	18.0
199.11169	9.2
199.14774	24.8
201.16454	16.2
209.13263	13.0
211.11311	5.6
211.14873	16.4
213.12628	6.3
213.16377	27.5
215.14359	6.5
215.17984	9.5
221.13254	8.7
223.14880	11.6
225.16405	13.2
227.18013	15.6
229.19511	6.0
237.16373	11.0
239.17949	11.7
241.19543	9.9
251.18002	7.8
253.19572	6.8
255.13817	6.3
255.21062	6.0
265.19537	11.8
267.21146	8.4
269.22659	49.5
271.24289	10.7
281.22672	18.2
283.24219	14.2
293.22757	13.1
295.24255	18.1
303.51492	5.5
307.24387	8.5
311.23575	11.2
337.25333	6.9
361.25348	13.7
379.26437	37.0
397.27396	27.1
414.31326	6.0
457.29446	7.3
483.27545	37.0
501.28442	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.1
55.01863	8.6
55.05512	22.5
57.03422	5.9
57.07069	5.6
59.05009	9.1
61.02925	8.1
65.03945	5.3
67.05508	40.3
68.99783	5.5
69.03435	48.6
69.07079	29.2
70.95050	9.4
70.95396	4.7
79.05500	31.5
81.03425	14.3
81.07060	86.1
83.04970	12.2
83.08630	8.3
85.02908	30.1
87.00818	25.4
91.05495	44.3
93.07055	60.6
95.04971	16.5
95.08616	80.7
97.02898	14.6
97.06551	6.6
97.10188	5.9
98.59886	4.5
99.04444	7.3
105.07036	74.3
107.04939	7.4
107.08601	68.5
107.26517	4.2
109.02895	8.7
109.06509	9.0
109.10175	49.4
111.04436	6.7
115.03941	4.7
115.29935	4.8
117.07005	15.0
119.08598	72.8
121.06517	5.7
121.10165	44.5
123.04424	6.8
123.11706	19.8
127.03912	13.6
128.06236	7.6
129.01860	5.7
129.06987	13.2
131.08566	42.4
133.10153	42.9
135.04427	4.3
135.08060	6.1
135.11716	31.4
137.13280	9.1
142.07791	8.2
142.37840	4.6
143.08582	28.0
145.10135	56.5
147.11717	31.1
149.09711	6.0
149.13263	30.3
155.08502	10.4
156.09419	6.6
157.10147	39.3
159.02908	5.6
159.08073	8.3
159.11707	51.9
161.09653	8.3
161.13234	30.4
163.14851	12.6
169.10146	18.4
171.08086	6.0
171.11732	30.3
173.09636	7.1
173.13283	33.3
175.14807	14.4
177.16359	7.8
179.08501	5.3
181.10060	8.7
183.11740	20.0
185.09615	4.9
185.13287	28.2
187.11136	5.9
187.14833	17.1
189.12732	4.4
189.16431	16.6
193.10191	5.3
195.11717	15.3
197.13290	17.0
198.14055	5.4
199.11250	5.6
199.14806	22.6
201.03900	5.4
201.16385	14.5
203.17984	8.5
207.11749	5.6
209.13303	15.6
211.14850	18.7
213.16409	20.1
215.17982	10.8
223.14815	8.8
225.16397	15.5
227.17912	16.1
229.19531	9.3
235.14870	7.7
239.18039	7.1
241.19482	10.9
243.21065	5.6
249.16515	5.6
253.19516	8.7
255.21046	12.6
257.22714	8.9
261.16302	5.7
265.19507	8.0
267.20984	10.1
269.22653	40.6
281.22714	25.8
283.24194	22.1
293.22571	9.8
295.24323	11.3
296.19812	5.0
299.23709	10.3
307.24088	5.3
311.23737	13.0
337.25302	6.3
343.24457	6.6
355.26321	12.7
361.25266	14.3
365.60379	5.2
379.26392	42.7
397.27374	25.7
457.29422	4.7
465.26340	13.3
483.27396	33.1
501.28592	100.0
501.44339	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	500.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98770	1.1
55.05274	2.1
55.05515	28.1
57.03434	16.7
57.07075	12.8
59.05005	5.8
67.05507	100.0
69.07072	29.7
71.04987	3.7
71.08641	6.3
79.05490	4.8
81.07063	19.2
83.08160	1.7
83.08625	27.5
85.06543	3.5
85.10179	2.6
91.05481	8.4
93.07047	6.4
95.04980	1.3
95.08608	10.2
97.06506	2.1
97.10168	18.0
107.08622	3.7
109.10160	84.5
111.08064	3.0
111.11755	6.0
119.08621	6.6
119.09378	1.3
121.10184	3.2
125.09606	1.3
137.09612	2.8
144.67171	1.3
155.10666	8.6
156.02138	1.3
173.11752	22.0
229.14355	97.7
283.26508	1.3
303.41934	1.3
311.25812	75.9
465.35803	64.3
466.36298	1.9
500.46893	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	500.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03717	7.9
55.05492	14.1
64.94466	8.7
67.05504	33.4
69.03433	17.1
69.07084	18.9
71.49734	13.6
79.05489	35.7
81.06651	11.2
81.07076	100.0
83.98939	8.5
85.02901	15.3
85.75371	8.4
91.05485	21.6
91.91016	8.6
93.07071	68.6
93.24103	8.3
94.34713	8.3
95.04962	12.5
95.08626	57.0
97.06544	15.0
105.07044	60.4
107.08601	47.0
109.06548	10.3
109.10152	37.8
114.53023	8.9
119.08603	46.2
121.10151	66.5
123.08083	36.6
123.11761	10.4
125.09631	11.9
131.08604	23.6
133.10144	33.0
135.11743	19.4
137.09615	11.2
143.08543	17.2
145.10127	22.5
147.11655	30.7
149.13297	20.1
157.10162	19.7
159.11723	25.2
161.13252	23.5
169.08574	39.1
169.09973	15.9
171.08061	63.4
173.13208	12.1
187.14867	9.4
189.16371	13.3
196.08815	15.3
197.09552	12.5
201.16399	13.8
211.11261	17.8
229.19470	15.6
239.14590	10.2
265.15970	36.4
269.18985	15.1
274.62891	11.0
291.17484	27.0
344.65128	16.9
401.24783	20.6
419.25812	30.2
437.27081	18.9
437.32544	10.6
500.34033	75.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	9.0
67.05484	18.2
67.52618	6.6
69.03422	13.6
69.03799	6.0
69.07080	7.3
69.34035	15.5
69.34451	37.6
70.06602	8.5
73.99364	5.9
79.05488	21.4
81.03428	15.4
81.07047	25.5
83.08628	7.4
86.00652	6.2
86.81337	6.0
91.05479	23.2
93.07050	13.6
95.04987	7.9
95.08601	12.5
97.10178	6.2
98.20794	14.3
105.07028	24.6
107.08590	24.4
109.06570	6.3
109.10167	20.6
111.08057	6.8
119.08608	12.7
120.09017	6.1
121.06490	8.2
121.10143	14.3
123.08127	6.7
123.11734	7.0
131.08591	8.0
135.11743	6.6
143.08572	18.8
145.10155	14.7
147.07954	6.6
157.10043	7.9
169.10130	11.2
171.08069	40.6
175.11188	10.2
177.12700	7.6
183.11671	12.2
193.12321	8.6
197.09650	26.5
197.13301	7.7
198.13731	6.6
208.08926	8.3
209.09583	11.0
211.11198	9.8
223.11205	13.9
251.14308	8.9
263.14215	11.6
265.15884	38.8
283.16949	22.3
291.17459	38.5
373.25171	10.9
401.24835	29.8
419.25766	23.4
437.26764	13.2
500.33960	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62954	9.3
53.79591	10.3
55.05525	11.8
67.05490	23.7
68.54082	10.2
70.81156	25.2
79.05480	21.8
81.07070	27.7
95.08623	25.7
105.06998	11.3
107.08595	25.1
109.10149	47.4
109.48119	11.0
119.08572	11.7
121.06525	17.3
125.09692	12.8
155.10628	16.3
171.08018	57.1
195.08046	10.9
197.09607	27.7
202.40099	10.7
208.08868	12.3
211.11182	21.8
221.09633	19.4
223.11134	29.3
225.12589	11.7
261.12781	35.1
263.14365	25.3
265.15790	14.4
275.14252	11.5
279.13852	18.3
291.17471	19.0
379.94431	11.2
401.24905	22.1
411.50497	11.4
419.25635	21.7
437.26697	29.9
441.07480	10.3
451.24591	14.7
455.27988	100.0
500.33713	86.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30177	11.6
55.05514	22.6
67.05497	38.4
68.20521	13.3
69.07072	20.9
71.50436	16.1
71.50815	13.7
71.94528	11.0
72.39721	11.0
73.83125	13.5
79.05495	41.0
81.07066	85.0
91.05470	27.4
93.07038	100.0
95.08630	66.6
97.06528	15.1
105.07030	42.2
107.08593	53.8
109.10151	43.5
119.08571	37.2
121.10121	78.2
131.08595	20.2
133.10126	29.6
135.11647	22.6
145.10135	13.8
147.11688	20.9
149.13261	59.6
157.10098	13.7
159.11621	21.2
161.13301	14.9
163.14745	16.8
172.99402	12.8
173.13234	16.3
173.15648	15.4
189.16365	21.7
199.18095	14.5
303.23199	18.6
501.06223	12.8
509.33453	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	500.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.1
55.05499	17.0
57.02008	3.1
57.03440	4.3
57.07069	3.2
57.70562	3.3
59.04985	16.1
60.80080	4.0
67.05500	26.1
69.03423	8.3
69.07076	17.3
71.04990	4.0
71.50609	6.3
76.99815	3.6
77.32146	3.5
79.05502	32.3
81.03420	6.3
81.07058	100.0
83.08607	8.9
83.13755	3.2
85.02889	16.6
86.09706	6.1
91.05483	25.9
93.07049	60.4
95.04953	5.9
95.06056	6.2
95.08614	51.5
97.02900	5.2
97.10197	4.7
99.71073	3.2
103.05446	4.8
105.07037	69.9
107.08601	51.6
109.06541	5.1
109.10162	27.6
117.06999	4.3
118.96937	3.3
119.08584	52.9
121.10153	61.8
123.11708	15.8
128.06223	4.6
131.08600	20.0
133.10155	25.2
135.08115	4.0
135.11688	10.0
142.07808	5.0
143.08560	8.0
144.09436	3.8
145.10172	21.3
147.11697	24.8
149.13243	25.6
151.66377	4.5
155.08606	6.7
157.10136	9.8
159.11685	28.1
160.98026	3.6
161.13245	21.7
163.14743	7.5
169.10133	7.4
171.11670	6.3
173.13297	18.0
175.14868	8.9
183.11607	4.3
185.13232	9.1
187.14877	11.2
189.16435	17.8
197.13345	6.0
199.14900	4.8
201.16304	6.2
203.17929	7.3
211.14865	8.9
215.18050	6.7
225.16452	7.7
227.17970	11.1
229.19572	13.1
257.22641	4.6
267.21222	5.0
303.23343	5.0
441.44507	3.9
500.31973	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	499.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.0
55.01859	4.4
55.05513	23.8
57.03427	4.4
57.07068	2.1
58.06588	1.8
63.36218	0.9
65.03928	3.5
67.05510	43.6
69.03426	2.7
69.07068	10.0
71.04993	1.1
71.51232	1.5
73.40634	1.0
77.56837	1.1
79.05498	45.8
81.03426	49.6
81.06593	1.9
81.07063	36.9
83.04982	6.9
83.08625	18.1
85.02910	1.4
85.06539	2.5
91.05486	35.0
93.07051	39.4
95.04976	17.0
95.08614	20.4
97.02879	1.4
97.06535	2.7
97.10176	15.3
99.08097	2.1
105.04559	1.4
105.07034	27.6
107.04957	5.5
107.08599	18.8
109.02823	1.2
109.06516	2.7
109.10158	13.1
111.04448	1.7
111.08080	6.1
115.05471	1.7
117.07027	13.1
119.04942	1.0
119.08587	18.1
121.06516	2.6
121.10151	20.5
123.04408	2.1
123.08064	3.2
123.11700	2.9
125.09623	11.4
128.06186	1.3
128.92958	1.0
129.07021	12.5
130.07858	1.2
131.08554	17.9
133.06482	1.8
133.07457	1.0
133.10123	13.1
135.08051	4.6
135.11700	8.2
137.09615	2.9
141.06990	2.8
142.07721	2.0
143.08559	8.9
145.10120	13.6
147.08070	1.9
147.11702	10.4
149.09608	3.1
149.13255	3.7
153.09026	1.5
155.08551	4.7
157.10144	11.5
159.11702	12.5
161.13240	4.2
163.11179	2.5
165.12762	1.2
167.08583	2.5
169.10106	6.9
171.10416	1.4
171.11737	7.9
173.13286	8.4
175.11189	5.7
175.14789	2.2
181.10086	3.1
181.12010	0.9
183.11725	6.5
185.13322	5.4
187.11234	1.4
187.14796	3.4
189.11165	7.3
189.16528	1.1
193.12245	23.7
195.11696	2.9
197.13283	4.4
199.14835	4.6
207.11734	2.3
209.13290	2.1
209.22919	1.2
211.14816	2.9
213.16374	2.8
215.17981	6.8
221.13193	1.4
223.14832	2.7
233.19022	4.4
235.14949	1.3
236.14888	4.7
237.15097	1.9
239.18008	1.2
243.17604	1.2
249.14850	2.7
253.19560	1.7
255.21164	2.7
267.15845	6.2
270.64957	1.0
271.20627	1.6
273.22189	3.2
309.22064	1.7
313.21735	1.9
322.78925	1.1
327.23114	1.4
348.62228	1.0
389.28366	3.4
407.29504	14.5
425.30518	8.6
443.31656	5.7
453.52515	1.0
481.32803	2.1
499.34134	100.0
500.34503	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	499.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.1
53.03952	4.9
55.01860	4.4
55.05517	24.0
57.03429	3.6
57.07058	2.1
59.04995	3.4
65.03935	3.8
67.05511	45.8
69.03420	3.6
69.06738	0.9
69.07070	10.1
71.04983	2.8
71.50429	1.2
77.03928	1.8
79.05496	45.3
81.03423	57.1
81.06592	1.9
81.07061	35.9
82.97244	1.1
83.04982	4.4
83.08627	19.3
85.02897	1.4
85.06552	2.3
86.09734	1.0
88.87399	1.0
89.06036	1.0
91.05488	37.8
93.07050	40.9
95.04984	17.6
95.08615	19.0
97.02912	1.8
97.06529	3.6
97.10184	12.1
99.08083	3.5
103.05486	1.8
105.04560	1.4
105.07036	26.3
107.04939	4.6
107.08601	19.1
109.06525	3.2
109.10172	14.7
110.91789	1.0
111.04444	1.7
111.08092	6.9
113.05996	1.1
115.05408	1.9
117.07027	14.2
119.04969	0.8
119.08588	24.6
121.06514	4.3
121.10161	22.5
123.04371	1.3
123.08109	2.6
123.11759	1.9
125.09644	11.0
128.06252	2.4
129.07014	13.5
131.08574	20.1
133.06525	1.7
133.10147	13.8
135.08101	3.2
135.11713	9.6
136.35400	1.1
137.09628	3.9
141.06990	4.0
142.07852	2.3
143.08565	8.5
144.09367	1.5
145.06499	1.2
145.10141	15.7
147.08034	3.1
147.11699	11.0
149.09605	3.5
149.13269	3.1
151.11235	1.8
153.09120	2.1
155.08591	6.2
157.10143	11.6
159.11703	10.9
161.13252	3.4
163.11198	1.5
165.07104	1.3
167.08583	1.4
169.10115	6.6
171.10268	1.8
171.11713	8.1
173.11890	1.4
173.13274	7.5
175.11209	4.0
175.14861	1.6
181.10132	1.7
183.11717	7.4
184.07373	2.3
185.13284	5.3
187.11191	1.5
187.14789	2.6
189.11206	6.5
189.12718	1.2
189.16469	1.9
193.10573	0.9
193.12254	24.4
195.11674	2.4
197.13220	5.6
199.14841	3.1
207.11852	1.4
209.13283	2.2
211.14854	1.3
213.16402	2.1
215.17992	4.3
221.13287	1.8
223.14969	1.5
225.16364	1.4
227.12674	1.8
233.19034	3.8
235.14809	1.6
239.17937	1.4
243.17619	1.0
249.14912	3.5
253.19629	1.9
255.21063	3.3
257.19012	1.3
263.17865	1.1
267.15912	4.0
271.20535	1.6
273.22171	3.3
299.20062	1.2
309.22110	1.1
313.21713	1.9
323.23767	1.3
327.23355	1.8
331.22842	1.2
389.28455	4.2
407.29584	15.3
415.28741	1.0
425.30499	10.6
443.31668	4.6
481.33194	4.1
499.34229	100.0
500.34717	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	499.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01576	0.9
51.02386	1.7
51.16172	0.8
53.03949	9.6
55.01878	3.7
55.05517	25.5
57.03430	2.8
57.07084	1.3
59.05004	0.9
65.03951	4.3
67.05510	60.5
69.03421	2.3
69.07072	14.2
70.12214	1.7
70.12609	1.4
71.04984	4.5
72.55852	0.8
77.03921	1.8
79.05499	100.0
80.05855	1.4
81.02982	1.4
81.03430	13.9
81.07066	53.8
83.04990	19.9
83.08623	8.5
85.05980	0.7
85.06529	2.6
91.05489	80.4
92.05792	1.0
93.07051	77.4
95.04973	15.5
95.08616	26.0
97.02903	1.0
97.06541	5.0
97.10167	1.1
98.21349	1.2
99.08107	4.8
99.70703	0.7
103.05469	2.4
105.04524	3.0
105.07038	45.1
107.04961	11.1
107.08601	16.6
109.06538	5.2
109.10182	6.5
111.08067	2.4
113.09538	0.8
115.05463	2.2
117.07026	10.2
119.08588	24.0
121.06518	0.8
121.10155	39.2
123.08080	1.2
123.11720	1.8
125.09627	2.8
127.07587	1.9
128.06241	2.3
129.07005	16.4
131.08583	21.3
133.06502	1.9
133.10149	35.1
135.11696	7.1
141.07019	1.5
142.07774	4.3
143.08568	4.9
145.10127	9.8
147.08064	2.5
147.11687	16.5
147.12814	1.3
149.09622	2.2
149.13290	2.2
151.11205	1.0
155.08540	2.7
157.10139	17.3
159.11682	5.8
161.09508	1.0
161.13327	0.9
163.11203	2.4
165.12724	1.8
166.27672	0.8
167.08698	1.1
169.10133	2.8
171.11687	3.0
173.13275	2.4
175.11215	11.3
181.10080	1.6
183.11696	2.5
185.13283	1.2
187.14874	0.8
193.12268	19.5
195.11682	2.0
197.13321	2.1
199.14792	1.4
209.13211	1.2
211.13286	2.0
213.16370	1.3
215.17943	4.5
225.16447	1.2
233.18965	1.8
267.15768	4.6
307.22742	4.1
389.28317	0.9
407.29495	3.3
481.33420	1.9
499.34186	63.9
500.34619	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	499.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53123	2.8
53.03946	10.8
55.01888	7.1
55.05516	35.2
57.03439	31.0
57.07080	11.4
60.08164	15.1
61.02929	85.4
61.08498	4.5
65.03940	4.8
67.05509	94.3
69.03434	43.5
69.07069	42.4
71.05006	9.9
71.07372	4.6
71.08647	5.1
71.51017	4.2
73.02925	37.7
79.05499	44.5
81.03419	33.2
81.07061	100.0
83.04998	6.2
83.08615	24.1
85.02915	76.0
85.06577	4.1
85.10202	3.8
86.09708	36.5
87.04479	5.2
87.10041	14.7
91.03968	49.6
91.05481	29.7
93.07045	38.6
95.04990	10.3
95.08614	77.0
97.02889	63.9
97.06541	9.5
97.10176	12.0
98.70754	2.9
99.04475	10.2
99.08095	4.6
101.02390	18.2
103.03962	9.1
104.10753	51.6
105.07047	22.9
105.11092	25.1
106.11316	4.5
107.08598	25.8
109.02905	12.5
109.06518	5.2
109.10165	39.5
111.08126	4.0
115.03951	8.1
117.07048	8.1
119.08606	16.9
121.10143	29.3
123.11742	15.7
125.00039	13.4
125.09655	4.9
127.00414	12.0
127.03916	26.2
129.05501	4.8
131.08594	7.9
133.10144	15.1
135.08102	3.6
135.11655	16.4
137.13300	8.5
139.11218	4.7
145.04916	7.1
145.10139	5.9
147.11703	10.3
149.13284	7.4
151.14827	5.5
157.10086	5.1
159.11664	3.9
161.13312	6.2
163.14819	9.5
169.10237	3.9
173.13222	3.1
175.14922	9.9
177.13025	3.2
183.06577	4.7
184.07355	39.0
185.07718	22.7
185.13498	3.4
186.07811	27.4
187.08119	5.2
193.12268	7.7
197.13257	4.2
201.07643	5.9
207.66913	3.2
215.17838	3.4
232.48242	2.9
245.22702	11.6
261.40955	3.0
263.23730	24.4
337.27399	92.8
354.88293	3.3
371.25232	3.4
445.29773	4.0
481.33279	12.0
499.34180	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	499.254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.7
53.03944	8.0
55.01878	29.2
55.05510	13.2
57.03430	5.2
65.03948	4.0
67.05509	42.6
69.03424	4.7
69.07081	6.5
70.06600	3.2
70.14853	5.6
71.04981	7.1
72.08140	3.0
77.03923	1.6
79.05497	77.1
81.03419	9.7
81.07067	27.2
83.04978	30.6
83.08625	3.8
84.08208	1.6
85.02914	6.6
85.06535	3.0
86.87596	1.6
87.04481	2.5
91.05486	69.3
93.03358	1.7
93.07050	81.1
95.01321	2.5
95.04968	12.7
95.08624	11.7
97.02917	2.0
97.06071	1.2
97.06548	11.2
97.10174	1.8
98.20831	1.8
99.04459	6.4
103.05467	2.6
105.04517	2.6
105.07037	12.0
107.04961	64.7
107.08600	52.1
109.06509	5.0
109.10154	5.4
111.04442	36.8
111.08071	11.7
113.06062	1.9
115.05457	12.0
117.07023	57.3
119.04939	2.9
119.08581	14.4
121.06503	15.9
121.10146	22.9
123.04480	1.5
125.06003	3.5
125.09636	19.3
125.10481	2.4
129.07014	3.9
130.07751	3.0
131.04959	3.3
131.08591	9.7
133.06541	2.0
133.10141	2.9
135.08060	100.0
135.11681	25.3
139.07567	1.8
145.06483	22.7
145.10123	26.9
147.08072	3.1
147.11687	2.5
147.66660	1.4
149.09627	6.5
153.09105	37.3
153.12759	19.7
155.06126	3.6
155.08588	4.2
163.07552	37.4
163.11179	40.9
173.09637	17.5
175.51520	1.3
176.09085	1.3
181.08611	20.0
181.12241	25.9
183.35153	1.3
191.10678	26.7
194.54611	1.5
199.09706	7.2
209.11728	19.6
227.12785	23.7
237.11220	20.6
255.12291	20.6
265.14337	39.0
273.13373	3.8
283.15424	25.8
301.16470	6.2
435.23495	1.8
445.22147	5.8
445.97275	1.4
463.23260	11.9
481.24191	5.1
499.25375	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.115
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96541	1.7
57.86230	1.6
69.58455	3.8
69.58869	6.1
70.06580	6.2
72.08137	1.8
79.62032	1.5
81.87822	1.5
82.99838	2.9
84.08145	2.8
85.01405	3.9
94.99874	2.2
97.02878	2.3
101.00881	26.9
103.02451	3.0
106.72641	1.5
110.07163	2.0
113.00868	7.2
118.08640	1.8
119.01930	23.6
125.89302	1.9
127.02419	14.7
129.03938	2.1
131.01913	17.9
133.03467	4.0
139.02426	5.8
143.01906	27.2
145.03476	53.9
147.01405	3.1
155.01892	39.7
157.03471	23.2
159.05049	1.9
161.02946	20.7
163.04541	2.2
167.01913	16.1
169.03474	7.0
171.01378	8.5
171.05037	3.3
173.02966	45.5
175.01060	1.9
175.04533	4.4
179.01900	5.5
181.03526	3.6
183.01445	2.8
185.02956	51.3
187.04552	7.1
189.02443	6.7
189.60738	1.4
191.04037	2.6
197.02975	20.5
199.00912	6.8
199.04507	4.0
200.38200	1.5
203.04001	15.6
209.02982	4.2
215.04031	9.8
217.01950	66.7
217.05342	2.5
221.02971	6.3
221.05130	6.8
227.03984	10.9
229.01950	12.6
229.05580	2.9
235.02995	13.0
245.05093	100.0
246.05336	2.7
247.02930	14.8
247.06743	4.3
257.05063	14.0
261.02872	3.1
263.06122	12.3
273.08066	2.6
275.06155	17.8
277.04037	19.5
293.07144	5.1
295.08713	1.9
301.04013	15.5
305.07199	9.0
319.05194	25.7
319.08655	3.6
335.08228	3.8
337.06122	34.0
337.09836	11.3
347.06128	2.5
365.09348	8.1
439.12885	2.6
499.11316	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42909	0.7
50.80603	0.6
52.69535	0.7
55.05506	2.0
57.07078	36.6
57.44272	0.7
58.23548	0.6
67.05515	0.8
69.07085	2.2
69.61079	1.1
69.61485	3.1
70.06580	0.7
71.08636	25.0
71.43652	0.6
72.08156	0.7
73.06554	6.6
79.05502	1.1
81.07053	1.2
83.08624	3.0
85.10191	23.2
87.04480	4.4
89.06035	100.0
91.07599	0.9
93.07035	0.8
95.08601	1.0
97.10165	2.8
97.10725	0.7
99.11741	4.1
105.06995	1.5
107.07070	2.1
111.11691	0.9
113.13326	1.7
117.09113	5.3
121.10133	0.8
130.08649	1.5
131.07060	1.3
133.08609	54.6
135.10167	1.1
155.17934	4.1
161.11824	0.7
177.11235	17.7
177.12706	1.5
199.20613	5.2
205.99831	0.6
221.13863	2.9
239.14905	2.1
240.23199	0.9
243.23224	10.4
283.17664	2.1
287.25888	4.5
312.71039	0.7
327.20184	9.7
437.35095	1.7
452.38934	1.5
481.31110	1.0
481.37415	12.8
498.39471	8.5
499.34082	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	498.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23752	0.3
53.03943	1.0
55.01873	0.4
56.05035	0.6
67.05492	0.5
68.05029	0.4
69.03435	1.7
70.04679	1.2
70.06599	5.6
72.08163	2.2
78.04710	0.4
79.05495	4.9
80.05022	1.1
81.03424	3.8
83.04990	0.7
84.04513	0.8
84.08153	1.9
85.02917	1.4
86.09720	2.2
89.03922	4.5
91.05489	1.0
91.41074	0.3
93.06961	0.3
94.06596	0.4
95.04987	0.8
96.08193	0.4
97.02896	0.3
97.06538	0.5
98.06075	3.3
99.04484	0.7
106.04164	0.5
107.04984	0.9
109.02873	0.8
110.07178	0.7
112.11214	0.3
116.07088	0.3
117.03389	15.6
123.04440	0.5
124.07569	0.9
125.06000	9.3
129.10231	0.8
134.03625	1.0
135.04420	0.7
136.04860	0.3
136.07568	0.8
137.05969	0.4
137.93872	0.3
142.08646	18.2
145.02856	48.4
146.03191	0.6
149.05988	5.4
160.09711	7.8
163.03943	1.0
169.07625	0.3
177.05482	100.0
178.05830	1.4
186.05435	0.5
195.06563	1.0
206.08154	0.4
219.66200	0.3
223.10904	0.4
224.11067	0.4
231.09753	0.4
232.09485	0.4
250.10745	0.6
304.14075	0.4
319.03494	0.3
319.42908	0.4
321.09717	4.2
322.14899	0.4
328.14957	0.7
336.14468	0.4
339.10757	5.5
480.18396	0.8
498.19107	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	497.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59140	1.1
53.00305	3.5
53.03942	4.8
55.01878	13.2
55.05517	7.5
57.03430	3.2
59.05014	9.7
62.79068	1.0
64.18275	1.0
65.03954	1.8
67.05511	31.3
69.03429	2.1
69.07080	6.4
70.06593	4.8
70.80231	3.0
71.04998	3.5
71.53904	1.0
72.08161	4.2
73.02928	2.1
77.03930	1.5
79.05501	66.0
81.03420	5.1
81.07066	22.5
82.93735	1.2
83.04980	19.6
83.08627	3.9
84.04512	1.4
84.08146	2.8
85.02909	4.7
85.06526	2.7
86.09714	1.7
88.52904	1.2
89.60340	1.2
91.05492	31.3
93.07052	28.5
95.04974	10.7
95.08609	13.9
97.02885	1.4
97.06537	9.3
99.00845	9.3
99.04468	3.6
99.08099	1.8
103.05479	3.8
103.07598	1.3
105.07039	100.0
106.64004	1.2
107.04963	16.0
107.08613	22.5
109.02924	1.5
109.06516	3.8
109.10171	10.1
109.11393	1.2
111.04447	26.7
111.08067	7.9
115.05469	5.1
117.07026	8.1
119.08597	8.5
121.06506	3.3
121.10153	15.6
123.04456	2.6
123.08093	4.5
125.05994	3.2
127.03963	1.7
129.06989	2.1
131.04947	1.3
131.07048	3.9
131.08553	6.4
133.06502	34.5
133.10143	6.1
135.04463	1.7
135.08072	7.5
135.11711	15.0
137.06017	1.5
145.06511	3.3
145.10126	17.4
147.08032	2.0
147.11699	2.5
149.09641	4.0
151.07558	38.7
151.11227	2.8
153.06851	1.3
153.12764	11.4
155.08592	3.6
161.09612	1.3
163.11183	29.9
163.12544	1.5
173.09650	8.8
179.07062	1.3
181.12248	20.3
191.10701	19.9
191.15749	1.5
209.11697	8.0
215.09175	2.8
215.13589	1.2
227.12811	17.1
253.10632	1.8
265.14328	13.8
271.11798	5.1
283.15442	13.5
383.49744	1.3
479.22348	5.3
497.23550	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66815	1.7
53.00308	6.4
53.03929	8.2
55.01880	20.9
55.05281	1.8
55.05519	28.1
56.05045	2.0
57.03433	5.0
57.07064	1.7
58.64551	1.6
59.05008	12.9
62.01972	1.8
65.03943	2.2
67.05196	2.2
67.05518	30.6
69.03426	5.6
69.07059	5.6
70.06593	10.9
71.01322	2.0
71.04974	6.2
71.06931	1.7
71.49623	3.1
72.08154	6.4
73.02923	4.0
79.05504	60.5
81.03418	13.2
81.07066	35.3
82.24916	1.9
83.04988	6.4
83.08636	11.1
84.04478	2.2
84.08121	3.3
85.02899	6.1
86.09698	4.4
87.04470	4.1
89.06025	3.6
91.05490	81.9
93.07052	70.4
95.01341	2.3
95.04967	12.0
95.08612	10.6
97.02891	9.2
97.06521	4.8
97.10167	6.4
98.97579	4.7
99.00832	22.7
99.08080	2.4
100.11258	2.1
103.05478	4.3
105.04520	3.5
105.07043	30.3
107.04970	53.7
107.08607	40.8
109.02906	12.2
109.06512	7.3
109.10147	8.3
111.04423	6.1
111.08076	6.6
115.03915	4.2
115.05459	7.7
117.06242	3.4
117.07033	54.9
119.04954	4.9
119.08608	15.2
121.06528	16.4
121.10153	4.4
123.08092	2.4
123.11756	2.9
125.09654	25.1
127.03923	2.4
128.06236	2.0
131.08583	3.2
133.06453	3.6
133.08673	2.1
133.10150	46.3
135.08070	100.0
135.11681	3.8
137.06017	3.7
137.09604	2.5
139.07529	5.5
143.08560	6.1
145.06505	19.1
145.10121	3.7
147.04482	2.3
151.11227	12.5
152.42882	1.8
153.07936	3.4
153.09125	53.5
155.06042	2.7
161.09633	17.2
163.06314	3.6
163.07567	43.6
170.99669	2.2
171.08029	2.3
179.10733	12.6
181.08603	31.3
184.07347	2.5
189.09164	12.3
191.04048	2.1
197.11763	7.0
199.09714	8.4
201.12219	1.9
207.10156	6.2
219.01828	3.9
225.11244	21.2
237.11249	20.6
243.12183	4.9
253.14299	2.8
255.12352	24.0
279.03772	2.4
281.13806	9.1
283.15369	2.3
297.65549	2.2
299.14917	12.7
424.66318	1.9
461.21613	3.4
479.22882	11.6
497.23184	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.8
53.00310	3.7
53.03947	3.3
53.08064	0.6
55.01875	14.0
55.05513	4.9
57.03442	1.5
59.05007	1.3
65.03942	2.0
67.05511	26.1
69.03435	1.8
69.07079	3.8
70.06599	1.3
71.01357	0.9
71.05000	2.5
71.23252	1.3
72.08159	1.0
73.02924	2.7
77.03929	1.1
79.05499	65.0
80.06251	0.6
81.03436	3.3
81.07064	19.8
83.04986	20.9
83.08629	1.6
84.08153	1.2
85.02918	2.0
85.06546	2.0
86.09715	1.0
91.05486	24.4
93.03399	0.6
93.07047	22.4
95.01347	0.7
95.04980	8.3
95.08614	12.7
97.02893	0.8
97.06531	7.4
99.00821	8.7
99.04467	3.4
99.08091	1.3
103.05489	4.9
105.07038	100.0
106.07381	0.7
107.04966	12.1
107.08603	17.2
109.02866	1.4
109.06534	2.9
109.10172	4.0
111.04449	27.8
111.08102	6.2
113.05994	0.7
115.05482	4.3
117.07016	7.4
119.08582	6.9
121.06505	2.9
121.10159	13.5
123.04436	1.7
123.08076	5.4
125.05994	2.2
129.07007	2.2
130.07817	1.0
131.04938	1.0
131.08580	5.8
133.06506	32.5
133.10184	1.1
135.04356	1.0
135.08086	5.3
135.11700	13.3
137.05966	0.7
137.09660	0.7
139.07582	0.6
143.08601	0.7
145.06450	2.3
145.10130	13.3
147.08075	1.0
147.11688	1.5
149.09596	3.5
151.07552	33.6
153.12740	10.7
155.08571	2.7
159.10199	0.6
163.11195	22.8
163.12564	1.2
173.09636	8.7
179.07028	2.8
181.12251	20.1
191.10683	18.1
204.59534	0.6
209.11758	9.3
215.09160	2.4
227.12802	13.8
231.09286	0.7
253.10625	1.8
265.14346	14.5
266.66367	0.8
271.11664	3.4
283.15381	12.6
301.16455	1.1
335.29852	1.0
479.22672	6.9
497.23602	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52407	0.5
53.01074	0.5
55.05514	1.8
57.07080	32.4
58.59359	0.5
67.86143	0.6
69.07076	2.9
69.18147	5.6
71.08636	28.9
73.06556	5.7
83.08615	3.8
85.10190	15.1
87.04469	2.1
89.06035	100.0
95.08625	0.7
97.10168	3.7
99.11739	3.0
107.07078	1.7
111.11751	2.0
113.13294	1.9
115.15350	0.5
117.09148	2.5
125.13261	1.1
127.14864	0.9
130.08633	1.4
133.08609	45.3
141.16420	0.8
142.68829	0.6
144.12988	0.6
151.09633	1.0
151.95593	0.5
163.90479	0.6
170.83162	0.5
177.11232	14.2
177.12709	1.0
181.95566	0.6
195.12279	2.9
197.22736	1.8
206.11862	0.6
221.13921	1.9
222.33492	0.7
239.14920	2.7
241.25342	1.3
283.17538	16.9
285.27902	5.9
329.30515	2.1
435.36700	1.2
479.39404	13.4
496.41797	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	497.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44330	6.2
53.03946	10.0
54.92723	7.3
55.01852	8.4
56.70221	6.7
57.03431	8.1
59.05006	37.6
61.02938	9.9
67.05525	11.4
69.03436	60.7
69.39478	31.7
69.39884	17.8
70.06577	5.9
70.21564	6.6
78.55328	6.3
81.03429	48.7
81.07050	8.0
83.04968	10.2
85.02916	100.0
87.00838	51.5
91.05482	10.1
93.07051	12.6
95.05004	9.5
95.08591	7.5
97.02914	53.5
99.04435	13.9
105.01893	37.1
109.02898	50.8
125.02299	10.5
127.03935	92.7
129.01857	10.5
131.07053	15.9
133.10164	7.1
145.04962	25.1
151.03929	8.0
151.36383	6.3
159.02910	9.9
169.04951	12.2
171.03056	6.5
189.03880	10.9
231.04942	16.7
240.54459	6.8
273.06158	19.8
339.07706	7.3
349.99191	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	496.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18272	0.7
55.05515	2.7
57.07077	40.9
59.05003	100.0
60.05356	0.6
67.05515	0.7
69.07066	4.5
69.19682	1.4
69.20087	4.6
71.08634	34.1
72.19347	0.7
73.06560	6.1
83.08646	3.2
85.10188	22.7
87.04484	1.5
89.06033	53.6
97.10176	4.6
98.21534	1.6
99.11741	3.1
101.36878	0.7
103.04002	0.7
103.07585	82.1
107.07083	1.2
109.10160	1.0
111.11710	3.7
113.13304	2.2
117.09146	3.6
125.13316	1.7
127.14888	1.9
130.08650	1.0
133.08617	19.1
147.10176	30.1
177.11203	7.4
177.12482	0.7
183.21190	1.8
185.72905	0.6
191.12833	1.3
194.11841	0.7
206.08292	0.7
209.13840	1.1
221.13847	0.8
227.23772	2.2
253.16646	1.6
255.31767	0.7
271.26309	6.2
283.17493	4.3
297.19058	10.1
297.22028	0.7
315.29135	2.7
450.62704	0.7
479.39206	3.6
496.41916	12.7
496.48489	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.0
57.07080	38.3
59.05003	24.3
63.04110	0.8
67.05499	2.7
69.07076	5.0
70.81004	1.9
70.81341	1.1
71.08635	31.7
73.06553	4.8
77.06020	1.1
79.05503	1.2
81.07059	1.3
83.08607	3.1
85.10186	20.8
86.94070	0.9
87.03940	1.0
87.04475	21.1
88.36368	0.9
89.06032	54.3
97.10177	3.7
99.11738	3.2
103.03945	100.0
103.07582	22.8
104.10741	1.4
107.07050	1.1
109.10145	1.7
111.11748	2.1
113.13284	2.9
113.40307	0.8
117.09142	2.3
119.07060	1.4
121.08652	3.4
125.00006	1.1
125.13268	1.3
127.14830	1.8
128.92015	0.9
131.07053	5.9
133.08598	12.2
135.17114	0.9
147.06531	9.8
147.10176	21.7
163.09669	3.4
165.11263	3.9
175.09631	2.4
177.11189	7.9
183.21147	3.1
184.07478	1.2
191.09175	5.0
191.12778	1.2
194.11731	1.1
195.12419	1.1
206.11746	2.1
207.12367	3.1
227.23767	2.2
229.14314	1.4
235.11771	3.3
235.15309	1.2
251.14859	5.2
269.15997	2.7
271.26343	10.4
279.14520	2.3
283.17474	1.9
297.15402	8.3
307.22549	1.3
315.28986	2.1
335.57715	1.0
359.60275	0.8
479.35727	6.1
489.30344	0.9
496.41605	12.6
499.32840	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3401
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
56.05035	1.2
57.07090	2.8
57.07319	0.5
58.06612	1.6
60.07887	0.9
60.08170	13.9
63.30056	0.5
67.05513	0.7
67.70631	0.5
69.07066	0.9
69.50847	3.0
69.51250	1.2
71.07381	6.5
71.08622	2.0
76.55910	0.6
81.07053	1.1
85.10207	1.0
86.09713	45.4
94.19882	0.6
95.08629	0.9
98.98483	3.4
104.10751	100.0
113.80182	0.6
125.00014	27.0
146.79210	0.5
163.01663	0.7
184.07355	97.2
193.70108	0.5
313.27536	1.8
478.32932	10.7
496.34027	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	496.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	4.6
55.05519	22.9
57.03422	15.8
57.07079	24.0
57.86672	3.5
59.04992	12.0
61.18799	3.7
67.05511	100.0
69.07059	13.8
71.08633	21.2
71.51313	5.7
73.06570	4.2
79.05497	42.0
81.07063	38.6
83.08614	13.1
85.10179	14.3
86.09704	6.6
87.04462	11.5
89.06034	40.1
91.05472	18.1
93.07043	46.8
95.04984	3.8
95.08610	26.3
97.10168	7.5
99.08084	4.1
103.03954	45.7
103.07563	8.5
104.10738	9.3
105.07030	11.1
107.08572	9.4
109.10161	77.0
118.04612	3.8
119.08578	9.7
121.10103	15.0
123.11707	4.7
131.08566	7.8
133.08609	16.2
133.10158	6.6
135.11690	15.3
145.10127	6.2
147.10197	7.4
147.11719	4.1
149.13290	7.3
150.45305	3.9
155.10612	6.1
173.11821	22.7
173.13164	5.5
177.11246	7.9
184.07327	9.5
194.11702	5.2
206.11794	9.5
215.17938	15.6
218.31778	4.0
229.14354	71.7
233.19011	10.9
283.17551	7.8
307.19443	6.9
307.22711	74.3
461.32538	39.3
496.34531	4.9
496.41565	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.5
57.03448	0.2
57.07078	0.8
58.06632	0.5
58.50232	0.1
59.07401	0.1
60.08169	6.0
67.05506	0.2
69.07071	0.2
70.06590	0.1
70.56960	0.3
71.07375	2.7
71.08633	0.3
75.19199	0.1
75.33342	0.1
80.97432	0.1
81.07036	0.2
83.08615	0.1
85.10194	0.1
86.09710	30.0
95.08611	0.2
98.98466	3.4
104.10750	3.2
105.11040	0.1
125.00010	20.8
163.01654	0.1
184.07349	100.0
185.07761	0.5
188.93039	0.1
224.43367	0.1
258.10989	0.2
301.28604	0.1
313.27289	0.3
320.64493	0.1
478.33133	1.0
496.33951	1.9
497.33139	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	496.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54402	0.3
55.05503	0.4
56.05017	0.8
57.03440	0.4
57.07064	0.7
58.06604	0.4
60.07896	0.4
60.08172	6.5
67.05505	0.6
69.07061	0.3
69.58224	1.6
71.07374	2.6
71.08648	0.4
77.44294	0.3
77.51450	0.2
79.05505	0.3
81.07047	0.5
83.08617	0.3
84.04503	0.3
85.02905	0.3
86.09715	30.8
91.08941	0.2
92.00288	0.3
93.07083	0.4
95.08614	0.5
97.10178	0.3
98.98470	3.4
104.10760	3.0
107.08583	0.3
109.10146	0.3
119.08547	0.4
125.00021	22.0
184.07361	100.0
185.07735	1.0
313.27432	0.3
317.52606	0.2
381.00607	0.3
478.32947	0.8
496.34161	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	2.1
53.03936	1.1
55.01862	1.7
55.05519	7.6
56.05040	1.1
57.03436	3.0
59.04990	1.8
60.04535	6.8
61.02911	2.0
65.03918	0.6
67.05512	8.5
69.03425	2.8
69.07052	2.5
69.43878	4.5
70.06594	7.4
71.01353	1.2
71.05004	0.9
72.08164	3.1
73.02925	1.2
74.06086	0.8
79.05492	4.2
81.03417	3.5
81.07058	9.5
83.04974	1.7
83.08634	7.6
84.08144	3.6
85.02923	5.4
85.06527	0.8
86.09713	3.5
87.04475	0.9
91.03938	0.8
91.05488	11.0
93.07053	10.1
95.04968	2.6
95.08627	4.3
97.02902	5.2
97.06539	1.3
98.20738	0.8
99.00824	13.3
102.05528	0.6
103.05447	1.2
104.07090	1.1
105.07043	8.1
107.04957	4.9
107.08607	3.9
109.02886	8.0
109.06511	1.0
109.10179	2.9
110.07109	0.8
111.04440	1.1
111.08083	2.6
115.03930	1.4
117.07026	1.2
118.08508	0.7
119.08593	6.0
120.08121	2.5
121.06511	4.9
121.10152	1.1
123.04415	1.1
123.11707	1.7
127.03928	2.3
128.06221	1.3
129.06984	0.6
129.10236	1.8
131.08569	0.6
133.10139	22.0
135.11679	1.5
137.05969	1.7
137.09598	0.7
139.07524	1.2
143.08585	3.9
145.05084	0.6
145.06471	0.7
147.04410	0.6
147.07980	0.8
151.11203	7.7
161.09644	13.4
163.11174	0.8
165.09048	1.0
171.08061	3.2
179.10701	8.1
189.09091	7.6
191.59898	0.6
193.12164	0.8
194.66795	0.5
197.11781	2.9
207.10133	3.4
225.11246	17.3
228.21182	0.7
235.57578	0.6
243.12291	6.5
263.91074	0.6
268.26221	0.6
280.26358	2.2
281.13824	6.4
285.17209	0.8
298.27463	2.5
299.14917	100.0
300.15289	2.7
316.28525	4.1
317.15970	2.0
334.29568	9.0
380.47076	0.7
478.34018	1.7
496.26895	2.1
496.34802	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	496.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	1.7
53.03952	1.4
55.01873	2.5
55.05270	1.0
55.05520	9.2
56.05030	1.7
57.03440	3.2
59.04991	2.2
61.02940	2.1
63.07784	1.0
63.49281	0.8
67.05512	6.2
69.03438	1.7
69.07062	1.1
69.58472	1.9
69.58894	4.4
69.79022	0.8
70.06599	14.0
71.01348	1.3
71.04973	1.1
72.08166	7.4
72.69038	1.2
79.05505	3.8
81.03421	3.0
81.07071	7.8
83.04974	1.4
83.08625	6.5
84.04508	3.8
84.08158	9.2
85.02898	2.5
85.06529	1.1
86.09713	11.2
87.04443	0.9
87.05577	1.0
91.05489	11.2
93.07058	8.6
95.04972	3.7
95.06057	1.1
95.08627	4.4
97.02909	3.5
97.06554	2.1
99.00827	12.6
100.07621	3.4
100.37437	1.0
102.05517	1.9
103.05518	1.2
105.07055	8.0
107.04943	3.9
107.08609	4.1
109.02884	7.9
109.06558	1.0
109.10162	3.2
110.07181	1.5
111.04401	1.4
111.08085	3.8
115.03924	1.3
115.08625	1.0
117.07053	1.9
119.04929	1.5
119.08583	7.7
120.08117	4.0
121.06503	4.9
123.11725	1.2
127.03941	1.8
127.08610	1.0
129.10242	4.1
133.10149	23.6
137.06017	1.2
139.07616	2.0
143.08586	2.8
145.06465	1.5
145.10133	1.3
147.04486	2.6
151.11185	6.9
161.09644	14.8
163.03812	0.9
171.08028	4.4
179.10669	7.9
183.14914	1.1
189.09128	7.9
197.11739	2.9
201.12183	0.8
207.10149	2.7
225.11253	13.3
235.87392	0.8
243.12296	4.4
281.13907	5.0
299.14911	100.0
300.15338	2.0
482.98755	1.1
496.26266	2.0
499.83102	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86558	1.2
58.99872	1.8
66.23405	1.2
67.68204	1.4
69.03445	2.1
69.62513	8.5
70.06594	9.5
70.99872	1.7
71.07291	1.4
72.08165	2.4
72.44153	1.2
74.83146	1.3
81.03438	1.7
82.99874	3.8
84.08154	3.9
85.02918	2.4
90.10162	1.2
97.02883	2.6
99.84334	1.2
101.00278	2.4
101.00892	27.5
109.02927	1.9
112.07702	1.5
113.00883	6.7
115.02436	2.2
119.01933	34.8
120.08135	1.5
127.02432	5.5
129.03967	1.4
131.01918	13.8
133.03456	2.2
137.00844	2.0
137.03011	1.4
139.02412	1.9
143.01909	30.2
145.03496	17.8
149.03029	1.6
153.03954	2.6
155.01915	21.0
157.03487	7.6
161.02962	23.4
163.04553	2.6
167.01897	17.7
167.63748	1.3
169.03465	8.5
170.06720	3.2
171.01495	2.0
171.05055	3.5
173.02997	19.8
175.04579	2.9
179.01921	5.9
181.03436	2.0
185.02968	48.8
187.04576	12.2
189.02524	2.6
195.01396	4.6
197.02975	17.3
199.02872	1.4
203.02299	2.0
203.04010	13.5
207.03363	1.4
209.03023	1.6
211.04630	1.8
213.02457	60.3
213.07262	9.1
215.04060	8.2
221.02980	7.1
221.05139	5.7
223.04628	2.2
225.02454	9.3
227.04059	10.2
231.03522	97.2
237.02489	2.6
239.03983	3.5
243.03563	5.9
245.05096	100.0
246.05391	2.0
249.02400	1.9
249.04553	3.1
255.03552	3.8
257.05042	6.3
261.04678	8.0
263.06168	11.9
267.03568	2.0
273.04599	17.1
273.08566	3.4
275.06177	14.1
282.48206	1.4
285.04617	2.5
289.80243	1.4
291.05743	7.4
293.07217	3.1
297.04669	3.1
303.05606	3.2
305.07382	9.5
315.05618	25.1
315.09119	2.4
333.06668	34.3
333.10388	2.4
335.08148	3.8
337.09711	1.5
349.07657	1.8
351.07858	1.6
365.09360	8.9
367.08896	2.0
375.07742	2.3
383.09393	1.6
470.49927	1.6
495.11935	14.1
495.22925	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	494.3247
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
55.05511	3.1
56.05034	1.5
57.03423	0.5
57.07068	1.0
58.06590	2.1
60.08167	20.5
67.05494	0.6
69.07073	2.5
69.47627	1.1
69.48036	2.0
71.07372	6.8
71.08630	0.6
73.02950	0.4
77.11603	0.4
81.07044	0.8
83.08620	1.6
86.09708	53.0
87.10061	0.4
93.13706	0.4
95.08621	0.7
97.10183	1.1
98.20652	0.4
98.98473	4.7
104.10746	100.0
105.07037	0.4
105.11084	0.5
125.00008	29.9
163.01598	0.8
184.07346	98.9
185.07629	0.7
311.25842	1.6
476.31406	9.5
494.32410	23.4
495.32327	0.6
504.19037	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.4
56.05033	0.4
56.29221	0.1
57.03438	0.2
57.07074	0.2
58.06645	0.5
58.56737	0.1
60.08167	6.6
61.74151	0.1
67.05503	0.3
69.07067	0.6
70.06596	0.2
70.74965	0.1
70.75291	0.2
71.07380	2.8
75.73884	0.1
81.07060	0.3
83.08633	0.4
86.09711	30.4
93.07053	0.3
95.08617	0.2
95.33246	0.1
97.10143	0.2
98.98468	3.4
104.10754	3.0
107.08584	0.2
109.10192	0.1
121.10111	0.2
125.00013	21.6
135.11746	0.1
141.38757	0.1
149.02388	0.2
184.07353	100.0
185.07671	0.5
193.05002	0.2
214.60229	0.1
230.71962	0.1
237.07559	0.2
284.29413	0.2
311.25760	0.2
476.31375	0.9
494.32370	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	494.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01862	1.5
55.05521	5.3
56.05037	4.9
57.03429	3.9
58.06602	0.9
60.04530	93.4
61.02921	2.0
67.05244	0.8
67.05515	11.1
68.05048	1.5
69.03437	9.6
69.07078	4.7
69.36518	7.5
70.06593	7.4
71.04984	1.4
72.04523	2.9
72.08135	1.6
72.33916	1.1
73.02925	2.3
74.06087	3.5
79.05496	7.6
80.05016	1.6
81.03417	6.3
81.07056	12.6
82.06575	2.2
83.04967	2.1
83.08617	1.9
84.04499	2.9
84.08154	2.0
85.02911	23.4
86.06072	2.5
86.09721	4.5
90.05559	1.8
91.05477	5.2
91.15439	0.9
93.07033	7.6
94.06567	2.5
95.04977	1.8
95.08617	8.2
97.02901	7.3
97.06532	1.5
98.06094	1.0
98.20705	1.6
99.04461	1.5
102.05553	3.0
104.07111	3.3
105.07038	3.0
107.08610	2.5
109.02902	2.1
109.10165	4.2
111.04488	1.5
111.08054	0.9
119.08591	2.1
120.08104	2.1
121.10174	3.7
123.11724	1.3
127.03933	3.5
129.10272	2.9
131.08594	2.1
133.10178	1.3
135.11699	2.2
136.07564	1.3
145.04979	1.7
149.13292	1.6
163.14931	1.1
184.07356	1.4
188.09201	1.5
199.39594	0.9
206.10271	1.5
224.11412	3.3
248.23930	1.2
260.23752	2.1
278.24734	6.4
296.25845	9.0
314.26926	20.1
328.96573	1.2
332.27969	100.0
333.28494	2.6
374.29031	3.4
395.43173	1.0
406.64874	1.2
410.29007	1.1
440.30643	1.3
458.31311	1.6
474.34750	0.9
476.32370	3.5
494.33359	45.9
495.33923	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	494.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02879	0.3
51.64484	0.2
55.05515	0.6
56.01360	0.2
56.05044	0.7
57.03423	0.2
57.07085	0.3
58.06610	0.5
60.08167	6.6
69.07056	0.5
70.81378	0.6
71.07372	3.3
76.90505	0.2
81.07061	0.4
81.18842	0.2
83.08654	0.4
86.09710	32.3
98.98470	3.2
104.10744	4.7
125.00010	23.0
149.02359	0.5
184.07346	100.0
185.07751	0.6
193.05000	0.4
214.41428	0.2
237.07596	0.3
258.64407	0.3
264.47336	0.3
311.25531	0.2
327.35855	0.2
476.31461	1.3
494.32413	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	493.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84196	0.4
55.05519	2.8
57.07081	32.0
58.39923	0.4
59.04999	1.6
67.05513	1.9
69.07079	4.0
69.18378	0.8
69.18784	4.5
71.05017	0.8
71.08640	28.0
73.06560	4.9
76.32964	0.5
77.88586	0.5
81.07055	1.5
83.08621	4.3
85.09673	0.8
85.10190	18.1
87.04469	2.9
89.06039	100.0
91.07599	1.1
94.82503	0.4
95.08618	1.1
97.10170	4.2
99.11749	2.5
105.07018	0.4
107.07097	2.6
107.08621	0.6
109.10152	0.7
111.11720	1.8
113.13271	1.5
117.09143	1.8
125.13294	1.1
127.14822	1.4
130.08638	1.8
131.07094	0.7
133.08615	39.3
135.11833	0.7
141.16400	1.0
147.13043	0.5
151.09648	0.7
169.19600	0.5
172.16364	0.5
177.11243	7.9
180.12344	0.5
195.12340	1.5
211.24303	1.0
219.91800	0.5
221.13811	0.8
239.15018	1.3
239.42274	0.5
258.36313	0.5
273.08517	0.5
283.17511	4.3
493.25577	2.4
493.39230	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	494.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.1
55.05515	11.2
56.05032	3.1
57.05817	1.7
58.06081	1.1
58.06564	1.3
60.04521	2.4
62.06098	1.2
67.05502	1.4
69.07068	2.8
70.02964	3.3
70.06596	17.8
71.50301	1.0
71.50706	1.1
72.08158	100.0
74.02452	1.6
74.06083	3.8
76.02213	1.1
81.03402	1.3
83.05025	1.2
84.04506	8.8
84.08145	20.8
85.02917	1.7
86.09709	22.1
87.05615	5.1
87.10027	1.2
88.03989	6.7
89.10821	1.6
91.05488	8.1
93.07037	1.6
95.06107	1.6
98.02431	3.2
98.06077	2.2
101.07146	2.0
103.05470	3.0
110.07176	7.0
112.08740	3.2
112.11239	1.6
115.08683	1.4
116.07079	1.2
119.07320	1.6
120.08109	74.9
121.08560	1.4
123.08093	1.1
127.03936	1.2
129.10243	13.3
130.05019	3.0
130.06531	18.5
133.06093	24.2
135.04407	2.0
136.07578	4.3
138.06593	1.1
140.06961	1.6
144.08110	5.0
145.06143	1.3
147.04378	1.2
147.07620	2.9
163.03941	5.7
172.07607	4.4
175.08661	14.2
175.57153	1.2
176.09207	2.3
187.14482	2.4
190.08629	7.2
200.07037	1.3
213.12318	1.6
215.10292	3.8
217.09750	4.0
218.08157	2.4
219.11369	1.4
228.10414	1.6
231.02852	1.9
232.12938	24.0
235.10782	65.5
236.11119	1.7
249.12387	1.1
263.10291	62.2
344.79977	1.4
361.16159	1.4
362.17203	7.6
406.07962	1.8
476.17035	2.1
494.26425	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	493.2801
Annotation	Mucronine B
Peak:m/z	Relative Intensity
51.02372	1.8
53.03949	7.8
55.01875	10.7
55.05518	14.0
57.03442	4.2
59.05011	3.1
67.05505	37.1
69.03426	4.0
69.07068	9.7
70.06583	4.2
71.04996	3.3
71.50381	2.0
72.08156	2.6
73.02927	1.6
73.57484	1.4
79.05497	36.0
81.03423	70.4
81.07061	29.5
83.04980	20.8
83.08625	18.4
84.04494	1.7
84.08134	3.6
85.02911	3.2
85.06545	3.3
86.09703	2.0
89.06052	2.9
91.05486	34.3
93.07047	34.0
94.33669	1.6
95.04976	26.1
95.08611	12.7
97.02900	2.6
97.06525	10.1
97.10182	2.5
99.04462	5.4
99.33384	1.7
103.05459	1.5
105.07042	19.8
107.04955	16.8
107.08611	14.3
109.02898	2.3
109.06518	5.3
109.10160	6.9
111.03722	2.9
111.04444	31.2
111.08098	15.7
113.06008	1.4
115.05465	3.3
117.07015	10.9
119.08598	17.9
121.06502	7.5
121.10156	20.1
123.08109	1.8
125.06004	2.9
125.09661	1.7
129.07008	11.4
129.10277	1.7
131.04962	2.0
131.08571	12.3
133.06546	3.3
133.08609	3.0
133.10130	5.1
135.08112	2.0
135.11696	18.4
137.05949	2.0
137.09616	1.8
142.07774	2.2
143.08540	2.1
145.06488	4.3
145.10136	15.8
147.08046	2.8
147.11688	7.9
149.09651	7.9
153.12759	12.5
155.08569	4.6
157.10175	4.9
161.05957	1.6
163.11179	30.0
165.12810	2.8
173.09630	11.0
175.11200	5.2
181.12250	23.1
187.11188	1.5
191.10710	17.2
193.12251	28.5
201.03685	2.9
203.05305	2.1
203.10732	1.4
209.11736	9.4
227.12775	13.9
249.14951	3.3
265.14438	3.6
267.16043	6.6
283.15445	18.2
304.98016	1.6
313.21475	4.3
315.22928	13.8
316.06042	3.3
331.07996	4.9
355.22629	3.9
365.21317	1.9
383.22079	7.6
401.23492	3.1
447.27737	2.0
457.25851	2.5
475.26718	7.8
493.27844	100.0
494.27878	2.8
506.39322	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	493.263
Annotation	Lurasidone
Peak:m/z	Relative Intensity
54.60890	0.3
55.05502	0.6
57.03418	0.4
60.04523	0.4
61.02905	0.3
63.77071	0.3
67.05499	0.6
69.07080	0.5
70.06600	5.3
70.82427	0.3
70.82760	0.6
71.06902	0.3
72.08163	4.5
73.02914	0.4
81.07034	0.5
84.04494	0.6
84.08156	2.0
85.02923	1.5
86.09714	4.4
91.05476	1.0
93.07039	0.5
95.04984	0.3
97.02821	0.3
97.06548	0.4
113.02383	0.6
116.07088	0.5
120.08139	2.5
121.02901	0.3
121.06495	0.4
121.08443	0.5
127.03941	0.3
129.10260	1.1
131.03415	0.4
136.07558	0.9
137.05983	1.8
137.38564	0.3
141.01834	0.4
147.04417	0.3
151.07588	0.5
153.01813	1.3
159.02992	0.3
163.03941	0.4
163.07524	0.4
212.49292	0.3
229.04927	0.6
273.03751	0.3
274.04807	0.8
285.03998	0.9
287.13007	0.3
302.04297	2.2
317.06586	16.0
318.06970	0.4
331.20938	13.2
331.32089	0.3
439.18045	0.3
493.26230	100.0
494.26395	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	492.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.3
55.29851	0.2
55.30204	0.2
56.05040	0.8
57.03455	0.3
58.06615	0.3
60.07898	0.3
60.08167	6.9
67.05502	0.8
67.51796	0.2
69.07077	0.4
69.48284	1.1
71.07381	3.0
81.07068	0.8
83.08627	0.3
85.83652	0.2
86.09714	32.3
87.10035	0.3
91.05476	0.4
93.07037	0.2
95.08609	0.4
98.20760	0.4
98.98473	3.4
104.10769	2.5
107.08578	0.3
109.10170	0.3
121.86524	0.3
125.00016	23.6
136.21539	0.2
184.07355	100.0
185.07697	0.6
213.10829	0.3
258.11194	0.2
309.24387	0.4
373.97482	0.2
474.29929	1.1
492.30762	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	492.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
55.01888	0.4
55.05513	12.8
56.05017	0.6
57.03440	7.1
57.07065	1.5
58.06602	23.8
63.27522	0.4
65.03932	0.9
65.45730	0.4
67.05508	25.1
69.07070	14.8
69.24052	1.9
69.24477	1.4
71.05002	0.4
72.74748	0.4
79.05492	6.6
81.07059	25.9
83.04994	0.7
83.08158	0.5
83.08620	7.2
85.06546	0.9
91.05486	4.5
93.07053	7.8
93.26334	0.3
95.04959	0.4
95.08607	19.9
97.06522	1.2
97.10172	3.5
99.08091	0.5
102.14250	0.4
105.07054	2.6
107.08600	3.7
109.06554	0.4
109.10155	6.0
111.08112	1.0
111.11686	0.6
116.49038	0.4
119.08568	2.9
121.10125	2.6
123.08063	0.5
123.11711	2.7
125.09659	0.6
133.10114	2.7
135.11671	1.2
137.09604	0.5
137.13269	1.2
147.11667	1.9
149.13258	0.7
156.04195	3.9
161.13277	0.9
163.14845	0.8
175.14822	1.0
177.16319	0.6
193.94325	0.4
230.07956	0.6
242.51674	0.4
245.22745	0.6
263.23743	1.3
337.27368	100.0
338.27698	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	492.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	0.3
55.05517	1.5
56.05037	2.8
57.03442	0.7
57.07066	0.3
58.06602	100.0
59.06936	0.4
65.25362	0.2
67.05508	5.0
69.07074	2.3
71.51173	0.3
76.07647	5.8
76.83821	0.2
79.05499	1.7
81.07051	4.1
83.04977	0.2
83.08614	1.2
91.05492	0.9
93.07036	1.6
95.05003	0.3
95.08603	3.4
95.09173	0.3
97.10162	0.5
105.07054	0.8
107.04964	0.2
107.08620	0.9
109.10166	1.2
119.08613	0.6
121.10188	0.6
123.11768	0.6
133.10153	0.6
135.11772	0.3
147.11749	0.3
156.04262	0.6
157.26678	0.2
163.14893	0.3
184.07425	0.2
230.07907	1.0
250.09627	0.2
320.29626	0.4
337.27374	22.7
338.27811	0.8
474.29822	0.9
492.30673	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	492.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78165	2.5
53.03936	4.6
53.79747	2.9
55.05525	14.3
57.03443	5.3
59.04996	3.5
62.06090	11.1
66.36101	2.3
67.05518	31.3
68.05025	4.3
69.03417	3.4
69.07063	13.2
70.06600	17.0
71.04986	3.3
71.06905	4.0
71.08638	26.2
71.50661	4.1
79.05502	37.6
81.03452	3.2
81.06654	3.2
81.07064	38.0
82.07362	4.3
83.04966	6.9
83.08616	9.7
84.08143	3.3
85.02901	3.6
91.05483	26.4
92.05807	4.9
93.07056	38.9
94.07363	6.1
95.04986	18.7
95.08614	25.2
96.05306	5.2
97.06519	5.2
97.10171	5.5
98.98460	12.2
99.08102	21.5
100.07607	9.8
105.07053	30.8
106.07355	10.4
107.04950	6.0
107.08599	24.1
107.18275	2.6
109.10162	13.8
110.10445	2.9
111.08035	3.8
114.05560	3.3
117.07000	7.6
119.08599	22.4
120.08161	5.8
120.08918	9.7
121.10161	21.2
122.10506	6.5
123.11739	4.1
128.07118	13.9
129.07024	3.1
131.08586	7.1
132.08916	5.5
133.10168	22.4
134.09595	2.9
134.10521	3.0
135.11711	17.5
137.09605	3.4
142.07722	2.9
143.08553	7.6
144.08997	4.5
145.10098	10.9
146.10460	9.5
147.11653	6.3
149.13278	5.1
151.11183	10.8
154.08685	4.7
155.01059	10.2
155.08841	4.1
157.10036	11.3
158.10484	7.3
159.11673	5.6
161.13301	12.8
163.11145	6.0
167.08511	3.2
169.10201	4.2
170.10666	4.6
173.13232	4.5
179.14333	53.6
185.11682	3.1
195.11871	4.0
259.20541	8.5
262.16785	3.1
277.21640	49.7
288.17142	3.0
295.22641	4.8
320.25781	6.3
333.14734	7.0
351.25327	100.0
381.26328	5.4
382.26498	13.7
399.27170	4.4
400.27609	6.1
413.20993	2.8
431.22119	42.3
449.22650	4.8
474.25946	8.0
474.32672	23.4
476.68958	2.9
492.27283	3.7
492.34296	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.6
55.05519	8.4
57.03434	5.7
57.07090	1.8
60.90775	1.2
63.69854	1.4
67.05511	25.4
69.07085	11.0
70.32061	5.2
71.05001	1.5
71.08643	16.9
71.58456	1.1
72.08165	1.6
73.02949	1.6
74.53938	1.1
79.05496	22.4
81.03429	2.1
81.07068	27.2
83.04994	3.6
83.08621	5.2
91.05491	13.1
93.07057	25.3
95.04989	4.1
95.08620	15.0
97.06548	4.5
97.10145	1.9
98.20775	1.5
98.21377	1.9
98.98484	2.9
99.08110	13.6
100.56985	1.2
105.07060	12.7
107.04970	3.2
107.08611	15.0
109.10176	8.9
117.07008	2.1
119.08603	9.7
121.10158	10.7
123.08044	1.6
123.11703	1.4
129.07002	1.9
131.08574	4.8
133.10159	6.6
135.11708	16.5
137.09686	1.5
145.10168	2.3
147.11707	3.5
149.13281	5.7
151.11249	6.9
155.45197	1.3
157.10109	2.2
159.11638	1.6
161.13280	4.5
163.14906	1.5
171.11801	1.7
173.13289	1.6
177.12790	2.5
179.14339	36.2
185.13278	1.3
195.13788	1.4
216.06400	1.8
221.15428	1.8
235.16968	1.6
241.19624	1.4
259.20673	4.0
277.21671	23.4
320.22543	1.2
320.25769	8.0
333.24261	5.9
351.25330	100.0
352.25687	1.9
431.22083	1.8
452.87653	1.3
462.87772	1.4
476.75375	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	492.208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10817	1.3
53.03942	3.8
55.01872	6.6
55.05489	1.5
56.05022	2.5
60.04525	3.1
67.05507	8.6
67.78239	1.2
68.05022	3.5
69.03439	9.1
69.07090	1.4
70.06597	12.7
71.04991	2.4
71.50313	2.0
72.08150	12.1
74.06085	1.3
79.05494	11.8
80.05031	1.5
81.03428	22.3
81.07064	43.6
81.90249	1.5
83.05003	1.9
84.04514	11.4
84.08164	9.1
85.02922	4.8
85.06551	3.0
86.09725	7.4
91.05473	7.4
93.07049	4.5
94.06580	11.7
95.04975	17.2
96.04494	5.4
97.02917	12.3
98.06066	5.5
99.04483	3.5
109.02899	15.9
109.06525	70.2
110.06052	4.4
110.06876	1.2
111.04445	4.5
112.03977	40.9
112.04757	2.2
112.07613	5.6
114.05526	12.7
116.07098	4.3
119.04932	7.0
119.34309	1.4
120.08134	1.7
122.06051	9.9
123.04424	25.7
127.03928	12.0
127.07568	5.8
129.10248	4.1
130.05057	1.8
136.07619	1.9
137.05989	93.6
138.06429	1.4
140.07076	93.1
141.05473	4.0
145.04979	2.5
155.07011	11.3
158.08145	65.0
163.03908	1.6
166.05362	1.5
173.08098	14.1
173.19641	1.5
176.09195	100.0
182.08308	1.6
187.14418	2.3
218.10233	2.7
238.90468	1.4
260.61737	1.3
266.10223	3.2
281.10175	6.2
293.83936	1.4
299.11209	16.7
317.12427	4.4
317.16061	1.6
421.07938	2.1
456.18631	3.0
465.60291	1.4
474.19717	4.8
492.20761	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.7
56.05015	0.7
60.04526	1.0
69.01189	0.7
69.21497	0.6
70.06602	1.8
71.49529	1.1
72.08163	6.8
74.06097	0.9
79.05494	1.7
81.03413	1.0
84.04504	2.4
84.08141	8.3
86.09706	3.2
90.15577	0.7
91.05452	1.3
93.07048	0.9
98.98464	2.9
102.05524	0.7
103.05476	6.8
107.04947	1.9
109.06538	1.0
111.88074	0.7
112.07603	0.7
120.08112	100.0
121.08448	1.4
127.03014	0.8
128.12971	0.7
129.10246	2.5
131.04935	2.3
131.17094	0.7
137.06029	1.4
140.07074	1.7
159.11337	0.7
163.03949	0.9
166.08652	41.7
173.12862	0.9
176.09219	1.4
187.10820	1.2
212.12604	0.7
219.14946	1.6
242.07860	1.4
286.08240	0.8
344.12494	1.3
362.13699	0.8
492.20572	1.5
492.26422	0.5
492.31958	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	491.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60004	1.7
53.03955	2.4
53.40897	1.6
55.05317	1.6
55.05522	19.3
57.03442	12.4
57.07072	5.9
62.08059	1.5
63.38986	1.6
64.67860	2.0
65.03963	1.9
67.05515	56.6
68.41229	1.6
69.07072	18.7
70.68271	4.2
71.08641	2.0
79.05497	17.6
81.03413	2.5
81.07065	57.7
83.04971	2.2
83.08625	11.8
91.05495	8.9
93.07045	21.2
95.04982	2.8
95.08615	51.8
97.06560	3.9
97.10179	5.5
98.98476	80.4
105.07046	9.2
107.08624	14.9
109.10170	21.9
119.08601	6.7
121.10149	11.2
123.11722	9.0
133.10172	6.0
135.11702	5.5
137.00006	6.0
137.13255	4.2
144.01918	1.6
145.10146	3.8
147.11700	6.1
149.13289	3.9
151.14850	3.8
155.01057	83.6
159.11743	2.0
161.13287	5.6
163.14880	3.7
175.14822	2.3
193.02667	2.9
203.05263	1.8
211.03682	6.8
229.04771	4.6
245.22794	9.6
263.23694	15.9
315.84375	2.2
337.27390	100.0
338.27747	2.4
473.26688	15.7
491.36810	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	491.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01887	1.6
55.05516	13.5
57.03425	1.5
57.07090	4.0
59.05008	4.0
65.03960	3.7
67.05511	100.0
69.07079	9.4
70.72765	1.8
71.05007	2.4
71.08643	1.0
73.42069	0.7
79.05500	16.3
81.07063	46.6
83.04996	1.5
83.08623	9.5
85.06552	2.2
91.05498	11.7
93.07054	14.4
95.04990	2.1
95.08615	32.3
96.08999	0.7
97.06554	2.2
97.10173	2.7
99.08102	1.0
105.07043	8.6
107.08613	10.0
107.44295	0.8
109.06581	0.7
109.10168	56.5
111.08092	2.3
117.07031	1.7
119.08597	9.8
121.10161	6.1
123.11719	4.8
125.09632	1.1
129.07007	0.8
131.08586	2.4
133.10156	5.8
135.11688	3.7
137.09615	2.8
137.13283	1.8
139.11176	0.7
143.08566	1.7
145.10175	3.1
147.11700	2.5
149.13268	2.2
154.76285	0.6
155.10681	4.0
157.10104	1.1
159.11760	1.7
160.53345	0.7
161.13271	2.8
163.14822	1.7
171.11681	1.5
173.11743	13.5
173.13197	1.5
175.14819	2.5
177.16386	1.0
185.13213	0.8
189.16269	1.0
203.17863	1.0
229.14377	1.4
245.22620	1.4
256.02832	0.7
261.22208	0.8
263.23715	4.9
273.18506	2.1
274.18762	2.2
319.26477	1.2
338.21979	0.9
353.24402	2.8
364.86389	0.8
399.32486	1.8
417.33847	1.1
473.36060	2.3
491.30115	6.8
491.37320	59.6
492.37280	1.1
513.23224	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91515	0.7
51.02379	1.8
53.03707	1.1
53.03945	11.6
55.01876	14.2
55.05521	11.6
57.03434	3.6
57.07083	1.0
61.87839	0.8
65.03945	7.0
67.05508	72.8
69.03432	2.3
69.07071	15.3
70.06577	2.4
71.01356	1.3
71.04996	5.0
72.08142	1.5
73.02932	1.1
77.03947	1.9
77.53623	0.8
79.05499	66.6
80.05779	0.7
81.03425	24.5
81.07061	52.0
82.92150	0.7
83.04985	19.7
83.08608	6.7
84.08162	2.0
85.02917	2.3
85.06541	3.9
86.09709	2.0
90.86614	0.8
91.05484	45.8
91.55599	1.0
93.03413	1.1
93.07050	62.5
95.01337	5.4
95.04976	30.0
95.08615	30.4
97.02909	2.4
97.06534	20.4
97.10164	2.7
99.04469	3.5
99.08192	1.0
103.05489	3.4
105.04517	1.9
105.07040	17.9
107.04964	75.4
107.08598	34.0
109.02840	1.3
109.06527	8.5
109.10174	4.2
111.04454	8.6
111.08108	2.4
113.06001	1.8
113.51369	0.9
115.05462	3.6
116.06256	0.9
117.07026	30.0
119.07807	1.7
119.08594	21.9
120.08129	0.8
121.06513	7.6
121.10152	47.4
123.04436	3.6
123.08069	1.6
125.05955	3.9
125.09649	2.3
128.06216	2.0
129.07010	10.9
129.10258	1.0
130.07793	5.0
131.04948	9.2
131.08583	14.5
132.05760	1.5
133.06491	1.7
133.10150	3.7
135.08086	5.4
135.11699	53.7
136.12021	1.1
139.07570	1.0
141.07011	1.2
143.08588	4.7
144.05707	1.4
145.06499	17.3
145.10133	63.3
147.08109	3.9
147.11711	1.6
149.09628	8.6
153.07031	2.6
153.12746	5.1
155.06047	2.3
155.08568	19.2
158.07317	2.6
159.07990	0.9
161.09659	1.5
162.68994	0.8
163.11192	82.1
171.11647	1.2
173.09636	51.3
181.12244	19.5
185.09641	0.8
189.09172	1.0
189.11255	1.0
191.10674	26.8
191.12346	1.7
191.14372	1.0
209.09778	2.0
209.11745	26.4
219.13918	2.6
227.12790	57.6
228.13155	1.0
265.14365	100.0
266.14948	2.4
283.15457	10.8
307.65469	0.8
325.21765	1.3
335.20099	1.1
336.09988	0.8
353.21115	2.5
371.22128	1.4
381.20618	1.1
399.21667	1.3
420.34058	0.9
427.25101	1.7
427.46555	0.8
445.25974	3.7
455.23785	1.5
463.27429	0.9
473.25580	9.8
491.26440	62.2
492.26785	2.3
515.47314	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.8
53.03951	13.6
55.01630	1.3
55.01875	15.0
55.02128	1.9
55.05512	11.4
57.03426	3.9
57.07063	1.5
59.05008	1.1
65.03939	3.7
67.05507	71.4
69.03417	1.9
69.07069	14.8
69.37243	4.8
69.37672	3.6
71.01348	1.3
71.04998	4.3
73.02917	1.6
77.03950	1.3
79.05497	72.3
81.03425	27.8
81.07062	52.9
83.04986	18.2
83.08625	5.6
85.02914	1.9
85.06539	4.0
91.05486	44.9
93.07047	65.9
95.01315	4.8
95.04974	34.6
95.08065	1.9
95.08614	24.2
97.02885	2.2
97.06536	17.8
97.10207	1.6
98.21551	1.6
99.04453	4.2
103.05470	3.4
105.04536	2.3
105.07037	20.7
107.04960	76.2
107.08598	36.1
108.05268	1.5
109.06526	8.1
109.10138	3.1
111.04451	9.1
111.08076	4.0
113.06034	2.0
115.05468	3.1
116.06300	1.1
117.06235	2.0
117.07027	29.6
119.08591	20.9
121.06520	9.6
121.10148	46.0
123.04423	4.3
123.08102	1.7
124.56273	1.0
125.05972	3.1
128.06276	1.4
129.06998	11.2
130.07776	4.5
131.04932	7.8
131.08580	14.1
132.05759	1.6
133.06496	1.8
133.10127	4.2
134.89650	1.2
135.08040	4.8
135.11696	53.6
136.12064	1.6
137.05952	1.1
139.07545	1.6
143.08563	3.2
144.05717	2.1
145.06479	19.1
145.10126	64.7
147.08067	4.4
147.11717	2.0
149.05943	1.4
149.09610	10.9
153.06972	2.2
153.12720	6.4
154.07840	1.5
155.06119	1.6
155.08563	20.1
157.10043	1.1
158.07291	2.7
161.09602	1.4
163.11188	86.2
164.11424	1.2
173.08102	2.0
173.09634	53.3
181.12239	17.5
191.10677	26.4
209.11734	27.1
227.12787	56.7
265.14362	100.0
266.14847	2.7
283.15417	10.4
353.21143	2.7
358.50012	1.0
389.23853	1.2
427.24988	2.5
445.25894	4.2
455.24078	1.5
473.25552	9.9
491.26413	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65027	2.1
53.03945	13.3
55.01877	16.8
55.05516	45.9
57.03442	5.0
65.03922	6.6
67.05509	84.0
69.03407	5.5
69.07063	19.1
70.06567	4.3
71.04997	3.5
71.35307	2.2
71.50061	2.9
71.50414	3.4
72.08129	3.1
73.02908	2.5
77.03894	2.9
79.05499	78.2
81.03421	33.4
81.07066	74.4
83.04978	22.6
83.08636	23.8
85.02924	3.0
85.06520	4.6
87.04426	2.6
91.05488	59.5
93.06490	4.2
93.07050	69.5
95.01329	5.6
95.04978	38.6
95.08619	35.4
97.02929	5.1
97.06541	27.4
97.10178	35.3
103.05444	5.1
105.07041	24.4
107.04964	75.4
107.08607	48.7
109.02861	5.7
109.06518	13.4
109.10136	10.5
111.04440	8.9
111.08068	7.8
115.05493	5.1
117.07026	28.5
119.08580	24.6
121.06503	15.2
121.10158	50.8
123.04430	5.1
123.08057	5.3
123.11729	3.2
125.05990	5.3
125.09642	30.5
128.06194	4.1
129.07010	13.8
129.07837	2.2
130.07791	6.5
131.04929	7.5
131.08574	22.1
132.05751	2.2
133.06506	3.6
133.10138	11.9
135.04449	3.8
135.08054	8.6
135.11703	52.0
143.08542	6.0
144.04230	2.4
145.06516	14.7
145.09061	4.6
145.10133	64.3
147.08034	7.2
147.11673	4.4
149.09627	10.3
153.07011	2.5
153.12744	7.0
155.08565	22.7
157.10088	3.6
160.07539	3.2
161.09637	4.5
163.11198	76.3
163.12549	3.7
171.08055	3.5
173.09631	48.3
173.13170	4.7
175.09569	2.5
181.12253	18.8
184.07451	3.5
186.09235	5.1
187.09554	4.8
189.09114	6.6
189.11229	21.8
191.10677	22.1
191.14287	5.6
193.12222	5.1
197.13257	2.8
203.10674	2.7
209.11746	27.4
209.13496	4.5
213.16914	2.3
214.08742	2.9
219.13835	30.9
225.11107	5.8
227.12784	64.0
263.12784	4.8
265.14371	100.0
266.14819	3.4
283.15335	11.9
330.61093	2.9
335.20313	2.6
353.20807	2.6
371.22260	7.4
389.22849	5.6
399.21573	4.6
417.22601	3.6
427.25140	2.8
443.80014	2.5
445.25735	10.7
447.27335	2.7
463.26648	4.2
473.25082	15.8
491.26337	97.0
492.26645	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.0
55.05304	1.2
55.05521	11.0
56.05014	1.6
57.07063	2.2
57.54583	1.3
58.01576	1.3
65.03941	4.3
67.04235	1.4
67.05508	21.8
68.05036	17.0
69.03418	1.6
69.07076	11.3
69.85456	6.1
70.06599	60.9
71.05001	2.3
77.03930	1.6
79.05502	28.9
80.05033	7.8
81.07060	42.3
82.06579	8.2
82.88871	1.5
83.05013	1.8
83.08622	4.0
84.08151	3.1
85.06577	1.5
91.05488	48.6
93.06485	2.8
93.07055	47.8
94.06570	2.9
95.04977	45.9
95.08606	17.9
95.33942	1.3
96.08158	9.9
97.06515	2.3
98.06059	3.0
100.07626	48.2
103.05475	5.4
105.04523	2.8
105.07038	100.0
106.06571	7.1
107.08604	27.8
108.08114	10.2
109.06509	2.7
109.10165	17.2
110.09664	1.6
114.05543	21.1
115.05450	5.2
116.06306	2.8
116.07090	12.9
117.07021	24.3
117.12676	1.6
119.08591	70.9
120.08126	11.0
120.09389	1.8
121.10152	49.4
122.09680	5.9
123.11736	2.6
128.06226	11.4
128.07082	67.8
129.07021	20.2
130.07794	11.7
131.08571	35.9
132.08102	3.4
133.10150	29.8
134.09634	7.6
135.11682	11.2
136.11197	7.1
137.09520	1.7
141.06969	11.4
142.07779	16.8
142.08708	3.7
143.08566	41.0
144.08110	2.0
144.09328	5.9
145.10130	74.6
146.09673	4.6
146.10837	1.6
147.10541	3.6
147.11684	19.5
148.11217	21.5
149.11952	2.5
149.13240	2.9
151.06239	1.5
152.07101	3.6
153.07051	3.1
154.08675	32.7
155.08569	17.1
156.09363	16.4
157.08827	2.7
157.10133	45.2
158.09674	2.7
158.10909	5.1
159.11699	16.7
160.11240	7.2
161.09564	2.1
161.13269	4.5
162.12782	5.7
164.07162	3.4
165.07066	4.9
166.07648	1.8
167.08539	8.9
168.10332	19.0
169.10130	34.6
170.10889	4.0
171.11690	17.0
172.11174	8.2
173.13315	11.2
174.12811	6.2
175.14864	6.9
178.08714	10.3
179.08633	6.2
180.10284	2.7
181.10077	13.6
182.10950	5.2
183.11700	17.8
184.11212	3.0
185.13309	5.7
186.12781	5.5
187.14935	5.2
188.14380	2.1
192.10208	6.4
193.10220	6.2
194.11865	37.1
195.11722	12.3
196.12447	5.9
197.13275	8.5
198.12877	3.0
199.14919	2.8
200.14413	2.6
200.58662	1.4
201.16426	3.9
205.10100	2.1
206.11784	5.3
207.11655	6.9
209.13310	18.8
211.14864	13.8
212.14304	4.7
214.15805	2.0
216.10182	3.5
218.11783	8.6
219.12450	3.4
220.13307	5.7
221.13271	3.1
223.14844	5.6
226.15895	7.8
230.11836	3.5
232.13405	5.2
233.13660	2.4
234.14986	1.7
235.14885	5.1
237.16438	5.7
238.15916	1.6
239.17995	2.9
242.11919	1.6
244.13261	3.6
245.13474	2.5
246.14552	2.3
247.15117	1.4
252.17589	2.4
256.13345	6.0
258.14929	10.8
259.15640	4.6
260.16458	19.5
265.19595	3.6
270.14914	4.4
271.15771	8.2
272.16553	3.1
274.17960	4.0
275.17944	3.1
284.16476	8.7
288.19424	3.0
291.20999	3.0
309.04559	1.6
314.21210	3.5
328.25092	1.7
331.24368	2.3
337.20346	1.9
350.21198	5.1
352.22849	5.2
357.25870	3.2
366.24304	2.4
375.26938	1.8
380.21762	1.4
380.25861	87.1
398.26907	37.8
428.33246	5.1
472.32150	93.1
473.32419	2.5
490.33224	68.7
491.34012	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	490.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83675	2.4
53.03953	4.0
55.05513	18.5
65.03940	3.7
67.05508	26.5
68.05029	13.5
69.07060	11.1
70.06595	58.0
70.38380	5.8
70.38747	5.9
72.08187	3.5
72.50521	3.0
79.05501	33.7
80.05022	6.8
81.07056	50.6
82.06584	8.4
83.04971	2.8
83.08604	6.9
84.08121	2.9
86.21741	2.9
91.05483	43.1
93.07046	47.8
94.06575	5.4
95.04976	37.3
95.08614	18.9
96.08150	11.8
100.07617	56.6
103.05517	4.1
105.07034	96.3
106.06546	7.2
107.08591	22.1
108.08113	8.6
109.06546	3.2
109.10143	17.1
114.05536	21.3
115.05476	6.5
116.06349	3.2
116.07103	12.5
117.07014	22.3
119.08591	78.1
119.09465	4.0
120.08141	11.2
121.10152	45.2
122.09633	2.6
123.11687	3.2
128.06242	8.1
128.07085	66.4
128.07988	6.1
129.07005	21.4
130.07796	11.5
131.08588	34.1
132.08139	3.4
132.25047	2.7
133.10150	28.3
134.09665	7.2
135.08134	3.1
135.11732	10.5
136.11220	8.8
141.06972	8.9
142.07759	15.9
143.08569	43.2
144.09332	10.2
145.09032	2.2
145.10127	60.6
146.09673	6.6
147.04443	4.6
147.11694	18.0
148.11180	20.1
151.06241	4.0
153.06921	3.8
154.08707	27.9
155.08493	17.8
156.09306	16.6
157.10149	40.8
158.09685	3.8
158.10898	5.3
159.11716	21.0
160.11253	6.8
161.13283	5.1
165.07021	4.5
167.08603	7.7
168.10405	13.9
169.10164	28.9
171.11722	17.8
171.13033	2.8
172.11253	7.9
173.13278	9.0
174.12793	8.6
175.14877	4.7
178.08675	10.7
179.06844	3.0
179.08551	8.4
181.10112	11.6
182.10886	5.4
183.11711	15.3
184.07359	5.5
185.13358	7.7
186.12733	5.5
187.14847	5.5
188.14328	3.7
192.10176	8.1
193.10139	10.7
194.11887	30.0
195.11746	14.1
196.12518	4.7
197.13300	8.8
199.14861	3.4
201.16382	3.3
206.11665	4.6
207.11710	5.0
209.13298	16.9
211.14923	13.9
214.15877	5.4
218.11807	9.3
219.12213	3.8
220.13318	5.2
223.14949	3.4
226.15891	6.6
232.13269	3.7
235.14861	5.5
237.16295	3.2
244.13252	4.1
258.14966	9.2
259.15707	4.8
260.16525	15.1
271.15710	5.6
272.16589	4.6
274.17984	4.8
284.16434	7.3
318.24838	4.3
319.80820	3.1
350.21014	4.8
352.22778	5.0
380.25864	93.0
398.26907	12.1
428.33252	8.3
472.32153	100.0
473.32260	4.5
490.26266	5.0
490.33093	49.3
514.13702	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	490.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81769	0.5
53.03938	1.6
55.01872	0.5
55.05518	7.5
56.05035	0.8
57.03440	7.2
57.07068	0.8
58.06602	26.2
58.20267	0.4
59.04985	0.7
65.03930	1.4
67.05506	31.7
69.06732	0.7
69.07066	7.5
69.85555	2.1
70.06598	0.7
71.04985	0.9
75.05276	0.4
79.05495	16.3
81.07056	25.0
81.53578	0.4
81.57336	0.4
83.04971	0.6
83.08624	3.0
85.06536	0.7
91.05483	9.0
93.07042	17.5
95.04965	1.7
95.08609	20.3
97.06520	0.8
97.10170	0.8
105.07022	4.9
107.08598	7.3
109.06527	0.6
109.09476	0.6
109.10163	7.3
111.08035	0.4
117.07005	1.3
119.08566	3.8
121.10149	6.2
123.08053	0.7
123.11708	2.0
128.07080	0.7
131.08572	2.9
133.10146	2.7
135.11723	2.8
137.13205	0.6
143.08548	0.7
145.10103	2.0
147.11676	0.9
149.13266	0.9
156.04202	3.7
159.11716	1.1
161.13268	0.7
173.13264	1.1
175.76343	0.4
184.07454	0.8
210.71893	0.4
230.07877	0.5
261.22095	0.5
335.25797	100.0
336.26160	2.2
380.25565	1.0
398.27155	0.6
458.24139	0.4
472.32245	0.9
490.33121	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.4
56.05037	2.7
57.03426	0.5
58.06606	100.0
59.06928	0.8
67.05512	4.9
69.07063	1.1
70.06606	0.4
71.04981	0.5
71.50324	0.5
75.44882	0.4
76.07652	5.4
79.05499	2.9
81.07067	4.2
83.04987	0.3
83.08601	0.8
91.05486	1.9
93.07047	4.1
95.04984	0.4
95.08614	3.1
97.10138	0.5
105.07030	1.4
107.08588	1.4
109.10155	1.5
117.07024	0.5
119.08567	1.1
121.10165	1.8
131.08549	0.7
133.10136	0.9
138.85098	0.4
147.11734	0.9
149.13322	0.4
156.04131	0.5
161.13271	0.5
171.50873	0.4
184.07315	0.9
217.19470	0.4
218.19890	0.5
230.08011	0.8
303.47952	0.4
335.25845	19.8
336.26044	0.5
472.28369	1.0
490.29321	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.5
56.05029	0.5
58.06612	0.6
60.07887	0.5
60.08166	6.2
67.05505	0.7
69.26413	0.2
70.06580	0.2
70.11913	0.3
70.67694	0.4
70.68017	0.6
71.07384	3.2
78.25904	0.2
79.05483	0.8
79.11206	0.3
81.07059	0.5
86.09711	29.9
86.12701	0.3
91.05487	0.7
93.07046	0.4
95.04963	0.3
95.08595	0.4
97.02681	0.3
98.98471	4.0
100.07613	0.3
104.10733	3.1
105.07036	0.5
107.83674	0.3
108.13816	0.3
121.10121	0.4
125.00012	22.2
149.02344	1.4
163.54610	0.3
184.07352	100.0
185.07622	0.4
204.45747	0.3
322.15842	0.3
472.28152	0.7
473.14169	0.6
490.29498	1.4
491.30286	0.5
491.79556	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.9
56.05019	1.2
56.16027	0.3
57.03443	0.5
58.06604	1.5
59.07391	0.5
60.08165	19.1
67.05498	3.3
70.00132	0.8
70.00522	0.8
70.06580	0.5
71.07377	7.4
79.05496	3.2
81.07071	2.4
86.09708	51.2
91.05515	1.6
93.07042	3.2
95.08617	1.9
98.20937	0.5
98.98468	4.7
104.10745	100.0
105.07017	0.7
105.11103	0.5
107.08590	0.8
119.08588	0.6
121.10163	0.9
125.00005	30.6
131.08554	0.3
134.86761	0.4
136.30943	0.5
145.10141	0.4
151.79987	0.3
163.01556	0.5
184.07344	96.9
185.07672	0.6
228.09064	0.4
248.24300	0.3
258.11075	1.4
307.22586	1.2
472.28238	7.3
490.29276	20.7
491.29520	0.6
517.32281	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01865	1.3
55.05521	4.7
56.05032	8.3
58.06603	4.9
60.04523	2.2
65.03928	0.8
67.05493	2.3
69.03424	1.1
69.07066	7.6
70.06589	11.2
70.33575	3.1
71.04996	1.5
72.08157	48.0
73.04042	2.0
74.06080	24.3
75.05602	8.3
79.05494	4.7
80.04980	0.8
81.03416	1.9
81.07054	1.8
82.06614	1.1
83.04984	1.9
84.04505	10.3
84.08146	9.1
85.02897	1.1
85.04873	0.8
85.06530	5.9
86.06055	0.7
86.09708	74.0
87.05605	2.0
87.10027	1.8
88.04004	1.3
91.05482	3.4
93.07033	1.7
95.04957	1.4
95.08595	1.0
96.04494	1.1
97.06544	1.2
98.06083	1.8
99.04452	2.7
100.07554	0.7
101.07146	19.2
102.05557	5.5
105.07063	0.9
107.04976	4.0
107.08602	5.2
108.08138	0.8
109.06524	1.8
110.07169	1.1
110.09679	5.9
111.08074	6.5
112.03963	2.5
112.07605	2.4
112.11249	3.5
114.09229	1.1
116.07038	0.8
117.07025	0.8
117.97930	0.8
120.06583	10.7
120.08066	1.2
122.06036	1.0
123.04455	1.9
125.09633	3.5
128.10722	15.7
129.10240	13.3
130.04945	1.4
130.08614	1.0
131.71855	0.7
135.08057	13.8
136.07565	1.1
137.08057	0.7
140.07056	6.1
141.10248	1.3
143.04555	0.9
143.11798	45.9
147.04445	0.9
153.09135	6.8
155.11771	2.5
157.09756	1.7
158.08150	2.9
159.11317	4.6
163.03908	0.8
171.11304	26.5
173.12866	100.0
176.09186	7.8
183.11314	1.3
187.07198	1.3
187.10809	2.8
196.10793	1.0
197.09273	1.1
201.12343	47.7
215.13914	1.9
229.11838	2.7
230.12041	1.1
233.14905	2.2
240.13315	1.5
244.13115	1.3
246.03941	3.5
252.17043	0.9
258.14508	44.6
259.14874	0.8
262.14700	1.5
272.16068	10.4
286.13882	5.0
290.17035	6.8
297.13391	1.7
315.14288	2.7
316.08115	2.6
325.22372	0.9
329.21661	1.0
343.19403	1.6
343.23401	24.3
349.09094	0.9
353.21796	1.1
357.21512	1.0
371.08743	0.8
371.22910	14.0
385.20825	0.9
472.27930	1.1
488.55933	0.8
490.07513	3.0
490.13928	2.6
490.22937	4.9
490.29138	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	490.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25518	1.5
52.00695	1.3
52.92400	1.6
55.05520	3.1
56.05033	3.2
59.05002	8.1
67.05507	2.1
67.15032	1.5
69.03436	2.3
69.07058	1.8
69.61992	1.5
70.06599	29.1
71.02818	2.9
71.03156	2.6
71.05010	2.7
71.06903	2.0
72.08163	17.9
73.06573	2.4
73.52640	1.6
74.06070	2.5
81.07072	2.0
84.04505	9.8
84.08147	19.1
86.09706	35.8
87.04470	35.0
87.10033	5.1
89.06037	80.5
91.05479	3.8
92.36047	1.5
102.05560	4.7
103.03951	100.0
103.07574	2.3
107.04960	4.8
110.07159	4.7
120.08114	6.2
121.08637	2.5
123.04424	2.6
123.64462	1.8
129.10266	6.3
131.07079	9.6
132.10146	2.7
133.06149	1.5
133.08614	47.3
136.07587	6.1
137.05988	12.7
142.08620	2.1
147.06531	11.6
163.09717	2.9
173.12999	2.0
175.07487	2.8
175.09686	5.6
177.11235	20.2
191.09143	7.4
199.21088	1.9
201.05447	4.1
201.12442	2.5
207.12296	3.7
219.12439	2.1
221.13850	2.0
235.11812	7.2
245.07747	4.2
246.08289	2.2
279.14651	2.2
455.01227	1.7
473.25827	6.7
490.18408	5.2
490.27206	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	489.3581
Annotation	Cimigenol
Peak:m/z	Relative Intensity
51.76094	0.9
52.12727	0.9
53.03941	2.9
55.01870	3.2
55.05518	15.3
57.03430	5.4
57.07080	2.2
58.78375	1.0
63.49260	1.0
63.50923	0.9
65.03925	1.4
67.05510	40.4
69.03454	1.2
69.07077	15.0
71.05009	2.4
71.08643	1.1
71.51089	1.6
79.05070	1.7
79.05499	24.4
81.06588	2.2
81.07060	35.8
83.04988	2.8
83.08623	9.8
85.06527	1.7
91.05489	26.8
93.07050	30.6
95.04970	3.0
95.08614	28.1
97.06547	3.7
97.10184	2.5
99.08100	1.6
105.07039	30.1
107.08607	19.9
107.25819	1.1
109.06547	1.8
109.10161	19.5
111.08096	3.2
115.05473	1.1
117.07024	8.9
119.08591	25.7
119.60863	1.0
121.10146	16.9
123.08088	2.9
123.11695	3.7
125.09605	1.9
128.06232	1.6
129.07007	8.7
131.08560	18.7
133.10141	24.0
135.08066	2.2
135.11691	10.1
137.09644	2.0
137.13272	1.4
141.06992	2.5
142.07869	1.3
143.08580	7.9
145.10126	19.7
147.11684	16.2
147.12798	1.2
149.09628	1.8
149.13260	4.5
151.11275	1.1
155.08592	4.3
157.01845	1.2
157.10117	8.4
159.11696	16.6
161.13246	8.3
163.11185	1.6
163.14793	3.5
165.12766	1.4
169.10164	4.0
171.11685	9.8
173.11879	2.0
173.13287	13.3
175.11235	1.2
175.14851	6.2
177.12816	1.3
181.10158	1.3
183.11711	4.3
185.13252	6.2
187.14844	8.5
189.16409	2.3
191.18062	1.4
195.11607	1.2
197.13266	4.8
199.14864	4.3
201.16383	5.0
203.18027	2.0
211.14880	2.8
213.14714	1.3
213.16484	4.7
215.17986	2.5
217.15845	1.8
220.09961	1.2
225.16435	3.2
227.18103	1.6
231.17355	2.4
241.17836	2.3
245.18976	2.2
259.20642	2.2
263.20306	1.1
267.21158	1.7
271.20758	2.2
273.22223	2.0
285.22269	2.8
287.23508	1.4
289.21695	1.6
297.22339	1.4
299.23764	4.5
301.25339	1.3
303.23206	1.7
305.21118	1.3
309.58673	1.1
311.23834	1.4
313.21442	1.1
313.25262	2.8
317.24945	1.4
323.23941	1.3
377.27008	5.7
379.30048	7.0
391.28638	3.5
397.31076	20.7
405.30215	1.9
415.32278	5.1
453.33774	1.7
471.34641	20.6
489.35791	100.0
490.36084	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	489.358
Annotation	Cimigenol
Peak:m/z	Relative Intensity
50.37350	0.8
50.89391	0.8
53.03936	2.4
55.01862	1.6
55.05275	1.5
55.05516	21.9
57.03440	6.2
57.07072	2.7
59.04996	1.9
64.29437	0.8
65.03934	3.4
67.05511	55.5
69.03410	0.9
69.06735	1.1
69.07075	15.6
71.04990	3.5
74.66953	0.8
79.05499	30.5
81.03436	1.3
81.07063	46.2
83.04980	2.5
83.08621	9.4
85.06532	2.9
91.04907	1.3
91.05484	26.9
93.07049	34.8
95.04980	3.1
95.08616	29.5
97.06562	4.4
97.10184	3.6
98.20728	1.9
99.08107	1.5
103.05493	0.9
105.07038	27.2
107.08601	18.9
109.06512	1.9
109.10167	28.2
111.08080	2.1
111.11719	1.3
112.41370	0.9
115.05488	0.9
117.07035	10.4
117.93473	1.0
119.08599	27.7
121.10151	16.9
123.08097	2.6
123.11735	4.9
125.09669	2.2
128.06175	1.5
129.07007	7.6
131.08580	21.0
133.10149	19.5
135.08078	1.7
135.11703	9.6
137.09619	2.4
139.11174	1.3
141.06981	1.6
142.07826	2.3
143.08568	8.8
145.10126	18.0
145.11282	1.1
147.11700	15.0
149.09610	1.4
149.13274	6.1
150.49007	0.9
151.11224	1.1
155.08572	4.3
155.10698	2.3
157.10143	9.9
159.11717	13.2
161.09648	1.0
161.13301	7.1
163.11180	1.4
163.14816	2.7
167.08575	1.2
169.10104	4.7
171.11684	9.2
171.64966	0.9
173.11763	4.5
173.13287	10.3
175.11177	1.6
175.14870	3.7
177.12700	1.5
181.09904	1.0
183.11763	4.8
185.11763	1.9
185.13284	7.1
187.14804	5.4
189.12827	1.1
189.16359	2.2
191.14256	1.4
197.13318	3.5
199.13293	1.1
199.14760	5.1
201.16400	2.6
211.14873	3.4
213.14659	1.1
213.16446	3.5
215.17935	2.2
219.17625	1.2
225.16479	1.5
227.18077	2.0
231.17422	3.1
233.18988	1.2
237.16281	1.2
239.18044	1.2
243.21161	2.0
245.19104	1.9
253.19687	1.3
259.20621	1.7
261.22202	3.2
271.20560	1.9
273.22214	1.6
275.20313	1.2
285.22263	3.6
297.22339	1.4
299.20401	1.2
299.23611	4.7
301.21677	1.6
303.23343	1.5
315.23364	1.3
317.24857	1.7
319.23093	1.0
327.23334	1.1
329.24817	0.9
359.25986	1.2
363.25299	1.4
373.27640	1.0
377.26801	5.2
379.29843	8.8
389.19696	0.9
391.28378	4.8
397.31055	20.2
399.32141	1.0
415.32153	5.5
419.28003	1.1
433.33240	1.6
435.32599	1.1
453.33594	1.2
471.34805	17.2
489.35791	100.0
490.36011	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	489.2828
Annotation	Asn Ser Leu Arg
Peak:m/z	Relative Intensity
55.01888	0.7
55.05504	1.1
67.05484	2.0
69.07037	0.8
69.32483	1.0
69.32883	4.1
74.01430	0.6
75.65039	0.7
79.05486	1.6
81.07059	2.6
82.25690	0.6
83.08636	0.6
91.05486	1.7
91.76483	0.5
93.07040	1.7
95.08603	1.5
105.07075	1.0
107.08625	0.6
109.10181	0.7
119.04965	2.3
121.10135	1.5
133.10172	0.7
141.38762	0.6
147.04420	10.3
150.35538	0.6
165.05486	2.0
171.33871	0.7
182.01669	0.6
184.07283	1.0
201.03709	32.1
203.05286	13.9
309.21970	1.2
311.23489	4.4
325.23611	1.4
366.76993	0.6
489.28271	100.0
490.28574	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.9
55.01873	10.9
55.05517	38.1
57.03439	25.6
57.07071	12.6
59.05007	5.8
61.02927	62.1
65.03939	4.9
67.05177	7.6
67.05508	91.3
69.03443	33.0
69.07071	38.1
69.36625	21.1
69.37029	12.5
70.06580	8.2
71.05014	6.3
71.08658	6.7
72.08157	7.8
73.02933	39.6
79.05505	51.8
81.03423	24.5
81.07063	100.0
83.04978	6.2
83.08619	18.9
85.02911	66.7
85.06548	7.8
86.09729	5.6
91.03967	36.6
91.05482	41.0
93.07053	37.6
95.04962	7.5
95.08617	68.4
97.02902	46.2
97.06552	10.1
97.10160	14.0
98.20673	7.4
98.21303	17.0
99.04470	9.6
99.08096	8.2
101.02391	10.2
103.03953	18.9
105.07019	24.1
107.08611	24.2
109.02894	12.7
109.06517	4.4
109.10168	29.0
111.04527	4.4
111.08039	6.6
111.11731	5.4
113.09683	4.5
117.07096	5.2
119.08598	25.8
121.10154	20.5
123.11723	16.0
127.03936	24.4
129.05473	9.7
131.08514	9.0
132.00237	5.2
133.10141	31.8
135.08043	5.7
135.11708	24.5
137.09668	5.3
137.13258	7.2
139.11145	4.6
145.04985	9.1
145.10173	9.8
147.11691	15.8
149.13303	9.6
151.14825	14.7
153.86647	4.6
161.13281	14.9
174.93256	7.0
175.14751	4.9
179.00598	6.1
179.10825	5.3
184.07373	14.9
187.76622	4.8
192.94427	11.6
217.19540	51.5
235.20580	51.0
283.00116	5.5
284.00647	18.0
287.91702	10.8
288.91925	10.3
297.03674	6.1
309.15076	10.0
309.24316	55.0
327.16260	10.9
327.25327	37.5
457.92853	15.3
480.69217	5.3
489.30267	15.9
505.58517	5.3
512.16913	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	489.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
55.01879	1.6
55.05516	13.1
57.03444	13.4
57.07061	3.0
65.03937	2.4
67.05511	58.0
69.00466	1.0
69.07069	11.0
70.90688	2.5
71.04980	1.7
72.08158	7.8
72.76062	1.3
73.08463	2.0
78.57043	1.2
79.05502	36.7
81.03422	1.4
81.07061	58.2
83.05000	1.9
83.08627	7.1
85.06532	2.0
91.05492	23.9
93.07053	48.9
95.04961	2.5
95.08613	42.1
97.06523	2.6
97.10152	3.2
98.98474	72.1
105.07039	19.7
107.08604	28.2
109.10172	24.8
111.08093	1.7
111.34569	1.2
117.07037	7.8
119.06062	1.1
119.08571	16.7
120.40833	1.1
121.09328	1.8
121.10155	22.9
121.11000	0.9
123.08054	1.9
123.11710	8.3
129.05544	1.2
129.07013	1.6
131.08588	15.4
133.10141	14.3
135.11697	18.4
136.99995	5.1
137.13278	2.8
139.11238	1.3
141.06999	1.6
143.08530	1.5
145.10144	15.3
147.11685	9.1
149.09642	2.5
149.13278	13.8
151.11195	1.3
155.01054	62.0
159.11684	10.8
161.13287	8.7
163.14816	8.3
173.13281	10.7
175.14833	4.5
177.12772	1.2
184.07326	1.8
185.13335	1.9
187.14828	5.9
191.14214	1.3
201.16460	2.6
211.03667	4.2
229.04747	6.6
233.22580	2.7
243.21098	19.2
259.20639	1.5
261.22162	35.8
279.23233	2.3
299.23691	1.8
317.24756	14.8
335.25827	100.0
336.26172	2.1
415.22360	5.0
471.25189	16.8
485.55057	1.2
489.35522	7.5
489.43051	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	488.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88316	0.5
57.03447	5.2
59.05008	100.0
69.03446	1.1
70.06611	2.7
70.56020	1.0
72.08160	3.5
73.02951	0.6
81.03419	0.7
84.04572	0.6
84.08156	2.4
85.02922	3.8
86.09734	3.1
97.02930	1.7
99.04478	0.9
99.08101	1.1
101.09691	1.3
115.07610	1.1
117.09146	29.2
118.30530	0.5
120.08118	1.0
127.03947	1.0
129.10297	2.2
145.05023	0.9
175.13322	13.8
175.14748	0.8
193.14323	3.2
202.41998	0.5
223.44763	0.5
233.17578	2.5
251.18715	1.3
309.22748	27.6
315.20135	0.6
403.97641	0.5
488.31314	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38897	0.4
55.05508	1.0
56.05035	1.1
58.06598	0.4
60.04541	0.6
60.19374	0.4
69.07082	6.1
69.43526	3.3
70.02952	0.8
70.06254	0.8
70.06602	8.2
71.04973	0.5
72.08162	6.1
73.02921	1.0
73.08503	0.7
74.06084	0.7
79.05484	0.5
84.04509	6.3
84.08154	4.8
85.02895	0.7
85.06523	0.4
86.09716	100.0
87.10059	1.2
88.03995	4.3
93.07072	0.4
95.08648	0.5
96.08160	1.1
98.02406	1.1
98.06052	0.6
98.21497	0.9
98.97640	0.7
100.04003	0.8
100.11212	0.5
102.05565	3.8
102.32084	0.4
104.05386	0.5
107.04958	0.5
107.08618	0.7
110.07193	0.9
112.08765	0.5
112.84391	0.4
113.10829	0.7
116.07088	0.6
119.04975	0.5
120.08121	1.3
123.04441	0.9
126.09242	0.5
129.10271	2.2
130.05035	1.2
132.10228	1.7
136.07582	1.1
138.09189	1.4
141.06619	0.7
141.10269	3.6
142.08661	0.9
147.04414	0.9
148.06046	4.9
155.11768	0.6
156.10199	3.3
157.13490	0.7
165.05493	0.7
183.11295	3.1
184.09741	0.8
195.46545	0.5
197.12950	1.9
199.18141	0.8
201.12366	24.6
206.11836	0.5
211.10924	0.5
215.13960	1.8
217.08313	0.8
227.17540	0.5
229.11876	23.8
230.11517	0.8
243.13437	6.5
245.07721	1.0
247.12993	1.8
260.91501	0.5
261.14484	16.6
296.19830	0.6
297.18207	0.9
342.20166	3.6
358.16315	1.8
425.63565	0.4
489.19308	1.3
489.25897	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.1
55.01873	4.4
55.05520	27.2
57.07085	7.5
67.05506	27.5
69.03435	24.9
69.07076	13.5
70.14044	12.0
79.05500	26.3
81.07071	42.2
83.05021	4.1
83.08628	21.5
85.06554	8.0
91.05493	27.4
93.07054	26.7
95.04972	5.9
95.08618	41.7
95.55807	3.3
97.06557	17.3
105.07040	37.9
107.04970	7.6
107.08611	45.5
109.06553	18.1
109.10182	40.2
111.04382	4.5
111.08070	18.1
117.07050	8.9
119.08572	24.6
121.06506	20.4
121.10133	19.6
123.08035	5.6
123.11756	8.0
125.09648	34.8
127.11230	8.3
128.06223	13.2
129.07021	9.5
129.09119	7.3
131.08595	20.7
132.59003	3.4
133.06587	8.5
133.10135	24.7
135.08076	11.6
135.11684	8.5
141.07016	8.1
142.07809	6.5
143.08586	23.8
145.06519	6.7
145.10150	15.4
147.08089	10.1
147.11717	22.2
149.13319	4.1
153.07028	4.6
153.09161	14.9
155.08601	11.9
157.10159	10.7
159.08093	15.5
159.11710	12.2
161.09656	9.8
161.13242	5.2
164.60542	4.2
165.06996	11.7
166.07765	5.6
167.08562	9.7
169.10164	15.3
171.08067	100.0
171.11740	13.4
173.09708	9.5
173.13206	7.7
175.11130	6.1
178.07799	7.0
179.08600	11.8
180.09404	5.4
181.10144	15.4
183.08003	9.7
183.11754	14.6
184.07457	6.9
185.09659	9.6
185.13232	7.3
187.14856	3.6
191.08601	4.6
192.09351	5.1
193.10178	10.0
194.07266	6.2
194.10910	6.2
195.08124	13.3
195.11745	15.1
196.08873	8.1
196.12534	5.1
197.09665	36.9
197.13277	8.2
199.11195	6.5
204.09299	4.1
205.10170	18.2
207.11661	8.9
208.08821	9.5
209.09680	23.6
209.13214	5.4
211.11200	31.1
211.14871	5.0
213.12743	9.7
215.10716	6.0
217.10095	5.1
219.11649	6.9
221.09654	25.4
221.13252	4.7
222.10374	9.3
223.11197	47.8
223.14844	6.0
225.12785	8.0
230.10951	9.3
231.11702	7.1
232.12485	5.9
233.09691	5.9
234.10483	5.2
235.11247	13.9
235.14902	5.3
237.12778	26.1
239.14247	6.5
245.13274	9.6
247.11237	5.9
247.14861	13.7
248.12054	5.1
249.12788	17.0
251.14316	8.4
261.12732	11.9
263.14362	42.8
264.15137	5.1
265.15912	50.6
266.64978	3.6
277.15991	8.6
279.13797	4.8
281.15445	10.5
283.16846	10.8
289.16003	6.9
291.17462	13.8
299.16415	5.6
305.19046	10.8
317.18939	5.9
319.20642	4.8
341.21292	4.0
344.41980	3.9
371.23871	9.9
389.24811	7.4
399.23251	9.9
407.25735	9.8
417.24054	17.1
435.25296	27.4
488.29965	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.01876	1.3
55.05510	2.0
56.05029	3.3
57.03445	1.2
58.01073	0.7
60.04532	1.7
63.52369	0.8
65.03932	1.1
67.05502	1.5
68.05022	2.2
69.03446	3.5
69.07074	8.2
70.02974	0.9
70.06597	13.7
71.05000	4.7
71.49731	0.8
72.08159	17.8
73.02911	0.9
74.06083	1.5
77.03896	0.8
79.05494	12.1
80.05016	2.7
81.03420	6.2
81.07076	1.6
83.04972	0.9
83.06118	1.8
83.59425	0.7
84.03999	0.9
84.04507	16.0
84.08155	22.6
85.02930	4.1
86.09711	100.0
87.05595	2.6
87.10029	1.4
88.04000	2.8
91.05490	10.8
92.37764	0.7
93.07050	13.7
93.07628	0.8
95.04967	3.9
96.04530	0.7
96.08119	0.9
97.02895	3.8
97.06525	2.0
98.06064	8.6
99.04453	4.8
100.07658	1.0
101.00268	0.7
101.07151	2.3
102.05540	5.3
103.05482	3.1
105.04559	0.9
105.07057	5.0
106.29710	0.7
107.04959	6.9
107.08673	1.0
109.02888	2.0
110.07172	3.1
111.09238	0.8
112.11251	1.4
114.14423	0.7
116.07063	3.5
120.08152	1.2
121.06512	56.4
123.08081	0.8
124.07603	2.2
125.06003	25.5
127.03938	2.4
129.06613	1.5
129.10251	19.5
130.04994	11.9
131.11798	1.0
133.06036	7.5
133.15244	0.8
136.07559	1.2
138.09169	0.9
140.07066	1.4
141.06578	1.0
141.10258	2.3
142.08643	52.5
143.11823	1.2
143.78252	0.8
145.04993	0.9
147.04457	1.4
147.07649	17.8
149.05988	18.0
151.07626	1.1
154.37091	0.7
156.10255	2.8
160.09705	25.7
162.07660	1.0
163.03893	0.8
167.07033	16.6
170.11797	0.9
171.11302	0.9
173.12964	0.8
176.09311	0.9
183.11337	2.3
184.10950	1.0
185.08084	4.1
187.14490	1.5
197.12926	2.6
197.16652	0.9
199.18112	1.1
201.12358	13.6
209.09299	2.5
209.70074	0.7
215.13907	11.1
225.12450	0.8
226.11948	3.1
228.13480	2.7
229.11859	11.7
242.15005	2.1
243.13417	14.3
244.12904	3.9
245.18770	1.1
246.14468	9.1
250.10719	1.4
260.16058	9.1
260.18695	0.9
261.14398	1.1
270.18076	0.9
294.04178	0.9
296.04071	1.9
311.11279	5.3
315.46454	0.8
329.12418	2.8
339.20428	2.5
342.20300	1.9
356.22128	1.1
357.17487	1.2
357.21512	4.2
375.23322	0.8
434.18118	1.2
452.19131	0.9
470.09799	7.0
470.20355	4.5
488.20947	18.2
488.30988	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	487.3426
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
51.84766	1.8
55.05506	8.8
57.03429	6.3
59.05006	88.3
67.05517	10.1
69.03454	4.8
69.07082	14.8
70.06599	67.3
70.27511	7.5
70.27882	2.0
71.04984	2.0
71.06923	6.4
72.08170	15.0
79.05491	14.1
81.03437	2.8
81.07069	27.3
83.05005	3.9
83.08619	6.1
84.04510	6.4
84.08147	16.2
85.02913	7.8
86.09712	100.0
87.10034	10.0
87.72063	1.9
88.03995	3.0
91.05495	17.6
93.07050	30.4
95.04976	3.8
95.08609	33.7
97.02908	2.7
97.06525	4.2
97.10209	2.4
99.06758	2.1
99.08095	2.3
101.09590	2.2
105.07043	42.7
107.08599	34.9
109.06533	3.0
109.10159	15.8
110.15894	1.8
111.08080	5.2
111.15883	2.1
114.09158	5.2
115.07557	4.8
115.08695	2.2
115.09477	2.3
116.07065	2.7
117.06988	9.7
117.09134	25.8
119.08589	53.4
120.08110	6.3
121.06539	3.4
121.10151	22.9
123.08130	2.9
123.11730	6.0
125.09650	5.8
129.07028	2.6
129.10251	9.8
131.08606	24.4
133.10135	30.9
135.08046	4.3
135.11685	10.1
136.07417	2.0
137.09622	3.0
142.07782	2.8
143.08510	10.3
145.09058	1.6
145.10127	42.1
147.11697	19.1
148.36145	2.1
149.09621	3.5
149.13246	5.9
156.09352	3.3
157.10127	16.9
158.10870	2.5
159.11694	32.1
161.09660	2.5
161.13266	20.3
163.11186	2.2
163.14868	9.7
169.10132	2.4
171.11693	13.8
173.13275	27.2
175.13322	14.1
175.14841	27.6
177.05548	2.8
177.16403	15.1
179.14322	4.2
181.09874	2.1
183.11697	3.0
185.13292	11.1
187.14818	30.0
189.12816	2.8
189.16415	12.8
191.14348	11.6
193.15935	3.8
195.11624	2.2
197.13315	4.9
199.14816	19.3
199.17969	12.0
200.18445	5.0
201.16400	24.8
203.14366	14.9
203.17969	8.0
205.15907	26.7
211.14772	4.0
213.16385	15.1
215.14366	4.9
215.17946	2.7
217.15851	8.9
219.17441	14.5
221.15460	9.7
225.16370	3.2
227.17787	5.1
229.15561	14.3
230.15889	4.0
231.17468	10.3
233.17358	2.5
247.16635	2.7
265.17929	4.1
309.22772	26.3
325.25552	3.2
343.22882	3.3
393.31387	8.1
395.32950	2.4
405.31436	9.1
411.32614	7.6
423.32837	16.8
439.32074	5.7
441.33597	5.6
451.31985	17.0
469.33289	17.1
471.13739	2.3
487.21790	21.3
487.33417	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	487.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	12.2
55.05513	32.4
57.03439	10.3
57.07072	5.3
61.02918	8.2
65.03924	7.8
67.05512	92.7
68.02177	6.0
69.03414	15.1
69.07056	17.0
71.05003	10.2
71.28637	8.9
71.28987	6.5
73.02895	6.5
79.05496	75.8
81.03399	22.1
81.06663	7.9
81.07066	97.1
83.04977	10.4
83.08603	7.4
85.02895	6.9
85.06547	10.9
91.03933	8.0
91.05486	49.1
93.07050	100.0
95.04955	13.9
95.08611	57.8
97.02905	7.4
97.06527	11.1
97.10133	7.9
99.08082	12.0
105.07036	39.0
107.08585	47.3
109.02860	16.0
109.06478	9.2
109.10172	49.2
111.08153	5.8
117.06995	14.6
119.08579	33.2
121.10151	57.0
123.08036	6.9
123.11682	18.1
125.09633	7.0
127.03923	6.5
129.07034	6.4
131.08556	38.8
133.10126	38.6
135.11681	61.0
137.09517	8.8
143.08537	8.9
145.10127	32.8
147.11673	21.6
149.09576	6.2
149.13263	19.0
150.48949	6.5
151.11176	11.1
155.08536	6.5
157.10152	7.2
159.11713	35.4
160.72333	6.9
163.11243	6.9
171.11757	6.0
173.13229	20.2
175.14822	6.7
180.76833	5.4
187.14772	7.9
205.19473	8.4
215.17963	64.8
233.19014	67.2
256.92392	6.3
279.17703	7.7
307.22729	8.2
325.23669	9.2
402.25473	6.3
404.23294	6.9
456.28165	11.7
460.00330	5.8
487.33926	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	487.3426
Annotation	24-Epi-acerinol
Peak:m/z	Relative Intensity
51.02386	1.5
53.03959	8.1
55.01864	2.7
55.05275	2.1
55.05519	26.1
55.24527	1.5
56.54459	1.4
57.03444	7.7
57.07061	2.9
63.43767	1.5
64.21391	1.3
65.03937	3.4
67.05510	61.6
69.07071	19.6
71.01367	2.0
71.04978	3.9
79.05501	83.5
80.07899	1.3
81.03409	5.4
81.07066	39.2
83.04996	8.0
83.08636	7.3
85.06532	4.7
87.04464	3.1
91.05494	38.8
93.07053	82.6
93.91257	1.4
95.04964	11.8
95.08618	19.8
97.06530	11.0
97.10150	5.5
98.20702	2.3
99.08086	3.6
105.04523	3.2
105.07042	21.3
107.08601	31.1
109.06531	1.4
109.10154	9.4
111.08054	1.9
117.07012	9.2
119.08581	15.8
121.06496	1.7
121.10150	37.0
123.11738	1.9
125.09598	3.4
126.71630	1.3
128.06281	1.5
129.06996	4.1
130.07793	2.4
131.08580	11.8
133.10130	11.5
135.08072	2.3
135.10703	3.0
135.11705	45.7
135.36946	1.5
137.09598	2.0
143.08574	3.7
145.10129	17.7
147.11687	4.6
149.13121	1.4
153.12732	1.4
155.08582	3.2
157.10089	4.1
159.11682	6.1
160.47176	1.3
161.13269	1.6
163.11198	3.8
165.51483	1.2
169.10060	2.5
171.11655	5.1
173.13278	4.4
181.12244	5.7
183.11745	2.6
185.13251	2.7
187.14748	2.8
195.95186	1.4
197.13380	2.0
209.13252	1.6
213.16365	1.6
215.17957	3.3
253.71675	1.6
255.15794	1.8
269.95383	1.4
297.22202	1.5
377.28549	1.8
390.66989	1.4
393.70416	1.4
395.29465	6.0
468.95685	1.5
469.33221	4.3
487.34583	100.0
488.34662	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	487.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.0
54.12140	4.4
55.05505	22.2
57.03425	17.0
57.07085	7.9
61.02909	8.3
67.05186	7.6
67.05515	100.0
69.03427	9.7
69.07062	22.3
69.14139	53.4
71.04999	7.2
72.08169	42.3
73.02880	6.2
74.09708	12.0
74.76564	5.4
79.05502	88.6
81.03413	13.2
81.07072	88.4
83.04999	7.6
83.08621	11.4
85.02895	13.5
85.06516	4.8
91.03956	5.8
91.05486	50.1
93.07051	84.9
95.04964	7.7
95.08617	65.1
97.02900	6.2
97.10162	5.6
97.40989	4.8
99.08103	12.9
102.91003	4.7
105.07041	40.1
107.08605	40.2
109.06525	8.0
109.10174	38.3
111.08134	5.6
117.07001	16.6
119.08581	34.1
121.10161	55.1
123.08101	5.2
123.11681	18.9
127.17892	4.4
129.06998	10.7
131.08577	37.7
133.10164	33.5
135.08058	9.5
135.11679	44.7
137.09618	8.8
145.10114	33.6
147.11682	16.8
149.09637	11.2
149.13277	36.0
151.11243	6.1
159.11731	31.0
161.09636	4.6
161.13274	10.2
173.13260	22.7
177.12747	8.9
185.13261	5.5
205.19516	5.8
215.17953	64.7
233.19035	58.8
251.20016	7.4
307.22641	23.0
325.23727	8.1
359.22095	6.8
487.34430	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	486.343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79306	15.6
55.05511	21.7
64.21121	17.6
67.05501	23.9
67.60284	18.7
69.07059	21.0
71.09248	31.1
79.05504	28.1
81.07055	100.0
91.05467	19.1
93.07051	47.6
95.04969	19.4
95.08609	74.8
100.50114	17.2
105.07026	41.3
107.08580	56.0
109.10148	58.6
115.37731	18.7
119.08588	63.0
121.10144	46.1
133.60228	16.2
135.11728	30.3
139.67932	16.1
145.10081	31.0
147.11719	17.8
149.13278	27.0
161.13289	24.6
175.14810	21.1
179.00644	31.4
195.99890	27.3
209.13435	19.5
215.18123	28.2
249.17645	16.9
285.92004	56.2
287.91605	37.7
454.92987	71.5
456.62152	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.1
55.05511	9.2
56.97922	3.5
58.22053	4.4
59.04998	4.2
67.05509	29.9
69.03414	13.8
69.37962	16.8
69.38382	15.4
70.06599	7.7
71.05010	5.4
71.05389	3.8
72.08165	5.0
79.05490	15.1
81.07059	16.7
83.04974	4.6
84.08112	4.7
88.67340	3.8
91.05493	26.4
93.07082	22.9
95.04970	21.5
95.08620	31.2
105.07037	29.3
107.04971	6.7
107.08595	17.5
109.06532	17.0
109.10186	10.3
111.04452	6.9
119.08588	21.5
120.98069	4.1
121.06554	22.0
121.10160	9.7
123.08067	12.9
125.06000	5.4
125.09705	4.8
128.06194	9.9
129.07025	5.9
131.08556	15.5
133.06551	8.9
133.10164	14.0
135.08054	9.3
137.09596	4.5
139.07587	12.1
141.05566	6.1
141.06993	6.3
142.07756	5.0
143.08566	13.2
145.10146	18.2
147.08067	5.1
147.11723	9.0
152.08211	4.4
155.08559	11.4
156.09380	4.5
157.10175	7.7
159.08046	8.5
159.11723	7.3
165.07008	6.4
167.07086	6.3
167.08569	9.9
169.10100	8.9
171.08092	47.0
171.11754	5.6
173.09682	7.9
175.11269	5.0
179.08566	13.8
180.09348	5.9
181.10139	10.1
183.08093	6.4
183.11717	4.8
185.09671	5.9
191.46495	4.9
192.09306	6.7
193.10251	6.2
194.10919	6.2
195.08026	5.7
195.11737	10.9
197.09665	16.5
197.13292	5.7
205.10185	5.3
206.11012	5.0
207.11745	10.1
208.08902	8.8
209.09705	7.5
209.86011	4.6
211.11220	13.2
213.12743	5.4
216.09387	7.4
219.11627	7.1
221.09656	14.2
221.13388	7.1
222.10426	9.1
223.11203	11.3
230.10866	7.9
233.09660	10.9
235.11246	24.1
235.14867	12.0
237.12749	10.9
239.14317	4.6
245.09656	4.9
245.13324	6.0
247.11227	6.6
248.11942	17.4
249.12840	9.6
259.11182	4.8
261.12817	7.6
263.14346	100.0
264.14944	4.4
265.15979	10.6
275.14407	4.9
281.15433	13.6
289.15900	15.1
397.21628	8.5
415.22665	8.9
417.36642	4.3
433.23810	11.3
451.24487	7.5
469.24551	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	486.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	12.5
66.85332	5.0
67.05503	19.0
69.03424	16.8
69.07067	10.0
70.06572	10.2
70.56928	15.5
72.08155	63.6
79.05496	14.9
81.07059	34.0
84.08151	10.3
86.09711	5.6
91.05499	12.6
93.07056	22.4
95.08625	28.0
97.06530	9.7
102.85136	5.6
105.07026	27.0
107.08606	27.2
109.06546	13.3
109.10166	21.7
109.51212	5.6
117.06992	11.1
119.08597	18.7
121.06485	12.1
121.10138	17.6
123.08073	12.6
123.11721	20.1
125.09590	6.4
125.74651	4.6
128.06224	11.4
129.07027	6.1
131.08565	12.5
132.00291	8.3
133.06493	8.0
133.10135	8.5
135.08055	14.2
135.11705	9.8
135.90105	4.8
137.13239	10.5
139.07506	7.0
139.11154	6.2
143.08548	40.2
145.10141	21.2
147.08066	11.1
147.11729	12.4
149.13286	6.8
151.11171	15.0
155.08577	11.5
156.09377	8.6
157.10103	19.6
159.08066	8.1
159.11714	10.2
161.09589	10.0
163.11194	9.4
165.07002	6.6
165.12791	5.5
167.08588	10.9
169.10118	21.8
171.08061	100.0
171.11766	8.0
175.11209	7.8
177.12729	6.7
179.08600	17.1
181.10129	11.5
183.08067	6.3
183.11691	18.9
184.07440	6.9
185.09564	11.1
185.13345	7.5
189.12753	7.7
191.14253	7.9
193.10110	12.0
195.08124	8.5
195.11761	14.7
197.09648	51.1
197.13333	21.7
198.13966	6.0
199.14763	9.3
207.11751	13.9
208.08858	10.6
209.09669	11.2
209.13203	7.4
211.11235	21.0
211.14798	6.2
213.13033	5.6
219.11674	5.5
221.09610	19.6
221.13182	12.5
223.11179	35.6
223.14789	13.0
225.12788	26.2
233.51047	5.4
235.11174	13.2
237.12726	15.4
237.16484	6.8
239.14426	16.0
242.55695	5.7
247.14821	18.6
249.12755	12.5
251.14357	23.6
261.12903	10.4
263.14325	16.2
265.15887	68.9
267.17380	9.5
276.15002	5.9
277.15869	8.6
279.13684	7.2
281.60620	5.6
283.16885	41.7
285.92065	6.4
287.91681	5.7
289.15900	9.8
291.17450	60.9
295.23944	5.1
309.18558	11.0
317.19016	8.2
387.26938	11.5
397.25223	14.3
405.27393	7.2
415.26340	55.2
433.27451	48.1
451.28345	22.3
454.93094	13.7
469.29538	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	486.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.2
57.07085	4.2
67.05515	18.8
69.03419	13.9
69.07060	3.9
71.51290	4.3
79.05465	5.4
81.07046	21.9
91.05477	12.1
93.07043	12.1
95.04943	4.5
95.08609	19.5
105.04483	5.0
105.07030	13.4
107.08578	23.4
109.06494	9.8
109.10159	51.6
111.08069	8.8
113.05948	5.2
115.05396	3.8
119.08580	9.9
121.06500	10.3
121.10136	17.0
123.08032	5.4
123.11687	12.6
125.09618	5.8
129.07005	3.8
131.08551	10.3
133.10132	9.6
135.08037	6.6
135.11682	5.8
137.09596	17.2
139.07506	5.1
141.06953	4.2
143.08540	8.4
145.10123	11.0
147.11700	5.8
149.13190	4.3
151.11198	4.9
153.06918	4.4
153.09181	6.4
155.08582	10.2
155.10666	13.2
159.08063	8.0
159.11688	7.9
171.08057	60.1
173.09532	6.4
175.11157	5.3
175.14807	5.2
179.08531	5.7
181.10126	6.2
183.11661	7.2
185.09601	5.8
193.10126	11.7
194.10889	9.2
195.11734	12.9
197.09676	18.6
197.13347	4.0
203.08488	5.1
205.10040	11.1
208.08809	8.7
209.09561	7.4
211.11166	19.2
219.11810	4.7
221.09598	43.5
222.10350	8.7
223.11171	26.1
225.12648	6.2
230.10741	3.8
231.13962	4.0
233.13123	6.5
235.11076	6.4
237.12770	17.7
246.10463	17.5
247.11140	5.5
247.14554	4.1
249.12688	5.4
251.14395	6.7
261.12790	34.9
261.15540	4.1
261.16431	3.8
262.13446	6.6
263.14316	30.5
265.15909	24.0
275.14133	6.0
277.15826	8.1
279.13739	13.8
281.15341	4.4
283.17078	6.4
285.91940	5.8
287.91684	6.8
289.16010	8.7
291.17499	22.3
299.16357	6.3
303.17587	6.1
307.16980	4.0
309.18384	3.9
317.18878	9.4
373.25259	11.0
383.23624	12.4
387.67801	3.4
401.24869	34.4
419.25903	25.5
437.26898	25.1
454.93137	5.0
455.27914	100.0
462.14304	4.4
486.32187	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50534	0.5
55.05499	1.0
56.05037	1.7
57.03429	0.5
58.06588	0.7
60.44485	0.6
65.03944	0.7
66.77414	0.6
67.05525	1.3
69.03412	2.1
69.23367	1.8
69.23776	3.7
70.06595	17.9
71.04998	52.1
71.06933	0.7
72.08156	14.4
74.06083	1.9
79.05486	2.6
81.03429	1.5
81.07034	2.6
83.04986	3.7
84.04510	4.4
84.08143	8.5
85.02905	1.8
86.09708	7.6
87.10023	0.6
88.04003	0.6
91.05466	3.2
93.07040	2.0
94.06575	0.7
95.04964	1.6
95.06096	1.0
97.02898	1.2
98.06065	2.2
101.07126	0.7
102.05588	0.7
109.06548	3.3
110.07163	1.3
111.04458	2.8
112.03944	1.1
112.08739	1.1
112.11210	0.6
115.08681	0.8
116.07088	3.4
118.13972	0.7
119.04943	2.3
120.05268	0.7
120.08108	0.9
121.06497	1.2
124.07581	0.6
125.06030	3.4
129.10274	5.1
130.05113	0.7
132.00301	0.7
136.07590	0.8
137.05989	3.8
138.03212	0.6
138.96356	0.6
140.07074	1.0
141.10234	1.0
142.08661	5.5
143.11810	1.5
147.04408	4.8
148.04764	1.4
158.08179	0.8
160.09712	4.1
163.03819	0.8
165.05496	3.6
171.11330	1.0
173.12891	0.7
175.02197	0.7
176.09192	1.3
182.43863	0.7
187.10791	1.3
192.01097	1.1
196.00719	8.1
201.12366	0.7
202.19901	0.6
205.73254	0.7
205.99324	0.6
213.08820	0.8
217.11853	0.9
220.00699	0.8
220.04262	1.9
224.00133	21.6
229.15556	0.8
248.03873	1.6
266.04868	0.7
276.03293	1.8
285.91953	1.0
294.04318	41.0
295.04956	0.8
371.23203	0.6
398.05521	0.7
422.09058	7.9
454.93054	0.7
468.09622	100.0
469.09976	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.1
55.01883	0.8
55.05314	0.7
55.05515	8.6
57.03427	3.4
57.07084	5.6
65.03931	3.7
67.05508	36.9
69.07061	3.6
70.14662	3.6
71.08630	3.5
79.05499	39.3
81.07059	20.8
83.04972	1.4
83.08618	3.8
85.06539	1.5
85.10176	2.2
89.06014	0.9
91.05488	100.0
93.07049	29.7
93.07637	1.2
95.04969	5.4
95.08610	11.9
97.06512	1.2
97.10166	1.1
98.98470	4.5
99.08112	1.2
103.05486	1.3
105.04613	0.9
105.07037	44.1
107.08600	9.5
109.06532	1.2
109.10168	4.9
109.88566	0.8
115.05444	1.9
117.07018	5.7
119.08597	9.8
121.10147	17.3
123.11729	2.1
128.06230	3.6
129.07002	1.8
131.08566	10.5
133.10138	92.1
134.10471	1.3
135.11690	7.3
143.08557	5.7
145.10143	5.0
147.11679	1.8
149.09579	2.1
149.13229	1.1
151.11174	6.3
155.01091	2.0
155.08585	1.4
157.10121	1.9
159.11710	3.6
161.09639	15.4
161.13155	0.8
163.11177	1.6
165.06931	0.8
169.10110	1.5
171.11743	2.3
173.13228	1.3
179.10675	2.6
181.10149	1.1
183.11742	1.9
184.64409	0.8
185.13295	1.4
187.14774	0.9
195.11688	1.2
197.11691	3.2
197.13353	1.6
199.14821	1.4
209.13495	0.9
215.18011	3.6
225.16402	1.2
233.19020	1.5
251.17874	0.8
253.14235	4.1
309.21765	0.9
313.27399	21.7
372.52374	0.9
375.26819	1.6
393.28107	4.4
411.28714	1.0
485.32620	60.7
486.32852	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11630	12.3
55.05496	17.8
67.05499	39.9
69.03426	13.2
69.07072	28.1
70.06593	21.1
71.50664	16.0
79.05489	32.7
81.07053	100.0
83.04967	12.4
85.02905	36.3
85.06567	16.0
87.43306	12.2
91.05495	31.0
91.53958	11.3
93.07052	78.2
95.04978	24.1
95.08612	69.2
97.02935	12.2
98.97584	11.6
105.07034	60.9
107.08604	94.4
109.10170	62.2
119.08593	69.4
120.12964	11.1
121.10152	60.4
123.11752	27.4
125.09658	15.0
133.10129	37.2
135.11719	20.6
137.09589	13.2
145.10152	34.8
147.04443	15.1
147.11707	21.8
149.13277	33.7
151.11179	16.6
159.11690	30.8
161.13289	23.9
173.13306	17.9
180.23500	11.1
199.14761	17.4
213.16357	13.5
223.82756	11.6
242.48097	11.1
269.22705	15.8
409.54053	15.4
485.30731	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	485.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.6
55.05512	15.2
57.03436	6.1
59.05003	20.2
67.05502	29.2
69.03429	15.3
69.07065	14.3
70.06587	16.9
70.84785	8.5
71.05004	21.7
72.08146	12.7
79.05493	29.9
81.03416	7.2
81.07060	100.0
83.04986	4.8
83.08616	16.5
84.08132	7.9
85.02917	40.0
85.06572	4.2
86.09714	10.6
88.71632	3.5
89.06058	16.2
91.05480	23.5
93.07050	55.0
94.07372	3.6
95.05001	6.6
95.08614	64.9
97.02882	10.4
97.06507	6.9
97.10195	9.3
99.04458	4.6
99.08099	8.6
103.07585	11.4
105.04533	3.4
105.07030	40.6
107.08612	54.8
109.06538	5.9
109.10170	53.9
109.72614	3.2
111.08124	8.2
113.09652	4.5
115.08768	3.4
117.07043	7.1
119.08597	40.4
121.10143	63.7
123.08043	5.2
123.11748	9.0
125.09640	8.9
127.11191	6.4
129.10262	4.8
131.08556	14.0
133.08612	4.3
133.10153	26.6
135.11711	29.2
136.07602	4.0
137.09605	4.3
137.13258	6.4
142.07834	4.1
143.08624	5.6
145.10127	22.9
147.11737	17.2
149.13228	13.4
151.11232	5.2
155.10719	4.1
157.10144	9.4
158.10852	3.8
159.11693	16.7
161.13301	6.6
163.14861	4.7
165.16405	3.8
173.09622	3.9
173.13292	9.7
175.14845	9.9
177.16406	82.8
184.07411	3.6
185.13312	7.4
187.14821	9.4
189.16338	7.2
193.15869	6.2
195.17438	56.9
199.14865	4.4
201.16341	19.3
205.15990	6.5
213.16380	10.2
223.16953	23.8
243.17384	3.7
269.22665	12.4
287.23721	12.8
305.24774	49.8
323.25894	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	485.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	9.7
67.05504	19.3
69.03425	11.8
69.07090	18.0
70.06594	100.0
70.19878	30.7
70.20252	19.5
72.08158	17.3
79.05487	23.9
81.07047	46.3
84.04520	11.3
84.08148	22.1
85.02912	14.9
86.09708	34.1
93.07052	40.3
95.08606	36.4
98.20825	12.9
102.30216	8.9
103.05496	9.6
105.07053	34.8
107.08599	59.7
109.06548	9.9
109.10179	16.5
119.08558	26.9
120.08174	15.4
121.10156	23.8
131.08621	10.3
133.10176	17.1
135.11700	14.1
145.10143	13.4
147.04465	13.1
147.11671	16.4
149.13281	19.2
154.29523	9.8
159.11731	20.4
184.07338	15.2
201.16409	9.5
203.85152	9.2
214.66501	8.8
243.17044	40.1
269.22580	13.2
296.17062	9.1
299.86560	10.9
483.45627	9.5
485.19470	16.0
496.78244	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13805	1.8
53.03960	1.9
55.01865	1.8
55.05509	5.6
57.07059	2.7
63.08002	1.7
67.05505	10.4
69.03428	9.2
69.07067	6.5
69.96000	2.6
69.96346	7.7
79.05506	12.3
81.07063	17.6
91.05497	9.6
93.07051	11.8
95.04955	2.7
95.08604	13.8
97.06533	5.5
98.20805	2.5
100.25484	1.8
104.77531	1.6
105.07053	18.3
107.04949	2.1
107.08615	10.3
109.06542	4.8
109.10154	6.5
111.08129	4.0
117.07007	3.0
119.08578	13.3
121.06519	14.9
121.10135	12.2
123.08053	5.0
123.11687	8.9
125.05964	2.7
125.09608	4.5
126.98484	1.8
128.06242	4.8
128.39700	1.5
129.07016	6.3
130.00568	3.0
131.07744	1.8
131.08580	10.1
133.06538	3.6
133.10132	8.0
135.04517	2.2
135.08061	3.7
135.11700	5.0
137.09615	4.1
137.13202	2.6
139.07553	6.2
139.11160	5.7
141.06940	2.5
142.07771	3.6
143.08592	12.2
145.06511	3.4
145.10121	5.1
147.08069	4.2
147.11711	7.6
149.09633	3.2
151.11195	8.2
153.07030	2.8
154.07892	2.3
155.08586	8.6
156.09299	3.4
157.10136	5.3
159.08058	5.3
159.11732	4.8
161.09615	4.7
163.11258	4.4
165.06970	3.9
166.07800	2.5
167.08615	4.7
169.10172	6.5
169.12253	2.2
170.10992	2.0
171.08061	24.1
171.11679	11.8
173.09543	2.3
173.13301	3.5
175.11174	5.5
177.12802	3.0
178.07767	2.9
179.08569	7.0
180.09384	2.4
181.10123	11.5
183.08087	2.6
183.10188	2.2
183.11665	3.9
185.09709	2.6
185.13168	3.0
189.12767	4.9
191.08537	2.6
191.14322	10.4
192.09367	2.9
193.10092	10.5
194.07298	3.5
194.10855	9.1
195.08098	4.4
195.11781	8.5
196.08864	3.8
196.12492	3.2
197.09612	11.1
197.13228	3.1
199.11252	3.3
203.08641	2.7
203.14268	2.0
205.10170	6.5
206.10941	3.6
207.08058	3.5
207.11732	8.1
208.08884	7.7
209.09695	8.1
209.13263	3.3
211.11221	6.5
211.14850	2.2
212.11955	1.9
213.12708	4.0
215.08633	4.6
215.10672	1.8
217.10196	2.9
218.10912	2.0
219.07977	3.0
219.11714	6.1
220.08824	4.4
220.12563	2.2
221.09671	13.4
221.13271	4.8
222.10434	8.1
222.14029	2.1
223.11165	9.9
225.12625	1.9
229.10165	2.2
230.10962	5.3
231.08112	1.7
231.11687	5.3
232.08850	2.0
232.12363	2.2
233.09544	8.3
233.13316	3.8
234.10406	5.7
235.11171	20.2
235.14729	9.0
236.11838	2.0
237.12752	11.4
239.14381	4.8
245.09633	4.6
245.13263	9.0
246.10516	5.7
247.11255	4.8
248.11929	12.9
249.12740	9.3
251.14293	4.5
259.11197	5.4
259.14651	1.9
261.12753	9.2
261.16409	2.3
263.14337	100.0
264.14743	2.9
265.15985	5.3
274.13565	9.0
275.14279	4.6
277.12415	2.0
277.15805	1.7
281.15411	13.6
285.91962	7.4
287.14310	4.6
287.91620	2.8
289.15872	35.4
291.17401	2.2
299.16422	2.6
303.17429	3.5
305.19052	3.0
307.16925	3.6
319.17145	2.1
325.18137	4.0
385.25281	2.6
395.23740	2.5
413.24741	11.5
431.25824	6.3
453.93649	5.2
454.92975	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	485.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76446	1.4
53.03952	8.9
55.05516	5.0
57.95444	1.6
63.57138	1.7
65.03941	2.4
67.05503	5.3
69.03440	9.8
69.07063	2.9
79.05501	100.0
81.03417	1.9
81.07065	86.7
85.90321	1.6
91.05494	6.4
92.79550	1.6
93.07054	13.2
95.04980	3.5
95.08616	8.5
97.06513	1.9
98.21124	9.1
105.04538	2.1
105.07063	9.6
106.04823	1.7
106.31675	1.5
107.04960	3.5
107.08615	6.5
109.06523	40.4
109.10152	6.6
117.07004	2.4
119.08594	6.4
121.06512	6.9
121.10160	8.0
123.08105	1.5
123.11708	2.7
128.06190	1.8
129.07030	3.6
131.08591	7.0
133.06435	1.9
133.10159	3.5
135.08054	2.3
137.06046	2.6
141.07098	1.8
143.08566	7.1
144.17039	1.6
145.06485	2.0
145.10149	5.0
147.08102	3.6
147.11674	2.7
149.09647	3.2
155.08566	5.2
157.10100	3.0
159.08078	6.1
159.11633	3.5
165.07059	3.1
166.07777	1.6
167.08517	2.1
168.09340	1.7
169.10149	2.6
171.08081	27.9
171.11781	2.6
173.09665	3.5
173.13268	1.7
175.11342	1.9
179.08585	5.7
180.09355	2.5
181.10091	13.2
183.08073	2.5
183.11758	3.3
185.09593	1.7
185.13292	5.6
193.10179	6.0
194.10950	4.6
195.08107	3.4
195.11708	6.8
196.08946	1.6
196.12466	7.6
197.09619	8.8
197.13284	2.7
199.11189	3.6
205.10141	3.9
206.10811	1.8
207.08138	2.6
207.11673	4.0
208.08824	3.2
209.09616	6.2
209.13319	3.2
211.11194	6.4
213.12753	5.1
217.93802	1.5
219.11745	4.2
221.09685	13.8
221.13297	3.9
222.14151	2.1
223.11263	8.0
225.12880	2.1
230.10905	3.4
231.11697	2.0
232.12483	3.6
233.09605	3.9
234.10231	2.4
235.11169	3.9
235.14803	4.5
237.12798	4.1
245.13287	3.6
247.14874	4.5
248.11983	5.7
249.12679	8.0
251.14302	1.7
261.12823	5.1
263.14328	48.3
264.14691	2.0
265.15878	8.7
281.15411	19.7
283.17001	2.1
287.14496	1.7
289.16006	4.5
299.16397	28.9
301.18375	1.8
305.18954	2.8
307.16962	1.8
395.23602	1.7
413.24796	4.9
431.25839	6.0
449.27161	2.2
485.29343	2.0
507.40924	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	485.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40533	1.5
55.05517	2.2
56.96856	1.3
57.03429	4.7
57.06835	1.8
57.07084	21.7
67.05511	6.4
69.07049	3.8
70.68537	3.8
71.08639	17.3
81.07051	5.7
83.08601	4.5
85.10201	10.0
89.85204	1.4
95.08624	8.3
97.10139	2.4
98.98468	19.5
105.07034	1.7
109.10148	4.2
111.11695	1.3
123.11742	1.5
133.10130	2.7
155.01054	13.0
171.21045	1.4
179.47731	1.4
182.15678	1.3
239.23712	2.8
313.27380	100.0
314.27609	1.7
390.53262	1.7
423.74561	1.4
449.26755	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	485.033
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04526	3.5
60.08644	2.6
71.48518	2.8
71.48904	3.8
84.04530	5.3
92.98306	2.2
98.97585	3.5
101.00909	10.6
106.08141	2.5
119.01942	24.5
120.02050	3.0
121.01722	2.9
134.99779	2.8
137.02943	5.2
138.05521	6.5
158.99879	3.6
177.00948	38.0
178.01099	8.8
179.00700	4.2
217.04181	4.1
219.02036	33.4
220.02222	9.2
221.01904	5.5
235.00023	2.5
236.00093	2.6
243.02013	15.4
244.02217	3.0
245.01852	2.6
256.96762	5.0
258.99973	10.5
260.00003	2.5
261.00320	3.7
261.03094	100.0
262.03214	24.9
263.02847	17.1
276.97812	2.3
277.01031	6.1
278.01340	4.0
283.00018	26.1
284.00146	4.6
284.99716	6.8
298.97595	3.4
300.97934	4.3
301.01035	23.2
302.00980	5.2
303.01096	6.8
314.92508	2.4
316.99048	2.7
318.98740	3.1
329.12744	2.7
354.94067	2.6
356.40021	3.4
356.93546	7.1
364.89285	5.0
365.39032	3.0
365.88998	3.2
374.39117	3.2
377.90604	2.9
380.93399	3.4
385.89362	2.6
385.95612	2.8
386.39752	3.1
394.03314	2.7
396.95084	5.3
401.01129	5.0
402.99933	2.6
406.90375	3.7
407.41037	3.7
417.38013	3.3
425.01440	6.0
426.38788	4.6
427.90356	3.0
428.40698	3.2
428.91083	3.4
437.88336	2.7
438.89694	5.9
439.40146	4.0
442.44073	2.5
443.02078	8.0
443.87888	4.3
447.38776	4.7
448.91092	3.0
459.39410	4.7
459.89398	5.6
460.99796	3.0
461.42288	3.5
461.93301	4.1
462.95966	6.6
468.89993	5.0
470.41257	4.2
470.89453	5.7
472.90933	3.7
473.41553	3.9
473.92288	3.3
479.90100	25.8
480.40216	17.0
480.90009	17.0
481.91855	13.7
482.41574	12.1
482.91779	11.9
483.41919	2.9
488.90225	5.0
490.92426	4.1
491.41821	8.0
491.92545	5.6
492.41348	3.0
497.91251	6.5
500.89996	4.3
502.91205	3.5
503.41727	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	484.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71201	9.7
55.05507	10.2
64.78872	9.3
67.05502	11.8
67.67525	9.9
71.24133	22.8
79.05495	11.8
81.07045	25.7
91.05418	11.8
93.07040	17.5
95.06059	10.6
95.08633	19.4
107.08607	13.2
109.10099	11.3
119.08579	18.6
121.10163	16.6
130.00546	29.9
138.01050	22.7
143.96463	10.1
177.00925	39.8
179.00667	9.0
184.07378	10.6
194.00085	31.9
195.01973	19.4
195.99669	10.9
205.00443	11.2
207.00148	13.8
283.92227	22.1
285.92010	100.0
452.93372	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	19.3
69.03435	10.4
69.07044	7.2
69.63855	29.4
69.64277	10.8
79.05480	12.5
81.07053	19.1
83.08637	9.4
91.05465	15.8
93.07041	11.8
95.04974	5.5
95.08600	22.7
105.07034	11.1
107.08601	14.7
109.06525	8.9
109.10158	64.8
111.08088	9.7
119.08595	13.3
121.06473	9.2
121.10123	18.5
123.08067	6.8
123.11728	10.8
125.09634	11.1
130.00566	10.1
131.08554	10.9
133.10135	11.2
135.08037	7.7
135.11613	7.1
137.09602	14.6
143.08549	17.8
145.10112	9.8
149.13300	8.0
155.08583	12.0
155.10696	26.5
157.10081	10.5
159.11606	11.3
161.09647	5.9
169.10107	13.1
171.08070	67.6
171.11754	5.9
173.13168	6.6
195.01988	7.8
195.11728	8.5
197.09593	20.5
199.14729	10.8
205.10107	10.6
207.11758	8.9
211.11171	14.8
221.09668	12.2
223.11101	11.2
225.12695	9.5
237.12683	13.9
245.13109	6.6
263.14243	16.2
265.15826	30.1
267.17422	21.3
279.17319	7.5
283.17084	10.0
283.92307	7.2
285.92056	21.0
307.17401	6.2
375.26672	12.7
385.25165	11.5
403.26395	35.5
421.27344	23.7
439.28470	100.0
452.93167	21.7
484.34381	34.8
484.47147	10.5
501.47662	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	484.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	3.2
57.03439	7.4
59.04993	1.2
61.02913	4.2
67.05495	2.8
67.67516	1.2
69.03434	10.7
69.07082	5.8
70.06592	5.8
71.01354	1.7
71.08633	48.7
72.08146	4.0
73.02569	1.6
73.02926	19.6
73.93624	1.2
79.05492	3.3
81.03399	2.0
81.07042	3.4
84.08180	1.4
84.66287	1.6
85.02909	22.8
86.09688	5.3
87.04469	1.9
93.07059	3.0
95.04993	1.7
95.08575	1.9
97.02898	19.7
99.04477	1.4
99.08097	100.0
103.03960	1.3
105.07033	1.4
107.08618	2.3
109.02888	2.1
109.68821	1.2
115.03909	4.6
119.08554	1.8
124.99942	1.9
127.03910	6.8
129.10234	1.6
129.12778	13.3
133.04974	9.0
133.10016	1.4
145.04996	8.9
147.04428	6.6
155.14336	2.8
163.06110	3.2
173.15382	77.3
184.07323	9.3
241.07085	1.7
259.08322	2.5
285.91895	1.9
452.93292	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	484.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	0.7
58.06358	0.3
58.06631	0.5
59.07399	0.2
60.08170	7.2
67.05502	0.3
70.06598	1.1
70.33402	0.4
70.33769	0.4
71.06990	0.3
71.07380	3.3
72.08167	0.6
72.93773	0.2
76.36317	0.2
79.05505	0.4
80.05936	0.2
80.06391	0.2
81.07082	0.3
83.04967	0.2
84.04529	0.2
84.08154	0.5
86.05892	0.2
86.09714	33.9
87.10043	0.2
91.05460	0.3
93.07028	0.3
95.05013	0.3
98.98482	3.6
104.10753	3.8
107.04961	0.4
107.08572	0.2
110.07206	0.2
112.08846	0.2
121.10153	0.2
125.00015	23.4
126.21086	0.2
135.11710	0.4
145.10123	0.3
163.11179	0.3
184.07355	100.0
185.07773	0.9
258.11002	0.3
466.22092	0.8
474.52197	0.2
484.23230	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11692	0.3
51.75116	0.2
55.01880	0.4
55.05506	0.5
56.05040	1.6
57.03430	0.2
58.06362	0.3
58.06583	1.6
59.07393	0.4
60.08167	14.6
67.05503	1.2
68.60246	0.2
69.07068	0.4
70.06596	2.2
70.62325	0.8
71.07377	5.7
72.08148	0.9
77.97256	0.3
79.05492	1.5
81.03410	0.3
81.07068	0.9
83.04987	0.5
84.04503	0.6
84.08165	0.8
85.02920	0.6
86.09711	48.9
91.05491	0.7
92.26189	0.3
93.07085	1.2
95.04996	0.7
95.08641	0.5
97.06582	0.4
98.98473	4.2
104.10749	86.5
105.07064	0.4
105.11055	0.5
106.37172	0.3
107.04932	0.4
107.08617	0.7
111.04440	1.0
116.07111	0.5
117.07025	0.4
119.04958	0.3
120.08104	0.7
121.10168	0.8
125.00009	27.5
129.10263	0.3
135.11681	0.4
142.08627	0.3
145.10175	0.6
147.04427	1.3
149.09598	0.3
153.12813	0.5
163.01643	0.3
163.11208	0.9
173.09615	0.4
181.12343	0.3
184.07350	100.0
185.07666	0.7
222.15735	0.3
224.24988	0.2
233.02023	0.3
258.11057	1.0
283.15427	0.4
393.64597	0.3
416.36661	0.3
466.22025	5.9
484.23105	21.9
485.23218	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.3
65.03938	1.1
67.05484	0.6
68.05019	0.3
69.03423	0.7
70.06586	0.7
71.31931	0.2
71.32264	0.3
72.08155	0.3
72.15536	0.2
81.03419	3.6
82.24086	0.2
83.04988	0.3
84.04500	0.7
84.08165	0.3
85.02919	0.9
91.05483	7.7
94.06567	1.6
95.04961	1.9
96.04507	0.5
97.02877	0.6
98.06048	0.3
99.04450	0.3
109.02887	1.3
110.06026	0.7
112.03970	4.3
112.07600	0.6
114.05523	1.7
119.04947	19.5
122.06032	1.2
123.04436	2.7
126.05540	0.3
127.03957	0.2
140.07066	8.8
141.05457	0.4
147.04413	100.0
148.04710	1.2
158.08133	6.2
164.07074	0.3
165.05479	3.1
173.62000	0.2
176.09181	9.4
216.00804	0.2
248.09174	0.5
266.10278	0.8
269.47061	0.2
284.11517	0.2
291.08655	4.0
301.43594	0.2
309.09659	4.4
320.13635	0.2
322.12909	0.5
338.14539	0.9
434.96527	0.2
448.16071	0.2
450.17456	0.2
466.17096	0.8
484.18173	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	483.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.9
54.29088	2.1
55.01871	8.4
55.05509	9.5
56.05032	5.1
57.03437	6.0
57.07078	3.1
59.04992	4.4
60.08171	10.8
61.02933	3.8
65.03916	2.1
66.91711	2.1
67.05511	19.5
69.03436	24.9
69.07075	12.4
70.05359	8.3
70.06593	28.8
71.04993	5.5
71.07383	3.7
72.08150	19.4
79.05507	18.4
81.03453	4.5
81.07063	41.3
83.04974	7.6
84.04501	4.9
84.08148	16.0
85.02900	17.9
85.06540	7.4
86.09225	4.1
86.09712	55.7
87.10040	8.0
88.38284	2.0
91.03957	2.8
91.05472	15.2
93.07060	22.8
95.04971	8.9
95.08617	22.1
97.02885	7.2
97.06539	8.0
97.10153	2.5
99.04454	6.1
99.08080	2.4
104.10752	43.1
105.07033	28.9
107.08601	36.2
109.02892	2.8
109.06516	17.8
109.10165	28.3
110.07156	3.2
111.08101	4.0
113.06041	5.2
116.07147	2.4
117.07024	3.4
119.08600	28.5
120.08125	5.8
121.10148	15.8
123.08083	7.1
123.10938	2.1
123.11741	10.3
124.99992	26.7
125.09602	3.9
127.03925	2.6
129.10265	6.4
131.08582	5.6
132.08052	3.2
133.10153	24.9
135.08003	3.9
135.11687	12.0
136.07622	3.2
137.09621	9.7
137.13269	2.9
139.11209	4.8
143.08539	4.3
145.10115	10.4
147.08089	2.5
147.11693	21.1
149.09647	5.1
151.11197	43.4
153.09172	2.4
157.10126	7.6
159.09267	3.0
159.11736	7.3
161.09637	3.6
161.13315	5.2
163.11229	7.2
165.09138	5.6
165.12773	30.3
171.11646	3.9
173.13242	4.1
175.11214	6.2
175.14886	4.8
184.07353	100.0
185.07718	19.1
185.13304	3.5
187.14740	2.5
189.12775	3.4
191.14392	2.2
199.14928	2.6
211.14789	5.5
215.14377	2.8
221.15424	4.8
227.18079	2.4
229.15918	2.3
233.13094	3.4
245.18866	3.3
247.16972	3.3
267.21158	6.4
274.11902	4.0
285.22067	4.4
303.19666	2.9
303.23090	9.5
333.17087	2.5
466.21658	3.8
475.93686	2.2
483.22925	4.5
484.23145	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	483.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.9
55.01869	9.6
55.05516	21.0
57.03422	11.2
57.07071	7.3
59.04985	7.9
61.02935	4.6
67.05521	31.5
69.03432	33.0
69.07059	18.4
70.06580	8.7
70.94666	8.4
70.95010	4.4
71.04993	9.0
72.08159	8.3
72.11275	4.0
73.99848	3.8
79.05514	30.9
81.03416	4.6
81.07069	96.9
83.04991	10.6
84.08123	5.1
85.02907	31.1
85.06557	20.0
91.05504	29.2
93.07054	69.6
95.04969	17.3
95.08604	41.6
97.02895	10.6
97.06530	14.0
97.10146	5.7
99.04445	10.7
99.89448	4.0
101.06026	6.1
105.06398	6.8
105.07040	74.0
107.08608	89.4
109.06547	34.7
109.10169	47.7
111.08083	8.9
117.07076	6.2
119.08596	57.6
120.08121	5.2
121.10154	29.6
123.08054	19.6
123.11694	26.4
125.09634	10.0
127.04004	6.2
131.08582	10.4
133.10147	56.4
135.11728	18.9
137.09592	28.7
137.13246	5.4
139.11151	12.3
142.07793	7.3
143.08588	5.7
145.10127	16.8
147.11722	66.4
149.13255	6.4
151.11208	100.0
153.09122	9.2
157.10098	16.5
159.11708	17.2
161.13269	14.1
163.11191	11.6
163.14806	6.4
165.09128	11.1
165.12779	53.0
169.10168	10.8
171.11713	5.9
173.13258	9.7
175.11186	11.3
175.14816	14.9
177.12784	4.2
185.13281	5.7
187.14822	7.6
193.12250	5.2
193.15855	4.7
211.14848	6.9
213.16490	4.7
217.15816	7.1
221.15453	12.8
225.77707	4.5
227.17862	9.5
229.15628	4.7
240.90878	4.2
245.18988	7.0
267.21194	10.4
285.22156	12.8
303.23230	19.7
397.74820	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	483.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	26.2
57.03444	7.8
57.07077	10.7
59.05003	3.5
67.05493	5.3
69.07070	24.0
69.32987	25.5
71.08615	5.2
79.05483	6.9
81.07073	9.4
83.08629	20.5
86.09702	3.6
91.05447	4.8
93.07034	8.4
95.08624	5.5
97.10172	13.3
98.98460	12.8
106.95974	3.4
107.08559	6.6
111.11707	4.0
121.10159	5.0
123.08062	3.7
155.01021	9.5
180.36070	3.0
184.07318	6.6
216.52612	3.3
285.92093	4.8
311.22202	5.1
311.25821	100.0
312.26147	4.6
315.67056	3.9
407.23456	3.9
436.52460	3.2
452.72699	3.4
481.99072	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	483.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	20.8
57.03435	7.7
57.07074	13.8
67.05514	5.0
69.07063	26.1
69.53371	25.2
71.08638	5.7
72.08159	3.5
77.42252	3.5
79.05473	4.7
81.07074	4.6
83.08620	20.3
93.07046	3.7
97.06528	4.4
97.10151	9.6
98.20794	7.4
98.98479	19.1
98.99045	3.3
111.11747	5.7
136.26340	3.6
155.01031	7.3
311.25830	100.0
447.24799	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	483.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.8
54.72292	1.5
55.01868	10.8
55.05309	1.5
55.05519	14.7
57.03443	8.4
59.05006	75.3
65.03919	4.3
67.05509	66.5
69.03434	13.1
69.07066	8.7
70.06593	2.9
71.05003	16.1
71.50152	1.9
71.50523	1.9
72.08148	3.0
73.02916	3.1
79.05499	29.7
81.03425	9.8
81.07069	33.4
83.04984	23.4
83.08614	5.6
84.04494	4.9
85.02901	11.5
85.06544	4.5
86.09692	2.3
91.05485	40.5
93.07049	59.6
93.07645	3.4
95.04984	14.4
95.08614	100.0
97.02885	3.6
97.06547	10.8
99.04453	7.9
99.08099	4.0
101.06029	2.0
105.07038	17.4
107.04971	16.7
107.08606	17.6
109.02864	3.2
109.06528	5.0
109.10166	41.2
111.04443	28.7
111.08103	11.4
113.06046	2.9
115.07540	3.4
117.07023	10.7
117.09144	20.4
119.08592	33.4
121.06522	3.6
121.10149	19.1
123.08093	2.2
123.11688	2.4
125.05999	3.7
129.06967	4.2
131.08580	11.4
133.10178	7.8
135.08078	5.3
135.11710	19.4
136.19020	1.6
137.09631	45.7
141.09174	1.7
143.08543	3.7
145.06206	2.7
145.10139	18.9
147.04402	3.7
147.08055	3.4
147.11668	7.7
149.09615	6.6
149.13220	3.0
151.11194	3.0
153.12735	11.0
155.08557	3.4
155.10655	10.7
159.11711	4.2
163.11206	27.9
165.09129	14.1
169.10118	2.2
171.11804	2.1
173.09624	13.1
173.13223	2.2
174.47757	1.6
175.13419	2.9
181.12245	20.3
183.10211	3.9
187.14827	2.4
191.10701	16.8
201.11273	1.8
201.16414	3.0
209.11751	10.6
209.13399	1.9
227.12820	13.9
229.15825	2.2
239.12798	29.8
257.13809	3.6
265.14343	14.4
278.71759	2.0
283.15390	16.3
303.23172	2.8
321.20612	2.7
392.24286	1.7
410.56439	2.2
447.23840	4.0
457.30548	1.8
465.25024	5.6
483.25937	30.0
484.30484	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	483.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.4
55.05507	4.1
55.39782	1.6
57.03440	3.6
59.73192	1.7
61.02924	2.6
62.15572	2.1
67.05482	5.0
69.03424	5.3
69.07071	27.8
70.06581	4.1
70.21978	5.1
72.08162	2.8
76.27142	1.7
79.05499	16.9
81.07051	5.7
84.08133	3.4
85.02914	3.8
85.16032	1.8
86.09708	2.9
89.03932	2.8
91.05501	2.5
93.07028	6.2
95.04956	4.3
95.08604	3.0
97.06538	100.0
105.06999	3.5
107.04950	3.0
107.08586	4.0
109.10149	2.5
111.08091	4.5
117.03369	5.6
119.08567	2.2
121.10180	2.3
131.08601	2.6
133.02859	5.3
133.10063	3.2
135.04401	7.5
145.02873	5.0
147.04341	2.7
151.03932	1.7
159.04436	10.7
161.02356	29.2
163.03911	59.0
163.11203	3.1
173.02357	65.3
185.06000	4.6
187.07503	3.9
191.03336	8.9
215.07034	99.4
216.07515	2.5
233.08058	4.3
241.08655	17.0
245.33372	1.8
250.13496	2.0
259.09662	30.9
273.11200	16.5
275.23740	1.8
291.12274	97.5
301.09583	2.4
380.97827	2.0
434.89636	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	483.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	1.8
57.47667	1.2
58.99881	1.3
60.04529	1.7
61.38793	1.4
67.05494	1.3
69.70199	3.6
69.70599	2.2
70.06589	5.1
72.08148	3.4
73.30872	1.1
84.04510	2.8
84.08138	2.2
85.02901	1.7
91.05478	3.4
91.28097	1.2
98.97581	2.0
102.05552	2.2
103.05466	2.9
119.04983	3.3
120.08120	100.0
121.08405	1.5
129.10226	1.7
131.01828	1.7
131.04913	1.5
136.07581	2.3
140.07147	2.1
143.01917	2.8
144.05066	2.7
145.03467	12.9
147.04413	14.8
151.03923	1.3
151.05995	1.6
155.01791	1.5
156.10255	3.9
156.79630	1.2
160.06079	2.5
163.04547	7.3
166.08621	2.8
176.09245	1.3
188.04150	1.6
188.05695	1.4
192.89046	1.2
206.06633	15.0
206.08224	1.5
216.07524	1.4
221.05080	1.5
224.07689	27.8
225.07787	1.5
228.08742	2.0
242.08772	35.0
247.08263	2.2
272.07700	4.7
274.09180	7.2
290.08740	4.4
292.10229	2.1
300.07172	5.8
303.13437	1.4
315.05566	1.5
318.08246	41.2
321.10098	1.4
335.12524	1.6
336.09308	54.3
337.09686	1.9
341.09143	1.2
349.07834	2.4
353.13434	4.6
359.10803	1.7
367.08524	2.3
371.14648	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	483.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
61.39247	0.8
66.83932	0.8
70.06580	0.9
71.49638	1.7
74.09715	2.1
77.90999	1.0
78.03728	0.8
82.99866	3.9
87.37271	0.9
94.99847	1.2
96.06221	0.8
97.02929	1.1
97.59250	0.9
101.00883	21.6
109.02898	1.0
113.00877	8.3
115.02406	2.3
118.08644	1.9
118.09443	0.8
119.01931	19.3
127.02431	4.2
131.01906	13.5
133.03464	4.6
136.92068	0.9
137.00970	1.2
137.02921	2.1
139.02362	2.8
139.91464	3.8
140.06839	9.6
141.00395	0.9
141.07169	3.9
141.91222	1.0
143.01904	30.3
145.03474	12.3
155.01900	30.4
156.02095	1.1
156.04239	6.3
157.03452	9.8
159.01328	2.2
161.02954	16.4
161.04187	1.5
163.04532	1.2
167.01894	13.7
169.03476	5.0
171.05022	2.6
173.02960	36.8
175.04520	6.8
177.02516	4.3
177.07915	1.0
179.01871	6.9
181.03502	1.2
183.01381	4.7
183.04988	1.6
185.02962	46.6
186.03241	1.1
187.04486	5.0
191.02031	1.1
191.03967	1.2
195.92595	0.9
197.02974	17.0
198.94246	0.9
199.04480	1.6
200.07672	3.5
201.02449	64.0
201.07838	6.2
202.02644	1.9
202.07426	1.1
202.73723	1.0
203.04022	11.9
207.51471	0.8
209.02934	3.6
211.04620	1.3
213.02438	12.4
215.04012	7.4
219.03510	78.7
220.03627	1.4
221.05034	3.5
222.74844	0.8
225.02394	2.6
227.04019	13.8
231.03484	8.9
233.05331	1.0
237.02426	1.6
242.05014	1.9
243.03502	3.0
245.05084	100.0
246.05298	4.4
249.04559	7.3
255.03377	4.5
257.05115	6.4
261.04562	18.6
263.06143	9.9
269.04715	1.1
273.04526	1.5
275.06146	13.2
279.05536	6.2
285.04474	2.0
293.07184	3.5
302.07062	1.0
303.05627	27.9
305.07166	11.7
321.06662	37.7
322.06598	1.1
332.96619	0.9
335.08218	4.5
339.07687	1.4
363.07596	2.2
365.09479	7.7
382.08163	1.1
482.96646	0.9
483.11783	16.9
483.18423	6.3
484.12030	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49374	1.0
58.36829	1.2
60.14066	1.3
70.06612	1.5
70.33414	1.1
71.49618	1.8
72.08175	3.1
82.99865	2.7
84.04568	1.3
85.02914	1.7
97.02881	1.7
101.00892	21.7
113.00820	5.8
115.02417	2.0
119.01926	17.9
123.04483	1.2
127.02422	4.7
129.00296	1.3
129.03979	1.5
131.01918	13.8
133.03490	2.5
136.07552	1.7
137.00847	1.4
139.02434	2.3
143.01912	28.1
143.51839	1.2
145.03477	12.3
147.01431	1.5
147.04433	2.5
149.02921	1.6
152.05711	5.5
153.04089	1.3
155.01918	31.5
157.03493	7.7
159.01440	2.3
161.02983	18.2
167.01903	15.7
169.03488	4.4
171.05052	3.4
173.02979	35.3
175.04552	3.9
177.02516	2.6
179.01868	5.9
183.01442	3.9
185.02980	47.3
186.03107	1.3
187.04530	4.6
188.09184	1.2
192.03712	2.2
193.03789	1.8
197.02989	14.5
201.02455	72.8
202.02698	2.4
203.02246	1.6
203.04042	13.1
209.03041	2.9
210.04787	3.3
211.04782	7.5
213.02487	12.6
213.28436	1.2
215.04041	8.1
219.03529	79.9
220.03780	1.3
221.02989	6.0
221.05116	5.0
225.06493	2.0
227.04063	11.0
231.03523	11.3
233.05083	1.2
237.02481	2.2
237.04688	2.1
239.04010	2.8
243.03534	3.3
245.05096	100.0
246.05327	2.9
247.04692	1.9
249.04561	7.7
255.03531	4.6
257.05133	6.5
261.04572	19.0
263.06174	13.2
273.04529	1.3
275.06155	15.2
276.00946	1.1
279.05652	6.3
285.04410	2.1
291.05713	2.0
293.07278	5.8
303.05643	27.9
305.07330	9.9
319.03244	2.3
321.06699	36.0
321.13672	2.2
335.08270	4.6
349.08029	1.5
351.06021	3.0
363.07651	2.3
365.09586	9.1
377.00897	1.4
383.09277	1.8
450.87411	1.3
459.01981	2.1
483.12054	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	482.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.2
57.07082	71.4
63.42197	1.2
69.07074	7.6
71.08636	55.3
73.06565	3.5
81.07056	1.1
83.08634	6.3
85.10191	37.9
87.04465	3.4
89.06042	100.0
94.22581	1.5
96.61572	1.3
97.10188	3.0
99.11749	7.6
103.03913	1.3
111.11755	2.6
113.13292	7.8
117.09153	3.1
125.13274	3.2
127.14861	5.5
130.00575	2.2
133.08615	59.9
151.09612	1.3
177.00764	1.4
177.11249	27.8
179.79251	1.1
183.21109	1.9
192.35260	1.2
194.00128	2.3
195.12259	4.0
197.26155	1.2
198.46609	1.4
209.47937	1.2
221.13809	2.7
227.23845	1.4
229.39832	1.5
239.14943	4.0
269.66168	1.5
271.26373	3.8
283.17535	34.4
283.92126	4.0
315.29114	3.7
341.30148	2.3
421.35352	2.4
450.93671	2.8
465.37946	27.5
482.40063	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	482.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.7
56.05032	1.0
56.24775	0.2
57.03435	0.5
57.05818	1.0
57.06796	0.3
57.07079	3.5
66.91863	0.2
67.05503	0.8
69.07076	0.9
70.06598	2.7
70.57460	0.3
70.57771	0.3
71.08636	2.9
72.08158	100.0
73.08487	0.7
77.19588	0.2
81.07066	0.9
83.08618	1.2
83.21721	0.2
85.10175	1.6
90.09199	3.9
95.08615	1.2
97.10197	0.5
109.10181	0.8
109.21884	0.2
123.11748	0.4
129.21599	0.2
170.05797	4.6
170.07103	0.3
237.63780	0.2
240.83827	0.2
244.09592	0.8
283.92328	0.5
311.25967	0.3
313.27374	21.1
314.27881	0.2
336.60934	0.2
450.93405	0.3
464.31412	2.2
482.32416	2.0
502.64044	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3245
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
55.05507	2.6
57.03425	4.7
57.07079	39.3
62.06094	25.3
67.05492	4.8
69.07072	6.0
69.23880	9.8
71.08634	29.8
81.07057	5.6
82.05955	1.1
83.08619	6.5
85.10188	18.8
89.06033	32.2
95.08604	7.6
97.10175	4.3
98.98492	6.7
99.11737	2.9
109.10157	4.0
111.11710	1.2
113.13294	1.6
123.11678	1.9
124.01570	2.0
126.40180	1.2
133.08604	16.3
155.01010	7.1
167.47198	1.3
177.11267	6.4
195.12296	1.4
198.05197	1.3
216.06335	4.2
283.17508	10.5
283.92517	1.8
310.31033	12.1
311.35562	1.1
341.30515	100.0
342.30826	1.6
374.31204	1.4
421.26968	5.4
443.80161	1.2
464.30811	2.1
465.37766	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	482.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74138	0.3
55.05495	0.5
56.05032	1.2
57.03423	0.7
57.07079	3.1
57.16733	0.4
58.06601	1.2
59.07394	0.4
60.08166	15.1
67.05492	1.4
69.07063	0.8
71.07378	6.0
71.08631	2.1
71.50972	0.6
79.05486	0.4
81.07047	1.4
81.38203	0.4
83.08611	0.8
84.08144	0.6
85.10172	0.9
86.09708	48.1
91.05425	0.5
95.08611	1.1
98.98463	4.1
104.10745	100.0
104.40536	0.4
105.11021	0.5
109.10155	0.6
116.45326	0.4
120.11369	0.5
125.00006	28.9
184.07343	94.9
258.11050	0.7
283.92288	1.1
299.25708	1.9
405.24036	0.6
450.93759	0.6
464.31351	8.2
465.31866	0.5
482.32477	26.1
483.32733	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.4
56.05046	0.8
58.06613	0.5
60.04562	0.2
60.08172	6.6
63.24266	0.2
67.05512	0.6
68.56205	0.2
69.07095	0.3
69.84203	1.0
70.06602	2.8
71.07380	2.9
72.08157	1.2
76.26325	0.2
77.18607	0.2
79.05486	0.4
81.07076	0.7
84.04527	0.4
84.08167	1.6
85.02908	0.4
86.09715	33.5
87.10044	0.6
91.05488	0.8
93.07063	0.3
95.04959	0.2
95.06105	0.2
95.08606	0.4
98.98475	3.2
99.00802	0.3
104.10760	3.7
105.07044	0.3
107.05009	0.3
107.08620	0.2
109.02875	0.2
109.06480	0.2
110.07182	0.3
119.08611	0.4
120.08102	0.8
125.00021	23.0
129.10222	0.8
131.26935	0.2
133.10101	0.3
135.11661	0.4
136.07562	0.5
145.10178	0.2
147.11694	0.2
163.11224	0.2
184.07359	100.0
185.07739	0.5
258.10977	0.2
284.15631	0.3
302.16605	0.3
464.20273	1.0
482.21518	3.0
483.21353	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	10.9
55.01874	25.1
55.05509	7.8
57.03441	7.0
57.94106	1.5
65.03932	4.3
67.05507	53.9
69.03433	4.3
69.07069	8.1
69.40440	12.5
70.06612	3.3
71.05003	3.8
73.02912	2.4
77.03962	2.0
79.05497	85.5
81.03419	20.3
81.07063	37.9
83.04984	17.3
83.08615	3.6
84.08215	1.6
85.02901	6.1
85.06522	3.5
86.09686	2.8
87.04464	1.9
91.05488	70.1
93.03416	2.2
93.07054	72.7
93.07645	3.6
95.01322	6.4
95.04967	25.4
95.08611	18.0
95.27232	1.9
97.02886	2.2
97.06530	12.7
99.04462	4.5
102.42570	1.5
103.05479	2.3
105.04517	4.2
105.07043	16.4
105.52921	1.4
107.04961	87.9
107.08603	56.4
109.06526	5.5
109.10149	1.8
111.04434	15.8
111.08102	5.8
113.06020	1.9
115.05453	11.2
117.07026	60.9
119.04931	2.6
119.08575	13.3
120.08110	2.6
121.06483	13.4
121.10146	30.5
123.04418	2.4
125.05995	1.7
125.09636	20.6
129.07005	7.5
130.07777	2.4
131.04921	4.6
131.08569	9.0
133.10112	3.2
135.08064	100.0
135.11703	30.7
136.45151	1.5
143.08571	2.9
145.06491	29.2
145.07599	0.9
145.09047	3.0
145.10136	37.2
147.08109	1.9
147.11642	2.9
149.09634	7.9
153.09126	24.7
153.12766	4.5
155.06026	3.2
155.08572	10.9
158.07219	2.9
163.07553	51.2
163.11198	47.3
173.09642	30.1
175.80701	1.6
181.08575	24.5
181.12198	11.9
182.87302	1.6
191.10667	24.3
193.09944	1.8
199.09644	12.6
209.11754	27.8
227.10602	1.7
227.12804	32.5
237.11189	22.4
255.12256	20.8
265.14374	59.0
265.17215	2.9
266.14713	2.1
283.15350	19.8
353.17392	1.8
445.22598	8.0
460.35837	2.0
463.23318	12.6
481.24316	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.3
58.13070	0.2
60.04529	6.5
67.05502	0.6
69.07050	0.3
70.02957	0.3
70.06612	0.8
71.50431	0.2
72.04523	0.3
72.08167	0.3
74.03605	0.1
77.61291	0.1
79.05500	0.4
81.07056	0.5
84.04515	0.7
84.08153	0.6
86.09711	22.9
87.05596	5.1
87.10049	0.4
88.04002	0.4
88.69475	0.2
91.05478	1.0
93.07046	1.7
95.05003	0.3
95.08600	0.2
97.06542	0.2
103.05467	3.9
104.10739	0.6
105.07053	0.3
107.04965	0.4
107.08613	0.2
108.51560	0.2
108.87326	0.2
109.06549	0.2
110.09654	0.2
111.04410	0.2
112.11246	0.3
119.08593	0.2
120.08112	100.0
121.08466	1.1
121.10146	0.4
125.00052	0.3
126.05527	0.4
128.10733	3.2
129.10289	0.3
134.04489	0.5
135.11682	0.3
138.05515	0.6
145.10164	0.3
163.11230	0.6
168.37668	0.2
173.12869	25.5
174.13188	0.3
176.72757	0.1
180.81863	0.1
184.07393	0.9
191.10577	0.2
201.12357	11.4
202.12657	0.2
207.06531	0.2
208.27908	0.2
233.16489	0.4
233.95404	0.2
261.16034	0.5
263.10214	0.3
265.14462	0.5
281.11337	24.6
282.11710	0.3
283.15384	1.5
301.16553	0.9
303.16968	1.4
334.94724	0.2
348.19208	1.4
394.19751	0.2
463.21848	0.2
482.21732	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68676	3.8
53.03948	4.8
55.01869	8.4
55.05503	8.0
56.05029	6.4
57.03432	4.5
60.04538	9.1
61.02906	6.2
64.83629	4.3
65.03992	3.9
67.05505	28.6
69.07074	10.8
70.06596	52.0
71.50288	4.4
72.08156	25.0
74.52457	4.0
79.05499	29.9
81.03417	13.2
81.07055	23.9
83.04961	9.2
83.40781	3.9
84.04519	19.6
84.08151	30.3
85.02898	18.4
85.04840	3.9
85.06525	4.7
86.09712	86.9
87.05625	9.4
88.04019	6.6
91.05483	15.1
93.07063	21.0
95.04958	11.5
95.06124	7.1
95.08604	5.7
97.02890	7.3
97.06551	10.5
99.04448	6.4
103.05492	4.7
105.07072	9.5
107.04961	28.6
107.08622	12.9
109.10153	5.9
109.57803	3.9
111.04446	10.5
111.08121	4.5
113.02395	4.5
116.07068	3.6
117.07033	9.5
119.08598	9.5
120.08126	46.0
121.06496	4.8
121.08469	5.4
121.10160	27.1
123.08148	6.6
125.00015	11.0
126.05563	7.3
129.10249	12.0
131.08601	8.7
135.11632	19.7
136.07581	8.3
137.73430	3.4
138.05501	10.6
139.05858	3.9
145.06503	5.0
145.10162	23.2
149.09631	10.7
153.12712	5.9
155.08563	6.7
163.03940	7.0
163.11168	23.6
173.09641	21.8
173.12926	10.3
177.05498	5.5
181.12181	7.3
184.07353	66.4
186.07709	3.7
191.10634	18.1
204.42577	4.0
207.11276	24.1
209.11821	6.9
229.05109	3.9
235.10710	18.8
247.12929	13.1
265.14389	19.7
283.15430	69.6
301.16495	100.0
302.17093	4.2
303.05042	30.4
304.05386	24.6
305.05573	65.0
377.87735	4.4
386.85278	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	481.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.1
54.76442	3.8
55.05504	15.1
56.05026	5.0
57.03442	11.1
58.35020	4.7
61.02922	6.7
67.05511	31.4
69.07065	18.8
69.95102	8.1
69.95508	13.9
70.06600	48.9
71.04978	5.7
72.08163	83.4
73.08455	4.6
74.06090	5.6
79.05487	25.3
79.20474	4.1
81.03409	15.3
81.07064	19.9
83.05001	11.3
83.06088	5.5
84.04509	16.5
84.08152	22.5
85.02912	21.1
85.06550	22.7
86.09224	7.9
86.09712	98.7
87.10033	4.6
91.05498	19.6
93.07040	16.8
95.04958	8.9
95.06076	9.5
95.08612	9.6
97.02892	12.1
97.06523	10.3
98.06068	4.7
98.21462	5.9
99.04441	8.1
102.05536	8.1
105.07037	8.9
107.01332	3.9
107.04980	18.2
107.08597	11.0
109.02895	8.4
109.06541	3.7
109.10127	9.9
110.07166	24.2
111.04453	11.1
112.08772	5.2
117.07038	4.2
119.04963	7.3
119.08615	8.9
120.08120	64.7
121.06510	4.2
121.10158	24.5
123.05492	4.8
123.08056	4.1
126.05613	4.2
127.62177	4.1
129.10240	21.3
135.11688	13.2
136.07603	7.9
136.43823	6.2
137.05974	9.6
145.10124	18.1
149.09645	5.9
149.79243	4.0
153.01782	7.6
153.12799	5.7
163.11159	23.6
173.09628	18.7
184.07475	6.9
188.67563	5.0
191.10692	7.6
199.07172	7.2
201.12392	6.1
207.11476	6.8
209.11852	5.7
215.13960	7.4
223.15555	5.0
227.12721	7.4
229.14421	6.0
235.10806	8.4
240.24074	4.2
251.15053	11.3
263.10117	5.7
265.14355	16.0
267.13339	4.1
273.03726	4.5
283.15396	41.8
298.14087	6.4
301.16498	100.0
319.04523	77.5
463.21750	6.6
481.26846	6.4
482.10986	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68676	3.8
53.03948	4.8
55.01869	8.4
55.05503	8.0
56.05029	6.4
57.03432	4.5
60.04538	9.1
61.02906	6.2
64.83629	4.3
65.03992	3.9
67.05505	28.6
69.07074	10.8
70.06596	52.0
71.50288	4.4
72.08156	25.0
74.52457	4.0
79.05499	29.9
81.03417	13.2
81.07055	23.9
83.04961	9.2
83.40781	3.9
84.04519	19.6
84.08151	30.3
85.02898	18.4
85.04840	3.9
85.06525	4.7
86.09712	86.9
87.05625	9.4
88.04019	6.6
91.05483	15.1
93.07063	21.0
95.04958	11.5
95.06124	7.1
95.08604	5.7
97.02890	7.3
97.06551	10.5
99.04448	6.4
103.05492	4.7
105.07072	9.5
107.04961	28.6
107.08622	12.9
109.10153	5.9
109.57803	3.9
111.04446	10.5
111.08121	4.5
113.02395	4.5
116.07068	3.6
117.07033	9.5
119.08598	9.5
120.08126	46.0
121.06496	4.8
121.08469	5.4
121.10160	27.1
123.08148	6.6
125.00015	11.0
126.05563	7.3
129.10249	12.0
131.08601	8.7
135.11632	19.7
136.07581	8.3
137.73430	3.4
138.05501	10.6
139.05858	3.9
145.06503	5.0
145.10162	23.2
149.09631	10.7
153.12712	5.9
155.08563	6.7
163.03940	7.0
163.11168	23.6
173.09641	21.8
173.12926	10.3
177.05498	5.5
181.12181	7.3
184.07353	66.4
186.07709	3.7
191.10634	18.1
204.42577	4.0
207.11276	24.1
209.11821	6.9
229.05109	3.9
235.10710	18.8
247.12929	13.1
265.14389	19.7
283.15430	69.6
301.16495	100.0
302.17093	4.2
303.05042	30.4
304.05386	24.6
305.05573	65.0
377.87735	4.4
386.85278	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	480.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	3.0
57.07080	41.2
59.04711	2.1
59.05005	36.8
62.52252	1.2
69.07081	4.0
71.08241	1.7
71.08634	35.8
73.06559	3.7
77.06075	1.2
83.08632	3.8
85.09673	1.6
85.10188	23.4
87.04473	25.0
89.06038	42.9
97.09644	1.2
97.10178	5.9
98.21519	2.8
99.11748	3.0
103.03948	100.0
103.07587	60.6
104.49133	1.1
107.07079	1.8
111.11700	3.8
113.13294	1.9
117.09150	1.7
119.07091	1.9
121.08625	13.1
124.32655	1.1
127.14820	1.8
131.07068	9.6
133.08611	14.8
139.62491	1.0
141.16403	1.7
147.06540	9.7
147.10201	6.7
151.09698	2.9
163.09666	3.9
191.09241	1.7
191.12814	3.9
207.12297	18.0
211.24127	2.6
229.46136	1.4
235.11771	8.3
253.12863	11.7
273.90741	1.6
299.29529	2.8
343.32095	1.9
360.39890	1.2
389.60892	1.3
463.36249	5.4
480.24692	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	480.309
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
53.87305	1.0
54.26779	1.2
55.05518	15.2
56.19853	1.0
57.03429	3.9
57.07076	5.9
57.58146	0.9
62.06093	21.7
67.05247	1.0
67.05515	11.8
69.06738	1.3
69.07082	18.4
69.22419	2.2
69.22820	8.0
71.08635	1.7
71.35075	1.0
73.50317	1.1
79.05488	5.3
81.07060	12.4
83.08622	12.9
84.04510	1.9
85.10214	1.7
86.09757	1.1
88.03983	1.5
91.05506	3.2
93.07065	7.0
95.04933	1.5
95.08617	14.0
97.06541	1.0
97.10186	9.6
98.06061	1.4
98.20660	2.1
98.98484	5.9
107.08596	4.2
107.30800	1.0
109.10155	6.6
111.08096	1.5
111.11719	2.1
116.81418	1.2
121.10175	6.2
123.11725	2.2
124.01640	1.5
125.09637	1.5
135.11722	4.9
138.24706	1.1
141.68263	1.0
142.02654	1.2
144.03229	1.0
144.28856	1.1
149.13223	2.2
155.01073	7.4
164.79657	1.1
198.05243	1.9
216.06351	3.4
265.25272	4.8
294.25763	1.2
308.29471	13.1
339.28976	100.0
340.29214	2.6
407.16898	1.3
419.25571	3.9
437.02618	1.2
462.29657	3.2
480.13806	1.2
480.30035	3.3
481.15112	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	480.309
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
53.03931	0.7
55.05277	1.2
55.05518	15.6
57.03442	8.0
57.07085	7.2
67.05509	11.6
69.07074	20.2
70.47843	1.9
71.04982	0.8
71.08650	2.9
79.05498	4.6
80.54636	0.6
81.06602	0.8
81.07067	12.9
83.08157	0.9
83.08625	14.7
84.04519	0.9
85.10177	1.6
86.09706	1.9
91.05486	1.2
93.07047	7.8
95.08614	13.7
97.06538	1.8
97.10184	6.9
98.21528	0.7
99.08065	0.6
107.08614	5.1
109.10174	6.0
111.08062	1.0
111.11726	1.8
121.10149	5.7
123.11710	1.2
125.09596	1.4
135.11656	4.0
138.91394	0.6
139.11205	0.9
146.66257	0.6
147.96080	0.7
149.13277	2.1
151.28867	0.7
163.14842	1.2
240.02548	0.6
247.24211	0.9
254.22157	0.7
265.25266	1.6
269.92102	0.7
308.29388	2.8
337.53619	0.6
339.28961	100.0
340.29391	1.9
480.33640	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84569	1.0
53.03943	1.3
55.01877	1.3
55.05515	4.4
57.03446	2.6
57.07064	1.0
61.02911	2.0
67.05509	5.7
69.07065	2.8
69.34587	7.2
70.06599	7.9
71.04996	1.6
72.08179	5.8
73.02921	2.2
79.05499	9.8
80.99332	1.0
81.03419	2.6
81.07063	8.3
83.04977	1.7
83.08627	4.3
84.04462	1.0
84.08144	4.0
85.02919	3.2
86.09717	3.8
87.04476	3.3
89.06016	1.9
91.03933	1.7
91.05496	4.6
93.07057	15.4
95.04963	4.4
95.06081	1.2
95.08620	16.0
97.02880	3.0
97.06549	2.5
99.04457	2.1
103.05511	1.3
103.32911	0.9
105.07036	4.8
107.04971	5.9
107.08617	13.4
109.06569	1.1
109.10175	2.2
110.07088	1.2
112.11189	1.4
117.07023	4.5
119.08572	6.0
120.08144	6.4
121.06508	5.2
121.10171	8.4
125.05992	1.6
127.03893	1.0
129.10257	2.1
130.17294	0.9
131.04839	1.1
133.08612	1.3
133.10158	2.1
135.08058	3.0
135.11711	26.9
144.40492	1.0
145.10150	17.1
161.09448	0.9
163.11197	35.9
176.11943	1.0
181.12271	6.8
209.11768	1.3
227.12804	57.9
283.15427	100.0
301.11380	1.1
301.16422	2.9
302.04156	2.1
303.04440	3.4
317.06567	1.2
318.06921	6.3
373.71164	1.0
462.26248	1.3
480.18076	1.0
480.27185	1.1
485.81439	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.9
56.84319	0.5
57.07078	37.5
59.58548	0.6
67.05499	2.1
69.07073	5.3
71.08635	30.1
71.51356	0.9
73.06556	5.3
73.39500	0.5
75.17500	0.5
75.70238	0.6
79.05508	1.9
81.07045	2.8
83.08620	4.5
85.10188	16.7
87.04484	2.9
89.06036	100.0
93.07050	1.4
95.08619	1.7
97.10174	4.5
99.11742	3.1
104.17596	0.5
107.07076	2.3
107.08633	1.5
109.10176	1.3
111.11735	1.8
113.13289	1.4
117.09149	1.7
125.09678	1.4
125.13293	1.1
127.14893	1.5
127.21272	0.6
130.08681	2.4
133.08612	37.9
141.16348	0.7
177.11243	9.0
180.77280	0.5
195.12376	1.8
197.22586	0.8
239.14729	1.2
283.17603	4.4
285.27972	1.8
479.37762	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	480.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.9
53.49841	1.5
55.01850	2.3
56.05014	2.7
57.03428	4.4
61.02914	4.2
64.19096	1.3
67.05508	1.9
68.05025	3.3
69.03436	24.7
69.07063	1.8
69.75188	5.1
70.06582	6.0
71.04980	3.2
72.08160	3.7
72.83582	1.3
73.02911	2.4
74.06073	1.9
79.05499	21.1
80.05029	2.0
80.33102	1.3
81.03426	13.8
82.06575	2.6
82.98927	1.6
83.04972	5.6
84.04502	7.5
84.08144	9.1
85.02907	30.7
87.04461	2.6
95.01334	1.7
95.04964	6.6
97.00362	1.3
97.02911	11.6
97.06521	7.1
98.06053	2.4
98.20811	1.4
98.97594	1.4
99.04462	19.9
107.04936	5.8
109.02891	3.8
109.06535	1.5
110.06049	8.3
112.07585	2.6
115.03956	18.2
120.08134	4.9
125.05992	13.0
126.09149	2.1
127.03927	35.4
128.07094	14.8
129.10263	4.4
130.05013	4.5
130.08667	1.5
136.07565	4.0
142.08649	5.4
143.07062	4.0
144.06575	29.3
145.04962	2.5
147.04370	1.6
154.08636	20.7
156.06505	2.1
156.10217	2.0
158.08116	1.7
159.06543	33.0
163.03889	4.8
170.08090	2.5
172.09694	20.8
176.09193	21.7
182.08168	2.4
206.08202	2.4
214.10783	3.2
222.11288	1.4
224.09044	2.6
237.03142	1.4
238.10759	3.6
240.12262	6.6
256.11807	29.7
268.11813	1.7
274.12842	13.8
287.05618	3.0
300.14444	50.6
318.15485	100.0
319.15720	3.1
403.01437	1.6
462.19669	8.1
480.20776	83.9
481.21103	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	479.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.3
53.47119	1.4
55.01867	2.6
55.05272	2.2
55.05516	29.8
56.92657	1.5
57.03452	7.4
57.07064	4.3
60.56673	1.6
60.69733	1.4
65.03924	2.8
67.05510	100.0
69.03438	2.8
69.07082	17.5
69.28607	3.5
69.29024	10.7
71.04993	4.8
77.03940	1.9
79.05498	41.1
81.06592	3.5
81.07062	65.9
83.04988	2.4
83.08624	16.8
85.06537	6.0
91.04972	2.8
91.05486	29.5
93.07053	44.5
95.04944	2.3
95.08614	48.0
97.06524	3.4
97.10181	18.1
99.08107	4.8
105.04504	2.4
105.07038	21.4
107.08601	28.8
109.06513	2.6
109.10165	56.2
110.72794	1.5
111.08125	2.5
113.09694	1.8
113.18125	1.4
117.07024	7.4
119.08595	20.9
121.10154	27.3
123.08034	2.7
123.11720	10.7
124.93806	3.6
125.09664	13.4
129.06970	2.8
131.08600	13.0
133.10143	17.2
133.57257	1.5
135.08058	3.8
135.11696	28.6
137.09584	3.8
137.13264	2.9
137.92728	1.7
139.11118	2.5
142.94810	2.2
143.08485	2.1
145.10130	12.3
147.11719	12.4
149.09592	2.8
149.13242	11.6
151.11162	2.5
153.09196	1.9
155.10663	2.1
157.10179	3.8
159.11688	9.6
161.13246	5.1
163.11299	1.8
163.14792	2.3
169.10202	3.1
171.11703	4.9
173.11739	13.5
173.13298	9.5
175.14838	2.9
177.12807	2.3
183.11678	2.5
185.13243	1.9
187.14850	5.3
189.11276	8.9
189.16446	1.9
191.14331	1.9
201.16463	2.1
205.19481	5.4
213.16428	2.6
215.17992	17.7
217.19479	2.6
227.12807	7.5
229.14355	27.4
231.17548	2.8
233.19029	32.5
251.20058	2.4
259.20779	1.8
261.18488	1.8
271.20300	1.9
275.20068	2.2
289.21664	3.8
305.21033	2.4
307.22742	16.4
308.29413	4.7
351.26807	4.2
369.27841	10.0
387.28848	5.8
405.29831	3.6
412.11111	1.7
443.31702	4.5
461.32721	29.8
479.21945	8.0
479.33768	24.1
480.33850	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	479.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11146	0.3
55.05513	1.0
56.05030	1.3
58.06631	0.4
60.04510	0.5
69.07075	1.6
69.89139	2.1
70.06593	3.5
72.08161	3.9
77.96298	0.4
81.03433	0.5
81.07046	0.6
82.06579	0.7
84.04507	13.8
84.08136	2.5
85.02921	1.8
86.09709	100.0
87.10040	0.5
90.46032	0.4
91.05486	0.9
93.07047	1.0
99.00830	0.7
102.05547	33.4
102.72725	0.4
103.05476	0.9
105.07011	0.9
107.04951	0.7
109.02893	0.4
110.06043	1.9
110.07172	1.0
120.08110	23.5
121.06552	0.5
127.08695	1.4
128.07103	1.5
129.06604	0.6
129.10284	1.3
130.05064	0.4
131.04880	0.3
133.10150	0.9
137.05997	0.6
138.05519	1.2
142.08678	0.5
151.11037	0.5
155.08157	7.4
156.06602	0.7
166.08632	9.8
173.09229	23.7
184.06046	0.5
187.10811	0.9
197.12959	1.3
201.08710	42.4
202.08928	0.5
203.04462	0.4
215.10410	1.1
215.14037	1.3
219.13425	2.5
221.82776	0.4
225.11156	0.7
233.16499	5.3
245.09270	1.0
261.16013	3.6
279.17050	28.4
286.17706	1.3
287.10254	1.1
299.14890	2.5
302.04269	0.5
303.05045	3.0
314.17084	6.9
317.06674	1.5
338.07281	0.4
418.19955	0.5
461.15701	0.4
479.11716	1.7
479.25455	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.8
51.02381	1.3
52.87626	0.7
53.00297	3.2
53.03949	9.3
55.01877	8.4
55.05519	5.0
57.03425	1.3
60.08162	1.1
65.03944	3.3
67.05508	36.1
68.34698	0.8
69.03430	1.4
69.07077	7.7
70.06593	1.7
71.01364	1.3
71.05002	1.6
71.50173	1.3
72.08160	3.3
73.02915	3.1
77.03944	1.4
79.05499	70.1
80.77638	0.7
81.03420	12.6
81.07063	29.1
83.04997	6.6
83.08624	0.9
84.08167	1.0
84.87167	0.8
85.02909	1.6
85.06538	2.1
86.09708	5.8
91.05485	35.7
93.03452	0.8
93.07046	25.5
95.01327	3.0
95.04979	15.5
95.08608	9.9
97.02891	0.9
97.06525	9.0
97.10144	1.2
99.00829	9.5
99.04520	0.8
100.11212	0.9
103.05471	4.3
105.03398	1.2
105.07037	100.0
106.07382	1.1
107.04962	38.9
107.08596	19.6
109.02852	0.9
109.06534	5.3
109.10128	1.1
111.04454	1.6
115.05473	6.0
117.07022	13.2
119.08594	9.8
121.06503	4.3
121.10151	21.8
123.04439	3.4
123.05257	0.7
123.08066	6.0
125.00018	2.8
125.06007	1.5
128.06215	1.0
129.07004	3.3
130.07814	2.2
131.04935	4.6
131.08582	6.8
132.78697	0.8
133.06505	31.3
135.04449	1.5
135.08090	6.9
135.11696	15.8
137.05989	1.2
142.55360	0.7
143.08595	1.5
144.05702	1.4
145.06493	8.5
145.10129	22.3
147.08072	1.3
149.09587	5.0
151.07558	36.1
153.06938	1.5
155.06055	0.8
155.08571	9.0
155.42067	0.7
158.07266	1.3
159.04462	1.4
163.03912	2.4
163.11189	26.3
173.09637	25.0
179.07008	2.1
181.12247	5.0
184.07381	13.6
187.03987	1.3
191.10678	12.3
197.08167	0.9
209.11740	10.6
213.05501	1.0
215.09207	1.9
227.12794	10.4
237.11298	1.2
253.10721	2.0
265.14362	35.7
267.13745	1.1
271.11804	2.7
283.15472	6.2
317.06607	6.5
355.15338	5.5
373.16312	1.1
382.14362	0.8
461.20941	1.2
461.26761	3.5
479.22641	39.1
479.34882	1.4
480.23367	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	479.1191
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03943	0.3
55.01897	0.3
55.05528	0.5
56.05031	0.3
59.05002	0.3
67.05510	0.6
68.99818	0.3
69.03447	0.5
69.07076	0.5
70.06593	1.9
70.61479	0.3
70.61810	0.5
72.08163	2.3
78.01126	0.3
79.05510	0.9
81.03432	0.6
81.07057	0.9
83.05008	0.3
84.04517	0.4
84.08137	1.3
85.02914	0.6
86.09707	2.9
89.06055	0.6
91.05492	0.8
93.07056	0.8
95.04959	0.5
95.08611	0.3
97.02890	0.5
97.06559	0.7
99.04507	0.3
102.05539	0.3
105.07048	0.6
107.08598	0.4
109.02877	0.3
110.03691	0.6
110.07194	0.4
113.06078	0.3
116.07096	0.3
119.08612	0.5
120.08107	0.9
121.10141	0.4
123.04444	0.3
128.06183	0.2
129.10254	0.7
133.10132	0.3
135.04404	0.2
135.08025	0.3
135.11681	0.3
137.02324	1.8
145.06598	0.3
149.09604	0.2
149.50200	0.2
153.01785	1.1
157.13445	0.3
163.03934	0.5
173.02402	0.3
173.12927	0.3
187.03922	0.3
193.11623	0.2
200.04733	0.7
204.04216	0.6
213.05576	0.3
228.04201	2.9
229.04993	1.2
243.06503	0.4
245.04469	1.6
256.03677	0.7
257.04605	1.2
257.06985	0.3
260.49442	0.2
267.13904	0.3
273.04016	0.9
274.04749	5.4
285.03848	1.2
286.04611	0.2
299.05771	0.2
301.03445	12.5
302.04230	52.0
303.04739	1.7
315.86386	0.2
317.06570	100.0
318.06998	2.0
355.15424	1.1
455.80118	0.3
461.26730	1.1
479.11832	3.2
479.21768	0.4
479.28082	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05061	0.3
50.52155	0.3
53.03941	0.9
54.28823	0.3
55.01872	0.7
55.05499	1.2
56.05026	0.8
57.03424	1.0
60.04514	0.5
61.02937	2.4
67.05512	0.5
68.99787	0.6
69.03437	3.6
69.07060	0.7
69.89531	1.7
70.06596	5.7
71.04990	0.8
72.08160	6.1
73.02916	0.7
74.06091	0.3
79.05494	0.6
81.03419	2.1
81.07050	1.0
83.04993	0.6
83.84068	0.3
84.04509	1.2
84.08149	4.5
85.02906	10.9
85.06580	0.3
86.09715	7.7
87.04471	0.5
87.10061	0.3
88.03952	0.4
91.03928	0.9
91.05486	1.2
92.02631	0.9
93.03411	1.6
93.07059	0.8
95.04945	0.7
95.08606	0.9
97.02894	3.1
97.06530	0.5
98.20842	0.6
99.04475	0.7
102.05557	0.7
103.05448	0.7
105.07030	0.4
107.08618	0.8
109.02864	1.2
110.07150	1.0
112.11259	0.6
116.07101	1.3
118.14996	0.4
119.08588	0.4
120.08118	3.3
121.02872	1.0
127.03938	2.2
128.10703	1.0
129.10265	1.7
133.10133	0.7
135.04431	0.6
136.07562	0.5
137.02309	0.4
137.05998	0.4
139.03928	1.1
140.00114	0.3
145.04965	1.2
151.03911	0.5
153.01831	8.7
159.11702	0.8
163.03908	0.6
165.01857	0.6
177.05521	0.5
179.03572	0.4
201.05493	0.9
201.12450	0.4
203.03401	0.6
217.04959	0.8
218.05792	0.5
228.04169	1.9
229.04962	4.4
231.03043	0.4
243.06631	0.5
245.04451	1.3
246.05191	2.5
256.03659	0.4
257.04437	2.4
261.07660	0.5
273.04047	2.0
274.04752	4.5
279.17172	0.3
284.03394	0.4
285.03928	4.4
301.03442	0.8
302.04208	15.3
303.05127	1.8
317.06577	100.0
318.06924	1.7
398.05249	0.4
444.82602	0.3
461.26651	0.5
467.31290	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1191
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
52.59804	0.2
53.03935	0.5
55.01859	0.3
55.05489	0.9
56.05019	0.7
57.03425	0.4
60.04522	0.4
61.02932	3.5
65.03929	0.3
67.05520	0.5
68.99769	0.3
69.03408	0.9
69.07050	0.9
70.06268	0.4
70.06601	4.5
70.62185	0.6
70.62534	0.3
71.04983	0.2
72.08157	5.0
73.02905	1.0
79.05472	0.7
79.37739	0.3
81.03401	0.9
81.07052	0.8
83.04988	0.2
84.04507	1.4
84.08155	4.1
85.02914	3.6
85.08463	0.5
86.09716	7.6
86.10242	0.4
87.05604	0.2
87.10050	0.5
88.04004	0.3
89.06024	0.2
91.03962	1.9
91.05481	1.1
92.02637	0.6
93.07037	0.7
95.04935	0.4
95.08585	0.3
97.02900	1.9
97.06538	0.4
98.06066	0.2
98.09711	0.3
102.05528	0.9
103.05453	0.5
105.07031	0.5
107.08578	0.4
110.03661	0.5
110.07164	0.2
110.09688	0.3
112.08726	0.3
112.11236	0.3
116.07113	1.7
119.08566	0.4
120.08111	4.1
121.02865	0.7
121.06462	0.3
123.08076	0.3
127.03915	0.7
129.10205	1.8
130.06534	0.5
132.08087	0.3
133.10104	0.7
136.07607	1.2
137.02325	1.1
137.05893	0.3
138.27643	0.3
139.03899	0.6
145.04950	0.3
149.09633	0.3
153.00719	0.5
153.01839	4.9
157.13353	0.4
159.07726	0.2
159.09276	0.3
161.09657	0.3
163.03935	0.4
165.01768	0.3
166.08701	0.3
171.15012	0.5
171.54712	0.3
173.09387	0.3
173.12910	0.3
177.05481	0.5
183.14677	0.3
189.09119	0.3
193.01173	0.2
196.66702	0.3
200.04732	0.4
201.05415	0.5
201.08722	0.5
203.03384	0.5
204.04184	0.3
213.12628	0.3
217.04964	0.6
218.05771	0.4
225.11287	0.3
228.04193	2.4
229.05022	2.7
231.03036	0.3
233.21115	0.3
237.12488	0.3
243.13341	0.3
245.04446	1.6
246.05284	1.2
256.03671	0.4
257.04425	2.0
260.03168	0.5
273.03897	1.8
274.04752	4.6
279.17026	0.5
284.02988	0.3
285.03903	3.0
286.04718	0.3
299.10361	0.4
299.15146	0.9
300.15842	0.3
301.03479	6.5
301.11429	0.3
302.04233	34.0
303.04865	2.2
316.28415	0.3
317.06583	100.0
318.06943	1.6
479.27243	0.6
487.10977	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.119
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
56.05027	0.2
63.57553	0.2
69.03416	0.2
69.07066	0.2
70.06602	1.7
70.23187	0.6
72.08148	0.9
74.06094	0.4
84.04498	0.3
84.08159	1.2
86.09713	1.3
87.48596	0.2
92.02612	1.1
93.03387	1.1
93.06866	0.2
104.61089	0.2
109.02869	0.2
111.00792	0.3
115.08723	0.2
120.08057	0.2
121.02904	1.1
123.04354	0.2
126.03143	0.4
129.10237	0.7
131.06265	0.2
136.07555	0.2
137.02385	0.2
139.03908	0.9
151.03952	0.9
153.01845	7.8
165.01872	0.5
177.05490	0.3
183.02937	0.3
200.04552	0.2
201.05525	0.6
203.03432	0.4
217.04999	1.0
218.05786	0.8
219.02968	0.3
228.04144	1.8
229.04994	3.6
231.02960	0.4
233.65504	0.2
245.04462	1.4
246.05258	2.1
256.03635	0.3
257.04504	2.8
260.03152	0.3
261.07584	0.3
271.05920	0.3
273.03970	2.1
274.04736	4.8
284.03134	0.6
285.03952	4.9
302.04233	13.0
303.04572	0.3
317.06589	100.0
318.06927	2.1
417.25787	0.2
479.11786	0.7
479.18115	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.119
Annotation	6-Hydroxykaempferol 4'-methyl ether 7-glucoside
Peak:m/z	Relative Intensity
51.02254	0.3
51.02464	0.4
51.89125	0.3
53.00149	0.6
53.00420	1.2
53.03783	0.7
53.04064	1.9
53.94715	0.3
55.01691	1.5
55.01991	3.5
55.05326	1.5
55.05627	3.9
57.03563	1.5
59.04844	0.5
59.05084	0.5
61.02717	0.6
61.03054	2.2
61.73244	0.4
65.04048	0.9
67.05235	2.1
67.05641	7.7
69.03166	0.7
69.03568	3.0
69.07205	1.2
69.44067	1.2
69.44492	1.6
70.06734	1.6
71.01449	0.7
71.05121	1.0
72.08292	1.7
73.03036	0.8
77.04033	0.5
79.05644	19.0
81.03056	1.1
81.03569	5.5
81.06676	1.5
81.07208	7.5
83.05135	1.9
83.08766	2.1
83.84498	0.4
84.04600	0.5
84.08303	1.3
85.02511	1.0
85.03061	5.9
85.06683	0.6
86.09848	1.0
86.68146	0.3
87.04102	0.4
87.04601	0.8
91.03606	0.4
91.04105	1.3
91.05010	3.2
91.05645	20.7
91.72875	0.3
93.03530	0.6
93.06555	2.3
93.07208	14.8
95.00952	0.5
95.01491	1.3
95.05138	4.0
95.08775	2.5
97.02386	0.6
97.03057	4.3
97.06693	1.6
97.10303	0.5
98.06180	0.4
98.09745	0.4
99.00284	0.7
99.00981	5.0
99.04627	1.1
100.11337	0.4
103.05643	2.1
103.70276	0.4
105.04659	0.5
105.06427	1.5
105.07209	14.2
107.04327	2.0
107.05134	19.0
107.07984	1.2
107.08772	10.9
109.03061	3.8
109.06676	1.5
109.10341	2.0
111.04568	0.6
111.07597	0.4
111.08250	1.4
114.09426	0.4
115.04050	0.8
115.04790	0.8
115.05644	3.4
117.06286	1.4
117.07200	16.7
119.05138	1.4
119.08761	4.5
121.03059	1.0
121.05753	0.5
121.06690	7.3
121.10333	2.8
123.04620	2.4
123.08224	0.8
123.11849	0.5
124.01691	0.5
125.00104	0.4
125.02519	0.6
125.09802	0.9
127.04097	1.7
128.06372	0.5
129.07176	1.2
131.08765	1.6
133.06505	3.3
133.08708	0.5
133.10312	8.9
135.04642	0.8
135.07124	2.2
135.08246	31.7
135.11894	1.6
137.02533	2.0
137.05185	0.4
137.06161	1.1
137.09766	0.7
139.07693	0.8
141.05672	0.5
143.08730	1.5
145.03090	0.4
145.05382	0.6
145.06494	7.0
145.10149	2.3
147.08211	0.7
147.11835	0.7
149.09802	1.1
151.04054	1.0
151.07544	2.9
151.11208	3.0
153.07181	0.4
153.09114	2.6
155.06151	0.7
155.08684	0.9
157.10352	0.4
159.04599	0.6
161.02444	0.6
161.09608	4.7
163.03900	2.5
163.06290	0.7
163.07552	16.4
163.11215	1.9
165.09212	0.7
167.03439	4.2
171.04573	0.5
171.08260	1.2
171.79019	0.4
173.02531	1.1
173.09616	2.2
179.03612	1.6
179.09207	0.5
179.10678	2.5
181.08606	5.2
181.12430	0.9
184.07538	1.6
187.04045	1.0
187.07697	0.6
189.09079	2.5
191.10780	0.6
197.04578	0.4
197.11853	0.8
199.09645	3.3
200.04851	0.8
203.03581	0.4
207.10321	1.1
209.11885	1.1
210.14987	0.8
213.05692	1.1
215.07201	1.4
225.11258	3.8
225.12993	0.3
227.12917	1.2
228.04369	0.6
237.11223	19.6
243.06549	3.2
243.12236	0.5
245.09456	0.4
245.50977	0.4
253.10760	0.5
255.12395	1.4
257.04462	0.5
265.14404	2.7
267.13879	0.8
271.05969	1.9
273.03958	0.7
274.04718	3.3
281.13818	3.0
283.15488	0.5
288.06369	0.8
299.05560	0.9
299.14932	2.4
302.04172	2.8
303.05002	0.6
311.12817	0.8
311.16354	0.6
317.06580	100.0
318.06906	1.5
355.15387	5.0
373.16205	0.6
461.20642	0.8
461.26947	2.7
479.22281	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	479.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.7
53.74802	2.2
55.01861	5.4
55.05503	6.0
57.03432	6.5
57.11984	2.2
60.39934	2.1
61.02937	3.2
67.05503	8.6
68.22266	2.2
68.99786	10.4
69.03436	50.4
69.07069	4.7
71.04992	10.3
71.50435	2.8
79.05487	3.7
81.03425	58.8
81.07067	11.5
83.04973	11.3
85.02914	64.8
87.00843	19.7
91.05492	5.6
93.07043	10.7
95.04951	5.1
95.08623	6.4
97.02884	15.9
99.04448	15.2
103.03930	4.7
105.01866	7.7
105.07022	11.2
107.08608	8.9
109.02897	50.3
109.10164	6.7
111.04457	7.9
113.02296	2.3
115.03973	2.6
119.08618	6.7
121.10179	3.4
123.04356	5.6
125.02291	2.9
127.03934	100.0
129.01878	3.9
131.08537	2.9
133.10158	6.2
135.11766	2.4
139.03925	3.3
145.04971	5.4
145.10213	3.6
149.13228	3.3
157.10158	3.2
159.11694	3.1
161.13239	6.9
169.05096	4.4
181.37737	2.6
187.06070	5.1
189.03972	9.8
213.03926	12.2
231.05084	11.0
255.05006	3.5
272.10815	2.3
273.06012	7.0
292.33240	2.6
443.08112	3.1
461.09421	12.0
478.41364	5.7
479.26489	3.6
479.42020	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	479.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38896	2.4
53.03937	9.3
55.01868	5.6
55.05503	4.1
57.03413	4.4
57.88672	2.5
67.05502	6.3
68.99796	7.1
69.03093	3.1
69.03436	43.4
71.05004	4.9
71.30754	3.1
73.02906	4.6
81.03423	61.1
81.07072	2.3
83.04961	9.8
85.02913	70.8
87.00841	17.1
91.05486	2.5
93.07014	3.9
95.04918	2.4
95.08576	4.1
97.02892	21.5
99.04469	21.7
103.03953	4.5
105.01897	5.5
105.07059	2.8
107.08576	3.5
109.02892	49.2
109.10129	2.7
111.04436	4.8
127.03929	100.0
129.01868	3.0
132.18956	2.4
133.10098	4.9
135.11710	2.8
141.05470	2.7
142.42952	2.3
142.69614	2.4
145.04924	3.9
151.04007	2.9
169.05002	2.7
171.02898	4.7
178.58585	2.6
187.05968	3.8
189.03938	8.5
213.03920	13.0
220.10834	2.5
231.05026	7.2
346.11688	2.4
371.65924	2.7
461.09268	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	479.0826
Annotation	Quercetin-3-Glucuronide
Peak:m/z	Relative Intensity
57.03440	0.7
68.99785	0.7
69.82404	0.9
69.82811	1.8
70.06583	0.8
71.01350	1.8
72.08160	2.2
73.02907	3.8
84.08135	0.5
85.02907	8.1
86.09718	1.2
95.01358	0.8
97.02890	0.6
99.00858	0.7
111.00809	1.4
112.43014	0.5
113.02370	3.9
120.08125	1.9
121.02833	0.5
131.03412	1.7
136.07562	0.5
137.02367	3.6
141.01849	1.3
153.01865	3.8
159.02913	1.5
163.03867	0.9
165.01871	1.9
187.03827	0.7
190.03644	0.6
201.05510	1.8
219.06511	0.6
229.04962	4.5
247.05983	0.9
257.04468	2.6
261.37753	0.5
285.03949	1.4
303.05011	100.0
304.05142	2.4
323.47803	0.5
338.12360	0.6
363.62067	0.5
453.38791	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02355	3.0
53.03951	7.2
55.01871	9.2
55.05506	14.7
57.07062	6.3
65.03918	3.4
67.05511	100.0
69.03436	8.5
69.07076	24.1
70.57381	8.6
70.57774	5.1
71.05003	22.8
74.96583	3.5
79.05501	49.8
79.43250	3.2
81.03409	12.1
81.07070	52.2
83.04971	9.7
83.08604	9.7
83.85778	3.3
85.02904	24.4
85.06535	6.7
86.69958	4.1
87.04471	27.1
91.05492	76.6
93.07055	63.6
95.04980	22.4
95.08623	42.9
95.09193	5.2
97.06522	13.6
97.10159	4.0
99.04480	25.2
101.02399	6.1
103.07354	3.0
105.07040	85.4
107.08604	31.1
109.06487	5.7
109.10161	23.5
111.04459	8.7
113.06017	9.0
115.03967	20.5
117.07021	11.7
119.08583	56.4
121.06486	8.2
121.10149	18.4
123.08080	23.4
123.11698	9.8
129.07002	16.8
131.08568	10.3
133.10153	8.6
135.08026	3.4
135.11684	16.6
137.09628	54.6
137.13275	6.1
141.05472	7.7
145.10100	9.3
146.95477	3.5
147.08083	36.2
147.11708	8.4
149.13284	19.8
159.11714	8.4
161.13255	5.9
163.14841	14.9
165.09137	55.3
173.13306	8.8
175.14789	3.8
183.10170	26.7
187.14807	5.9
189.90218	3.5
229.61037	3.8
243.21075	19.2
253.75089	3.4
261.22177	76.8
301.56973	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2932
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.05514	8.6
55.66355	1.9
55.82517	2.3
59.57495	1.8
62.06096	30.7
67.05510	21.2
69.07063	11.0
69.28505	9.9
69.28928	7.4
76.27470	2.0
79.05493	8.0
79.35748	1.8
81.07061	21.2
83.08633	5.1
91.05518	2.5
93.07058	5.9
95.08619	17.0
97.06519	2.2
98.98469	6.4
105.07031	3.6
107.08591	5.8
109.10154	10.2
121.10171	4.1
123.11737	3.4
133.15672	2.0
147.11720	2.2
155.01080	5.0
159.69565	2.1
161.13126	2.2
165.30524	1.9
216.06337	3.3
237.44447	2.0
245.22878	2.4
247.07550	2.3
250.50218	2.5
263.23715	6.3
292.01294	2.1
306.27979	12.3
337.27393	100.0
338.27652	3.6
460.28317	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	478.2931
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
51.47517	0.2
53.00316	0.4
53.03933	0.6
55.01876	0.5
55.05518	11.4
57.03442	7.4
57.07080	1.7
62.06083	0.4
65.03939	1.1
67.05510	24.8
68.96318	0.3
69.07073	14.9
69.96902	0.7
69.97311	0.5
71.05008	0.5
71.08644	0.6
74.21699	0.2
79.05500	7.2
81.07062	25.3
83.04978	0.8
83.08153	0.5
83.08625	7.6
83.09125	0.5
85.06552	0.8
89.98489	0.2
91.05489	4.5
93.07050	7.0
94.44566	0.3
95.04979	0.4
95.08614	19.1
97.06553	1.8
97.10181	3.6
98.06046	0.4
98.98487	0.5
99.08076	0.5
105.07043	3.7
107.08612	3.4
109.06545	0.2
109.09471	0.5
109.10163	6.5
111.08067	0.8
111.11719	0.7
119.08588	3.2
119.85538	0.2
121.10136	2.6
123.08103	0.3
123.11716	2.9
124.01633	0.5
125.09617	0.4
133.10139	2.7
135.11708	1.5
137.09628	0.4
137.13258	1.1
142.58627	0.3
147.11659	1.4
149.13313	0.8
151.14888	0.4
161.13293	1.2
163.14859	0.5
175.14890	0.8
177.16417	0.4
198.05292	0.3
216.06358	0.8
263.23737	1.1
300.15207	0.3
306.27908	2.9
315.20459	0.2
333.58548	0.3
337.27380	100.0
338.27744	2.6
379.85797	0.3
460.42560	0.3
481.41885	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.7
55.23557	0.5
55.55844	0.5
55.75049	0.5
56.05026	0.6
58.86205	0.5
59.05007	0.5
63.41045	0.5
69.07066	0.6
70.06580	4.5
70.82987	1.5
72.08163	3.0
73.02957	0.5
73.06565	1.7
84.04505	0.9
84.08158	4.0
86.09703	6.5
87.04478	6.6
89.06034	100.0
99.13864	0.6
105.10280	0.6
107.07072	1.6
112.08704	0.6
120.08120	2.2
129.10266	1.6
130.08678	0.7
131.07079	3.0
133.08611	62.3
142.37657	0.6
175.09673	1.2
177.11232	20.2
179.12949	0.6
195.12292	0.7
198.34360	0.6
201.12480	0.9
207.11406	0.7
221.13821	4.3
229.11978	0.7
231.00989	0.6
239.14859	1.2
265.16473	1.1
283.17703	1.3
327.20322	0.8
371.22641	1.1
383.32996	0.6
415.25488	1.6
459.28046	9.6
459.92142	0.6
500.20215	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.3
55.05519	10.9
57.03438	5.8
57.07075	2.1
62.06091	9.8
63.82254	2.3
65.03949	3.3
67.05181	3.5
67.05508	45.6
69.03437	2.3
69.07063	10.1
70.06583	7.3
71.51073	3.1
72.08147	3.5
79.05496	24.1
81.03410	2.2
81.07059	43.8
83.08624	6.4
84.08114	2.2
85.02896	3.3
86.09706	2.9
91.05475	17.6
93.07052	29.5
95.04955	3.8
95.08617	30.2
97.10172	2.8
98.98461	4.1
100.07604	2.8
105.07029	16.3
107.08584	12.0
109.10171	12.8
117.07011	7.4
119.08595	12.6
120.08090	4.4
121.10168	8.2
123.11710	5.5
128.07100	2.9
130.07921	2.4
131.08577	5.8
133.10144	8.3
135.11699	7.4
142.07790	3.0
143.08578	5.2
144.12236	2.3
145.10110	14.4
147.11671	4.2
148.11143	2.8
149.13284	3.0
157.10028	3.6
159.11690	5.4
163.14845	2.6
168.10226	5.3
171.11664	3.9
173.13242	3.5
181.57275	2.1
183.11682	2.5
194.11783	5.3
243.21083	4.4
261.16235	2.7
261.22250	6.3
279.23206	5.9
304.26321	2.1
317.24878	4.5
335.25812	100.0
341.62585	2.3
414.31589	3.7
458.31128	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	476.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12812	1.3
52.69321	1.3
53.03950	2.4
55.05521	8.6
57.03453	6.7
57.07101	1.5
62.06097	12.0
65.03944	2.8
67.05509	36.3
69.07079	7.0
70.06590	8.0
70.99979	2.8
71.06971	1.6
72.02234	1.2
72.08163	1.6
79.05504	18.7
80.29408	1.2
81.07063	32.3
82.06551	1.2
83.08636	3.2
84.08146	1.5
91.05496	17.8
93.07047	26.4
95.04974	2.2
95.08624	20.1
97.10191	1.9
98.98449	3.8
100.07623	2.0
103.05445	1.5
105.07043	16.3
107.08601	12.1
109.10165	9.2
115.05437	1.7
117.07029	5.8
119.08591	12.4
120.08186	2.0
121.10147	11.0
123.11728	3.3
124.33093	1.2
128.06284	1.8
128.07074	8.1
129.05487	1.7
129.07011	3.0
131.08563	7.9
133.10144	6.3
135.11699	7.3
137.60696	1.2
139.07898	1.4
142.07843	1.7
143.08569	3.6
145.10121	10.7
147.11705	2.4
148.11235	2.8
149.13277	4.0
156.09380	1.8
157.10130	3.8
159.11725	5.3
161.13344	3.3
163.11229	1.4
163.14796	1.4
168.10233	5.5
169.10110	2.3
171.11688	2.6
173.02101	2.2
173.13316	4.2
175.14850	2.5
181.10091	1.4
184.07515	1.6
187.14854	2.5
194.11824	6.7
197.13179	1.8
216.06349	1.5
233.22879	1.5
243.21133	4.4
260.16672	1.4
261.22125	6.7
265.18976	1.3
279.23270	1.8
298.75061	1.5
302.31119	1.2
304.26428	3.2
317.24911	2.9
335.25830	100.0
336.26419	1.8
414.31610	3.8
415.22372	1.6
458.30597	2.9
476.27347	5.3
488.05362	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
53.34288	0.6
55.01884	0.7
55.05523	6.2
57.03194	0.7
57.03445	6.8
57.07069	1.6
57.44500	0.5
59.04988	0.9
59.16334	0.5
62.06080	0.7
65.03934	1.5
67.05511	33.7
69.07078	5.2
70.06587	1.3
71.04996	0.8
71.08635	0.7
71.49924	0.7
72.08159	0.9
79.05504	15.6
81.07064	29.4
83.04960	0.6
83.08632	2.8
84.08141	0.8
89.06039	0.9
91.05486	9.9
93.07051	21.5
95.04970	1.3
95.08614	21.0
97.06523	1.2
97.10157	1.4
98.06094	0.7
98.20866	0.6
99.08080	0.8
105.04499	0.9
105.07037	6.5
107.08602	9.6
109.06523	1.0
109.10165	7.6
111.08073	0.9
117.07039	3.0
119.08572	3.3
121.10150	6.2
121.55688	0.6
123.08051	0.6
123.11732	1.9
123.98167	0.5
126.54485	0.5
127.24945	0.6
131.08568	5.2
133.08665	0.5
133.10118	2.9
135.11737	3.9
145.10158	4.3
147.11684	1.6
149.13260	2.1
153.01900	0.8
159.11711	2.3
161.13356	1.3
163.11256	0.6
163.14867	1.6
173.13286	2.1
175.14861	0.9
187.14864	1.3
201.16322	0.7
213.93419	0.6
216.06358	0.9
219.17274	0.5
239.03336	0.7
243.21077	2.1
256.06735	0.6
261.22165	2.6
279.22934	0.8
304.26392	5.4
317.24710	1.3
335.25827	100.0
336.26215	1.7
368.82147	0.5
476.28061	0.7
477.15515	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	476.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.05518	9.4
57.03442	4.5
57.03667	1.0
57.07077	1.1
62.06095	34.4
62.12600	0.9
65.03925	1.2
67.05510	34.7
68.03212	1.0
69.07079	8.6
70.43181	1.0
79.05069	1.7
79.05496	22.0
81.03383	0.9
81.07063	26.6
82.27364	0.9
83.08600	3.5
91.05479	12.3
93.06480	1.6
93.07048	20.6
93.33593	1.0
95.04958	1.5
95.08614	20.7
97.06490	1.9
98.06059	1.3
98.21465	2.2
98.84430	0.9
98.98478	12.1
105.07034	9.1
107.08613	9.8
109.10166	7.3
112.44502	0.9
117.07019	2.3
119.08587	7.8
121.10178	7.1
123.11719	1.4
124.01604	2.3
131.08611	4.6
133.10106	4.6
135.11723	5.4
142.02650	1.5
143.08597	1.1
145.10107	2.9
147.11682	3.6
149.13203	2.4
155.01033	2.2
159.11650	2.2
159.77211	0.9
161.13257	1.6
163.14815	1.6
173.02126	3.4
173.13286	2.6
198.05304	2.4
216.06299	3.9
243.21127	2.6
261.22186	7.5
304.26340	14.0
317.24783	1.6
335.25818	100.0
336.26080	2.4
375.29407	1.0
458.26865	2.8
476.27277	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	476.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
55.01859	0.6
55.05515	7.4
57.03439	6.3
57.07062	0.8
58.92158	0.2
62.06063	0.5
65.03947	1.4
67.05507	30.9
69.03416	0.3
69.07071	8.3
71.04993	0.7
71.29728	0.6
75.64562	0.2
77.03914	0.3
79.05495	16.0
79.80231	0.2
81.03373	0.3
81.07057	25.0
83.04961	0.7
83.08624	2.6
85.06529	0.4
91.05486	8.0
93.07044	16.9
95.04963	1.2
95.08608	21.2
96.08926	0.3
97.06490	0.8
97.10139	0.7
98.06045	0.5
98.98466	0.6
99.08040	0.3
105.04545	0.4
105.07044	4.1
107.08593	6.5
109.06525	0.6
109.10157	7.0
111.08065	0.3
112.05087	1.5
117.07028	1.7
119.06047	0.2
119.08583	3.4
121.09333	0.4
121.10149	5.1
123.08073	0.3
123.11705	2.2
124.01548	0.5
131.08568	2.4
133.10132	1.9
135.11687	2.9
137.09630	0.3
137.13203	0.5
145.10141	1.7
147.11708	1.2
149.13264	1.4
159.11707	0.7
161.13249	0.8
163.14861	0.5
173.13248	0.6
191.14436	0.3
198.05272	0.3
216.06322	0.8
261.22131	0.8
304.26367	2.2
335.25803	100.0
336.26160	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	476.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
53.64328	0.8
55.01873	1.5
55.05518	1.7
56.05033	2.1
57.03444	1.4
60.04531	1.5
67.05492	2.9
68.05021	1.8
69.03436	7.1
69.07073	1.5
70.06596	11.9
71.05004	1.2
71.49512	1.2
72.08154	12.5
74.06094	1.4
79.05499	25.8
80.05016	4.6
81.03423	13.7
81.07065	24.6
82.06573	1.0
83.04990	2.6
84.04514	3.6
84.08154	8.9
85.02911	3.7
85.06541	2.0
86.06074	1.9
86.09712	11.7
87.10052	1.0
91.05485	4.2
93.07050	3.3
95.04977	5.3
95.17102	0.8
96.04498	1.0
96.08128	1.3
97.02895	6.0
97.06553	4.0
98.06059	15.4
99.04452	4.6
101.07130	1.1
102.05567	1.7
105.04529	1.1
107.04968	6.1
108.89948	0.9
109.02903	7.1
109.06523	47.2
110.07101	1.4
111.04404	1.9
112.11272	1.0
116.07103	5.6
117.03403	1.1
119.04941	3.4
123.04436	1.3
124.06823	0.8
124.07548	4.6
125.05996	47.0
127.03941	5.9
127.07581	2.8
129.10252	4.8
137.05983	46.9
140.07016	1.2
142.08641	100.0
143.07088	1.1
143.08948	1.0
144.06680	0.8
145.02861	1.5
145.05048	0.8
152.05678	0.8
155.07033	4.9
158.08098	1.2
160.09702	48.6
163.03889	1.3
173.08076	8.7
173.12866	1.4
177.05463	3.1
181.06125	0.8
187.14438	1.3
190.08513	0.9
202.10751	1.0
216.09941	1.2
232.09775	1.1
250.10846	2.0
281.10217	2.5
299.11295	5.7
317.12433	1.2
328.33371	1.1
399.31229	0.9
422.18033	1.2
440.18951	2.0
458.20139	7.5
476.21301	25.3
476.27307	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	475.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.0
55.01605	1.4
55.01869	3.0
55.05510	7.7
57.03201	1.4
57.03447	18.4
57.07081	41.2
59.04991	5.3
61.02932	60.1
67.05520	15.5
69.03086	2.0
69.03432	26.4
69.07072	10.5
70.00683	1.3
71.01334	3.5
71.04990	4.2
71.08637	33.5
71.51584	1.8
71.80038	1.2
73.02924	24.4
75.04494	2.1
79.05492	4.2
81.03428	16.1
81.07068	25.0
83.04980	3.3
83.08626	15.0
85.02913	56.2
85.09741	1.8
85.10194	16.8
85.93406	1.3
87.04456	3.8
89.06002	1.7
91.03963	34.2
91.05489	2.5
93.07034	2.9
95.08067	2.2
95.08624	32.2
97.02901	49.5
97.10182	8.6
99.04466	10.5
99.11736	2.3
101.02387	10.7
103.03942	7.6
103.07584	2.4
105.07040	1.5
109.02905	10.7
109.06496	1.5
109.10172	15.8
111.11688	1.9
115.03933	5.4
117.05532	2.3
117.09170	1.7
123.11715	6.8
125.13308	2.3
127.03923	21.2
129.05478	4.6
131.08566	1.3
137.13255	3.3
145.05003	7.1
151.14824	1.8
159.06512	1.8
169.46074	1.3
183.06580	5.9
201.07581	3.9
221.22639	2.6
227.80722	1.3
239.23727	26.4
257.24756	4.6
313.27396	100.0
314.27664	2.0
341.26892	3.3
355.28506	1.8
457.31479	4.3
475.32843	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11781	0.6
52.82784	0.6
53.03965	0.7
55.05516	4.3
56.05028	1.8
57.05822	0.8
60.04528	1.0
68.05022	0.9
69.07076	1.2
70.06595	14.4
70.55695	1.9
71.04993	0.6
71.06967	0.7
72.08159	40.2
73.08491	1.3
74.06089	1.0
82.06592	2.4
84.04510	3.4
84.08153	7.1
85.02904	0.8
86.09711	100.0
87.10022	2.1
88.03993	6.6
96.08150	2.1
97.06544	0.7
98.02438	1.9
98.06077	0.9
98.09753	0.7
99.09216	1.2
102.05543	6.7
110.07151	1.5
111.41505	0.6
112.11185	0.7
116.07112	1.2
120.08115	1.8
121.06503	1.0
122.06831	0.7
124.07594	1.6
127.08685	10.4
128.07101	1.3
129.10239	4.1
130.06567	0.7
132.10196	0.6
136.07550	1.2
137.53238	0.7
141.10187	1.6
141.50604	0.6
142.08633	11.4
143.11885	0.8
147.04527	0.6
148.04916	0.6
148.06062	12.0
152.07076	0.9
159.09213	0.8
164.07133	0.8
166.08669	1.2
169.09789	2.7
170.06012	0.7
170.08145	2.2
173.12885	0.9
183.11281	1.2
187.10789	48.4
197.12852	2.0
201.12415	2.2
215.10284	36.7
229.11896	1.0
243.13596	3.0
247.07545	0.8
247.13065	1.1
248.07846	0.8
261.14484	27.1
279.09958	0.9
283.16592	0.9
296.10565	0.9
297.10846	1.2
311.13016	0.9
312.13211	1.2
328.18674	3.8
357.12619	0.7
362.19537	0.7
457.27652	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75499	1.0
52.63685	1.2
53.03939	1.2
54.02464	1.0
55.01868	1.6
55.05500	2.4
56.05038	2.1
57.03428	2.0
57.07053	1.3
59.05004	6.0
62.99965	1.1
67.05502	7.1
68.05022	2.5
69.03435	2.0
69.07066	2.8
70.06593	15.5
70.71616	1.2
70.71979	3.3
71.05002	1.2
72.08154	7.3
73.02902	1.5
79.05488	4.1
80.04999	1.6
81.03417	3.5
81.07059	3.2
82.06596	1.6
83.04977	2.3
84.04499	7.4
84.08144	7.3
85.02898	1.3
85.06561	1.4
86.09229	2.0
86.09712	27.7
87.04449	2.6
87.10051	5.7
89.06040	8.4
91.05479	3.9
93.07040	6.1
94.06544	4.1
95.04981	11.0
95.08619	2.0
96.08123	3.1
97.02901	2.0
97.06531	2.0
98.06058	2.0
99.04446	2.0
102.05572	1.6
104.07067	1.6
105.07051	8.0
106.06559	1.5
107.04906	1.3
107.08614	3.6
108.08110	1.7
108.49941	1.1
109.06484	2.4
109.10191	1.5
110.09714	1.3
111.04443	1.8
111.17696	1.0
112.11334	1.2
116.07098	1.8
117.07033	2.0
119.04971	1.2
119.08557	5.9
120.08121	4.2
121.06480	1.7
121.10162	3.4
122.05975	2.0
122.09666	1.4
123.04419	3.2
123.08120	2.2
126.05515	1.2
128.07057	1.2
129.07043	1.7
129.10258	4.1
131.08585	4.2
133.08635	4.1
133.10167	4.3
134.09665	1.4
135.07983	1.3
137.09668	1.5
141.05458	2.8
142.07809	1.4
143.08543	3.9
144.06590	2.0
145.10152	5.3
146.09743	1.8
147.11679	3.7
152.07088	1.1
156.09262	2.1
157.10098	4.2
159.11578	1.6
161.09641	1.1
165.09126	1.3
169.10106	2.1
171.11774	2.5
173.13286	2.1
175.11270	1.3
177.11237	2.1
182.10829	1.6
183.11562	1.6
188.09163	1.6
197.13287	3.1
199.14911	1.9
199.18062	1.6
200.18384	2.2
203.14439	1.5
215.14398	2.0
221.15453	2.5
228.12358	1.3
228.17876	1.2
245.18796	1.1
266.14093	1.6
283.17612	1.5
314.00024	1.2
325.35468	1.3
398.55734	1.2
428.69135	1.1
438.26709	1.2
456.27661	4.1
474.28537	100.0
475.28616	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	0.7
58.06620	0.6
58.99578	1.3
60.99171	1.4
61.07192	0.6
69.07071	7.0
70.02959	2.7
70.06606	3.9
71.49675	0.7
72.08159	7.2
73.04032	0.6
74.06093	0.7
76.02230	7.3
77.02565	1.3
78.01810	9.3
78.02510	0.6
82.02911	0.8
84.04500	5.1
84.08153	4.5
86.09711	100.0
87.05595	10.4
87.10037	1.1
88.04002	2.0
95.04987	2.7
96.08073	0.5
97.04021	1.6
98.02455	1.1
99.05510	0.5
102.05589	1.1
112.08732	0.5
116.01691	2.0
118.01275	2.1
123.04437	13.3
124.03954	4.0
124.04797	2.4
124.07629	0.5
125.04988	0.8
126.01868	2.4
129.10248	3.3
130.05026	1.8
132.04512	1.4
133.06177	0.7
134.04507	2.0
134.06038	0.5
143.04515	3.1
144.02853	0.8
146.00740	1.5
150.01898	3.6
151.06018	0.6
159.11296	0.7
162.02242	2.3
163.02603	0.8
164.01730	3.3
165.05447	2.5
168.02940	5.5
171.04015	3.3
179.04868	4.8
180.05180	1.7
181.04358	7.5
183.11345	1.0
185.05653	1.9
189.05061	7.9
196.02518	1.4
199.18082	20.9
202.08136	0.6
213.05087	2.2
214.03487	6.0
227.17528	8.9
228.13380	2.7
230.07837	1.9
230.59091	0.5
231.06125	12.8
233.05948	0.9
234.06403	0.8
235.05602	2.3
238.14470	0.6
240.07132	0.6
248.08800	29.1
259.11935	0.5
302.12561	0.7
308.09250	0.9
309.09439	1.7
310.08820	6.1
341.21939	2.4
345.13049	6.4
361.17255	2.4
456.25089	0.7
457.22919	0.8
474.27286	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	473.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20719	0.7
51.88018	0.6
53.03949	2.0
55.05515	9.9
57.07075	3.3
65.03931	1.3
65.16648	0.6
67.05509	22.9
69.06731	1.1
69.07076	14.8
71.08651	1.1
71.50725	1.2
76.73783	0.7
79.05503	13.7
81.07066	48.5
83.08633	6.5
85.02919	0.8
88.72485	0.6
89.05457	0.7
91.05489	12.6
93.07053	32.3
95.04962	2.1
95.08617	57.7
97.10170	4.4
104.92622	0.6
105.07043	27.4
107.08607	39.0
109.10168	37.6
109.10938	1.3
111.11737	3.4
115.05474	0.7
117.07040	3.1
119.08593	38.8
121.10157	29.3
123.11720	15.1
128.06111	0.8
129.07021	2.8
131.08586	11.4
133.10141	26.0
135.11699	16.8
137.13263	4.3
142.07800	1.5
143.08566	6.9
144.09361	1.1
145.10133	23.0
147.11691	20.4
149.13271	16.7
151.14828	1.9
155.08543	2.6
156.09309	2.8
157.10161	12.7
158.10902	1.6
159.11710	23.0
161.13272	16.3
163.14824	10.7
169.10115	4.5
171.11694	11.9
172.12431	1.2
173.02936	0.8
173.13275	15.6
175.14853	11.2
177.16429	6.8
181.10078	0.9
183.11664	6.6
184.56989	0.7
185.13301	7.5
187.14856	11.4
189.16356	8.1
191.17960	2.7
195.11697	1.9
197.13257	4.4
198.14107	1.1
199.14828	8.5
201.16409	9.2
203.17958	7.7
205.19559	1.7
209.13210	1.6
211.14775	6.1
213.16417	12.7
215.17899	8.7
217.19521	4.1
221.05101	2.6
223.14862	1.4
225.16440	3.2
227.17928	6.1
229.19548	6.5
231.21124	2.3
237.16447	1.5
239.18016	3.1
241.19548	3.5
243.21098	3.9
245.22804	1.2
251.18071	1.7
253.19556	3.8
255.21129	4.4
257.22665	4.1
265.19522	1.5
267.21085	3.9
269.22641	4.5
271.24240	2.3
279.21170	1.3
281.22641	3.1
283.24194	4.1
293.22714	0.9
295.24185	4.0
297.25824	1.8
307.24298	1.8
309.25903	2.4
311.27347	2.4
319.24103	0.8
321.25833	1.6
323.27484	2.9
325.29022	1.4
335.27341	1.8
337.28943	1.5
349.29153	2.9
351.30502	2.0
353.23715	0.8
363.30399	2.2
365.32288	1.4
377.32104	1.6
379.33618	1.1
389.26862	0.8
391.33676	1.6
403.33807	1.3
417.35281	2.7
427.09122	0.9
455.27243	1.1
469.30267	0.8
473.28821	19.2
473.41470	100.0
474.41776	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	473.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.4
55.01860	4.3
55.05516	34.6
57.03194	2.6
57.03446	28.5
57.07077	13.8
58.13270	1.6
59.04990	2.1
61.02932	78.1
63.05940	2.0
67.05182	3.2
67.05514	41.4
69.03435	40.6
69.07072	45.3
70.90084	4.1
70.90430	1.9
71.01359	4.8
71.04989	8.2
71.08633	5.4
73.02930	32.0
75.04507	1.9
76.87962	1.8
79.05502	22.7
81.03421	21.9
81.07068	59.7
83.04972	3.3
83.08622	45.1
85.02914	66.3
87.04473	3.2
91.03962	43.3
91.05479	6.6
93.07043	28.0
95.04995	3.1
95.08615	38.6
97.02904	65.6
97.06535	7.7
97.10164	15.5
98.98484	8.8
99.04472	10.2
99.08067	3.2
101.02380	13.6
103.03941	5.6
105.07017	3.7
107.04898	2.0
107.08598	17.4
108.27127	1.8
109.02879	10.3
109.10155	12.4
111.04498	2.1
111.08105	5.2
111.11761	2.8
115.03918	8.4
117.05527	4.0
119.08565	3.1
121.10149	36.3
123.11751	11.1
125.09621	4.4
127.03927	27.8
129.05515	5.7
131.04868	2.3
133.10098	3.7
135.11708	23.7
137.00008	5.3
137.13261	7.2
139.11174	4.6
145.04962	10.5
145.10201	2.8
147.11671	4.1
149.13329	9.8
155.01050	5.4
159.06572	2.8
163.14842	4.5
170.08379	1.8
177.09911	1.8
177.16396	2.7
183.06584	3.7
201.07614	6.3
219.21130	16.4
237.22137	29.5
273.92651	1.8
311.25815	100.0
312.26007	2.5
337.27249	2.2
339.25403	3.0
381.26691	2.4
383.76944	2.0
455.29886	3.7
473.25858	3.6
473.32068	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	473.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.8
56.05023	0.8
59.05003	100.0
60.04525	1.1
63.05109	0.9
69.03435	1.0
69.07079	2.1
70.06596	6.3
71.50127	1.2
72.08157	28.7
73.06553	2.1
84.04513	6.0
84.08143	4.0
85.02924	1.6
86.09708	49.3
87.04468	6.4
87.10065	2.2
89.06033	73.9
91.05497	1.0
98.97617	2.7
102.05540	5.5
103.07584	69.4
106.28152	0.8
112.08724	0.8
115.53362	0.8
116.98640	1.4
117.09136	1.7
119.62321	0.8
120.08124	1.5
121.10211	0.7
127.03929	2.1
129.06625	1.2
129.10266	3.1
130.06549	0.7
131.07079	2.1
132.10239	2.8
133.08609	35.4
137.06035	1.6
147.10175	19.8
147.11296	1.3
149.83554	0.8
157.10316	0.8
158.99767	2.5
170.11847	1.3
177.00810	1.3
177.11194	6.1
183.11316	1.0
185.16634	2.1
197.13022	2.5
199.18152	2.3
201.12442	2.9
209.99950	0.8
213.16045	2.3
215.13889	8.8
223.08286	3.2
225.12466	0.8
229.11958	2.4
231.17053	7.0
241.09178	5.4
243.13368	9.3
245.18608	2.3
247.12996	1.5
259.10419	3.2
261.14514	1.0
297.12210	2.4
342.20398	1.9
416.06033	0.8
417.09781	0.8
473.15802	14.9
473.22101	1.1
473.31223	1.4
474.16229	0.8
493.65872	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99578	7.8
70.06602	27.5
71.49226	5.7
72.08131	11.7
76.02232	58.2
77.02566	5.5
77.70461	3.8
84.04515	18.0
84.08149	39.8
85.02893	12.4
86.09690	16.8
95.04946	10.9
97.02854	5.3
101.10104	3.8
102.05536	5.4
108.16720	3.8
113.42655	4.0
116.01665	13.3
117.06971	4.1
118.06528	9.8
120.26607	3.5
123.04449	42.0
124.04755	18.6
129.10228	18.0
129.11053	3.8
130.05005	8.7
130.06537	100.0
136.07608	7.2
142.03209	4.2
144.01173	5.5
144.08095	33.6
156.08063	7.3
162.02229	20.4
163.02596	10.1
165.05470	10.3
166.05807	6.6
172.07579	29.1
173.73236	3.5
174.09200	20.2
175.63673	3.3
175.65378	3.8
179.04849	44.3
180.05103	12.8
190.08658	64.7
233.05811	9.0
234.06175	7.3
308.09122	15.8
309.09454	19.4
320.32901	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.01868	3.2
55.05265	1.3
55.05516	13.1
57.03440	1.7
57.07079	1.8
58.99591	12.4
59.05001	3.7
61.46542	0.9
63.59898	0.8
65.03954	1.3
67.05183	1.5
67.05509	22.3
69.03426	2.4
69.07074	10.5
70.06591	2.5
71.04980	2.2
71.50550	1.4
72.08161	2.1
74.00672	2.2
76.01890	1.0
76.02241	10.3
76.04008	3.7
79.05496	29.2
81.03415	1.9
81.07062	28.4
83.04985	2.5
83.08244	0.8
83.08627	6.7
84.04512	1.7
84.08127	1.3
85.02909	4.0
85.04034	1.3
85.06553	1.6
86.09712	1.3
86.99055	7.1
87.04463	1.2
88.02210	3.2
89.06042	1.8
91.05491	18.8
91.36921	0.9
93.07053	40.4
95.04963	3.5
95.08608	19.2
97.02911	1.9
97.06548	2.7
97.10163	3.4
103.05425	1.1
105.07041	15.2
105.53414	0.9
107.04956	2.1
107.08604	33.6
109.06533	3.1
109.08984	1.0
109.10164	9.6
111.02689	1.1
111.08101	1.5
112.11236	1.0
113.06027	0.9
116.01685	31.9
117.07005	6.0
119.08599	12.0
121.06489	2.2
121.10150	16.3
123.08063	2.3
123.11742	2.5
125.09644	2.9
129.07031	2.1
129.10190	1.1
130.04977	2.8
131.08575	7.3
133.10139	10.1
135.08017	1.2
135.11697	20.9
135.25412	0.8
137.04213	1.4
143.08580	3.1
144.01161	12.6
145.10127	6.9
147.08080	1.4
147.11702	10.5
149.09624	1.4
149.13263	14.8
155.08522	1.2
157.10156	2.4
159.11739	5.0
161.09677	2.1
161.13307	5.7
162.02214	51.7
163.11214	1.8
163.14821	3.7
165.12598	0.9
167.10628	1.1
171.11714	3.6
173.13341	4.5
175.14879	1.2
177.12723	1.8
179.04848	9.3
184.07251	1.0
185.13292	2.5
189.11212	1.8
195.13837	1.6
199.14798	1.7
207.13785	2.5
213.16351	1.1
221.15443	2.0
224.16478	1.2
235.16924	2.2
241.19489	4.2
257.18948	1.0
259.20599	10.0
275.20108	5.9
277.21637	100.0
278.22028	1.9
291.17810	2.7
293.18060	1.3
293.21078	5.8
295.22772	1.6
309.18863	5.3
317.75336	1.0
334.22015	2.9
352.23114	3.0
362.21466	1.4
420.21857	1.4
438.23169	3.9
455.25894	11.2
456.24255	1.1
473.26761	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	473.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77314	1.2
57.03436	1.4
61.02954	1.2
64.29296	1.3
69.03432	3.2
70.06603	15.2
70.28093	2.2
70.28492	3.1
72.08160	11.2
73.02925	1.5
81.03445	2.1
84.04498	4.5
84.08163	7.2
85.02922	8.8
86.09715	10.5
94.06564	1.5
97.02917	3.2
98.06051	1.5
99.23779	1.4
103.05463	1.3
118.06551	11.2
129.07030	2.6
129.10226	3.6
130.06538	100.0
132.08112	4.1
136.07570	4.2
141.10289	1.4
144.08099	38.6
156.08093	7.3
160.07585	2.2
172.07587	35.2
174.09167	19.3
190.08646	67.8
213.12407	2.2
233.12897	1.8
473.24561	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	472.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.4
56.05032	0.7
56.12026	0.3
57.05828	0.4
64.21672	0.3
67.05502	0.4
69.03439	0.3
69.07073	4.4
70.06596	6.3
70.62170	0.8
70.62533	0.3
71.05011	0.4
72.08160	14.3
73.08492	0.4
74.06093	0.4
74.63129	0.3
79.05467	0.3
84.04523	0.9
84.08151	3.8
85.02896	0.5
86.09710	100.0
87.05586	0.6
87.10051	0.9
100.11249	0.3
102.05550	0.5
105.07032	0.3
110.07198	1.0
112.08709	0.3
112.11190	0.3
116.07121	0.8
119.04926	0.3
120.08115	1.4
121.68255	0.3
129.10257	1.9
133.06088	0.9
136.07625	0.7
143.11812	0.4
147.04460	0.4
155.11845	0.4
157.13370	10.7
162.09157	0.4
163.11127	0.3
175.10785	4.8
175.12138	0.5
183.11255	0.3
185.12869	16.0
185.16441	4.5
199.18134	1.7
213.15990	5.5
227.17598	1.6
229.11855	0.5
246.14464	1.7
253.19119	3.6
284.19662	1.4
288.19205	2.4
298.21271	12.8
310.23813	0.5
340.92957	0.3
342.87976	0.3
369.28671	2.5
397.28015	2.4
428.26456	0.3
472.29614	0.6
472.36023	0.4
481.87347	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	3.9
55.05514	11.8
65.68484	3.5
67.05500	16.6
69.03444	19.1
69.07056	6.7
70.06551	4.5
70.57478	4.0
71.50571	7.4
79.05488	17.3
81.07069	34.8
82.76059	4.0
85.06536	5.6
86.09724	5.1
91.04543	3.7
91.05481	16.6
93.07069	18.8
95.08601	24.8
97.06575	6.8
105.06992	20.2
107.08614	24.3
109.06512	4.4
109.10159	19.9
113.09613	7.4
117.07005	7.6
119.08575	13.6
121.06498	8.4
121.10142	15.4
123.11706	4.4
127.82142	4.4
128.06216	4.5
131.08585	6.6
133.10135	8.9
135.08058	11.7
135.11687	10.5
137.09630	6.4
143.08557	11.2
145.10144	12.3
147.08043	6.2
147.11642	9.3
149.13261	14.8
155.08559	7.3
155.10631	4.9
155.11977	3.6
159.11713	6.3
161.13232	7.6
163.14830	6.8
167.08630	5.0
169.10132	7.1
171.08055	100.0
173.13165	4.6
175.11183	5.8
176.75899	4.2
179.08591	5.4
183.08084	7.1
183.11661	5.3
185.09608	4.6
193.10277	5.1
195.07983	4.6
195.11618	8.3
196.08766	4.4
197.09651	19.2
200.13852	4.2
205.10173	6.6
209.09566	6.3
211.11249	19.9
223.11256	19.7
225.12714	5.9
235.11224	7.7
236.12056	4.6
237.12663	6.0
239.14255	9.7
247.14844	7.3
251.14311	10.7
261.12549	3.9
263.14255	15.3
265.15912	90.9
266.16425	4.1
277.16022	5.2
290.17151	4.6
291.17465	23.9
299.20743	5.2
305.19080	4.8
355.93167	4.0
383.23758	8.4
401.24570	22.5
419.25919	19.3
456.58932	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	472.2546
Annotation	Glucolanomycin
Peak:m/z	Relative Intensity
53.03952	1.5
55.01881	1.1
55.05510	2.9
56.05030	0.9
56.85171	1.0
57.03428	3.4
59.05016	1.7
61.02917	3.8
66.37527	1.0
66.45179	0.9
69.03082	1.4
69.03437	16.6
70.06595	10.1
71.04992	2.1
71.38420	1.3
71.38795	1.4
72.08153	4.9
73.02931	2.8
73.21170	0.9
79.05481	1.6
81.03426	4.4
81.07045	2.1
83.04967	1.4
84.04504	1.2
84.08139	3.7
85.02909	21.5
86.06059	4.1
86.09715	8.3
87.04473	16.1
91.05479	3.0
91.30050	1.0
93.07050	3.5
95.08664	1.0
96.04472	1.1
97.02894	8.8
97.06522	1.2
99.04440	1.7
104.07124	4.8
105.07023	4.0
107.08600	2.5
109.02891	3.9
117.07021	1.2
119.08586	11.0
120.08083	2.1
121.10165	5.3
122.09679	1.5
123.08059	2.6
127.03925	4.1
129.10226	2.4
131.08601	1.2
133.10149	9.1
135.08070	9.0
135.11670	4.6
136.07574	1.8
136.11183	2.1
137.09615	11.2
145.05070	1.3
145.10115	1.5
147.08063	4.2
147.11707	1.7
149.09633	21.2
150.09155	4.0
151.07510	4.7
151.09937	3.6
151.37427	1.1
152.10699	7.7
153.09192	1.5
156.09322	1.1
159.08124	1.6
161.09612	1.1
161.13274	11.7
162.09157	3.4
163.09904	1.9
163.11174	9.4
164.10727	63.8
165.09140	6.9
165.11324	2.2
166.08884	1.2
166.12285	1.5
171.11668	2.2
173.09636	2.6
174.09099	1.1
174.10454	5.2
176.10712	7.2
178.15854	1.3
188.10690	1.1
189.12779	24.7
190.12181	6.7
190.90390	0.9
191.12967	1.4
201.12654	1.1
204.13884	4.6
205.14624	16.5
206.15408	13.1
207.13834	22.6
207.15755	1.6
218.11707	1.6
219.12555	6.7
220.13341	15.4
223.15736	3.4
224.16513	2.0
227.05824	1.1
229.15417	1.5
232.13333	14.7
236.12852	2.6
237.13623	19.2
238.14424	5.5
246.18617	2.4
248.12883	1.3
250.14410	11.4
264.19662	1.9
274.18008	15.2
277.16791	1.9
292.19116	28.9
310.20135	95.8
311.20657	2.6
436.23447	1.4
454.24094	1.5
472.25436	100.0
473.25818	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	472.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.6
55.05519	1.0
56.05013	0.6
58.04208	1.0
59.04986	1.8
60.04534	4.0
61.02926	0.9
67.05530	0.5
69.03429	2.7
70.06596	3.4
71.04983	0.9
71.09223	1.0
72.08167	2.5
73.02927	3.1
79.05479	0.8
80.05495	1.1
81.03419	1.3
84.04527	0.8
84.08136	2.2
85.02911	5.2
85.06549	1.1
86.06053	0.6
86.09711	3.4
87.04469	2.6
89.06039	11.5
91.05483	1.2
94.54134	2.7
97.02872	1.8
100.11250	1.6
102.06768	1.0
105.07040	1.0
109.02914	0.7
111.54139	0.6
112.11234	0.5
113.05984	1.0
117.54361	1.3
119.08565	0.9
120.08115	0.9
127.03918	0.8
129.09145	0.6
129.10252	1.2
133.08621	5.3
136.07648	0.6
139.37663	0.5
165.07060	2.8
177.11279	2.0
179.08595	3.4
183.58282	0.5
189.06985	1.4
190.07773	5.0
191.08572	42.9
192.08960	0.6
193.06544	1.6
193.10417	0.5
205.10072	0.8
207.08060	6.5
208.08832	2.1
208.11227	2.7
217.08955	2.1
218.07475	1.2
218.09650	18.4
219.08109	52.3
219.10374	8.8
220.08765	3.2
229.07596	1.1
234.09119	4.5
235.09792	1.1
236.10707	100.0
237.11017	2.5
251.10701	14.7
268.13184	0.8
275.10724	0.6
278.11789	58.1
279.12064	1.2
283.56665	0.5
296.12863	3.5
310.14389	20.7
327.34802	0.5
455.27991	0.6
472.19617	1.4
472.35535	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	472.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
56.05037	1.0
56.69025	0.9
57.98807	0.8
58.99591	19.6
69.93207	4.2
70.06573	2.4
71.97952	0.8
76.02232	100.0
76.03992	3.2
83.06108	1.5
84.04507	20.6
84.08148	0.9
86.99072	4.7
88.02187	1.7
95.04969	21.0
103.05533	1.0
114.03721	1.3
116.00902	1.5
116.01685	25.1
123.04436	89.0
124.04762	1.4
127.06754	0.8
130.05014	10.8
142.03238	10.3
144.01173	12.6
147.04430	1.0
162.02216	47.0
165.05493	20.9
170.02774	4.4
179.04869	96.8
180.05203	1.2
187.05363	3.1
215.04889	2.6
233.05919	20.1
233.08102	1.7
245.05907	2.7
290.08124	1.4
291.06564	2.5
300.58347	0.8
308.09119	51.4
309.09418	1.5
397.10324	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65065	0.3
54.87186	0.3
55.05511	0.5
56.05044	0.8
63.35423	0.3
68.05028	0.7
69.07066	1.8
69.84627	1.9
70.06596	100.0
71.06931	0.7
72.08157	1.8
72.70833	0.3
84.04513	6.8
84.08145	2.2
85.02916	0.5
85.06551	1.1
86.09711	17.7
91.05495	0.6
94.07133	0.3
95.23548	0.3
100.11212	0.4
102.05534	3.7
107.29836	0.3
110.07169	0.7
116.07108	1.0
120.08124	1.3
129.06607	2.3
129.10274	1.2
130.05003	0.7
132.10182	0.3
135.62814	0.3
152.10716	0.7
170.11746	1.9
183.14958	1.2
191.14363	0.6
197.12770	1.6
215.13919	7.9
225.12280	0.8
229.15489	70.3
230.15799	1.3
243.13367	1.9
309.20752	0.4
454.31317	0.3
471.20297	0.6
487.48227	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02347	0.7
53.03945	1.4
55.01845	0.9
55.05504	3.4
65.03617	1.3
65.03947	20.9
67.05509	100.0
68.05825	1.4
69.03442	6.9
69.07070	2.2
71.15418	1.3
71.15756	1.4
79.05495	8.5
81.07073	10.6
83.04946	1.1
85.02927	0.8
88.21276	0.7
91.05495	10.3
93.07048	12.9
95.04976	37.5
95.08614	9.9
97.06526	2.9
105.07045	13.4
107.04953	1.8
107.08592	13.5
109.06483	4.2
109.10152	5.3
111.08089	2.0
115.05455	1.5
117.07035	3.1
119.08598	7.2
121.06526	7.9
121.10169	4.2
123.04410	4.0
123.08067	1.9
123.11729	2.6
125.06025	1.0
125.09646	2.1
126.41950	0.8
127.07577	0.9
128.06215	3.8
129.06990	3.6
130.80721	0.8
131.08568	7.1
133.06512	1.0
133.10114	4.7
135.04453	1.1
135.08066	4.7
135.11720	1.7
141.07021	2.7
141.09123	1.1
142.07777	1.3
143.08580	9.1
144.05695	0.9
145.06468	2.4
145.10146	6.7
147.08028	3.1
147.11710	3.3
149.13197	0.9
151.07512	1.1
152.06277	1.1
153.07042	1.5
153.09123	1.0
154.07661	0.9
155.08588	7.4
156.09244	1.2
157.10133	4.8
159.08049	5.7
159.11690	3.2
161.09616	3.4
161.13239	2.0
165.07021	2.9
166.07794	1.3
167.08603	3.0
168.09331	1.2
169.10143	4.5
171.08066	29.5
171.09554	1.5
171.11708	3.5
173.09625	4.2
173.13284	2.0
175.11171	1.4
178.07787	2.4
179.08536	4.4
180.09332	2.3
181.10149	11.5
181.68233	0.8
182.07323	1.4
182.10826	1.4
183.08060	3.9
183.11711	3.1
185.09621	3.9
185.13284	4.5
187.07536	2.1
187.11156	0.8
189.09123	1.2
189.12766	1.9
190.07835	1.2
191.08546	2.3
192.09256	2.0
193.10191	5.7
194.07181	1.5
194.10913	2.3
195.08025	2.6
195.11717	7.5
196.08820	1.4
196.12431	5.7
197.09625	10.8
197.13303	2.9
199.11150	3.1
199.14841	1.0
201.12726	0.8
203.08542	1.4
204.09422	1.2
205.10132	5.1
206.10890	1.7
207.08060	2.7
207.11729	4.0
208.08908	3.8
209.09689	7.5
209.13281	2.4
210.10434	1.5
211.11208	8.2
211.14787	1.4
213.12791	5.0
214.13451	1.1
215.08580	1.9
217.10118	2.0
218.10889	0.8
219.08095	1.5
219.11717	1.9
220.12521	1.4
221.09666	11.1
221.13216	3.9
222.10277	1.8
223.11226	7.3
223.14784	1.4
225.12784	2.6
230.10907	2.9
231.11609	1.0
232.12558	1.0
233.09613	3.0
233.13177	0.9
234.10362	2.1
235.11209	4.6
235.14751	4.9
237.12758	4.6
237.16461	1.8
239.14296	2.2
244.12491	1.1
245.13313	4.1
246.10411	1.3
247.11246	2.3
247.14748	4.7
248.12019	5.1
249.12730	5.4
251.14359	1.4
253.15933	1.9
259.14767	1.5
261.12845	4.0
262.13623	1.1
263.14334	41.7
264.14734	1.3
265.15878	12.7
267.17487	0.8
272.12170	1.2
273.16330	1.0
275.14224	1.6
277.15759	1.4
281.15384	18.4
283.16913	3.6
287.14383	1.0
287.17883	1.2
289.15756	4.0
291.17395	2.8
293.18753	1.1
295.20520	0.8
299.13229	1.3
299.16467	23.4
301.17920	1.1
305.19009	3.3
371.23688	3.2
381.22141	1.5
389.24570	1.2
399.23199	3.7
417.24417	7.1
435.25101	4.0
453.26486	1.1
471.27176	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	1.4
55.01869	1.8
55.05511	5.7
57.03456	1.4
57.07073	1.2
59.04997	1.1
65.00683	0.8
65.03913	1.1
67.05169	1.3
67.05505	12.3
69.03431	12.0
69.07052	3.1
69.52829	5.0
79.05495	10.6
81.04965	0.9
81.07051	14.5
83.04974	2.9
83.08656	1.1
85.06590	1.5
91.05488	12.6
93.07047	9.5
95.04958	2.7
95.08616	11.0
97.06534	4.7
103.05450	1.6
105.07037	16.5
107.04959	2.3
107.08598	16.6
109.06523	7.9
109.10152	14.7
111.04457	3.2
111.08092	6.8
115.05431	3.0
116.06294	1.3
117.07049	3.8
119.08583	10.0
121.06499	11.3
121.10149	8.9
122.07290	1.1
123.08091	5.8
123.11710	5.8
125.05985	5.2
125.09650	6.8
127.07563	1.6
128.06258	5.6
129.07010	4.0
130.07774	1.0
131.08575	10.3
133.06491	5.4
133.10130	8.0
133.67950	0.8
135.04436	1.5
135.08051	5.5
135.11671	2.9
137.09612	10.3
139.11156	1.5
141.06972	3.4
142.07773	2.8
143.08571	9.6
145.06493	3.9
145.10132	7.1
147.08038	3.0
147.11676	4.0
149.09604	5.5
149.13281	2.3
151.07576	1.2
151.11212	1.2
153.06993	3.7
153.09109	3.1
154.07826	2.2
155.06047	1.1
155.08574	7.7
155.10692	3.7
156.09384	2.5
157.10097	6.4
159.08087	6.1
159.11716	5.5
160.08829	2.1
161.09613	8.0
161.13222	1.5
163.11160	2.5
165.07033	6.1
166.07787	3.7
166.43414	1.1
167.08543	5.2
168.09351	2.0
169.08687	1.9
169.10130	6.7
170.10876	1.3
171.08066	27.3
171.11694	10.0
172.08713	1.2
173.09615	3.4
173.13235	2.0
175.11147	8.0
177.12759	8.1
178.07727	4.6
179.08582	8.9
180.09309	4.4
181.06506	1.6
181.10123	11.6
182.07213	2.0
182.10876	1.2
183.08098	3.4
183.11699	3.2
185.09641	4.3
185.13245	5.1
187.07576	2.0
187.11194	1.3
187.14743	1.2
189.06897	1.0
189.12758	2.7
190.07794	1.5
191.08614	2.2
192.09335	4.1
193.10149	10.0
193.11926	1.4
194.07368	1.4
194.10849	7.8
195.08049	6.4
195.11734	8.3
196.08806	3.7
196.12471	3.9
197.09636	12.9
197.13310	4.0
199.11221	4.0
201.12834	1.3
202.07875	2.6
203.08553	2.6
203.14273	1.2
204.09348	2.8
205.10164	4.1
206.10822	2.5
207.08064	3.5
207.11697	8.6
208.08794	10.3
209.09578	7.5
209.13271	3.4
210.10431	2.5
211.11172	7.3
211.14857	1.8
213.12769	4.1
214.13370	1.1
215.08540	4.0
215.10466	1.0
216.09312	3.5
217.10156	2.7
218.10977	1.9
219.08144	3.3
219.11658	6.0
220.08868	3.0
220.12482	2.2
221.09624	12.9
221.13210	4.0
222.10416	7.1
222.14012	2.1
223.11151	8.9
223.14760	2.1
225.12761	3.8
227.14252	1.5
229.10104	2.5
230.10921	7.6
231.08127	1.8
231.11755	4.7
232.08815	2.5
232.12466	1.3
233.09622	7.9
233.13263	2.8
234.10396	8.1
235.11191	21.8
235.14796	11.8
236.11902	1.6
237.12793	9.8
237.16432	1.3
239.14330	3.8
241.10165	1.3
241.12364	1.2
243.11812	2.5
245.09569	3.7
245.13298	9.4
246.10355	5.1
246.14116	1.4
247.11168	6.1
247.14792	2.1
248.11949	13.4
249.12711	9.2
251.14285	3.3
253.12294	3.1
253.15761	1.3
256.12393	1.4
259.11163	4.1
259.14917	1.1
260.11862	3.3
261.12781	10.8
261.16434	2.2
262.13467	2.1
263.14316	100.0
264.14780	3.1
265.15863	3.3
267.17355	1.4
271.14835	2.7
273.12677	1.2
274.13440	6.7
275.14319	3.9
277.15768	2.1
279.13800	1.5
281.15393	11.2
287.14365	3.9
289.15878	32.2
289.19070	2.1
291.17545	3.8
293.15411	1.1
299.16479	2.9
301.15854	2.4
303.17511	4.0
304.18158	2.2
305.15265	2.6
305.18579	1.1
307.16956	4.3
325.17981	4.0
329.15494	1.1
349.21548	1.2
371.23685	2.7
381.22052	2.8
399.23160	10.0
417.24173	8.0
430.18936	1.4
435.25137	2.6
453.26358	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	1.0
55.05516	15.0
57.03451	7.2
57.07065	3.4
67.05508	31.4
69.07068	16.3
71.08640	1.3
79.05499	9.4
81.06591	1.9
81.07058	30.2
83.04955	1.6
83.08624	8.7
89.06019	2.2
91.01566	1.1
91.05501	6.7
93.07049	8.6
95.08611	21.1
95.09197	0.9
96.08990	1.1
97.06528	1.6
97.10166	4.9
98.21517	2.3
101.15369	1.1
103.03931	3.3
105.07034	5.2
107.08581	4.8
109.10168	8.7
111.08060	1.3
111.11677	1.2
119.08571	5.9
121.10157	3.8
123.11719	2.0
131.08586	1.1
133.08604	1.1
133.10164	4.7
134.98192	100.0
135.11766	1.7
137.13217	1.3
145.10138	1.8
147.11653	1.5
149.13269	0.9
157.10141	1.1
159.11646	1.3
161.13181	1.4
169.10194	1.1
173.13278	1.4
175.14833	1.0
176.00824	2.4
194.11772	1.4
209.01881	2.8
229.03418	1.2
255.42010	1.2
331.22144	0.9
337.27380	41.9
359.25620	13.6
377.26416	1.3
377.73389	1.0
470.39713	2.4
471.24863	65.4
471.34937	2.7
471.39850	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	470.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	9.1
55.65033	2.5
57.03436	5.4
60.08146	2.2
65.03932	3.2
66.56131	2.5
67.05225	2.3
67.05505	23.5
69.03419	6.5
69.07066	6.8
69.57680	12.2
72.08146	4.6
79.05490	7.9
81.07053	23.7
83.08611	5.0
86.00211	2.8
86.09694	8.5
88.34489	2.6
90.98883	2.8
91.05477	10.0
93.07046	19.0
95.04987	2.9
95.08622	26.7
105.07029	16.0
107.04951	4.2
107.08612	20.0
109.06509	7.6
109.09473	4.3
109.10164	56.3
111.04510	2.6
111.08071	6.3
113.06103	2.7
117.07014	4.9
119.08596	14.6
121.06506	8.3
121.10153	18.0
123.08083	5.4
123.11700	9.2
124.99966	5.0
125.09633	8.3
128.06209	8.1
129.07008	3.7
131.08560	7.2
133.10124	10.2
134.98215	2.7
135.08066	6.1
135.11676	7.7
137.09645	16.6
139.07564	2.7
141.06981	3.4
142.07759	4.4
143.08591	20.3
145.10121	12.9
147.08051	7.9
147.11697	4.8
149.09608	2.6
149.13190	2.6
151.11192	5.4
155.08606	15.8
155.10649	28.1
157.10124	10.4
159.08043	5.7
159.11670	8.5
161.09601	3.0
161.13264	5.6
165.07028	2.8
167.08498	2.5
169.10150	7.9
171.08054	100.0
171.11694	6.0
173.09494	3.5
173.13268	4.8
175.11200	3.6
179.08522	9.9
181.10097	9.9
183.08000	6.5
183.11667	8.3
184.07356	23.1
185.09627	9.2
185.13190	4.8
192.09328	4.0
193.10066	8.2
195.08145	3.2
195.11656	7.6
196.08858	5.1
197.09666	27.3
197.13232	9.4
199.11191	4.5
199.14836	13.8
201.16354	3.0
205.10173	5.0
207.11673	9.4
209.09615	4.6
209.13272	3.7
211.11218	16.1
213.12762	4.0
221.09563	13.5
221.13095	2.6
222.10457	3.0
223.11246	13.4
225.12721	14.0
235.11172	4.8
237.12694	11.1
239.10857	2.9
239.14276	3.2
245.13152	4.3
249.16408	4.7
251.14369	5.4
259.14828	2.4
263.14334	19.2
265.15897	31.5
267.17426	33.3
277.15823	3.6
279.17429	4.9
281.15375	2.8
283.16916	4.8
285.18533	6.1
291.17377	8.0
293.18991	8.5
305.99658	2.5
309.18417	3.2
319.20544	5.2
375.26718	13.1
377.24789	4.4
385.25262	9.2
393.27750	3.6
403.26382	34.8
421.27478	24.0
439.28445	84.4
470.23035	5.3
470.32938	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	470.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	7.6
57.03417	3.3
57.07066	5.7
67.05512	20.3
69.03424	13.1
69.07095	6.5
71.50916	2.5
72.08163	4.9
78.10155	2.8
79.05487	10.9
81.07057	25.5
83.04984	3.3
83.08613	4.5
85.06543	3.6
86.09712	9.4
91.05477	11.1
93.07058	15.5
95.04967	7.9
95.08603	26.8
97.06517	3.8
105.07043	8.5
107.08612	21.8
109.06525	9.5
109.10169	57.2
111.08073	8.2
113.06075	4.0
117.07010	4.0
119.08606	14.7
121.06489	5.5
121.10165	12.8
123.08078	4.4
123.11723	11.8
124.99984	3.8
125.09638	7.2
128.06204	6.8
129.07027	4.5
131.08577	10.0
133.10118	10.3
134.98167	4.9
135.08084	5.9
135.11703	8.9
137.09616	19.0
139.07544	5.7
141.07034	4.5
143.08591	19.8
145.06496	5.0
145.10130	12.5
147.08107	3.5
147.11674	6.9
149.13292	3.7
151.11198	3.6
155.08643	13.8
155.10666	24.6
157.10130	7.6
159.08076	6.1
159.11708	12.0
159.13686	3.0
166.07790	3.8
169.10127	9.6
171.08066	100.0
171.11624	5.2
173.09645	5.4
175.14825	4.0
179.08530	6.0
181.10136	9.2
183.08080	3.8
183.11658	6.8
184.07378	26.4
185.09746	7.0
185.13225	4.5
193.10112	5.0
195.08092	4.5
195.11700	5.7
196.08853	4.7
197.09637	21.8
197.13298	9.5
199.11172	3.5
199.14906	9.0
205.10159	8.0
207.11755	8.5
209.09691	10.5
209.13376	4.9
210.10333	5.8
211.11130	21.1
213.12929	3.1
219.11670	4.7
221.09579	10.6
221.13228	3.6
223.11275	15.8
225.12776	20.5
235.11169	3.2
237.12755	16.0
239.14398	4.5
245.13242	3.8
249.16479	3.6
250.08182	3.2
251.14290	5.9
263.14392	16.8
265.15875	25.2
266.16476	4.1
267.17514	32.2
279.17554	7.1
283.17026	5.7
285.18475	4.1
291.17548	7.6
293.18964	8.4
375.26672	12.9
377.24866	6.1
385.25211	9.4
403.26318	32.7
416.95322	3.6
421.27380	20.3
439.28479	82.7
470.23199	3.4
470.32489	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	470.2306
Annotation	Nefazodone
Peak:m/z	Relative Intensity
55.05508	2.4
56.05042	3.2
58.06599	2.5
60.04525	0.7
60.76639	0.5
63.03539	0.6
67.05512	0.6
69.07056	0.7
70.06600	21.6
71.05000	8.6
71.49789	0.9
72.05331	1.2
72.08163	21.0
74.06086	0.7
79.05472	0.6
82.06556	0.9
83.05010	0.7
83.06103	1.2
83.08616	1.0
84.04519	3.2
84.08156	12.7
85.02882	0.7
86.06087	0.7
86.09716	7.9
88.03996	0.9
91.05484	1.9
93.06997	0.6
95.06094	0.8
95.19506	0.5
97.02911	0.6
98.06079	2.6
98.09703	1.5
100.07626	2.2
100.11269	7.7
101.07149	4.0
102.05581	1.0
107.04972	3.0
110.07157	3.5
110.09711	2.1
111.04449	1.1
112.07599	0.7
112.08737	1.0
112.11244	2.6
113.07144	10.2
113.08384	1.0
115.08704	0.8
117.03397	1.4
119.04922	0.7
120.08115	0.9
123.04430	6.1
125.05990	0.8
127.08681	1.0
129.10255	4.1
129.95847	0.6
131.04945	0.7
133.02831	0.6
134.03627	1.6
134.06064	0.6
135.04422	8.0
136.05188	1.7
136.07582	1.2
137.05917	0.9
140.07034	0.5
142.08591	1.0
144.06607	0.8
145.02881	2.6
147.04457	4.7
147.07726	0.6
148.04788	0.8
155.11806	27.2
156.12230	0.6
161.09227	1.4
162.03169	2.1
163.03929	26.3
164.04301	0.6
165.05542	1.6
172.14525	3.1
173.09299	0.7
182.15422	1.6
188.07317	0.6
190.08676	0.8
209.16473	1.6
210.14937	1.6
218.08212	4.8
219.08908	10.4
220.09718	21.5
221.06184	0.5
224.00117	1.0
225.00589	0.8
225.99803	2.1
229.15512	1.0
234.11409	0.5
236.13042	0.6
251.95866	0.6
255.06474	1.3
257.08224	1.7
258.14575	2.0
283.06171	1.1
284.70685	0.5
291.17072	2.0
294.04388	1.2
295.04800	0.6
296.03973	4.2
308.19669	1.2
370.16605	1.0
372.82318	0.6
381.14590	1.1
452.21423	1.2
452.28638	0.6
453.20306	1.7
461.21503	1.0
469.72183	1.7
470.09790	9.9
470.22934	100.0
470.36798	10.5
471.23151	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	469.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19872	2.4
50.99173	2.6
55.05518	96.1
57.07078	8.3
66.78653	2.4
67.05505	19.9
69.07078	22.1
71.08643	3.0
71.51294	2.5
71.51682	3.1
72.22028	2.4
79.05498	7.4
81.07067	25.2
83.08624	100.0
89.06029	8.4
91.05472	6.1
93.07046	9.4
95.08597	18.2
96.30901	2.4
97.06508	3.2
97.10189	19.2
105.07044	9.5
106.15067	2.4
107.08601	5.5
109.10167	12.6
111.11713	9.9
119.08571	9.8
121.10148	11.6
121.84602	2.2
123.11728	3.1
125.13235	2.7
133.08577	2.9
133.10146	6.9
135.11713	9.4
137.13275	3.6
139.11220	2.9
139.14870	3.0
147.11688	8.9
149.13365	2.7
151.14912	2.5
153.12825	2.9
161.13263	5.6
165.12759	2.6
179.14337	4.0
217.19562	19.5
230.24864	7.9
231.25137	3.5
235.20546	25.2
253.21660	20.0
271.22696	5.5
283.17545	3.2
284.18039	2.9
355.42566	3.0
468.96414	3.4
469.38281	3.3
469.48105	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	469.3322
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03936	2.6
55.05514	17.1
57.07068	3.4
65.03930	2.7
65.11707	1.6
67.05190	2.0
67.05514	26.5
68.62202	1.7
69.07079	16.2
69.43494	15.0
70.06573	4.6
73.22562	2.3
73.37129	1.7
74.64127	1.9
75.59767	1.6
77.03939	2.4
79.05500	22.3
81.07067	55.8
83.04978	19.1
83.08632	10.8
84.08128	3.1
86.09713	4.1
91.04986	2.6
91.05495	34.3
93.06487	3.0
93.07052	53.3
95.04958	5.6
95.08616	69.7
97.06515	5.2
97.10145	4.9
98.21469	4.2
99.08054	2.0
103.05468	2.8
105.07039	88.9
107.08606	75.4
109.06519	8.2
109.10165	43.6
111.08092	5.5
115.05440	3.2
117.07034	15.2
119.08592	100.0
121.10152	62.3
123.08055	8.4
123.11720	22.6
125.09631	5.5
128.06245	2.2
129.06995	7.8
129.10280	2.7
130.07819	2.0
131.08586	44.4
133.10144	61.3
135.07996	2.0
135.11703	29.3
137.09605	2.7
137.13229	3.0
139.07396	1.9
141.06964	2.0
142.07796	4.3
143.08582	21.8
144.09328	5.2
145.10146	66.1
146.10840	3.0
147.11711	39.4
149.09579	4.7
149.13292	9.3
151.11174	4.9
155.08556	7.9
156.09312	4.7
157.10149	24.1
158.10924	3.7
159.11705	60.6
161.09680	2.3
161.13284	31.8
163.07536	3.0
163.11179	3.5
163.14830	17.1
165.12737	6.4
169.10207	13.8
170.10918	3.7
171.11726	23.7
172.12460	3.6
173.13295	40.6
175.14835	41.2
177.12723	4.5
177.16388	8.9
179.14409	5.3
182.10895	2.8
183.11749	7.1
184.12433	2.4
185.13257	22.7
187.14842	43.5
189.12801	4.9
189.16406	27.6
191.14365	18.2
191.17920	6.8
193.15851	9.7
195.11633	3.2
197.13228	10.7
199.14853	31.4
201.16402	45.6
203.14313	10.3
203.17972	6.9
205.15901	39.8
207.17496	2.4
209.13348	3.4
211.14874	19.1
213.16418	22.5
215.07074	3.9
215.14276	3.8
215.17960	10.5
217.15947	19.5
219.13937	2.3
219.17464	33.3
221.15457	3.7
223.14877	3.0
225.16490	4.0
227.17950	8.4
229.15923	21.1
229.19362	4.2
230.16588	2.6
231.17494	19.8
231.20967	2.3
233.15446	3.0
233.19086	9.2
237.16376	2.6
239.17963	5.3
241.19479	6.0
243.17519	2.6
243.21068	3.6
245.15292	3.4
245.19019	4.8
251.16330	4.1
253.19490	5.1
255.21045	2.8
257.18997	4.9
259.20569	5.0
265.19653	9.6
267.21149	4.6
277.18045	6.7
279.20950	2.4
281.27228	2.0
283.20575	11.1
297.22372	2.6
325.47537	2.4
375.30286	2.2
387.30679	10.1
393.31616	9.5
395.33170	6.3
405.31552	34.8
407.33096	7.0
423.32660	59.0
424.33221	2.4
425.34088	3.5
439.31992	6.5
451.32120	17.9
469.33179	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3316
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03943	5.5
55.01873	4.2
55.05511	19.8
56.05030	2.9
57.03429	4.1
57.07096	4.1
59.04999	4.2
61.02898	2.5
64.24948	2.4
65.03943	4.2
67.05506	27.4
69.03420	8.3
69.07078	29.4
70.06600	23.5
71.05000	3.6
71.50027	3.0
72.08151	13.5
73.73970	2.3
77.03918	3.1
79.05510	24.6
81.03398	4.3
81.06595	3.6
81.07067	64.0
83.04980	14.1
83.08612	9.3
84.04517	3.5
84.08160	12.8
85.02903	8.4
85.06544	3.5
86.09726	14.5
87.04455	2.5
89.03903	2.8
89.06062	3.4
91.05479	34.9
93.07050	49.3
95.04968	10.6
95.08614	58.0
97.02916	2.8
97.06549	41.5
97.10159	7.8
98.97596	3.2
99.08059	3.5
100.62929	2.5
105.07044	69.0
107.08611	64.0
108.95834	2.5
109.06521	9.2
109.10165	37.0
110.07178	4.9
111.08031	6.7
112.11250	3.3
114.00442	2.4
117.07072	13.8
117.07808	2.8
119.08595	100.0
120.08111	5.0
120.08903	3.7
121.06496	3.4
121.10155	51.3
123.08080	8.7
123.11720	13.9
125.09641	12.0
129.07014	10.0
129.10254	4.5
131.08586	44.6
133.10143	50.9
135.04456	6.2
135.08035	4.6
135.11696	24.9
141.07011	3.4
142.07800	5.0
143.08578	17.7
144.09343	4.7
145.02882	5.3
145.06416	3.0
145.10141	66.6
147.04434	8.8
147.08049	3.9
147.11688	33.8
149.09621	5.1
149.13269	7.4
151.07445	3.2
151.11142	6.6
157.10136	28.0
158.10739	3.3
159.04396	3.0
159.10455	4.7
159.11719	62.0
161.02335	13.2
161.13258	27.8
163.03914	31.8
163.11118	4.5
163.14841	12.6
165.12849	3.4
169.10106	9.1
170.10901	2.7
171.11723	16.0
173.02351	23.8
173.13271	27.2
175.11327	3.7
175.14825	26.2
177.16403	10.5
179.14320	3.4
183.11739	7.5
184.07394	2.7
184.12541	4.0
185.13246	19.5
187.14822	38.7
189.16400	28.2
191.14307	12.7
191.18011	9.0
193.12209	2.7
193.15738	3.2
197.13242	7.6
199.14853	28.9
201.16411	52.8
203.14357	8.5
205.15898	24.7
207.17627	2.9
211.14856	8.3
213.16399	18.8
215.07018	26.7
215.14185	3.8
215.17914	9.6
217.15877	23.4
219.17445	43.1
219.19394	4.4
223.14864	2.9
225.16319	5.2
227.17934	4.4
229.15872	11.3
229.19579	3.3
231.17444	19.2
233.19069	8.3
239.18040	5.0
245.15413	3.9
251.16484	10.0
259.09668	34.4
259.20779	4.2
265.19504	6.0
271.20630	3.5
277.10776	40.4
277.18008	10.2
283.20587	5.1
291.19556	3.9
393.31467	6.3
405.31500	21.3
407.33084	4.0
423.32709	35.8
439.32144	5.3
451.32086	13.6
469.23358	6.0
469.26965	3.3
469.33191	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.3
53.99457	6.7
54.57897	6.1
55.05510	33.7
57.03436	12.8
59.04996	6.0
67.05505	36.7
69.03415	17.8
69.07074	34.0
69.97473	33.0
70.06591	16.7
71.04982	23.1
72.08141	15.8
74.42945	6.4
76.01558	7.2
79.05465	37.4
81.03409	13.3
81.07056	100.0
83.04978	7.8
83.08621	14.4
84.08176	9.3
85.02912	56.3
91.05466	22.2
93.07041	50.7
95.05028	7.3
95.08614	81.3
97.02890	16.0
97.10184	10.4
99.04436	8.1
105.07028	41.7
107.08604	64.8
108.08913	6.6
109.10161	64.4
115.01426	6.0
119.08632	32.3
121.10155	50.0
123.11677	25.4
125.09586	12.6
125.75739	7.3
127.03941	11.1
127.11207	38.9
129.06981	6.3
131.08540	14.3
133.10130	26.7
135.11710	44.4
137.13210	6.6
143.08548	9.2
143.10698	8.8
145.10101	21.8
146.10493	6.3
147.11667	25.7
149.13263	23.3
159.11693	14.9
161.13254	12.5
163.14804	22.6
173.13292	12.7
175.14830	6.4
189.16374	9.7
201.16373	14.4
203.17957	29.9
209.18925	7.4
215.17923	6.4
219.17480	7.8
271.24225	18.3
289.25247	27.2
299.84827	5.9
323.76721	6.8
469.30988	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	16.8
57.03441	8.7
57.07067	8.9
61.02916	10.3
67.05516	18.9
69.03413	26.4
69.07066	22.7
70.12856	32.7
70.97957	7.8
71.04977	23.6
79.05498	19.1
81.03420	11.4
81.07066	100.0
83.08620	9.5
85.02915	75.4
91.05476	14.3
93.07048	53.0
95.08649	58.2
97.02906	13.7
105.07026	37.2
107.08601	62.8
109.10165	66.5
119.08589	46.0
121.10174	45.4
123.11735	39.6
127.03915	13.5
127.11194	55.4
128.06763	8.2
131.08557	16.5
132.63469	7.9
133.10129	33.8
135.11732	42.0
137.09560	10.4
143.10664	26.6
145.10103	24.4
147.11702	31.0
147.37880	8.3
149.13245	34.0
159.11671	25.6
161.13272	28.1
163.14767	24.5
175.14784	10.6
177.16411	11.9
181.42793	8.5
187.14865	14.1
189.16406	21.4
191.17941	19.1
201.16368	22.2
203.17943	32.5
215.17899	8.2
217.19383	12.1
228.28035	7.9
229.19589	7.9
271.24127	14.5
289.25409	60.7
301.12823	9.1
322.18149	7.9
329.42303	8.3
381.52637	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	469.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.1
55.01857	10.3
55.05507	27.5
57.03431	14.6
59.04994	9.0
61.02919	8.5
67.05515	30.3
69.03419	22.8
69.07063	26.6
70.66961	18.3
71.05000	31.9
73.02942	6.6
75.17102	7.2
77.67913	5.5
79.05485	29.0
81.03410	15.5
81.07064	100.0
83.04984	9.7
83.08624	15.7
85.02906	59.5
89.06048	10.2
91.05470	25.4
93.07060	49.1
95.04961	12.6
95.08617	68.8
97.02875	15.4
97.10178	15.9
105.07045	46.4
107.08613	65.4
109.10164	72.6
111.04401	6.1
113.71408	5.9
117.07020	10.4
119.08605	51.7
121.06513	7.7
121.10162	40.9
123.08046	8.7
123.11707	26.2
125.09594	11.9
127.03888	17.7
127.11187	47.8
128.89648	6.0
131.08577	15.8
133.10130	28.3
135.08055	13.7
135.11707	23.7
143.08655	8.4
143.10695	17.6
145.04916	10.5
145.10144	29.5
147.11755	36.8
147.12752	9.0
149.13290	29.1
159.11705	17.1
161.13274	21.3
162.83368	5.9
162.84955	6.4
163.14822	21.7
166.78856	6.2
169.10153	7.2
169.98146	6.4
171.11638	7.7
173.13290	8.7
175.14786	7.4
183.11693	7.3
187.14751	13.0
191.17894	8.7
193.19713	8.3
199.15007	7.6
201.16354	10.9
203.17966	31.2
217.19490	9.7
238.18820	7.0
252.82457	7.5
271.24100	12.5
289.25253	22.7
353.46115	6.4
469.10602	11.5
469.29456	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.8
54.68428	3.5
55.05503	15.3
57.03449	7.4
57.07068	6.6
67.05509	20.9
69.03433	16.0
69.07066	17.5
69.34835	3.5
69.35487	19.3
71.04980	5.0
79.05507	27.7
81.07067	73.0
83.08627	7.7
91.05471	22.3
93.07053	30.7
95.04970	7.6
95.08626	43.8
97.10164	5.5
99.08096	4.3
103.05495	4.3
105.04480	4.8
105.07034	27.1
107.04956	5.4
107.08607	37.4
107.95842	4.2
109.06506	20.7
109.10185	24.5
111.08091	6.3
115.05443	4.7
117.07032	6.7
119.08593	13.0
121.06507	20.7
121.10165	32.6
123.00326	3.3
123.08089	12.5
123.11727	65.0
125.09621	14.6
128.06206	11.6
129.07001	7.3
131.08553	15.3
133.06491	3.9
133.10152	17.8
135.08064	9.9
135.11685	12.4
137.09624	8.9
137.13275	8.4
139.07533	13.6
139.11180	11.3
141.06947	6.7
143.08578	17.7
144.09309	4.5
145.06485	7.5
145.10135	13.3
147.08028	4.9
147.11691	12.7
149.13243	12.3
151.10135	3.6
151.11185	24.4
153.07091	5.8
153.09058	5.0
154.07848	4.9
155.08580	19.1
157.10127	8.7
159.08072	13.9
159.11713	7.8
161.09630	7.3
161.13258	7.8
163.11192	6.4
165.06975	11.3
165.09128	3.8
165.12737	10.8
167.08591	8.3
167.10617	4.2
169.10143	13.4
169.12227	25.7
171.08064	100.0
171.11662	5.4
173.09596	12.3
173.13197	3.8
175.11195	7.1
175.14760	4.7
177.12747	5.6
178.07803	6.3
179.08578	15.7
180.09341	7.7
181.10098	10.6
183.08025	8.5
183.11693	12.8
185.09633	8.5
185.13280	7.3
187.14853	4.2
191.08528	4.7
193.10164	15.3
194.07263	10.3
194.10922	19.7
195.08032	10.2
195.11732	14.1
196.08795	7.7
197.09656	28.4
197.13254	9.2
199.11104	5.8
205.10127	20.3
207.11688	9.3
208.08900	19.4
209.09610	14.6
209.13239	8.0
211.11223	24.3
213.12793	3.8
215.08754	5.6
217.10178	4.4
219.11722	4.5
221.09673	60.3
222.10367	6.4
222.14088	5.6
223.11229	47.3
223.14601	3.8
225.12784	10.6
231.11699	5.2
233.09761	4.0
233.13303	7.2
235.11180	15.6
235.14795	7.5
237.12762	20.3
239.10765	6.4
239.14212	7.6
245.13321	7.1
246.10487	19.1
247.11086	8.2
248.12154	7.4
249.12701	9.9
251.14288	5.6
259.11243	3.5
261.12790	71.0
262.13403	6.6
263.14331	54.3
265.15930	27.3
273.16092	5.3
275.14343	10.5
277.15945	8.7
279.13754	22.3
279.16934	3.4
281.15543	8.6
283.16898	8.1
289.15869	11.7
291.17468	23.1
297.14914	4.3
299.16382	7.2
303.17444	4.8
308.54626	3.7
309.18564	7.1
313.15738	5.9
315.17407	5.4
317.18967	11.8
387.26862	9.1
397.25327	8.0
415.26425	17.7
433.27420	14.9
451.28271	9.7
469.29456	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	469.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	14.3
55.01878	9.1
55.05518	31.3
57.03442	40.2
57.07117	4.2
61.02929	78.3
61.55003	4.0
67.05509	100.0
69.03432	56.5
69.07087	14.1
71.01352	8.0
71.05003	7.6
71.15387	10.4
71.52996	3.4
73.02925	44.9
79.05496	99.9
81.03435	25.9
81.07068	93.9
83.04995	14.0
83.08632	10.0
85.02909	84.0
85.06616	4.2
91.03959	48.1
91.05482	52.6
93.07054	97.8
95.04993	10.0
95.08612	71.7
97.02898	72.9
97.06535	8.2
97.10181	5.3
99.04478	13.3
99.08165	5.7
101.02362	25.0
103.03973	12.2
105.07036	41.8
107.08605	46.3
109.02879	16.2
109.06528	9.4
109.10191	33.1
111.04460	5.3
113.09663	4.2
115.03925	7.7
117.07009	22.1
118.24530	4.0
119.08587	35.5
121.10162	67.1
123.08053	7.7
123.11719	10.5
127.03912	26.5
129.05516	11.5
129.07028	7.9
131.08572	24.8
133.10144	29.1
135.08090	4.5
135.11711	35.1
137.09624	9.4
143.08556	8.8
145.04950	11.7
145.10112	23.1
147.11726	18.7
149.13310	15.1
151.11285	5.5
157.10138	5.8
159.11710	17.0
161.09624	5.5
161.13261	6.9
163.11203	7.3
169.10222	4.9
171.11707	5.8
173.13345	12.9
177.12828	4.5
185.13289	4.3
187.14709	5.2
203.17908	4.9
211.11032	4.8
215.18074	14.6
233.19052	11.0
262.32983	3.8
307.22690	78.8
451.27316	6.4
469.27972	20.6
483.41071	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	468.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22268	1.6
53.03949	8.0
55.05515	16.1
57.07085	2.4
65.03954	5.7
67.05511	42.7
69.03444	5.6
69.07072	19.2
70.06602	7.4
71.04999	28.5
71.08672	2.5
71.16130	1.5
71.50352	2.1
72.08170	6.3
73.43727	1.6
79.05499	38.5
81.03439	4.4
81.07066	100.0
82.07414	3.6
83.04991	4.0
83.08645	7.1
84.04507	1.9
84.08168	6.3
85.02921	8.0
91.05489	31.0
91.06017	2.3
92.05823	1.9
93.07051	76.4
94.07375	2.0
95.04979	4.3
95.08616	64.4
96.08144	3.1
97.02923	3.7
97.06525	1.8
97.10200	5.1
98.06071	2.9
98.97582	2.1
99.04500	2.3
103.05508	1.8
105.04559	2.6
105.07043	56.2
106.07405	2.2
107.08603	78.9
108.08968	2.0
109.02895	2.1
109.06550	3.0
109.10162	45.1
110.10515	1.8
112.03980	4.1
112.64067	1.6
117.07003	3.1
119.04972	7.3
119.08597	38.7
119.09374	3.1
121.10161	35.0
123.11713	16.4
124.07612	14.2
125.06038	2.9
125.09724	2.5
127.03967	2.9
127.11234	2.1
131.08574	9.9
133.10138	27.3
135.08238	1.9
135.11711	23.0
137.13281	2.9
138.05533	2.9
138.09181	2.4
142.08667	5.7
145.10178	9.7
147.04433	28.7
147.11696	21.7
149.13290	17.4
151.11185	2.9
152.14490	2.2
159.04268	15.5
159.11700	13.1
160.09605	2.2
161.13277	11.9
163.03940	2.0
163.14833	10.1
166.08701	2.5
168.06621	5.3
170.01874	4.2
173.13257	5.5
175.14804	9.1
177.16463	6.1
184.07430	2.6
184.08267	2.1
184.09702	15.6
187.03838	5.8
187.14851	3.5
189.16417	5.3
201.16483	6.7
203.18010	4.1
204.31543	1.6
210.07668	4.0
212.10780	2.1
215.18030	7.4
220.20715	2.9
224.00179	10.1
230.11784	1.9
233.63564	1.9
234.04036	1.9
236.93800	1.6
243.11351	4.8
267.95395	29.6
268.95721	2.2
271.24243	3.0
272.11700	6.3
280.86011	1.7
285.12408	9.5
288.26895	68.4
294.04333	18.4
303.13565	2.7
310.04636	1.8
323.11520	2.2
338.03848	4.6
360.59586	1.7
418.95422	8.3
422.08972	6.0
436.96570	20.5
467.96234	4.3
468.09720	34.0
468.21677	7.1
468.33646	2.7
469.23468	2.6
471.43011	1.7
492.69550	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	468.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	5.3
55.05495	12.9
56.23658	3.2
67.05505	32.0
69.03420	10.4
69.07089	16.5
69.92912	7.2
69.93323	11.2
79.05512	32.8
81.03410	3.8
81.07066	100.0
83.04964	4.1
83.08622	5.6
85.02906	29.2
91.05479	31.2
93.07048	65.1
95.08617	69.6
97.02901	11.7
97.10155	6.8
105.07042	43.9
107.08601	66.1
109.10172	46.6
119.08598	50.9
121.10157	45.1
123.11707	14.1
127.03955	4.0
131.08543	9.8
133.10162	20.7
135.11720	19.5
145.10120	12.6
147.11731	23.4
149.13272	22.6
156.11731	3.0
157.61166	3.2
159.11707	15.1
161.13251	21.6
161.59808	3.8
163.14864	16.2
173.13315	7.7
175.14816	15.6
177.16394	10.5
187.14841	7.2
189.16402	8.3
201.16396	8.1
203.17947	6.2
215.17935	17.1
222.94284	3.0
224.77974	3.0
255.37546	3.4
256.79193	3.1
271.24188	12.5
489.44101	3.5
491.28180	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3092
Annotation	Buprenorphine
Peak:m/z	Relative Intensity
55.01849	0.4
55.05503	0.9
56.05035	1.3
57.03440	0.6
57.07084	3.7
58.06604	1.2
59.05010	0.4
60.08166	16.9
67.05507	1.2
69.07059	1.6
70.06590	0.6
70.08366	1.3
71.05012	0.4
71.07374	6.8
71.08629	2.4
71.63393	0.3
72.08115	0.4
79.05488	0.4
81.07054	2.2
85.10197	0.9
86.09710	48.6
87.10052	0.6
89.05972	0.5
93.07040	0.6
95.04951	0.6
95.08607	2.0
97.10195	0.4
98.98464	4.9
104.10748	100.0
105.07039	1.3
105.11101	0.7
107.08619	0.5
108.08142	0.4
109.10146	0.9
119.08620	0.6
121.10184	0.5
123.11691	0.6
125.00011	26.4
131.08540	0.4
145.10112	0.6
157.25955	0.3
163.01547	0.6
169.10165	0.5
171.08058	0.7
184.07350	92.7
185.07738	0.5
187.96460	0.7
208.08844	0.4
214.48553	0.4
221.09636	0.6
223.11317	0.4
258.11075	1.3
261.12802	0.8
263.14334	0.6
285.24292	2.1
376.24783	2.0
391.22488	0.6
395.49557	0.4
450.29758	8.4
451.29779	0.5
467.96387	3.2
468.30911	24.7
469.30954	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.9
56.05038	2.6
57.03431	0.9
57.07080	4.4
57.07350	0.4
58.06603	100.0
67.05507	1.1
68.94328	0.2
69.07081	0.8
70.15184	0.9
71.08633	3.3
73.75003	0.2
76.07645	4.8
79.05488	0.3
80.31321	0.2
80.76756	0.2
81.07072	1.6
81.44503	0.2
83.08635	1.1
84.10191	0.2
85.10187	1.8
87.08624	0.3
95.08617	1.9
96.16515	0.3
96.43100	0.2
97.10189	0.6
105.68678	0.3
109.10198	0.8
123.11790	0.4
131.38087	0.2
132.16846	0.2
134.98196	0.5
138.03230	0.3
156.04271	0.6
213.18535	0.3
230.08028	0.9
296.29715	0.4
300.94864	0.3
313.27383	25.9
314.27884	0.4
335.26303	0.3
442.99072	0.3
450.29779	1.2
467.96219	2.0
468.31049	1.2
469.23804	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	7.7
56.05039	5.7
60.04519	3.2
61.08480	2.2
62.02086	2.8
65.03928	3.3
66.35187	2.7
67.05186	2.7
67.05513	27.2
69.03423	4.6
69.07072	7.2
70.06599	31.5
71.04975	10.6
71.50220	4.3
72.08163	18.4
73.08497	3.8
79.05492	7.5
81.07082	15.1
84.04504	10.7
84.08154	45.4
85.02934	6.0
86.09717	39.4
87.02068	2.3
89.64051	2.8
91.05486	6.4
93.07033	5.6
95.01340	3.1
95.04958	9.1
95.06080	3.3
95.08599	10.4
97.06503	4.0
99.04407	3.5
100.07621	4.2
102.05529	2.7
104.10768	2.8
105.07008	4.9
109.06506	4.1
109.10168	65.4
110.06042	2.3
110.07132	3.1
110.09666	3.5
114.70814	2.5
116.07115	4.9
119.04942	8.5
119.08582	6.6
120.08127	10.8
121.10160	5.3
124.99979	3.0
125.06004	7.2
129.10252	17.5
129.88673	2.4
137.09628	83.5
141.01826	4.6
142.08659	4.5
145.50563	2.6
147.04425	28.5
155.10684	16.7
160.09700	4.2
163.03830	5.0
165.09126	40.6
183.10193	9.2
184.07346	12.3
185.07498	2.8
198.13683	2.7
201.11194	17.6
215.06955	6.2
239.12804	61.0
239.15002	2.3
257.13879	100.0
259.09781	5.8
277.10425	3.4
294.04303	5.0
348.09424	3.7
433.16870	3.7
468.09601	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	468.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.3
55.05512	6.4
56.38633	3.0
57.03442	4.8
57.34470	3.2
58.06602	3.4
58.95556	3.2
60.04509	4.2
67.05518	25.5
69.07056	8.3
70.06596	37.3
71.04988	11.4
71.49814	3.6
71.67992	3.2
72.08160	33.5
73.02925	4.6
79.05467	5.0
81.07063	21.1
84.04494	11.2
84.08153	29.5
85.02896	9.4
86.09713	55.8
91.05482	5.8
93.07008	5.1
95.04961	4.6
95.06083	5.4
95.08616	10.3
95.87864	3.5
97.02915	5.3
97.06531	3.7
99.04452	4.1
103.05450	3.8
107.08631	4.6
109.02895	4.6
109.06513	7.6
109.10161	73.5
110.07185	5.5
111.04411	4.5
111.08057	4.2
116.07095	4.3
119.04974	6.3
119.08605	5.3
119.82686	3.6
120.08118	10.7
121.10166	4.7
125.06009	6.9
129.10272	23.0
131.04921	7.3
136.07520	5.9
137.09636	100.0
141.01810	4.3
142.08685	7.3
147.04422	29.9
155.10684	14.4
155.11787	3.2
165.09137	52.8
165.10365	5.4
166.83353	3.9
179.01811	3.2
183.10167	9.0
184.07335	6.6
201.11287	10.1
206.09415	3.8
239.12808	57.9
257.13855	93.2
278.12753	3.9
294.04312	8.3
296.40323	3.7
303.05161	8.1
304.05307	15.2
305.05493	10.9
306.05902	24.6
433.17007	12.0
468.09476	8.5
469.23370	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
55.01870	1.0
55.05500	1.2
56.05042	2.7
58.06597	0.4
58.93156	0.3
60.04522	1.1
67.05490	1.4
68.05028	0.7
69.03413	1.5
69.07034	0.5
69.43454	2.3
70.06596	7.4
71.04997	28.8
72.08160	6.7
72.58852	0.3
74.02448	0.3
74.06080	1.2
77.03925	1.1
79.05492	1.4
80.05035	0.5
81.03417	4.6
83.05012	0.6
84.04511	2.6
84.07644	0.4
84.08150	7.1
85.02884	0.8
86.09712	9.9
87.05590	1.0
87.10048	1.5
88.03999	0.5
91.05466	2.0
94.06582	2.5
95.04977	4.7
95.06087	0.7
96.04503	1.1
97.02898	1.1
98.06062	2.3
102.05540	0.5
103.05474	36.0
104.05753	0.4
105.04492	0.6
107.04929	0.4
109.02881	1.4
110.06030	1.0
110.07180	1.5
111.04421	0.5
112.03973	10.3
112.07590	1.7
112.08750	0.5
112.11269	0.5
114.05553	2.8
114.09188	0.4
115.08730	0.5
116.07096	0.4
119.04954	3.0
120.08092	2.5
121.08492	0.5
122.06043	2.7
123.04440	6.9
124.07596	0.4
124.69368	0.5
125.06004	1.5
127.03940	0.6
127.04979	0.4
129.10228	2.9
131.04936	100.0
132.05257	1.2
136.07587	1.5
140.07074	20.5
141.05513	0.9
142.08659	2.6
147.04424	16.4
148.07582	0.5
149.06032	1.9
155.11769	0.4
158.08131	14.2
158.09439	0.8
159.11311	1.1
160.09718	1.5
163.03973	0.6
165.05504	0.6
176.09196	21.1
177.05472	0.4
184.07323	1.3
190.05333	0.5
190.08607	0.3
196.00645	4.5
218.10248	0.8
220.04289	0.5
224.00156	9.4
230.02727	0.5
248.03801	3.5
248.09244	0.8
266.10269	1.1
275.09189	1.9
276.03259	2.6
280.12979	0.5
291.08850	0.5
293.10193	1.9
294.04309	22.1
309.09607	0.5
422.08954	1.0
432.16553	1.0
450.08456	4.0
450.17548	2.5
468.09634	32.5
468.18964	9.2
468.70926	0.4
469.10095	1.1
469.19476	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	12.1
57.03441	1.8
57.07080	35.2
59.05008	3.4
60.19282	0.6
61.53470	0.8
65.03951	2.7
67.05509	100.0
69.03442	0.8
69.07073	9.4
71.05008	2.8
71.08639	27.2
71.51079	1.3
79.05494	4.0
81.07065	31.4
83.08627	16.7
85.06563	2.8
85.10191	13.7
89.06045	1.4
91.05476	5.1
93.07040	4.7
95.04986	1.1
95.08614	30.3
97.06638	0.9
97.10176	3.6
99.11752	1.1
105.07025	1.5
107.08588	3.7
108.49118	0.8
109.06550	0.8
109.10164	81.9
110.10559	0.8
111.08109	2.2
111.11754	2.4
119.08597	7.4
121.10156	1.4
123.11684	4.2
125.13287	0.8
137.09653	4.0
137.13274	2.1
139.14783	1.0
155.10663	6.5
161.13287	0.8
173.10263	1.6
173.11757	29.0
239.23732	8.3
278.65201	0.7
350.56244	0.7
391.82230	0.8
402.89273	0.7
447.70111	0.7
466.96793	4.0
467.37372	82.2
467.96188	4.6
468.37827	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	468.187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.9
53.46655	0.2
55.01882	0.5
55.05501	0.5
56.05036	0.3
57.03439	0.4
60.04532	0.4
60.65186	0.2
67.05502	0.9
68.05040	0.7
69.03434	1.7
69.58864	1.0
70.06599	2.6
71.04993	2.5
71.56691	0.3
72.04541	0.2
72.08157	2.0
72.33437	0.2
74.06074	0.2
77.03935	0.5
79.05504	0.4
80.05009	0.4
81.03421	5.8
82.06582	0.4
83.04969	0.3
84.04514	1.4
84.08159	1.8
85.02915	1.5
85.34056	0.3
86.09715	1.6
94.06570	2.4
95.04974	3.5
95.06098	0.3
96.04503	0.7
97.02894	2.3
98.06057	0.9
99.04468	0.6
100.07555	0.2
102.04650	0.3
103.05474	27.6
104.05792	0.3
105.04520	0.4
106.32385	0.3
109.02886	2.1
110.06050	0.8
110.07190	0.3
111.04383	0.2
112.03975	8.0
112.07594	1.3
112.08750	0.4
114.05545	2.1
119.04954	0.4
120.08123	0.6
122.06029	2.5
123.04436	5.6
125.76413	0.2
126.05553	0.3
127.03928	1.1
129.10262	0.8
131.04938	100.0
131.24686	0.2
132.05235	1.1
140.07074	15.5
141.05481	0.7
142.08653	0.5
145.05017	0.3
147.04427	1.3
148.07701	0.3
149.05995	6.2
158.08141	9.8
163.04004	0.3
176.09190	17.8
177.05399	0.3
192.04443	0.2
196.00659	0.3
218.10220	0.3
224.00066	0.5
248.09271	0.7
253.14450	0.3
256.64038	0.3
257.08472	0.3
266.10172	1.1
275.09128	4.8
275.11954	0.3
288.12088	0.2
293.10214	5.5
294.04388	1.0
306.13428	0.4
343.65088	0.3
432.16449	0.6
450.08484	1.0
450.17517	1.5
468.09756	1.5
468.18668	8.0
469.19104	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81448	0.8
50.97019	0.9
53.03934	0.8
53.95982	0.7
55.05272	1.0
55.05513	12.4
57.03442	2.1
57.07080	34.1
58.60892	0.7
59.05009	4.0
63.40912	0.8
65.03939	2.9
67.05508	100.0
69.03389	0.8
69.07072	9.4
71.04981	3.2
71.08637	24.9
71.51342	0.9
72.09783	0.7
79.05492	3.3
79.26629	1.0
81.06599	1.5
81.07063	28.0
83.08149	1.2
83.08620	14.3
83.73141	0.8
85.06528	2.9
85.10188	12.4
89.06026	2.0
91.05491	5.2
93.07044	4.1
95.08612	26.2
97.10175	5.4
99.11752	1.4
107.08581	1.4
109.10160	77.8
111.08068	3.2
111.11732	1.1
119.08569	5.0
123.11698	3.4
125.13280	1.0
125.60206	0.8
127.14891	1.1
137.09636	2.2
137.13239	2.2
151.14763	1.0
155.10678	6.2
173.11746	25.1
173.13208	1.8
221.22577	1.3
237.02046	0.8
239.23721	8.4
367.70547	1.0
449.26178	1.1
466.96686	1.5
467.37326	70.3
467.96213	2.3
468.37775	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.8
54.54560	4.0
55.05514	21.9
57.03426	7.0
57.07076	5.1
59.04999	4.7
61.02928	5.3
67.05520	32.2
69.03423	19.1
69.07063	23.1
70.06591	5.8
70.75141	12.6
71.04992	10.2
74.52700	3.7
79.05507	27.4
81.03407	14.3
81.07063	100.0
83.04969	11.4
83.08589	8.1
85.02909	30.8
86.09661	6.3
89.06018	8.8
91.05479	22.7
93.07053	50.7
95.05004	7.2
95.08616	50.7
97.02886	11.3
97.06528	10.2
97.10170	5.7
99.04436	5.8
105.07037	39.7
107.08610	72.8
109.02879	5.3
109.06529	9.7
109.10159	40.2
114.85284	3.9
117.07011	5.9
119.08598	41.4
121.06501	4.9
121.10167	48.6
123.08108	7.6
123.11694	20.1
125.09650	6.9
127.03931	7.4
129.04102	4.4
130.07803	4.3
131.08592	14.1
133.10133	33.4
135.11707	22.3
137.09631	7.0
137.13286	6.3
142.07887	4.2
143.08582	8.1
145.10112	22.5
147.04443	4.5
147.11673	17.6
149.09656	7.4
149.13272	29.3
151.11223	7.5
157.10214	9.7
159.11710	26.4
161.13272	17.9
163.14867	6.2
165.12718	5.6
171.11688	9.1
173.13271	19.1
175.14867	10.0
177.16393	9.9
187.14838	10.8
189.16458	7.9
199.14856	11.0
201.16385	11.0
203.17964	8.3
213.16464	8.0
217.19487	4.9
227.17906	5.9
229.19537	8.0
239.58185	4.1
255.21329	4.2
269.22601	14.6
287.23553	15.1
297.78604	4.5
305.24689	12.6
327.47418	4.8
395.80298	4.9
467.29535	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	467.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.1
55.01863	1.8
55.05514	10.7
57.03433	2.0
57.07076	11.2
59.04995	2.5
65.03915	2.1
67.05510	46.8
69.03437	6.9
69.07073	15.1
69.65592	9.7
71.04980	2.2
71.08622	5.8
77.23250	1.3
78.04673	1.6
79.05504	26.6
81.03416	3.1
81.07060	100.0
83.08633	10.6
85.02908	14.3
85.06522	1.4
85.10181	2.8
86.34425	1.3
91.04005	1.7
91.05486	14.4
93.07046	32.7
95.04962	2.3
95.08611	75.0
97.02884	4.8
97.06508	2.0
97.10165	6.4
105.07039	16.8
107.07897	2.2
107.08601	28.1
109.02872	1.6
109.05872	1.6
109.06538	8.6
109.10163	38.9
111.08089	7.7
111.11717	2.3
117.07033	3.3
119.08605	13.8
121.10149	26.3
123.08069	1.9
123.11681	7.0
125.09590	1.9
129.07028	2.8
131.08574	6.5
133.10136	17.4
135.11702	14.0
137.13246	2.9
143.08563	3.3
145.04965	2.7
145.10120	10.3
147.11679	9.7
149.13271	16.2
151.11165	2.9
157.10141	5.5
159.11703	10.5
161.13301	7.2
163.11185	2.0
163.14807	6.1
165.12711	2.3
171.11681	3.0
173.11748	6.1
173.13281	7.2
175.14822	5.1
177.16440	4.4
185.13286	4.1
187.14825	9.8
189.16359	2.7
199.14781	3.7
201.16429	2.7
203.18018	2.4
205.15868	11.7
205.73859	1.5
213.16426	8.2
227.18074	1.7
231.17502	2.3
239.23666	2.1
257.50568	1.6
259.24713	1.8
269.22672	14.5
280.36057	1.4
287.23837	8.7
305.24863	2.0
367.00961	1.5
466.96747	3.1
467.37283	18.0
467.95895	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	467.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03972	4.2
55.05513	24.4
57.03445	5.1
57.07081	27.3
59.39181	3.0
65.03943	3.7
67.05509	90.4
69.03429	10.1
69.07068	25.1
71.08635	21.6
78.77897	3.3
79.05492	22.5
81.03427	4.3
81.07062	91.8
83.04982	4.9
83.08618	16.2
85.02911	24.8
85.06540	3.7
85.10196	9.3
86.20216	3.2
89.06026	4.4
90.63120	3.6
91.05473	21.1
93.07039	41.6
95.04967	6.0
95.08615	56.0
97.02925	7.0
97.06519	6.3
97.10180	6.3
98.98483	10.5
105.07041	34.8
107.08604	49.9
108.82941	3.3
109.06518	7.8
109.10165	100.0
111.11710	3.6
114.15331	3.3
117.07056	6.9
119.08580	56.3
121.10143	21.5
123.08057	3.8
123.11722	11.8
125.09634	6.1
127.03940	4.4
129.07011	5.4
131.08566	13.5
133.10107	20.9
135.11699	37.8
137.09639	7.4
142.07797	6.1
143.08592	6.7
145.10144	27.7
147.11731	15.5
149.13284	7.3
155.01012	11.4
157.10136	21.7
159.11700	28.0
161.13268	14.7
163.14812	4.5
171.11652	6.9
173.11717	17.3
173.13290	8.8
175.14836	6.6
185.13223	6.0
186.39235	4.2
187.14873	8.1
198.50459	3.0
199.14821	8.0
201.16486	7.7
213.16383	30.5
229.19527	5.4
229.41171	4.0
239.23679	6.2
269.22662	18.6
272.21280	4.3
287.23724	12.7
305.24933	4.9
313.27487	25.7
432.49121	3.7
466.96988	9.0
467.37369	42.0
467.96609	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	467.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90960	2.2
53.03942	5.0
55.05503	7.3
57.07065	2.4
67.05519	15.3
67.86130	2.4
69.03423	7.8
69.07059	8.3
70.14664	8.0
74.85841	2.2
79.05497	27.9
81.03410	3.8
81.07065	100.0
81.96329	2.5
83.08638	5.4
84.66789	2.2
85.02914	14.8
91.05479	10.3
93.07055	35.3
95.04987	3.3
95.08623	66.5
97.02894	7.7
97.10148	4.4
105.07030	21.7
107.08603	33.5
109.06528	7.6
109.10161	18.6
111.08103	5.4
119.08591	16.2
121.10155	24.6
123.08131	4.1
123.11713	6.1
127.03912	2.6
131.08571	9.1
133.10130	8.9
135.11700	10.3
137.09657	3.8
145.10146	8.7
147.11687	4.8
149.13283	20.1
151.11168	4.1
157.10147	4.0
159.11713	10.2
161.13242	8.1
163.14828	8.5
171.11694	2.5
173.13300	7.8
173.43802	2.6
175.14801	6.6
177.16354	3.0
185.13179	5.1
187.14812	8.1
189.16479	4.0
199.14703	3.5
201.16406	5.9
203.18071	3.4
205.15939	13.6
213.16342	7.3
224.16513	2.8
259.24091	2.9
269.22693	18.1
287.23734	9.6
289.36896	2.5
301.64438	2.2
376.35934	2.5
439.01080	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.2
55.05494	15.0
57.03425	5.0
61.02925	5.5
67.05504	45.4
69.03416	13.4
69.07077	20.4
70.65145	4.4
70.65504	10.1
71.04972	3.9
79.05491	40.8
81.06603	6.5
81.07066	100.0
81.45753	4.1
83.04971	6.5
83.08611	8.7
85.02911	30.5
85.06538	3.9
91.05482	24.4
93.07055	54.2
95.04969	9.5
95.08615	56.2
97.02863	8.5
97.06535	7.5
97.10170	4.2
105.07039	49.0
107.08602	70.8
109.06524	9.1
109.10165	83.4
111.08041	4.5
111.11646	3.9
117.07019	5.1
119.08591	71.2
121.06432	3.9
121.10149	28.4
123.08090	4.1
123.11688	7.1
125.09611	5.9
125.83350	3.8
127.03921	4.9
129.07007	5.7
131.08562	20.3
133.10173	20.0
135.11702	54.4
137.09621	7.9
137.13315	7.2
142.07767	4.6
143.08577	15.8
145.05043	5.4
145.10146	29.6
147.11676	21.4
149.13258	13.1
156.09349	4.1
157.10168	26.8
159.11688	38.0
161.13237	15.0
165.12741	6.9
171.11711	19.5
173.13271	15.0
175.14876	8.8
185.13249	7.0
187.14810	10.0
189.16391	6.5
199.14806	9.1
201.16388	6.8
213.16408	44.6
227.17972	4.2
229.19563	5.1
269.22650	24.7
287.23734	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	467.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	16.7
67.05504	28.6
68.74840	6.0
69.03428	15.3
69.07066	21.3
70.59357	17.3
70.59722	5.2
71.04995	7.5
79.05498	43.7
81.03378	10.2
81.07068	100.0
83.08617	8.6
85.02913	30.4
90.18264	5.3
91.05494	38.5
93.07059	64.7
95.04989	6.5
95.08600	65.5
97.02899	9.1
98.88139	7.0
105.07037	62.2
105.21400	5.9
106.13913	6.4
107.08595	85.0
109.06524	13.7
109.10172	43.6
119.08578	48.1
121.10153	43.4
123.11712	21.9
125.09641	14.1
125.17409	6.9
127.03886	8.1
131.08583	13.1
133.10159	27.0
135.11661	16.2
145.10138	29.2
147.11707	34.4
149.13266	52.1
151.11163	22.9
157.10121	16.7
159.11629	27.7
161.13290	16.1
163.14926	7.5
165.12878	6.9
171.11736	10.2
173.13295	17.8
175.14783	11.4
184.07425	7.2
187.14752	11.9
189.16380	10.4
199.14813	10.1
201.16373	9.7
213.16335	16.0
269.22653	17.9
287.23633	12.7
293.09604	6.2
468.23642	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	467.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	11.3
55.01865	15.3
55.05512	29.7
57.03431	12.7
57.07066	7.4
59.05006	30.4
60.04337	5.3
65.03946	5.5
67.05244	5.1
67.05513	52.5
69.03421	39.1
69.07080	30.8
69.47998	39.9
70.06574	8.9
71.04973	12.7
74.69594	6.3
79.05497	37.5
81.03417	15.4
81.06605	6.0
81.07063	100.0
83.04960	9.1
85.02533	5.0
85.02917	61.8
85.06552	13.3
87.04475	26.3
91.05492	29.9
93.07056	67.1
95.04975	7.1
95.08618	68.3
97.02889	18.9
97.06513	14.2
97.10144	9.8
98.21550	6.6
99.08092	6.7
103.03939	7.6
105.07037	72.7
107.08601	76.3
109.02901	8.4
109.06538	8.5
109.10173	58.2
111.04409	7.1
113.09643	6.0
117.06998	9.9
119.08588	62.0
121.10153	65.0
123.08080	13.3
123.11713	18.8
125.09609	19.0
127.03890	10.4
128.06200	6.2
131.08562	21.4
133.10143	42.0
135.11719	33.5
137.13254	8.6
141.09109	6.9
142.07751	5.4
143.08612	13.1
143.10683	26.8
145.04964	9.1
145.10135	29.3
147.11679	42.1
149.13275	37.1
151.11252	10.3
157.10117	23.7
159.11729	35.0
161.13283	30.3
163.11230	7.4
163.14824	14.6
169.12227	14.2
171.11694	14.0
173.13283	27.5
175.14854	9.9
177.16373	8.4
185.13226	8.1
187.14890	25.9
189.16377	10.5
191.17970	11.3
199.14813	15.7
201.16365	9.5
203.17978	43.6
212.77475	5.6
213.16376	26.5
227.17912	8.0
229.19479	12.5
269.22574	31.1
274.47195	5.4
287.23712	44.7
305.24857	38.9
413.26358	6.0
417.16721	6.1
438.13193	5.4
467.28635	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	467.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09383	5.4
53.03941	11.5
55.01884	5.9
55.05527	27.3
57.03441	9.2
61.02910	8.3
67.05511	46.0
69.03454	25.9
69.07080	25.2
70.07060	23.8
71.04985	14.6
73.02921	5.1
77.69026	4.7
79.05511	36.9
79.38966	4.6
81.03426	8.6
81.07071	100.0
83.04969	15.3
83.08607	13.1
85.02917	47.5
91.05492	38.3
91.96531	4.5
93.07058	64.5
95.04972	14.0
95.08623	78.9
97.02889	15.2
97.06553	9.4
97.10153	5.7
99.04444	6.5
105.04517	5.6
105.07040	46.5
107.08608	59.6
109.06507	7.3
109.10172	41.3
111.17600	5.2
113.71998	5.1
117.07009	8.2
117.93901	4.7
119.04941	5.3
119.08589	53.6
121.06492	6.6
121.10147	35.8
123.08064	22.3
123.11699	18.6
125.09632	6.9
127.03893	6.0
129.07021	9.8
131.08560	18.0
133.10162	36.4
135.11693	19.9
141.09109	19.2
143.08571	19.9
145.04926	7.1
145.10100	29.0
147.04419	9.3
147.11719	28.1
149.13246	23.4
151.11224	6.9
157.10126	24.9
159.11722	30.5
161.13225	25.2
163.14783	11.9
171.11702	14.8
173.13274	18.1
175.14856	12.1
185.13290	12.3
187.14873	11.3
189.16458	12.0
199.14841	15.5
201.16397	9.5
203.17952	6.6
213.16397	19.9
217.16032	7.0
220.65172	5.2
227.17918	10.3
229.19382	5.5
247.55479	5.2
268.83481	4.6
269.22656	28.5
270.76270	4.9
287.23828	26.9
305.24854	12.5
384.18353	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	467.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.3
55.05513	13.7
57.07074	2.5
61.38254	2.6
61.64277	2.2
62.60139	2.1
65.03914	3.9
67.05511	25.6
69.03438	17.3
69.07081	17.5
69.43442	4.7
69.43846	13.4
69.88427	2.1
71.04984	3.4
79.05501	29.9
81.03439	4.0
81.07063	100.0
83.04999	3.3
83.08617	7.2
85.02918	20.6
85.06557	3.6
91.05488	25.5
93.07053	57.7
95.04969	7.0
95.08616	59.0
97.02898	7.8
97.06516	5.1
97.10156	4.2
105.07046	41.8
107.08601	67.9
109.06521	13.9
109.10164	39.7
111.08092	5.6
117.07026	8.1
119.08598	42.1
121.09338	3.1
121.10162	39.1
123.08092	5.1
123.11769	11.4
125.09653	7.0
127.03996	3.4
131.08580	11.6
133.10143	26.7
135.11707	18.4
137.09589	3.5
143.08556	9.2
145.04959	3.3
145.10118	22.4
147.11716	17.2
149.13266	42.2
151.11186	25.3
153.37912	2.2
156.07146	2.6
157.10127	10.8
159.11696	21.7
161.13264	15.1
163.14813	5.5
171.11678	7.7
173.13217	14.5
175.14827	7.2
177.12711	3.5
177.16385	4.6
185.13316	5.2
187.14815	11.5
189.16394	8.4
199.14813	10.2
201.16382	6.9
205.15858	6.6
213.16394	14.9
214.20860	2.7
260.12451	2.5
269.22702	21.2
287.23645	10.0
305.24893	2.6
466.02454	2.8
467.13071	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	466.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88292	1.3
55.05510	9.0
56.05824	1.5
57.06799	2.0
57.07075	35.7
59.04976	1.5
67.05510	26.0
68.05844	7.2
69.07068	10.8
71.05005	1.3
71.08249	1.5
71.08632	27.2
79.82390	1.2
81.07040	5.2
83.08614	9.9
84.08978	1.6
85.10180	19.0
87.04444	2.1
89.06032	100.0
91.05490	2.5
93.07014	2.6
95.08604	2.1
97.10165	5.4
98.10511	3.0
99.11674	1.8
104.38415	1.2
107.07077	2.9
107.08623	2.2
109.10163	18.0
110.10476	4.7
111.11680	2.0
119.08569	1.8
130.08607	2.6
133.08611	58.6
136.90610	1.4
151.09685	6.8
173.11772	5.8
174.12074	1.9
177.11223	11.5
187.96523	1.9
195.12285	4.6
207.03270	1.6
229.17508	1.4
239.14900	75.4
367.36221	1.3
439.47769	1.5
449.38834	6.1
465.96527	21.9
466.22681	2.8
466.35999	20.6
466.96774	1.4
467.36871	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	466.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.5
57.06797	1.3
57.07080	39.5
59.05006	100.0
67.05496	3.0
69.07078	6.5
69.16659	2.1
69.17072	6.6
71.08636	35.7
71.38905	0.7
73.06557	7.2
77.27817	0.8
81.07056	1.9
83.08624	4.5
85.10184	22.4
87.04449	1.4
89.06038	46.1
89.73544	0.9
97.10165	4.8
99.11719	3.1
103.07587	81.3
105.77746	0.9
109.10167	2.6
111.11727	2.9
113.13277	2.6
117.09135	2.8
125.13258	3.0
127.14813	1.8
133.08607	17.1
141.16342	1.0
147.10173	35.3
165.11241	1.2
177.11234	6.0
177.54350	0.8
191.12685	0.9
197.22691	1.9
209.13754	2.1
241.25276	1.4
253.16479	19.7
285.27972	6.2
329.30511	3.1
449.38388	3.7
465.96814	6.4
466.35355	1.2
466.41501	6.3
478.17966	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.1
57.06791	2.2
57.07080	42.0
59.05004	43.1
67.05508	9.8
69.07067	6.4
70.75633	2.4
71.08636	37.4
73.06547	3.8
79.05459	1.2
79.28988	1.1
81.07061	2.6
83.08624	7.4
85.10188	24.7
87.04471	24.4
89.05489	2.4
89.06038	46.1
95.08619	2.2
97.10184	5.8
99.11730	2.5
103.03950	100.0
103.07589	61.8
107.07063	2.9
109.10167	5.5
110.10507	1.2
111.11706	2.8
113.13286	2.8
117.09165	1.7
119.07067	2.1
119.08563	1.1
121.07822	1.3
121.08631	14.8
125.13272	1.7
125.83411	1.1
127.14876	1.9
130.00540	1.2
131.07063	7.9
131.08571	1.1
133.08633	15.2
141.16455	1.1
147.06532	10.6
147.10170	8.0
151.09689	1.7
151.27425	1.0
160.82124	1.0
163.09688	3.3
168.58417	1.0
173.11716	1.7
185.96863	1.1
191.09166	4.6
191.12822	3.3
197.22581	3.8
207.12294	21.8
235.11771	9.5
239.23357	1.1
239.90439	1.2
240.44609	1.0
241.25314	2.5
253.12825	11.9
285.27863	3.8
309.11713	1.1
323.56522	1.1
329.30481	2.4
403.34045	1.9
449.34769	4.3
465.96484	9.3
466.36163	5.4
466.96954	1.3
469.37247	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
55.01867	2.3
55.05511	2.3
56.05033	1.9
57.03434	5.3
61.02918	4.4
67.05517	1.3
68.05028	3.2
69.03087	1.6
69.03439	22.3
69.07059	1.5
69.67857	1.1
69.80659	5.1
70.06594	7.4
71.04995	2.8
72.08158	1.5
72.94257	1.1
73.02917	2.7
79.05073	1.5
79.05505	21.1
80.05035	2.1
80.31607	1.1
81.01986	1.1
81.03423	12.4
81.07064	2.0
82.06584	1.8
83.04984	3.8
84.04508	4.2
84.08142	2.3
85.02911	37.4
87.04485	2.4
95.04980	7.2
96.08181	1.3
97.02915	10.5
97.06532	6.7
98.06060	3.1
98.20786	1.6
99.04466	19.4
101.05997	2.1
105.63664	1.1
107.04964	5.9
109.02908	5.5
110.06055	8.1
111.04461	2.4
111.99420	1.1
112.03985	3.1
112.07627	1.9
113.02385	1.9
114.98847	1.3
115.03949	12.8
118.08720	1.7
123.04444	1.4
125.06014	20.7
126.09180	2.4
127.03932	26.6
127.04826	2.1
128.07095	17.5
129.05478	1.7
129.10298	1.3
130.05020	14.5
131.03397	1.1
136.07532	2.8
140.07085	4.8
141.76279	1.3
142.08635	13.3
143.07062	3.3
144.06566	14.4
145.04980	26.5
154.08662	27.1
156.06532	2.2
156.64401	1.1
158.08142	2.0
160.09673	2.7
161.02977	1.3
162.07631	26.3
168.06612	1.1
170.08127	2.3
172.09709	17.1
176.09247	2.9
200.09204	1.6
224.09175	2.5
226.10901	1.4
236.09280	1.3
240.12424	4.7
242.10268	26.6
247.04478	1.1
260.11334	14.1
268.11609	2.1
286.12875	51.2
304.13940	100.0
349.07294	1.3
448.18048	8.0
466.19235	83.0
467.19440	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47260	1.0
53.03954	2.1
55.01889	2.1
55.05499	1.1
56.05035	2.7
57.03433	1.1
59.05007	83.9
59.79482	0.9
67.05496	2.9
68.05021	1.8
69.03104	1.0
69.03436	7.2
70.06606	5.6
70.77616	1.1
70.77943	2.1
71.04990	1.4
72.08156	2.7
73.02928	2.4
75.36934	0.9
80.05023	1.5
81.03427	11.7
84.04515	5.4
84.08158	5.4
85.02456	1.1
85.02901	6.4
86.09687	1.7
87.04480	2.9
94.06577	7.1
95.04977	11.0
96.04509	1.9
97.02911	5.8
98.06065	3.4
98.97592	1.3
99.04499	2.0
101.06027	23.3
109.02862	7.4
110.06046	3.2
110.07185	1.1
112.03979	25.9
112.07613	4.6
114.05554	6.9
115.03941	7.2
117.02120	1.1
120.08111	3.8
122.06039	6.9
123.04446	16.1
125.05843	0.9
127.03942	5.1
129.05493	100.0
129.10265	1.7
130.05000	1.5
130.08696	0.9
136.07599	1.9
139.40773	0.8
140.07076	57.5
141.05515	1.8
145.04980	2.5
147.06528	10.2
157.04965	1.0
158.08141	37.4
163.03902	1.2
170.58212	1.0
176.09192	44.8
183.84900	1.0
200.09213	1.0
210.11258	1.4
218.10228	2.2
259.08133	3.1
266.10196	2.0
273.09708	6.1
285.66544	0.9
291.10803	4.5
303.05112	1.2
304.05139	1.4
412.16119	1.3
414.32498	1.3
426.95401	1.0
430.17194	3.7
448.17966	5.3
465.96686	4.9
466.19208	44.5
467.19437	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	465.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	10.4
57.00938	0.6
57.07080	36.9
59.04992	1.8
65.03951	0.9
67.05509	24.2
69.07072	10.2
69.32050	5.6
71.04975	1.1
71.08636	31.9
73.06572	6.6
79.05503	1.8
81.07063	5.5
83.08618	11.3
85.10184	19.1
87.03992	0.7
87.04457	3.5
89.06036	100.0
91.05486	2.5
93.07053	1.9
95.08623	3.1
97.10189	8.6
99.11736	1.8
102.56621	0.7
105.07033	1.8
107.07083	2.6
107.08618	1.1
109.10162	17.2
111.08063	1.1
111.11732	3.6
113.13321	1.0
117.09142	2.0
119.08612	2.1
121.10143	1.0
125.13280	1.2
127.09473	0.6
127.14825	1.1
130.08629	1.9
131.08534	1.0
133.08615	37.0
135.10248	0.7
137.52892	0.8
155.10674	1.4
173.11748	5.9
177.11217	10.2
181.10323	0.7
183.21152	1.4
195.12297	1.7
227.23837	0.7
237.22406	0.7
239.15013	1.5
271.26642	0.7
283.17526	3.2
465.35785	15.2
465.96487	1.7
468.60172	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.01870	1.4
55.05512	38.1
57.03437	2.4
57.07078	13.7
59.05009	3.3
59.40534	0.4
65.03938	1.7
67.05505	100.0
69.03448	0.6
69.07069	38.3
69.32416	4.0
71.05005	2.6
71.08637	9.4
79.05476	2.5
80.47185	0.4
81.07055	16.8
83.08618	37.1
85.06541	2.7
85.10184	3.3
87.04465	0.5
91.05482	6.1
93.07032	3.6
95.08611	7.6
97.10171	26.8
98.21546	1.0
103.01575	0.5
107.08597	2.7
107.66854	0.4
109.10158	75.3
111.08091	2.7
111.11722	9.4
111.62561	0.5
117.07061	0.4
119.08588	5.7
121.10186	1.1
125.09626	0.7
125.13251	3.2
127.11279	0.5
133.08606	0.6
135.11676	1.0
137.09634	4.1
139.14803	0.8
143.22459	0.5
155.10683	6.7
173.11737	31.6
229.14417	0.6
237.22137	2.5
464.96692	0.7
465.35785	84.1
465.96951	2.4
466.36169	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	465.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.6
55.05517	39.6
57.03447	1.6
57.07080	15.8
57.29853	0.7
59.04998	4.7
65.03944	2.8
67.05511	100.0
69.07074	38.5
71.04996	3.5
71.08636	8.9
79.05500	3.5
81.07062	16.4
81.07526	0.9
83.08626	37.6
85.06563	3.3
85.10189	4.4
89.06059	3.1
91.05485	7.5
93.07058	4.7
95.05037	1.2
95.08608	6.8
97.10182	27.9
98.20810	1.9
99.08147	0.9
103.00864	0.9
105.07066	1.4
107.08611	2.5
109.10166	75.4
111.08103	2.4
111.11742	8.3
119.08605	7.1
121.10214	0.8
123.11744	0.8
125.13299	3.1
133.08571	1.3
135.11700	1.7
137.09650	4.7
155.10658	5.3
157.98730	0.8
167.03410	0.7
173.11754	29.6
174.90808	0.8
211.13264	0.8
226.36760	0.8
237.22169	3.6
239.14842	1.1
260.05716	0.7
315.35922	0.7
333.41763	0.8
385.29459	1.6
465.22620	2.3
465.35825	78.2
465.96582	2.8
466.36285	1.2
470.26892	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	28.6
57.03424	10.2
60.60596	6.8
66.81257	6.9
67.05515	37.8
69.03423	18.6
69.07061	14.0
70.06593	15.8
71.04644	14.3
72.08156	8.3
73.02888	7.7
79.05487	40.0
81.03414	22.9
81.07063	86.7
83.04977	16.2
83.08631	8.0
85.02889	20.9
91.05478	34.0
93.07055	70.2
95.04971	16.4
95.08617	65.9
95.35715	6.3
97.02894	16.2
97.06512	10.0
105.07043	60.4
107.04967	10.7
107.08598	67.4
109.06539	10.8
109.10146	36.1
111.04463	9.0
111.08087	8.7
117.07012	11.8
119.08603	61.0
121.06529	12.1
121.10143	43.3
123.08080	14.2
123.11713	12.4
128.01582	7.2
130.00555	9.4
131.08604	33.3
133.10149	41.0
135.08096	9.1
135.11678	24.1
139.84108	6.7
143.08554	29.1
145.10124	39.5
147.08046	10.2
147.11678	29.0
149.02353	32.4
149.13281	13.9
157.10155	15.3
159.08119	7.1
159.11717	28.5
161.09599	10.0
161.13275	20.9
163.11246	8.3
169.10071	9.6
171.11682	15.5
173.09552	7.8
173.13251	28.4
175.11211	8.2
178.38158	6.3
183.11714	14.8
185.13243	19.7
185.96576	9.7
187.14868	15.9
189.16368	10.5
193.04909	40.3
195.11806	9.8
197.13281	8.3
201.16342	16.6
203.14468	8.9
209.13205	7.9
211.14893	17.7
213.16350	12.3
257.22705	9.2
300.28958	12.4
303.04883	10.1
303.23193	8.5
351.23801	7.7
361.03879	7.6
393.24329	9.7
411.25415	12.7
428.24792	7.1
429.26324	25.6
447.27365	13.2
464.96960	27.7
465.96555	100.0
466.31787	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00166	6.4
53.03947	17.6
55.01859	8.7
55.05513	26.8
57.03437	12.9
57.07080	11.5
58.89766	7.0
61.02926	8.7
61.69460	6.2
67.05511	56.6
69.03429	31.5
69.07066	23.9
69.44253	57.1
70.06594	21.7
71.05000	13.5
71.54850	7.8
72.08142	7.8
73.02946	12.4
79.05505	56.7
81.03423	21.5
81.07063	79.4
83.04975	16.4
83.08626	11.5
85.02912	39.1
91.05499	53.2
93.07041	95.5
95.04966	32.6
95.08057	9.3
95.08618	92.6
97.02903	14.7
97.06535	15.4
97.10163	9.4
98.21530	7.6
99.04436	10.8
105.07034	83.6
107.08603	70.3
109.06534	15.3
109.10159	39.3
111.04446	20.1
114.04967	7.7
117.07027	16.3
119.08598	70.9
121.06471	14.4
121.10163	62.4
123.08092	10.0
123.11699	18.4
128.06212	11.1
129.06995	9.0
130.00488	9.8
131.08597	44.4
133.10135	55.3
135.08064	12.5
135.11699	31.6
137.05885	7.6
139.07648	9.0
142.07767	8.7
143.08571	27.8
145.10135	53.4
147.08052	12.2
147.11699	38.5
149.02359	96.1
149.09698	9.6
149.13254	21.9
155.08505	12.6
157.10115	34.9
159.11716	38.2
161.09595	16.4
161.13274	27.0
163.14929	10.0
169.10155	18.1
171.11710	24.9
173.09724	7.6
173.13300	40.8
175.11218	8.8
175.14873	8.4
183.11678	22.5
185.13255	24.6
187.14854	18.2
187.96396	10.3
189.09200	9.0
189.12724	7.8
193.04984	87.9
197.13222	22.3
199.14879	18.0
201.16371	12.2
203.14354	10.7
211.14735	17.8
213.16309	10.6
215.14406	8.9
218.92668	6.9
223.14836	12.1
225.16360	10.0
229.19495	8.0
238.42966	7.4
257.22598	15.5
266.90771	8.8
285.22092	9.3
300.29065	23.5
303.05182	11.9
303.23358	16.3
315.23288	12.2
327.22961	7.3
393.24487	17.0
411.25146	25.1
429.26379	30.9
447.27234	9.4
464.97339	38.8
465.96719	95.9
466.31705	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.0
55.01871	6.1
55.05510	7.9
57.03427	5.6
61.02922	7.9
63.62175	2.9
67.05531	18.1
69.03423	16.1
69.07056	7.0
69.99840	14.6
71.04987	4.9
79.05502	33.7
81.03419	8.0
81.06597	5.0
81.07066	100.0
83.04971	3.2
83.08620	6.0
83.58128	2.9
85.02911	42.9
91.05486	19.3
93.07066	39.7
95.05000	3.2
95.08617	35.0
97.02892	15.5
99.04447	3.0
105.07043	44.6
107.08602	33.3
109.02863	6.4
109.06535	11.1
109.10168	16.7
111.08083	7.8
117.07005	11.1
119.08598	24.7
121.06516	4.6
121.10121	12.9
123.08144	3.4
125.09662	5.5
127.03948	8.2
129.07007	3.7
131.07703	2.7
131.08572	17.1
133.10152	31.4
135.11702	39.5
137.09656	7.5
142.07655	4.4
143.08563	11.0
145.04945	7.0
145.10112	21.1
147.11720	16.2
148.08868	3.1
149.13274	6.8
151.11176	19.0
155.08643	3.3
157.10101	8.9
159.11700	18.7
161.13268	14.1
163.11188	4.5
163.14861	4.2
169.10083	4.6
171.11655	9.5
173.13274	8.0
175.14845	18.7
177.12747	5.8
183.11784	5.0
185.13237	8.6
187.14815	12.4
189.12746	8.1
191.14160	4.5
193.15933	11.3
197.13266	7.4
199.14864	11.7
201.16199	4.1
203.14365	7.1
204.15070	11.4
205.15942	3.2
211.14780	8.6
217.15823	5.8
221.15300	3.5
227.17934	10.3
229.19539	8.8
245.19066	29.4
257.22748	3.8
267.21112	22.9
285.22180	27.0
303.23187	40.4
412.86002	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.4
54.78283	1.8
55.01867	3.5
55.05513	11.9
57.03421	4.8
57.21698	1.5
58.67410	1.7
61.02911	5.9
65.03934	2.7
65.38002	1.6
67.05512	23.3
69.03431	19.8
69.07072	10.0
69.85195	1.5
70.06600	9.3
70.83852	4.1
71.04978	3.5
72.08146	6.6
73.02895	3.3
79.05499	35.7
81.03419	10.7
81.07061	100.0
83.04974	4.2
83.08610	3.0
84.04515	1.9
84.08157	7.4
85.02908	37.0
85.06519	3.7
86.09704	10.1
87.04433	2.6
89.06029	1.8
91.03963	1.9
91.05486	21.7
93.06487	3.0
93.07050	45.0
95.04956	6.5
95.06100	3.3
95.08611	33.4
97.02892	14.2
97.06524	6.4
98.97569	3.0
99.04456	2.3
103.05446	1.8
105.07034	82.6
107.04971	1.6
107.08602	38.8
109.02887	3.1
109.06524	13.4
109.10159	24.9
111.04447	1.7
111.08066	4.6
112.11242	1.7
116.73856	1.7
117.07017	5.0
119.08584	45.5
120.08141	11.9
121.06493	4.7
121.10149	32.6
123.08051	4.5
123.11720	7.4
125.09631	3.0
127.03890	7.2
127.11234	1.5
128.06216	2.3
129.07018	4.0
129.10242	4.5
130.04886	1.4
131.08588	13.5
133.10138	23.9
135.08054	5.8
135.11716	11.8
137.09593	5.3
139.11192	3.0
142.07811	3.2
143.08585	7.5
144.09253	2.3
145.04971	4.1
145.10124	19.6
147.07991	1.7
147.11688	40.0
149.09657	2.1
149.13258	6.3
151.11186	7.3
155.08539	3.6
156.09383	2.2
157.10135	14.5
159.11710	15.3
161.09665	2.6
161.13260	10.1
163.11192	6.1
163.14861	2.7
165.12761	4.9
169.10161	7.0
171.11742	8.1
173.09677	2.8
173.13190	8.2
175.11221	4.2
175.14856	13.1
177.12820	4.2
179.14317	1.4
183.11656	4.0
185.13249	6.8
187.11145	2.1
187.14767	6.8
189.12830	3.9
189.16380	2.4
191.14279	4.4
197.13313	5.1
199.14838	8.2
201.16371	2.2
203.14294	4.4
211.14908	7.9
211.16599	1.7
213.16360	2.1
215.14220	2.1
215.17984	2.1
217.15878	10.4
225.16354	3.6
227.17931	5.1
229.15932	2.8
257.22766	3.3
267.21082	9.4
285.22171	15.0
287.05280	2.2
301.07260	2.3
302.07465	1.9
303.04791	10.4
303.07785	3.8
303.23135	12.9
465.28482	3.4
465.96335	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	465.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.1
54.33278	2.6
55.01872	5.5
55.05513	14.0
57.03423	6.6
61.02937	4.6
65.03931	4.1
67.05511	22.6
68.26760	2.7
69.03441	23.6
69.07067	10.9
70.46555	9.6
71.05014	5.2
79.05495	33.2
81.03425	8.8
81.07067	79.2
83.04977	9.9
83.08633	8.2
85.02909	41.4
85.06544	6.1
91.05492	31.9
93.07059	49.1
95.04992	7.5
95.08623	33.7
97.02895	16.4
97.06520	9.8
104.29321	2.7
105.07043	76.3
106.77912	3.3
107.07877	6.4
107.08605	100.0
109.02887	4.3
109.06516	20.1
109.10149	27.4
111.08083	6.7
117.07018	7.2
119.08595	46.0
119.60197	3.4
121.06540	4.8
121.10170	31.1
123.08086	11.8
123.11741	8.3
125.09644	55.7
127.03928	9.9
129.06973	3.0
131.08556	15.5
133.10115	29.0
135.08102	5.4
135.11716	24.3
137.09651	6.0
142.07771	3.7
143.08604	6.9
144.09373	3.9
145.10165	16.7
147.08072	4.8
147.11696	19.3
149.09648	6.6
149.13272	9.0
151.11282	5.8
153.09119	5.0
155.08572	4.4
157.10175	12.4
159.07803	2.9
159.11707	27.1
161.13283	51.2
163.11340	6.1
163.14850	3.7
165.12846	3.2
169.10114	3.8
171.11685	7.6
173.13283	10.1
175.11172	6.6
175.14818	7.7
179.14336	6.2
183.11775	4.9
185.13313	5.2
187.14769	6.3
197.13159	5.5
199.14903	7.3
203.14259	5.0
211.14888	5.2
217.15939	4.7
225.16327	3.2
227.17972	8.4
252.92470	2.9
267.21088	10.2
285.22147	26.9
290.58051	3.0
303.23239	15.3
465.28528	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	465.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	8.0
55.01851	6.7
55.05506	26.1
57.03433	16.2
61.02947	8.7
67.05523	41.2
69.03458	39.0
69.07066	18.9
69.47928	13.7
69.48342	32.9
71.04985	8.4
79.05481	38.1
81.03407	23.5
81.07060	70.8
83.04980	15.1
83.08589	12.1
84.62400	6.5
85.02888	23.4
85.78958	8.2
91.05478	38.7
93.07060	98.5
95.04980	24.5
95.08617	100.0
97.02887	18.4
97.06556	13.7
97.10158	8.8
99.04468	18.5
104.36769	6.7
105.07038	69.8
107.08620	68.5
109.06486	9.0
109.10157	44.2
111.04437	11.8
113.06002	8.5
117.07019	15.8
119.08608	75.3
121.06509	11.6
121.10158	57.7
123.04423	8.7
123.08060	14.5
123.11735	17.5
129.06999	13.1
131.08583	31.2
133.10146	52.1
135.08052	18.4
135.11694	35.4
137.09659	7.6
143.08556	14.8
145.04889	7.1
145.10129	49.1
147.11705	43.9
149.09590	13.1
149.13290	25.0
155.08537	12.1
157.10159	28.0
159.11693	42.2
161.09706	12.4
161.13255	27.0
163.14839	17.6
167.08571	7.8
169.10101	14.1
171.11713	30.1
173.09653	8.5
173.13283	38.2
175.11197	8.1
175.14861	18.2
183.11755	18.3
185.13275	24.0
187.14778	26.7
189.12729	13.4
189.16325	9.5
197.13277	17.0
199.14865	10.0
201.16377	10.8
209.13368	12.9
213.12752	9.0
213.16432	13.1
215.14165	10.3
215.17928	7.5
219.11713	7.1
225.16412	13.4
255.21053	12.1
257.22610	11.0
270.05606	7.3
301.21866	10.0
303.23206	14.7
313.21545	12.3
315.23093	9.0
327.16821	6.7
327.23056	7.6
343.22156	9.7
368.79007	7.0
393.24066	11.3
411.25308	29.3
429.26480	37.6
447.27228	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12750	0.5
52.68719	0.5
53.03945	0.8
55.05518	4.1
56.05035	1.6
67.05499	0.6
69.03468	0.8
69.07075	1.9
69.44219	1.2
69.44617	3.2
70.06594	5.9
71.56103	0.5
72.08160	49.4
74.06093	0.6
75.05603	3.1
81.03416	0.6
81.07071	0.9
84.04516	4.1
84.08155	5.7
85.02905	1.1
85.08493	0.7
86.09711	67.6
87.10049	1.7
91.05514	1.2
93.07077	1.3
95.05027	0.6
95.08557	0.5
97.06540	0.7
102.05531	1.2
103.05490	2.9
110.07173	0.7
112.08734	0.5
113.07166	0.7
115.08733	0.6
116.07127	0.6
120.08115	100.0
121.08469	1.4
121.10169	0.7
129.10252	1.9
132.10210	0.9
136.07602	1.3
141.06598	0.7
148.06030	0.6
152.03424	1.0
157.13356	0.7
169.06180	1.1
177.10182	0.8
186.08786	3.5
187.09019	1.3
187.10817	1.3
191.11760	1.0
205.09941	1.0
205.11855	14.3
205.13698	1.0
219.11336	0.7
219.14946	3.7
222.15747	0.7
233.16496	29.6
235.10849	0.6
247.14626	3.0
249.12415	0.5
261.16010	36.2
263.10306	1.1
265.20651	0.5
277.11868	0.6
285.12595	0.5
295.74780	0.7
303.05020	2.7
312.56305	0.6
315.20605	0.6
352.18735	0.9
360.22791	2.0
392.68402	0.5
465.17108	1.1
465.22946	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1032
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.17266	0.2
65.03932	0.2
66.96582	0.1
68.99792	0.5
69.03445	0.2
81.03403	0.3
85.02892	0.2
93.03426	0.5
95.04939	0.3
98.21642	0.2
109.02885	0.7
111.00822	1.0
115.21699	0.1
120.08089	0.2
121.02857	1.1
123.04407	0.4
127.03996	0.2
131.73146	0.1
135.04430	0.3
137.02347	3.9
137.03397	0.3
145.06499	0.3
149.02359	0.5
152.32574	0.1
153.01834	4.8
155.04909	0.3
161.06024	0.4
163.03880	0.6
165.01851	2.5
166.02612	0.3
171.40701	0.2
173.05984	0.5
183.02905	1.0
183.04382	0.3
187.03926	0.6
191.03481	0.2
195.02895	0.4
201.05479	2.4
205.04800	0.2
208.24258	0.2
211.03940	0.2
219.06563	0.3
228.04300	0.3
228.98544	0.2
229.04970	5.2
239.03445	0.2
247.05930	0.7
257.04459	3.3
274.04828	0.9
275.05496	0.2
277.99060	0.2
285.03967	1.6
300.19867	0.2
303.04993	100.0
304.05289	1.7
385.92474	0.2
465.10397	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1029
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.66023	0.5
53.12068	0.5
57.03439	0.8
61.02934	3.5
64.43201	0.5
68.99786	0.9
69.03426	1.8
70.06581	1.8
70.67873	1.5
72.08141	0.6
72.81752	0.6
73.02925	1.2
73.88692	0.4
81.03414	1.5
84.08161	0.6
85.02908	7.1
86.09699	1.8
91.03944	1.4
95.06104	1.0
97.02914	3.2
99.04465	0.6
99.94968	0.5
103.78648	0.5
109.02859	0.9
111.00797	1.1
120.08080	1.3
121.02879	1.3
123.04435	0.5
127.03922	1.6
137.02364	3.1
138.06596	1.3
140.74554	0.5
145.04965	1.3
152.30811	0.5
153.01834	4.6
165.01918	2.5
166.02776	0.6
183.02916	0.8
201.05467	1.6
220.15044	1.0
229.04945	4.5
229.15469	1.6
229.65678	0.8
238.15979	2.6
238.66200	1.7
257.04568	2.9
261.58777	0.6
285.03946	1.4
303.04999	100.0
304.05365	1.6
327.52039	0.5
357.14642	0.6
382.57111	0.6
487.29306	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96350	1.5
53.03947	4.0
54.79596	1.5
55.01872	2.4
55.05505	5.9
56.05037	2.5
57.03418	1.8
60.04537	3.7
66.44818	1.5
67.05502	6.8
68.05026	3.5
69.03429	6.1
69.07053	3.9
70.06600	8.4
71.05001	2.1
71.49265	1.5
71.49650	2.4
72.08151	4.5
79.05510	6.1
80.05026	2.1
81.03429	9.8
81.07072	14.4
83.04985	2.8
83.08618	1.9
84.04517	58.0
84.08135	5.7
85.02903	6.0
86.09725	2.2
88.03962	1.5
91.05480	6.0
93.07054	8.0
95.04962	3.9
95.06120	1.7
95.08635	8.9
96.04508	21.8
97.02927	8.0
97.06532	2.5
98.06078	13.3
99.04478	1.7
101.32005	1.4
105.07023	6.9
106.62231	1.6
107.04969	3.6
107.08601	5.2
108.04490	2.3
109.02885	6.9
109.10149	3.8
110.06052	1.7
114.05492	1.6
117.06981	3.3
119.08594	6.1
120.08092	2.2
121.10136	4.9
123.04475	2.8
126.05534	66.9
127.03964	3.6
131.08607	2.0
133.10147	4.3
135.08037	3.8
135.11702	3.2
135.15616	1.5
136.06197	8.2
138.05527	100.0
139.05885	1.9
144.06590	21.3
145.10135	4.8
147.11728	2.9
148.18636	1.6
149.13210	1.5
155.08434	1.7
159.11714	1.9
161.13405	1.8
167.03574	1.6
168.06573	28.4
177.00900	3.0
186.07648	38.6
204.08702	16.4
211.67896	1.6
227.17999	1.7
235.47939	1.7
283.92349	7.3
293.21066	1.8
303.23221	2.0
428.26385	10.9
432.96982	6.0
446.27185	5.0
452.30246	1.8
463.96957	7.8
464.27460	4.2
465.24713	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	464.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01857	1.0
67.01861	2.4
67.05508	2.3
68.05033	2.8
69.03432	43.9
70.06608	1.6
70.81061	3.2
71.04993	3.5
73.02902	3.0
75.91098	1.2
80.05024	1.2
81.03428	10.8
82.06548	1.1
84.04499	3.0
84.08125	1.1
85.02913	15.3
86.09677	1.3
94.06556	8.0
95.04967	6.6
96.04488	2.2
97.02908	6.7
98.06077	2.2
99.04459	34.9
103.80393	1.0
109.02885	6.2
110.06041	3.0
111.04427	1.6
111.06821	1.1
112.03979	18.7
112.07602	3.3
113.02386	6.5
114.05544	4.7
120.08129	1.3
122.06029	4.1
123.04448	15.8
127.03926	100.0
128.07126	1.7
136.07637	1.4
140.07076	51.7
141.05473	1.5
145.04965	13.1
158.06874	2.3
158.08136	34.9
170.08136	6.4
176.09190	38.8
188.09233	7.4
199.05991	2.6
218.10182	2.4
242.10054	1.4
271.08072	5.3
289.09314	2.8
296.51813	1.1
302.12338	13.5
396.01941	1.1
428.15594	4.0
446.16672	5.1
463.96902	1.2
464.11349	1.9
464.17651	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.3
54.53638	0.8
55.01880	1.4
57.03429	2.3
61.02919	3.4
67.05508	1.0
68.05038	2.0
69.03436	11.4
69.34935	5.2
69.35365	2.4
70.06562	1.2
73.02903	0.9
73.87122	0.9
81.03418	3.1
81.95178	0.9
82.06590	4.3
84.04487	1.0
85.02910	22.0
87.04462	2.2
90.06828	0.8
91.03960	1.1
93.22782	1.0
94.06567	1.2
95.05031	1.2
97.02917	6.9
98.06065	2.6
99.04459	7.0
104.93208	0.8
106.06581	0.8
109.02868	2.5
110.06075	4.3
111.06828	2.6
112.07595	0.8
115.96283	0.8
123.04413	1.1
124.74371	0.8
127.03924	13.6
128.06122	1.2
128.07091	25.2
130.05006	2.7
142.08633	1.0
145.04977	21.3
152.07080	1.7
152.68462	0.8
158.08102	1.2
159.16203	0.8
170.08139	42.5
188.09186	46.0
189.09338	0.8
194.63231	0.9
201.00848	0.9
205.60674	0.8
210.07585	1.0
224.09166	0.9
242.10257	13.2
243.40384	0.8
270.09750	2.3
284.11212	3.3
302.12369	100.0
464.17581	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	463.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	5.9
56.53892	1.2
57.07079	45.5
59.05005	100.0
66.82772	1.5
67.05511	3.4
68.05183	1.3
68.25579	1.2
69.07081	10.7
69.23411	1.2
70.56956	4.0
71.08636	35.7
73.06564	6.5
81.07072	7.3
83.08624	10.0
85.10191	22.2
85.80583	1.5
87.04501	2.4
89.06041	43.3
91.05483	2.4
93.07064	2.6
95.08597	4.6
97.10168	8.9
99.11750	2.6
103.07589	68.9
107.08603	2.5
109.10125	2.0
111.11707	2.6
113.13284	1.6
117.09109	2.7
119.08630	1.7
121.10171	1.8
121.23467	1.7
123.08067	2.2
133.08612	14.1
133.10150	2.3
135.08093	2.3
135.11676	1.7
137.05942	1.8
139.07559	1.4
141.16362	1.6
147.10175	16.2
147.11388	1.6
147.11653	1.2
149.05937	1.6
159.11563	1.9
161.13257	1.8
177.11263	3.6
231.17305	1.5
253.16519	3.0
276.45032	1.5
389.30722	1.6
445.36740	3.1
463.96579	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	464.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
53.16685	0.7
55.01868	1.5
56.05035	1.7
57.03449	3.2
59.54806	0.7
61.02937	3.3
62.34865	0.6
68.05036	4.6
68.05340	0.7
69.03432	16.0
70.06591	1.8
70.88723	1.4
70.89046	0.7
71.04990	1.4
72.08167	0.9
73.02913	0.8
78.48495	0.9
80.05011	1.2
81.03445	3.5
81.07059	0.6
82.06583	5.7
84.04496	1.3
84.08144	0.9
85.02914	21.1
86.09706	4.0
87.04450	2.8
87.05601	0.9
91.03937	1.2
91.59171	0.7
93.03410	0.8
94.06542	1.2
95.04945	2.5
96.08120	1.2
97.02911	9.1
98.06055	2.8
99.04468	8.3
100.95324	0.7
104.05337	2.6
106.06546	1.5
109.02883	2.5
110.06063	3.4
111.06845	4.7
112.07590	1.5
113.02364	2.2
115.03900	1.9
121.02879	1.2
123.04430	1.7
124.07618	1.4
127.02983	1.1
127.03926	21.8
128.07085	11.6
130.04980	2.0
133.06100	2.2
135.11804	0.9
137.02345	1.8
142.08633	1.7
143.06224	0.9
143.08208	0.9
144.06567	1.8
145.04974	26.7
151.96089	0.7
152.07056	2.8
153.01842	2.9
158.08148	2.0
163.03993	0.9
170.08141	65.8
174.63065	0.8
183.02922	1.0
188.09196	29.6
201.05467	1.0
207.68359	0.8
210.07672	1.1
224.09180	2.0
229.04961	4.9
238.10809	1.8
242.10257	20.8
257.04575	1.6
257.07312	0.8
270.09695	1.6
284.11371	2.6
285.04068	0.8
295.10376	0.8
302.12360	100.0
303.05017	56.8
303.12601	2.7
332.13309	2.1
379.04562	0.6
464.17609	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	463.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	25.4
57.07086	31.9
58.60818	3.9
58.69039	4.3
67.05518	23.4
69.07074	47.2
70.10119	10.9
70.10533	7.1
71.08635	24.0
79.05470	14.1
81.07050	33.5
83.08630	26.8
85.10158	13.9
89.06047	9.8
91.05471	11.5
93.07042	19.7
95.08597	20.0
97.10180	18.9
98.21362	4.0
98.98438	4.1
105.07052	9.4
107.08586	16.4
109.06516	8.4
109.10143	17.6
111.08067	7.5
111.11703	8.5
119.08562	11.2
120.76509	3.7
121.06499	5.2
121.10125	10.7
123.08066	5.9
123.11720	4.4
125.05979	15.2
131.08525	8.3
133.10130	11.4
137.06010	27.2
139.07558	48.2
145.10083	7.6
147.11676	5.9
149.05914	6.2
149.09648	8.8
149.13271	8.5
151.07538	19.9
151.17679	4.1
155.73682	4.0
163.07448	3.8
165.05458	16.9
165.09102	9.5
167.06987	5.7
173.13281	4.6
175.11165	6.3
177.09129	100.0
177.10669	5.8
179.07028	16.0
181.08586	7.1
193.08633	12.1
203.10678	6.4
204.84271	4.1
277.21735	4.7
289.28830	5.0
307.29797	5.6
399.36130	16.8
403.35690	27.1
417.37186	18.2
427.35587	17.6
445.36725	50.0
463.38928	20.6
463.96567	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	463.3783
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.05312	1.2
55.05516	13.8
57.03432	1.0
57.06797	1.6
57.07081	29.7
67.05511	9.8
69.07070	21.8
71.08640	22.2
71.51246	2.0
79.05497	4.1
81.07057	17.3
83.08624	12.7
85.10196	12.3
91.05494	4.3
93.07060	8.0
95.04984	2.2
95.08608	15.2
97.06528	4.7
97.10172	11.6
99.04454	3.8
105.07033	7.3
107.04944	1.4
107.08606	7.3
109.06528	13.3
109.10153	8.3
111.08098	2.9
111.11731	6.0
113.00039	9.4
115.17256	1.3
119.08612	4.2
121.06474	1.7
121.10176	3.4
123.08090	12.3
123.11707	3.6
125.06020	14.3
125.09624	2.0
125.13276	1.9
127.07567	45.3
131.08592	2.8
133.10176	2.7
135.08072	2.5
135.11710	2.4
137.05969	4.6
137.09625	2.5
137.13263	1.4
139.07550	100.0
145.10164	2.3
147.08124	1.7
149.05972	3.4
149.09645	3.2
151.07579	5.7
151.11143	2.7
153.09108	1.9
161.13293	2.1
163.07556	1.5
163.11295	1.3
165.09108	3.1
167.07065	4.8
169.02606	8.5
169.08455	1.3
173.13290	1.5
175.11220	2.3
177.09122	13.2
179.10670	1.3
189.12759	1.8
203.14265	1.5
217.15846	1.3
221.11700	1.6
261.18155	1.1
273.18277	1.4
301.28946	5.9
319.30029	13.1
347.33023	15.6
373.31033	4.8
385.34213	1.5
399.36060	3.5
403.35690	1.8
417.37238	20.5
427.35928	2.0
442.34381	1.2
445.36890	37.8
463.31775	2.4
463.37872	30.7
463.96829	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	463.3785
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
53.03928	1.3
55.05518	18.1
57.07082	36.2
59.89338	1.2
67.05525	8.1
69.07076	26.4
71.04999	1.9
71.08636	29.2
71.51381	1.9
79.05484	8.3
81.07064	22.3
83.08625	18.6
85.10179	15.3
91.05482	5.4
93.07039	11.1
95.05014	2.0
95.08615	17.5
97.06538	2.7
97.10182	11.5
99.04459	4.1
105.07036	8.5
107.08601	5.0
109.06532	12.3
109.10142	10.1
111.08115	3.1
111.11726	4.6
113.00040	2.3
119.08604	6.3
121.06517	2.7
121.10146	6.0
123.08066	11.6
123.11705	4.6
125.06007	16.3
125.09692	2.1
127.03896	1.4
127.07569	38.3
131.08577	3.2
133.10095	3.7
135.08112	2.4
135.11734	2.2
135.97444	1.4
137.05971	8.3
137.09612	5.3
139.07549	100.0
141.27129	1.4
145.10124	1.8
147.11671	3.9
149.05997	4.3
149.09602	3.4
149.13251	3.2
151.07536	8.2
151.11147	2.0
153.09149	1.4
161.09621	2.4
161.13327	2.6
163.07590	3.4
163.11078	1.6
165.09079	3.9
167.06976	4.5
173.13318	1.8
175.14748	1.3
177.09119	16.1
179.10728	1.9
185.13429	1.4
187.11128	1.6
189.12770	2.9
203.14340	1.5
207.13786	2.8
219.13875	1.4
235.16945	2.3
247.16895	1.6
263.20016	1.9
301.28967	6.0
319.29962	13.4
327.23254	1.9
347.33084	12.3
373.31030	5.2
385.34589	1.9
389.37900	1.6
399.36020	2.2
403.35382	5.0
417.37296	14.9
422.50006	1.5
427.35678	4.2
445.36871	46.0
463.38110	31.9
463.96765	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	463.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	12.9
55.01877	20.4
55.05518	10.4
57.03432	3.6
63.43251	1.3
65.03929	4.1
67.05511	58.3
67.74168	1.1
69.03419	5.1
69.07072	10.9
69.44871	10.0
70.06586	2.0
71.01353	1.3
71.04984	5.7
73.02889	1.3
75.01147	1.2
77.03925	1.5
79.05499	100.0
81.03423	24.0
81.07066	41.2
83.04982	15.1
83.08619	3.9
84.08153	1.5
85.02903	3.7
85.06535	5.3
86.09704	3.1
91.05489	64.1
93.03398	1.6
93.07052	70.4
95.01363	6.3
95.01929	1.2
95.04975	21.9
95.08616	14.4
97.02885	5.3
97.06540	15.5
97.10189	2.7
99.04462	6.1
103.05476	4.0
105.04499	3.0
105.07047	17.6
107.04964	97.9
107.08601	55.2
109.02887	2.6
109.06510	9.4
109.10181	2.6
111.04456	5.6
111.08117	2.4
115.05454	8.9
117.07028	65.1
118.07278	1.2
119.04935	4.0
119.06104	1.5
119.08602	15.8
121.06502	19.1
121.10148	33.9
123.04404	4.2
123.08032	1.7
125.06006	2.7
125.09625	11.9
129.07014	5.5
130.07800	4.8
131.04939	7.1
131.08595	11.9
132.05685	1.8
133.06503	2.1
133.10143	2.7
135.08067	92.4
135.11687	29.8
137.05969	1.4
142.07788	1.6
143.08670	3.0
144.05693	1.7
145.06502	31.2
145.09065	2.0
145.10146	37.6
147.08092	3.1
149.06088	1.4
149.09642	7.2
153.07124	1.5
153.09126	17.6
153.12759	1.7
155.06067	3.0
155.08565	14.6
163.07559	52.7
163.11191	44.5
165.09119	2.7
167.08566	1.4
173.09637	37.7
181.08615	15.4
181.10051	2.0
181.12202	8.1
191.10675	18.4
199.09657	26.0
209.11726	18.8
227.12801	18.9
237.11241	32.5
255.12343	4.9
265.14368	59.0
266.14532	1.9
273.11816	1.7
283.15494	7.8
297.18445	1.5
315.19357	1.7
325.17947	4.5
348.78012	1.4
357.16803	3.2
417.22919	3.4
430.55573	1.4
445.22092	8.4
463.23236	52.2
464.23480	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	463.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31160	5.5
51.80912	5.7
53.03944	17.3
55.01878	33.1
55.05512	16.5
56.05027	6.7
57.03436	34.4
59.05002	5.6
61.02935	88.8
65.81545	6.6
67.05510	76.8
69.01482	7.0
69.03442	45.3
69.07053	20.3
70.06324	5.7
70.06609	58.7
71.01352	10.1
71.05003	7.9
71.06924	14.2
71.07279	8.0
72.08146	36.6
73.02914	48.5
74.06036	6.9
79.05499	46.6
81.03411	45.9
81.07048	39.0
83.04993	40.5
83.08633	5.8
84.04495	18.6
84.08136	36.8
84.80156	6.0
85.02908	100.0
85.06544	9.1
86.09706	64.0
87.04459	20.4
91.03961	52.1
91.05473	44.9
93.07049	59.8
95.04961	28.1
95.08604	19.8
97.02902	93.3
97.06516	29.7
99.04446	15.4
101.02375	23.4
103.03926	9.6
105.07036	17.0
107.04948	79.7
107.08588	34.8
108.85732	5.5
109.02897	30.8
109.06521	10.5
109.10151	16.7
109.39802	5.5
111.04428	46.1
111.08081	8.8
115.03958	9.2
117.07031	13.3
119.08591	19.5
120.08122	18.2
121.10139	55.2
123.04438	7.3
127.03887	33.0
129.07013	7.2
129.10262	17.8
129.34700	7.6
131.08534	13.1
135.11694	48.2
136.07532	11.6
144.19745	7.0
145.04997	12.7
145.06432	13.0
145.10107	54.1
147.11623	7.3
149.09633	9.2
153.12756	16.1
155.06105	5.6
155.08527	9.1
163.11197	91.1
165.85385	6.5
172.07613	11.6
173.09724	36.2
174.04669	7.7
181.12259	43.6
183.06508	8.4
191.10663	94.0
193.12206	7.9
197.41400	5.9
209.11700	53.8
213.10234	21.1
225.10242	9.6
227.12811	43.8
243.11259	11.9
265.14349	47.0
283.15311	43.8
289.11777	21.5
301.16455	95.8
307.15369	9.1
325.16656	6.8
370.25671	6.9
409.18375	10.3
463.16745	24.4
463.22360	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	463.1237
Annotation	Kaempferide 3-glucoside
Peak:m/z	Relative Intensity
55.05495	0.2
55.58392	0.2
63.86058	0.2
70.06583	0.3
71.30019	0.2
71.30331	0.2
72.08136	0.4
83.05004	0.2
84.08130	0.3
85.02924	0.2
86.09686	0.5
95.06083	0.2
95.69698	0.2
104.20114	0.2
120.08126	0.2
136.07518	0.2
146.40114	0.2
153.01817	0.3
168.00531	0.4
229.04953	0.5
258.05252	15.9
259.05676	0.4
286.04730	38.5
287.05051	0.8
301.07077	100.0
302.07404	1.8
463.12445	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0879
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
53.03934	0.3
55.01860	0.4
55.05511	0.6
57.03444	1.4
61.01125	0.3
61.02916	0.2
67.05507	0.4
68.99786	1.0
69.03426	1.0
69.07071	0.3
70.06600	5.1
70.71864	0.8
71.01363	2.0
72.08157	2.5
73.02931	2.9
75.04509	0.4
79.05473	0.5
81.03410	0.5
81.07043	0.5
83.01309	0.4
84.04502	1.2
84.07733	0.3
84.08155	2.1
85.02914	8.6
86.09715	3.4
91.05488	0.6
93.07066	0.5
93.28027	0.3
95.01338	1.0
95.04979	0.3
95.06078	0.5
95.08601	0.3
97.02888	0.8
97.06516	0.5
98.06076	0.3
99.00805	0.4
101.02407	0.3
102.05528	0.4
103.03960	0.8
103.05479	0.3
105.03427	0.4
105.07026	0.4
107.04949	0.6
107.08601	0.4
109.02914	0.5
109.10161	0.3
110.07165	0.4
111.00818	0.8
111.04428	0.4
112.08784	0.3
113.02369	3.9
116.07103	0.6
118.06872	1.0
119.04944	0.3
119.08580	0.4
120.08128	1.4
121.02879	3.3
121.06494	0.5
126.05542	0.6
127.03945	0.5
129.07089	0.2
129.10266	0.9
131.03426	1.9
133.02887	0.5
135.04459	0.2
135.08073	0.3
136.06168	0.3
136.07628	0.4
137.02351	0.9
138.05502	0.9
138.06520	0.4
141.01843	1.7
145.10007	0.2
147.04443	1.2
153.01848	5.1
159.02931	1.6
159.09146	0.4
165.01865	1.6
171.04376	0.4
183.02936	1.0
185.05954	0.4
185.13345	0.3
203.07066	0.3
213.05540	1.5
231.06543	0.8
233.84245	0.2
241.04936	0.8
258.05258	1.7
259.06006	0.3
275.21545	0.2
286.04776	0.6
287.05524	100.0
288.05801	2.1
301.06982	1.0
301.15927	0.3
304.65228	0.3
319.06653	0.3
352.07947	0.3
463.20239	0.4
463.27271	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.0
56.05046	1.8
58.06586	2.2
59.20173	1.3
60.04529	1.7
67.05495	1.4
69.03434	5.2
69.07065	2.9
69.36589	5.0
69.37017	4.5
69.53490	1.1
70.06598	15.5
71.06931	1.2
72.08167	38.4
73.08488	5.5
73.52367	1.5
74.06095	2.6
76.76879	1.4
79.05499	1.2
79.60828	1.4
84.04512	5.4
84.05789	1.2
84.08154	14.8
85.02924	9.5
86.09715	42.4
87.04474	2.4
87.10036	10.4
88.03983	2.3
89.06039	100.0
95.04994	2.2
95.06107	1.5
97.02918	2.3
97.04155	1.2
100.89024	1.1
101.07118	1.2
102.05545	2.9
107.04974	8.0
107.07106	1.8
110.07167	1.3
110.09703	1.7
112.11281	1.9
114.05503	1.3
117.48469	1.2
120.08121	2.7
121.06504	1.8
127.03905	2.3
127.08718	2.7
128.07135	1.7
129.10260	7.0
129.13945	1.8
130.05014	1.6
133.08620	40.4
135.04449	1.4
142.08650	4.9
143.08987	2.1
159.11314	1.9
163.03873	3.3
164.56610	1.2
173.12921	2.7
177.11238	17.9
183.11450	1.5
187.10815	9.5
188.11143	7.8
195.12341	2.7
200.08383	1.6
201.12450	3.2
202.12732	1.7
215.10353	4.8
216.10681	3.3
217.06027	1.6
221.14014	1.4
229.12022	1.5
230.12035	1.4
239.07225	1.3
239.14946	2.1
243.13408	2.0
244.13528	1.5
247.12881	7.7
248.13271	6.7
283.13580	3.9
283.17545	88.4
300.15826	1.4
462.20816	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	462.2129
Annotation	Glucoerysodine
Peak:m/z	Relative Intensity
53.03947	1.6
53.79599	0.6
55.01865	0.6
55.05524	0.8
56.05039	0.8
57.03436	1.2
60.04522	1.1
61.02924	1.6
69.03085	0.7
69.03435	5.9
70.06593	6.9
70.08724	2.3
71.50412	0.5
72.08160	8.0
73.02921	0.6
79.05499	0.9
81.03420	1.8
81.99989	0.5
84.04518	2.6
84.08143	4.2
85.02914	7.8
86.09715	9.5
87.04468	0.9
87.05610	0.7
87.10046	2.5
91.05486	1.7
95.04967	0.8
97.02879	3.3
99.04492	0.9
100.72918	0.6
101.07173	0.6
102.05579	1.0
103.05490	1.6
107.04964	100.0
109.02871	1.3
110.07165	0.7
112.11263	0.7
115.08743	0.8
116.07078	3.4
117.03413	0.7
117.07024	1.9
119.04985	1.3
120.08113	18.2
121.06512	3.6
124.05293	0.8
127.03948	2.6
127.08688	0.7
129.07004	0.7
129.10242	2.0
131.04927	1.3
133.06509	0.7
135.04475	0.6
136.05215	1.2
136.07582	0.7
137.05995	0.7
144.05734	0.9
145.02852	2.3
145.05202	0.9
145.06499	14.2
146.03207	1.3
146.07217	0.9
147.04419	2.3
150.06737	1.0
151.07556	10.8
155.06062	1.7
158.07278	6.3
159.04498	1.6
159.08083	1.6
161.05937	0.8
163.03954	0.9
165.09111	2.9
165.10298	2.5
174.06770	10.4
174.09088	0.6
175.07420	0.7
176.08383	1.5
177.05539	3.0
177.09099	4.2
178.05908	0.8
187.10817	2.0
189.09128	20.4
190.09988	0.7
192.10257	3.7
214.08464	0.6
221.09669	0.8
225.09352	0.5
237.09123	3.4
242.08376	0.7
251.10692	1.5
252.11475	11.7
253.08672	1.2
254.09377	0.7
259.10785	1.0
268.10968	7.8
271.13510	0.6
276.13428	3.9
283.13312	53.7
284.13681	1.3
300.15961	29.5
301.16461	0.8
347.17044	1.5
395.19409	0.9
445.18500	1.2
462.21271	68.6
463.21445	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	461.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.7
55.01878	3.1
55.05514	22.7
57.03434	4.7
57.07078	1.7
59.04998	2.8
65.03940	2.6
67.05509	100.0
69.07072	10.3
70.06593	1.8
71.04987	4.2
71.50419	1.6
77.03944	1.9
79.05497	47.7
81.03419	1.8
81.07060	43.0
83.04995	3.1
83.08624	12.6
85.06548	3.6
91.05488	30.4
93.07048	47.6
95.05000	6.2
95.08611	24.0
97.06541	3.5
97.10180	4.0
99.08112	3.4
103.05465	1.7
103.72058	1.1
105.04523	2.0
105.07041	24.3
107.04952	1.4
107.08601	17.2
109.06535	2.8
109.10164	60.6
110.10508	1.1
111.08109	4.0
117.07037	9.0
119.08589	24.2
119.27892	1.2
121.10149	27.9
123.08083	2.6
123.11698	2.2
125.09638	4.4
128.06252	1.7
129.06992	4.4
130.07759	1.6
131.08574	14.3
133.10143	18.8
135.08052	1.5
135.11691	8.3
137.09633	3.7
141.07025	1.8
143.08585	8.2
145.10126	18.8
147.11711	11.2
149.09654	2.1
149.13306	4.4
155.08585	3.3
155.10692	4.0
157.10156	7.4
159.11694	14.9
161.13275	5.2
169.10153	4.8
171.11699	6.1
173.11757	13.8
173.13280	8.8
181.10237	1.3
183.11717	5.1
184.07338	2.1
185.13257	5.3
187.14870	3.0
195.11697	1.4
197.13242	3.7
199.14841	2.5
201.16348	1.3
211.14931	1.9
213.16467	3.6
215.18007	6.4
217.15933	1.4
223.14926	1.0
225.16440	1.3
227.18002	2.9
229.14343	5.1
233.18988	2.5
239.17943	2.7
257.19028	1.9
285.22293	1.3
289.21561	1.7
349.23767	3.4
351.26801	10.0
363.25369	3.3
369.24060	2.0
369.27930	18.7
387.29144	2.1
406.40228	1.3
443.31812	14.4
461.26721	21.9
461.32620	83.5
462.26904	1.7
462.33014	2.1
489.64786	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58073	0.4
54.07299	0.5
55.05519	3.8
59.30111	0.5
70.02972	0.5
70.06580	0.5
70.53088	1.1
72.08160	33.3
75.64494	0.5
82.06594	3.2
84.08144	1.0
86.09711	100.0
86.35175	0.6
87.10027	0.7
88.03998	5.1
96.08150	1.9
98.02422	2.2
98.09715	0.5
99.09222	1.3
124.07594	2.0
127.08692	9.9
128.07123	1.8
134.04532	1.2
142.08646	13.3
142.09752	0.7
152.07053	0.8
159.01669	0.5
163.03928	0.6
169.09712	3.1
170.08128	1.3
185.16287	0.5
187.10791	48.3
188.11133	0.6
197.28793	0.5
213.16086	0.7
215.10289	32.9
217.73006	0.5
247.12915	34.1
248.13289	0.9
270.88535	0.5
283.16638	1.6
328.18677	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
55.05270	2.5
55.05513	24.8
57.03421	3.2
57.07076	2.3
65.03922	4.6
67.05503	40.0
69.03438	21.6
69.07062	16.1
69.49324	7.9
71.01338	5.5
77.03888	1.7
79.05494	24.3
81.03420	2.3
81.07059	100.0
83.04974	2.5
83.08623	9.5
85.02908	19.3
85.06519	1.6
91.05477	25.3
93.07048	55.8
95.01333	16.8
95.04974	33.5
95.08611	83.1
97.02885	5.7
97.06524	7.0
97.10163	15.8
99.00827	2.5
103.05402	2.0
105.07034	71.3
107.08595	56.4
109.06509	6.7
109.10159	46.8
109.10932	1.9
111.08060	2.6
111.11711	2.3
113.02364	3.7
117.07020	9.7
119.08585	80.1
121.06506	7.1
121.10146	46.6
121.11036	1.9
123.08082	18.2
123.11726	12.9
125.09640	3.9
129.07019	4.6
131.08575	25.0
133.10138	47.0
135.08069	5.0
135.11707	20.1
137.09619	2.6
141.01825	32.9
141.06964	2.4
142.07793	3.2
143.08559	8.5
145.10120	34.5
147.11694	43.2
149.09644	4.2
149.13269	37.6
153.05507	4.0
155.08580	5.5
156.09303	4.2
157.10147	17.7
158.10875	1.8
159.02870	2.2
159.08038	2.2
159.11700	52.6
161.09665	4.1
161.13251	30.9
163.11229	3.3
163.13568	2.7
163.14835	20.6
165.09134	8.3
168.09450	1.6
169.10152	11.2
171.11673	16.2
173.09671	1.8
173.13287	29.7
175.11198	6.9
175.14835	12.3
177.12712	3.1
179.08591	1.8
181.10175	2.5
183.11617	7.8
185.13229	14.6
187.14828	40.0
189.12811	6.3
189.16393	77.7
189.80246	1.6
191.17928	1.9
191.92322	1.5
195.11613	3.8
197.13289	11.8
199.14738	7.6
201.12679	1.8
201.16391	15.5
203.17960	40.6
209.13258	3.8
211.14771	14.1
212.15482	1.7
213.12589	2.5
213.16391	6.7
215.14369	3.2
215.17966	5.4
223.14804	4.3
225.16359	10.3
227.14449	1.9
227.17950	18.0
229.15843	3.8
229.19536	21.1
239.17941	2.3
245.06497	7.9
255.21095	4.5
257.18936	2.1
257.19580	2.5
257.22635	40.6
265.19504	2.9
267.21063	30.9
271.08002	8.6
283.13437	1.9
283.20587	6.6
285.22113	53.0
286.22330	1.9
297.22131	2.2
303.23102	2.1
369.24149	1.8
383.96143	1.7
407.22223	1.9
415.24521	2.6
425.22760	2.2
443.24167	2.5
461.25317	63.5
462.26074	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	461.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85151	2.4
51.30080	2.3
53.00314	6.2
53.03942	7.6
55.01871	7.1
55.05519	28.5
57.03439	26.5
59.04995	8.2
60.04516	3.0
61.02931	73.0
67.05510	19.0
69.03437	31.5
69.07069	3.8
69.95018	8.2
70.06609	21.5
71.01363	6.3
71.04993	8.7
72.08153	24.5
73.02927	27.9
79.05513	16.7
81.03423	30.7
81.07058	23.0
83.04974	8.4
83.08620	18.1
84.04534	3.4
84.08150	13.1
85.02908	72.7
86.09689	21.5
87.04486	3.2
88.03973	3.0
91.03963	39.1
91.05489	37.4
93.07039	24.9
95.04984	6.8
95.08614	7.6
97.02897	69.9
97.06540	4.6
99.00824	29.9
99.04473	13.0
101.02370	15.4
102.05566	3.5
103.03958	7.2
103.05446	3.8
105.07034	20.3
107.04948	11.4
107.08591	10.2
109.02884	38.2
109.06554	3.0
109.10178	3.8
111.04398	3.9
111.08089	8.1
115.03948	7.6
116.07096	4.3
117.07040	4.4
119.08595	19.4
120.08106	16.3
121.06499	8.7
123.04491	4.0
123.08067	2.9
123.11719	3.0
127.03912	32.0
128.06215	3.2
128.21432	2.5
129.05501	8.4
129.06882	3.0
129.10268	6.5
131.08598	3.8
132.87146	2.6
133.06514	3.3
133.10129	63.6
135.04298	2.7
136.07491	3.2
137.05981	6.0
139.07529	4.2
143.08562	7.3
145.04948	6.8
147.08047	3.6
151.11194	21.0
159.06534	3.8
161.09613	36.5
168.82910	2.6
171.08072	4.3
179.10683	30.1
183.06494	5.3
189.09108	31.8
197.11705	13.3
201.07576	5.7
207.10196	14.5
207.64574	2.9
225.11227	77.9
243.12300	21.4
281.14066	3.5
299.05630	3.5
299.14932	100.0
299.18332	5.1
327.14325	4.6
375.13013	2.9
425.17850	3.1
443.19376	6.5
461.20105	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	461.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	12.2
55.01869	6.0
55.05505	2.9
57.03440	9.0
59.22696	1.5
61.02912	3.3
67.05489	4.5
67.68572	1.3
68.99794	12.0
69.03433	43.0
69.33761	13.1
71.01348	2.9
71.04988	7.5
73.02924	3.7
75.18916	1.3
79.05482	3.6
81.03423	65.0
81.07072	7.7
83.04979	5.6
85.02913	74.0
87.00846	17.2
87.04472	1.4
91.05491	2.0
93.07032	2.2
95.01272	1.5
95.04970	5.0
95.08601	6.6
97.02901	24.0
98.21504	3.5
98.75072	1.8
99.04455	22.0
103.03944	5.3
105.01894	5.0
105.07047	4.2
107.04963	2.0
107.08609	3.6
109.02891	52.5
109.10157	3.1
111.04450	6.1
113.02359	2.7
117.07010	1.8
119.08575	4.1
121.10146	5.0
123.04440	5.1
125.02351	3.2
127.03928	100.0
129.01848	4.1
131.08588	1.5
135.04437	2.3
139.03841	1.6
145.04976	5.5
147.02907	2.8
147.11687	2.0
151.03903	6.7
159.11652	1.7
161.13252	2.4
169.04973	2.8
171.02916	9.3
173.04457	2.1
173.13261	2.5
187.06044	1.7
189.03937	12.8
189.05460	3.1
213.03955	18.5
217.05090	1.6
231.05026	3.1
235.05914	3.0
255.04962	2.8
259.04590	2.0
273.15442	1.6
276.94626	1.5
339.07159	4.7
375.24109	1.6
443.08203	3.8
460.40015	2.5
461.09241	4.3
461.41412	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	461.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.9
55.01865	4.1
55.05511	4.7
57.03437	7.4
57.07060	0.9
61.02931	4.0
63.29708	0.8
65.03939	2.1
67.05506	5.6
68.99786	10.0
69.03431	42.7
69.07073	2.7
69.33221	6.2
71.01341	2.2
71.04999	9.3
72.88097	0.9
73.02924	5.4
79.05498	3.1
81.03421	63.6
81.07071	6.3
83.01364	1.6
83.04971	6.0
85.02909	71.0
87.00832	16.2
91.05481	3.4
93.07039	5.8
95.04958	5.4
95.08611	5.6
97.02895	22.7
98.20765	1.6
99.04452	19.1
100.73255	0.7
103.03940	4.0
105.01859	4.1
105.07032	3.2
107.04961	2.4
107.08598	3.7
109.02884	48.0
109.10148	4.8
111.00794	1.6
111.04425	5.2
113.02376	1.6
115.03937	1.3
117.07024	1.4
119.04930	1.1
119.08575	3.7
121.02859	1.8
121.10120	2.8
123.04427	5.4
123.11739	2.1
125.02336	1.9
127.03922	100.0
129.01828	3.5
131.08562	2.0
133.06522	0.9
133.10130	2.6
135.04390	1.1
135.11681	1.5
136.12024	0.9
139.03946	2.0
145.04973	6.2
145.10167	2.2
147.02888	1.6
147.04483	1.0
147.11674	2.7
149.02359	1.2
149.13329	1.1
151.03865	4.6
153.01843	2.4
155.03416	1.1
157.10167	1.8
159.02844	0.8
159.11723	2.7
161.06013	1.2
161.13217	1.8
163.03928	1.8
167.03389	0.9
169.05003	2.4
169.10066	1.5
171.02867	7.9
173.04510	2.1
173.13254	2.0
181.04999	1.2
185.13309	0.8
187.06032	2.8
187.14848	1.3
189.03963	13.4
189.05482	1.8
189.16512	1.3
191.03465	0.9
193.04982	2.2
195.02921	1.2
205.05171	1.1
207.06609	1.2
213.03941	17.3
215.05276	1.0
215.17859	0.8
217.04999	1.5
229.19562	1.3
231.05005	5.6
235.06068	2.4
241.03456	1.0
253.07103	1.7
255.05017	2.6
257.22705	1.6
271.08044	1.1
321.05975	1.4
339.07083	4.4
357.08258	2.1
425.06882	1.6
443.08081	4.0
460.40060	2.8
461.09332	3.5
461.41223	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	460.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.8
55.05518	10.3
56.05030	3.3
57.05805	1.4
60.04525	1.6
63.13732	0.8
69.03451	0.9
69.07071	2.2
69.95040	3.2
70.02962	10.6
70.06216	1.3
70.06595	12.3
72.08162	100.0
73.02949	1.0
73.07844	1.0
73.08504	2.6
74.06091	6.0
77.12749	0.9
84.04504	7.6
84.07693	1.6
84.08150	15.4
85.02905	1.6
86.09712	54.8
87.05597	17.0
87.10030	2.1
88.04000	23.2
91.05481	2.0
96.04515	2.9
97.04019	5.2
98.02426	13.5
98.06071	1.0
98.21441	1.1
101.07137	4.9
102.05560	2.0
113.07139	1.8
115.05053	3.2
116.07098	1.2
117.03340	0.8
118.08681	1.1
119.08195	2.1
120.08128	1.8
121.80756	0.8
124.03970	1.3
124.07610	1.0
125.03536	1.2
127.08712	1.4
129.06635	1.2
129.10258	9.1
130.05025	1.7
131.11789	1.3
132.10193	2.5
133.06094	1.1
139.05029	5.7
141.06612	2.8
141.10242	2.0
142.06111	1.5
142.08652	2.8
142.12285	1.1
143.04527	18.9
145.02864	3.2
147.04417	1.6
147.07649	3.7
148.06100	1.2
152.07089	2.9
157.06105	7.4
157.09598	1.0
158.09259	1.5
163.03873	1.4
167.04530	10.3
169.09801	2.2
171.04036	1.7
171.14919	1.5
173.12929	1.1
177.05476	3.5
183.11295	1.2
184.07207	17.2
185.05574	13.8
187.10812	6.1
187.14430	7.5
195.04079	1.8
197.09297	1.8
199.14558	1.8
200.14798	1.2
201.12352	1.5
202.08250	15.5
207.02942	2.6
208.03114	1.6
209.80963	1.0
212.06712	2.3
213.05112	3.4
214.15819	0.9
215.10245	2.2
215.13850	5.8
219.02945	3.9
220.03247	2.3
224.10374	5.4
230.07741	50.5
230.11363	2.0
231.17036	10.6
234.04895	1.2
242.15031	1.3
246.14558	3.2
260.15942	1.4
261.03970	5.1
261.14465	2.2
262.04297	5.0
262.14871	2.5
266.11389	1.2
270.10815	6.1
272.16071	2.0
273.03763	0.9
283.14017	1.7
284.12503	4.1
286.03986	1.2
292.05704	1.0
294.10974	1.2
301.14960	3.6
304.05411	1.5
311.13580	2.6
312.11923	4.6
322.06577	1.4
328.09021	1.1
329.14578	31.4
329.18448	2.0
330.12787	1.1
340.08652	1.4
356.18356	1.5
382.10031	1.8
460.31189	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	459.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	8.7
56.05025	0.4
57.05817	1.1
67.05491	0.5
69.07055	0.6
70.06603	2.7
71.06963	0.4
71.29971	0.5
72.08159	100.0
80.20885	0.3
82.06608	0.4
84.08154	1.4
86.09709	15.8
88.04020	0.6
89.06025	0.9
96.08160	0.5
98.09721	0.6
102.05513	0.4
104.73956	0.4
112.11275	0.5
120.08127	0.4
124.07637	0.6
127.08694	1.3
129.99428	0.5
141.10223	0.5
142.08667	2.4
143.11841	0.8
146.11763	15.7
152.07149	0.4
167.82649	0.4
169.09729	4.4
173.12862	0.6
187.10785	9.7
187.12347	0.6
201.08823	0.5
213.15984	0.7
215.10265	14.4
229.12407	0.4
245.18613	11.6
245.20932	0.7
268.16739	1.1
286.17807	1.4
314.17096	5.3
381.25113	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30403	0.2
53.03948	0.4
55.05516	8.4
56.05032	0.7
57.03427	0.3
57.05818	0.9
59.05004	0.4
69.07069	0.6
70.02965	0.4
70.06253	0.3
70.06602	3.8
70.06966	0.4
71.50484	0.3
72.08160	100.0
74.06081	0.5
79.05497	0.4
81.07057	0.2
82.06577	0.6
84.04520	0.6
84.08159	1.6
86.09713	15.5
86.68518	0.2
88.04008	0.9
89.06042	0.8
93.07114	0.2
95.08656	0.2
97.02905	0.3
97.06566	0.2
98.09717	0.6
110.07098	0.3
112.07533	0.2
114.78130	0.2
116.03490	0.3
120.08143	0.4
121.06450	0.2
121.10204	0.3
124.07616	0.8
127.08702	1.8
128.07077	0.3
129.10254	0.4
130.51692	0.2
133.08633	0.3
141.10252	0.5
142.08649	2.3
143.11848	0.9
146.11774	13.5
152.07097	0.5
159.09250	0.4
162.02278	0.2
163.03946	0.2
169.09741	4.2
173.12909	0.9
185.16539	0.6
187.10799	9.2
187.14493	0.3
199.05766	0.2
201.12431	0.6
213.16180	0.2
215.10294	14.8
245.18640	11.1
247.11177	0.2
249.11324	0.2
262.25818	0.2
268.16681	0.8
286.17612	1.4
296.15979	0.4
314.17120	5.3
330.92191	0.2
342.20004	0.3
360.21344	0.3
364.66693	0.2
381.25122	0.8
459.28610	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	4.3
56.05026	1.6
57.76758	0.5
59.05004	0.8
69.07079	2.0
70.06593	6.9
70.78381	1.3
72.08158	40.3
73.02922	0.7
73.06554	1.7
73.08505	0.8
74.06125	0.6
77.33864	0.4
77.34332	0.5
78.75404	0.5
79.05490	0.9
84.04510	3.6
84.08147	7.2
85.08523	0.4
86.09710	37.2
87.04472	6.5
88.03999	0.7
89.06034	100.0
93.07100	0.6
93.93196	0.6
95.04967	0.6
102.05545	2.7
107.07049	1.5
116.07088	1.1
120.08096	0.9
125.06049	0.6
129.10226	4.8
130.05080	0.6
131.07040	2.6
132.10182	1.2
133.08609	46.6
134.04507	0.6
136.07593	2.0
136.78757	0.5
142.08562	0.6
143.11768	0.6
148.06070	0.7
157.09805	0.5
158.77533	0.5
160.09738	0.7
163.03918	0.7
171.14969	2.3
175.09709	1.1
177.11232	10.2
185.16542	2.9
199.14497	1.5
199.18091	4.2
201.12328	3.3
213.15982	3.8
215.69955	0.5
221.13922	0.7
227.17545	5.3
229.11839	6.2
229.13921	0.7
231.17046	3.5
233.11337	3.5
247.12828	2.8
261.14526	1.9
319.61819	0.5
328.18863	0.6
346.19495	0.6
409.24512	0.6
458.01859	0.5
459.27731	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	459.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
55.05515	7.0
56.05038	2.1
57.05835	1.0
60.01734	0.4
60.04513	0.6
60.63857	0.4
69.03447	0.5
69.07080	1.6
70.02956	1.4
70.06597	8.6
70.29125	1.6
70.29476	0.6
72.08157	100.0
73.08501	0.6
74.06088	0.8
81.03407	0.6
83.06144	0.7
84.04505	8.4
84.08145	15.6
85.02901	2.2
85.08474	1.1
86.09708	70.0
87.05603	0.6
87.10046	0.9
88.03996	2.1
88.76773	0.4
93.03413	1.5
93.23688	0.5
95.04977	0.7
97.04021	0.4
98.02446	1.0
98.06044	0.7
99.60917	0.5
100.07594	0.9
101.07137	1.5
102.05549	3.4
107.04964	0.5
109.02874	1.1
109.06526	0.6
110.07154	1.0
112.07619	0.6
112.08738	1.5
116.07086	0.9
119.04898	0.9
121.02858	1.1
123.04418	1.0
127.08699	0.5
127.26981	0.4
129.10254	6.8
130.05003	3.4
132.10191	0.8
135.04419	0.8
136.07533	0.6
139.03914	0.5
139.08652	0.5
143.04509	1.2
143.15387	0.5
145.02893	0.5
147.04399	1.9
148.04868	0.8
148.06058	13.2
149.02327	0.6
157.06050	0.6
157.09697	0.7
159.04443	0.6
161.05969	0.5
163.03896	0.9
167.04475	0.6
171.14931	24.4
172.07256	0.6
175.03952	0.8
177.01843	1.1
177.05482	1.3
184.07274	1.0
185.05630	1.0
185.16475	6.5
187.03937	0.5
187.14407	1.1
189.01830	1.0
191.03348	0.7
195.02899	1.2
199.14427	24.0
202.08195	1.1
205.01349	1.0
207.02873	3.1
209.04156	0.5
213.16000	6.5
215.13841	0.8
219.02867	8.2
224.10135	0.5
225.03851	1.7
229.09364	0.5
230.07709	4.5
231.16982	0.8
233.04480	2.5
243.13304	1.3
245.04338	0.5
246.14468	0.5
247.12912	6.2
261.01456	0.7
261.03967	11.2
261.14462	39.8
262.14813	0.9
267.20673	1.7
270.10840	0.6
273.03879	1.8
285.03790	1.6
287.29410	0.5
291.04950	1.0
303.04999	3.0
312.22763	5.0
321.05957	2.2
327.08521	2.5
329.14542	2.3
331.17664	0.5
339.08411	3.6
360.21100	1.2
381.09595	1.7
393.09515	1.9
405.09598	0.6
423.10974	0.5
454.27695	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.5
53.37012	2.1
54.45671	2.0
55.05514	16.6
57.03426	3.3
57.07079	3.3
67.05518	19.4
69.03438	10.8
69.07080	14.1
70.06596	12.2
71.04982	3.6
71.50284	4.1
72.08161	15.1
73.02914	2.5
79.05478	8.2
81.03413	4.3
81.07067	22.4
83.04977	9.9
83.08620	7.2
84.04498	3.9
84.08146	10.1
85.02914	11.9
85.06545	4.6
86.09723	14.4
87.00814	4.0
87.13100	2.0
89.06028	5.5
91.05470	8.1
93.07047	13.4
95.04995	3.7
95.08614	36.5
97.02886	3.5
97.06532	5.1
97.10120	2.5
99.04514	2.3
99.08054	2.3
100.11269	2.6
105.07029	9.7
107.08602	25.5
109.02843	3.5
109.06535	13.1
109.10161	92.6
110.10523	2.2
111.08131	2.6
113.06003	3.3
113.09611	2.7
119.08590	43.8
120.08136	3.1
121.10155	13.7
123.08068	14.8
123.11698	7.5
127.03897	5.7
129.10226	6.6
131.08553	2.1
133.08585	4.1
133.10135	25.0
135.08046	2.4
135.11702	100.0
137.09669	12.2
143.08554	2.6
145.04962	2.6
145.10106	3.6
147.04401	9.9
149.13234	5.3
151.11209	7.6
151.14879	10.6
173.09630	2.3
175.14847	49.4
193.15894	68.6
211.16957	51.4
320.34109	2.2
327.96387	2.5
401.40884	2.8
441.33679	2.3
459.29840	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	458.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	34.8
66.42812	13.3
70.06602	15.4
79.05479	20.0
81.07052	38.5
91.05459	38.2
93.07030	39.7
95.08591	12.9
98.21617	24.5
99.04433	20.0
105.07053	100.0
106.29039	14.5
107.08588	40.4
119.08610	92.1
121.10133	47.4
131.08580	12.4
133.10146	21.5
145.10132	48.0
147.11705	73.2
157.10257	12.4
159.11693	21.4
161.13312	15.3
225.16525	19.6
261.18515	86.4
374.74982	15.0
389.26096	13.7
426.37079	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	458.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03281	5.1
53.03944	19.0
55.01855	8.2
55.05516	28.8
57.07065	7.3
60.55180	4.9
67.05514	100.0
69.03433	52.7
69.07077	27.6
69.46322	16.5
69.46744	25.2
71.04988	9.9
75.48012	6.2
79.05089	8.0
79.05502	75.1
81.03426	77.7
81.07059	90.3
82.52199	5.3
83.04967	12.8
83.08627	17.7
85.02909	45.8
91.05488	51.7
93.07053	78.1
95.04967	11.8
95.08608	63.2
97.02905	42.6
98.20798	13.3
99.04430	10.6
105.07029	44.3
107.04932	8.0
107.08618	46.6
108.04491	12.5
109.02859	25.6
109.06479	7.0
109.10175	43.7
111.04429	8.2
115.05370	5.7
117.07016	28.4
119.08627	37.0
121.06502	10.9
121.10177	46.8
123.08030	7.5
123.11699	13.6
127.03916	20.1
129.06987	13.4
131.08554	31.5
133.06467	7.7
133.10115	25.0
135.11710	25.9
143.08533	15.7
145.04961	7.2
145.06425	6.2
145.10094	25.1
147.11711	20.9
149.13252	13.9
157.10135	12.8
159.11688	19.3
161.13283	16.9
163.14862	7.3
169.10060	8.3
171.08067	12.5
173.13307	15.4
175.11192	8.2
183.11708	7.4
185.13225	9.3
187.14850	5.8
197.13322	6.0
199.11230	7.1
199.14774	6.4
201.16232	6.3
209.13373	7.0
211.13220	6.2
242.05809	5.6
259.20462	8.5
261.22107	28.3
273.21884	6.4
277.21753	9.0
287.20056	6.7
289.21686	7.2
303.23175	9.6
345.24457	6.4
369.24219	23.9
387.25348	25.3
405.26550	37.4
423.27460	7.2
441.28894	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	457.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04544	1.7
55.01863	3.1
55.05503	6.1
59.04988	4.0
65.03925	2.1
67.05515	20.4
69.03438	3.2
69.07054	8.2
70.06595	2.3
71.03522	3.5
79.05507	14.9
80.24426	1.7
81.07066	20.9
83.05001	3.1
83.08618	3.5
85.06494	2.6
91.05476	14.6
91.46892	2.2
93.07043	18.4
95.04976	5.0
95.08614	32.1
97.06536	13.3
103.05495	1.9
105.07051	19.3
107.08603	31.4
109.06506	8.2
109.10178	35.6
111.04438	2.3
111.08062	8.9
115.05410	3.1
117.07037	11.0
119.04971	2.6
119.08585	16.7
121.06508	5.8
121.10161	15.2
123.08083	4.7
123.11694	7.3
125.06020	17.1
125.09619	8.4
126.05429	2.1
126.77602	1.8
128.06161	5.0
129.07001	7.7
130.07735	2.3
131.04961	3.7
131.08563	15.2
133.10110	12.4
135.08014	4.4
135.11711	12.8
137.09619	10.3
137.13231	2.0
139.11205	4.2
141.07002	2.9
142.07770	4.8
143.08571	17.9
145.06485	16.6
145.10123	24.7
147.08038	5.0
147.11688	10.2
149.09619	4.0
149.13269	5.8
151.07523	2.1
153.09128	10.6
155.08566	24.2
155.10587	10.0
156.09258	2.6
157.06502	4.0
157.10133	16.5
158.07268	14.2
159.08023	7.0
159.11703	9.7
161.09621	7.7
161.13266	4.4
163.11137	4.4
165.06946	3.4
165.12732	2.1
167.08568	2.5
168.09294	1.8
169.10112	10.5
170.10794	2.1
171.08057	31.8
171.11714	10.3
173.09637	100.0
173.13275	6.1
175.07480	4.0
175.11221	15.8
177.12784	3.1
179.08525	3.1
181.10144	6.7
183.08000	4.2
183.11700	10.3
184.08928	2.3
185.09598	7.5
185.13232	6.8
187.11121	10.9
187.14824	3.9
189.09039	2.6
189.12697	3.1
191.10718	11.5
191.14250	2.5
192.09375	2.4
193.10085	5.0
194.10857	2.2
195.08006	2.6
195.11681	8.8
197.09557	4.5
197.13214	11.6
198.10342	3.1
199.11189	16.5
199.14810	3.2
201.12718	5.2
203.14293	2.2
205.10144	3.1
207.11707	5.8
209.09636	2.7
209.13173	5.1
211.11189	11.8
211.14799	5.0
213.12743	13.4
213.16307	3.4
213.19659	2.1
215.14357	4.7
221.13249	6.7
223.11172	6.2
223.14859	5.4
224.11894	2.4
225.12758	16.7
225.16371	3.6
227.14331	6.1
231.13832	2.7
233.13271	2.2
235.14832	3.5
237.12698	6.1
237.16379	5.1
238.17039	2.7
239.14323	11.3
239.17912	5.8
241.12260	1.9
241.15820	5.9
243.13779	4.9
245.13281	2.2
247.14787	3.4
249.16319	8.1
249.18419	3.4
251.14375	7.5
251.18153	2.4
253.15845	6.6
263.14221	4.5
265.15878	13.2
265.19214	2.2
266.16672	9.0
266.19690	1.7
267.17459	23.5
269.19089	2.9
275.17926	3.4
277.15988	2.3
279.17337	2.5
281.15396	4.5
283.16977	6.1
284.17648	2.5
285.18597	3.3
291.17300	2.1
293.18982	15.4
302.18753	3.6
307.20389	3.3
311.20026	5.0
375.26886	4.8
377.24664	2.7
379.22299	2.7
385.25101	3.8
393.28018	10.4
395.25800	5.3
403.26309	25.1
421.27402	68.0
439.28470	29.4
457.29575	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78486	4.3
53.03939	5.4
55.05508	11.4
56.91730	4.4
62.83091	5.0
65.03915	5.7
66.28380	4.7
67.05510	44.6
69.03419	6.0
69.07068	10.8
69.46188	16.5
69.46612	18.0
71.04990	4.6
72.08153	5.8
79.05499	43.1
81.07069	46.8
83.04960	7.8
83.08609	7.8
84.08149	7.6
86.09726	6.4
91.05486	39.0
93.07053	42.0
95.04945	13.2
95.08624	60.2
97.06533	29.4
105.06506	5.0
105.07049	52.7
107.08602	100.0
109.06507	22.5
109.10162	77.4
111.04417	5.6
115.05443	6.4
117.06985	15.1
119.08574	32.4
121.06443	7.3
121.10181	25.9
123.08079	79.1
123.10307	4.2
123.11640	7.3
125.05993	40.1
125.09649	74.0
128.06232	5.6
129.07021	19.7
130.07793	4.8
131.08553	22.6
133.10138	26.9
135.08041	11.7
135.11673	18.4
137.09608	13.5
142.07768	13.2
143.08575	29.1
145.06459	7.7
145.10124	46.3
147.11668	22.3
149.09648	7.2
151.07532	15.7
153.09128	32.1
155.08578	55.8
155.10655	11.9
156.09305	8.0
157.10153	70.8
158.07254	8.1
159.11711	30.7
161.09570	8.9
161.13261	11.1
163.11159	6.8
167.08525	10.1
169.08594	78.3
169.10120	23.8
171.08012	18.8
171.11745	30.9
173.09650	85.4
173.13205	11.9
175.11179	26.3
175.14771	5.0
177.12732	7.8
179.08546	5.6
181.10135	25.7
183.11710	26.8
185.09608	5.5
185.13268	14.9
187.11215	10.6
187.14751	7.5
189.12828	6.6
191.10712	10.0
193.10040	9.9
193.12346	5.4
195.11777	24.2
196.12392	5.0
197.13255	29.9
199.11201	11.8
199.14819	5.7
201.12735	5.3
201.16479	5.2
201.80946	5.0
205.10147	6.9
207.11719	20.8
209.13295	16.6
211.11244	9.1
211.14758	17.6
213.12756	9.9
213.16277	7.3
215.14346	7.6
219.11804	7.2
221.13240	19.1
223.11243	7.3
223.14886	17.9
225.12723	13.1
225.16403	7.0
227.14256	13.3
227.17960	4.9
235.14882	10.0
237.16380	9.8
238.17131	7.3
239.14406	6.6
239.17960	6.5
241.15904	8.1
247.14749	7.6
249.16428	35.0
251.14310	11.3
251.17944	27.3
253.15669	8.2
253.19533	48.7
259.16727	4.9
263.17706	5.0
265.15942	11.2
266.16690	8.0
267.17474	21.0
269.19052	9.5
271.20627	46.0
275.18005	18.3
283.17035	6.1
285.18292	5.6
289.19080	9.6
289.21854	11.0
293.18823	17.4
297.21835	5.6
302.18604	8.1
311.20029	9.4
385.25162	12.2
393.27856	7.5
403.26358	52.9
421.27405	88.8
439.28445	38.2
452.45410	4.7
457.29831	42.7
458.29291	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	457.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.5
55.05510	10.3
57.03422	2.9
61.02918	2.6
65.03943	17.9
65.37911	2.2
67.05510	100.0
69.03428	4.8
69.07064	11.2
70.06592	25.5
70.89606	8.0
71.04995	5.3
72.08167	12.6
73.02919	4.3
79.05478	22.0
81.03427	4.8
81.07072	28.4
83.04991	4.0
83.08622	4.6
84.04529	10.8
84.08158	10.5
85.02959	6.1
85.06559	3.0
86.09736	15.2
91.05486	22.0
93.07056	23.2
95.04984	41.9
95.08601	29.3
97.06522	9.0
105.07047	35.3
107.04993	5.1
107.08601	31.7
109.06536	6.3
109.10145	14.4
110.07182	3.2
116.07119	5.2
117.07056	9.8
119.08589	20.2
121.10146	16.3
123.04444	9.7
123.08062	3.7
125.05998	6.6
125.09596	3.2
128.06213	5.4
129.07028	11.3
129.10211	4.5
130.04991	4.4
131.08575	23.7
133.10133	19.7
135.08115	2.9
135.11710	4.9
137.06024	3.1
137.09694	3.5
141.06978	6.1
142.07771	7.9
143.08585	27.6
145.10136	32.2
147.07727	3.5
147.11720	10.0
151.07512	5.9
153.06982	3.3
153.09103	6.6
155.08578	38.9
156.09401	3.2
157.10138	54.5
159.11691	25.1
161.09616	4.7
161.13330	5.8
163.11205	3.5
164.84491	2.5
165.07063	3.1
165.09052	4.3
167.08589	4.4
168.09332	3.6
169.10138	21.7
171.08060	2.7
171.11739	21.4
173.09630	5.6
173.13266	8.6
175.11162	7.2
179.08606	3.6
180.09354	4.3
181.10127	15.7
182.10902	5.0
183.11711	25.2
185.13208	13.0
187.14882	4.8
189.12854	3.3
192.09406	3.1
193.10146	8.7
193.12103	2.9
194.10944	4.8
195.11768	22.3
197.13242	27.5
199.14877	12.7
207.11855	13.7
207.13605	3.8
209.13348	22.3
211.14841	13.8
213.16406	9.3
215.14293	5.5
221.13275	9.9
223.14949	16.4
225.16425	7.9
227.14252	4.3
233.13284	4.0
234.14153	3.3
235.14838	8.2
237.16331	5.3
239.18011	3.8
239.32149	2.8
241.15965	5.3
241.19577	5.6
249.16432	22.3
250.17346	3.3
251.17978	49.0
253.19681	3.5
261.16364	3.5
263.17978	6.7
267.17514	19.4
269.19034	18.2
277.19519	3.6
285.18512	28.5
287.20316	4.4
291.21082	10.6
309.22150	7.9
327.23309	4.5
357.25681	5.6
369.24167	3.9
385.25180	4.5
403.26453	28.5
421.27377	62.5
439.28439	28.9
457.29257	13.6
457.75122	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	457.1123
Annotation	Flavine mononucleotide (FMN)
Peak:m/z	Relative Intensity
53.03949	3.7
53.04142	0.7
54.79707	0.7
55.01879	1.2
55.05501	2.2
56.05027	3.6
57.03437	8.9
59.04995	4.0
60.04518	1.2
61.02925	1.0
68.05036	1.0
69.03431	17.9
69.07046	2.3
70.06597	32.8
71.04998	9.2
71.06905	1.9
71.49609	1.3
72.08159	16.1
73.02933	4.9
73.03248	0.9
73.08491	0.9
74.06058	1.7
74.39250	0.7
80.04993	1.2
81.03426	22.7
82.06584	1.4
83.06084	0.9
84.04512	6.0
84.07634	1.1
84.08144	16.5
84.40623	0.7
85.02911	2.5
85.04827	0.8
85.08462	1.2
86.09708	21.4
87.04454	1.1
88.03979	1.2
91.05461	1.7
95.06093	2.9
97.02929	1.3
98.06060	2.0
98.98477	18.7
99.04456	12.5
110.07166	3.3
111.04454	1.1
112.07631	1.1
112.11238	3.3
113.07115	1.0
115.08689	1.4
116.07130	3.8
117.05495	10.7
120.08090	2.0
123.04408	1.7
126.05492	1.0
127.03915	0.9
129.10255	7.9
130.05038	2.1
130.06480	1.7
136.07588	1.4
138.06607	1.9
140.99516	1.2
145.07605	3.3
147.04434	2.5
147.09183	1.9
155.11713	1.0
157.07599	2.1
157.13374	1.8
159.09189	4.9
163.03848	0.9
167.08264	1.0
170.07112	1.9
171.07814	1.0
171.09254	1.0
172.08716	32.0
173.07036	4.6
173.09245	1.6
173.10739	1.1
175.08679	2.8
177.05359	1.0
183.14912	1.1
184.08656	1.9
185.10724	2.1
190.09792	1.6
197.09335	0.8
197.10916	1.0
198.06625	9.0
198.10310	2.9
199.12431	1.9
199.18037	1.8
200.08217	3.9
204.10205	1.0
209.10783	1.4
210.10266	2.5
213.08827	0.8
214.09816	3.7
215.13774	0.8
216.07692	22.0
218.09294	2.3
219.07683	2.2
224.11835	2.9
225.84959	0.8
226.09921	1.0
228.11340	1.0
229.08469	2.3
231.09814	3.1
243.08794	54.5
244.07092	1.8
252.11368	1.8
260.50040	0.8
271.80014	0.8
285.09943	1.8
297.10089	1.7
316.12927	1.5
323.11423	3.0
334.09515	2.5
341.12506	9.9
359.13504	44.9
360.13791	1.7
364.69919	2.4
365.20401	0.9
377.14642	6.4
396.09708	8.1
397.08252	1.4
403.08328	1.3
414.10690	12.6
415.09357	1.2
421.09119	7.3
439.10172	100.0
440.10336	3.2
457.11176	34.3
457.24933	3.7
458.11777	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	456.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31376	4.6
55.05516	10.9
59.19179	5.2
67.05507	18.9
69.03432	13.2
69.07066	11.1
71.50833	7.4
79.05508	7.7
81.07056	16.3
83.04974	6.7
86.09715	8.2
91.05486	15.4
93.07040	13.7
95.08601	25.0
105.07033	13.1
107.04956	5.3
107.08591	29.7
109.10143	20.9
111.08087	6.8
119.08599	11.7
120.96610	11.3
121.06507	21.6
121.10133	9.7
123.08065	6.2
123.11726	15.3
125.09606	6.8
127.58186	5.6
131.08540	9.8
133.10149	11.2
135.08047	17.7
135.11705	5.1
137.09641	11.3
143.08560	13.4
145.10112	14.1
147.08076	8.8
153.09187	5.5
155.08586	51.5
159.08061	7.8
159.11690	11.5
161.09622	7.5
165.07103	7.4
167.08601	6.9
171.08102	44.9
171.11681	6.2
173.09618	15.6
175.11159	5.5
177.12761	4.9
179.08498	6.2
181.10136	16.1
183.11635	7.4
184.07368	7.1
184.75121	4.7
185.09717	5.5
193.10202	11.2
195.08011	6.4
195.11653	7.2
197.09648	13.8
199.11166	5.6
205.10127	4.9
207.11720	13.8
211.11208	12.7
223.11208	6.3
225.12737	20.4
247.14915	5.6
249.16362	9.6
263.14401	7.5
265.15927	11.9
267.17487	100.0
279.17337	7.0
291.17493	9.4
293.18903	29.3
337.27332	10.8
385.25293	19.4
403.21536	9.1
403.26382	88.7
421.27533	41.6
457.22922	6.2
472.60809	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	455.2795
Annotation	Blazeispirol Z
Peak:m/z	Relative Intensity
53.03932	6.5
55.01865	5.4
55.05499	18.4
57.03439	6.7
65.03936	6.4
67.05511	59.7
69.03442	28.5
69.07047	20.8
69.15044	8.8
69.15448	45.1
70.20021	4.7
71.04984	19.8
75.04484	4.6
79.05495	31.3
81.03455	6.7
81.07063	77.4
83.04960	15.2
83.08623	5.9
85.00098	5.2
85.02911	46.1
91.05480	44.5
93.07055	59.2
95.04954	28.1
95.08612	55.7
97.02889	5.4
97.06531	9.8
97.10185	5.3
98.21520	12.0
105.07046	52.9
107.04906	8.5
107.08597	48.6
109.06535	62.0
109.10171	69.1
111.04437	11.3
111.08067	14.6
115.05481	5.7
117.07048	12.0
119.08572	39.1
119.41613	4.9
120.08110	5.5
121.06523	35.4
121.10162	33.5
123.08046	12.1
123.11696	9.7
125.05968	7.5
125.09594	10.5
127.03934	5.9
127.07585	8.2
128.06291	8.9
129.05440	15.0
129.06993	15.3
131.08617	28.6
133.10117	21.2
135.08051	20.1
135.11700	13.8
137.09642	23.7
139.11165	5.6
141.06982	12.0
142.07880	5.5
143.08577	33.2
145.06488	15.7
145.10179	32.1
145.14139	5.4
147.08037	11.5
147.11685	15.5
149.09615	17.4
151.11195	9.8
153.07001	6.6
154.07776	7.1
155.08521	22.3
157.10109	18.8
159.08003	19.2
159.11699	18.8
161.09615	9.7
161.13272	7.3
163.11159	9.0
165.06992	9.7
166.78384	5.3
167.08565	14.1
169.06265	5.5
169.10143	21.7
171.06673	4.7
171.08057	100.0
171.11671	8.1
172.08659	5.7
173.09596	12.2
173.13266	7.6
175.11157	16.3
177.12828	5.8
178.07835	9.4
179.08546	18.5
179.14346	5.5
181.10147	30.7
183.08037	11.8
183.11661	21.9
185.09612	14.5
185.13248	14.2
187.07584	6.8
187.11272	7.0
193.10136	14.2
194.07242	6.0
194.10948	9.0
195.08034	19.3
195.11624	25.6
196.08798	10.1
196.12486	8.4
197.09656	39.7
197.13274	12.9
199.11137	19.5
205.10135	26.6
207.11606	8.5
208.08841	20.7
209.09554	28.4
209.13216	8.5
210.10361	11.5
211.11253	29.4
211.14655	6.7
213.12755	13.7
218.10896	8.4
219.11687	12.3
221.09665	34.1
221.13248	13.9
223.11208	39.9
223.14828	6.7
225.12752	29.8
230.10822	6.2
233.09576	5.5
233.13065	7.5
235.11160	14.7
235.14917	6.6
236.11876	7.8
237.12727	19.7
239.14290	28.1
241.12354	8.0
242.50545	5.0
245.13239	8.1
246.10312	7.9
247.14824	22.8
248.11935	11.8
249.12737	17.3
251.14270	19.0
257.13132	5.4
261.12665	22.8
263.14355	45.2
264.14758	5.8
265.13342	6.9
265.15903	70.9
267.17377	10.7
277.15915	9.7
281.15405	21.1
283.16910	31.6
291.17514	43.2
299.16412	53.4
301.17990	17.0
303.21094	5.1
309.18427	7.5
327.19650	7.3
373.25500	8.9
375.23257	6.5
393.24142	10.5
401.24945	25.2
419.25891	51.6
429.72235	5.4
437.26968	48.1
455.27499	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	6.8
55.48198	5.3
55.49176	4.8
67.05492	15.6
69.03428	16.7
69.07067	11.7
70.71777	8.0
70.72097	7.8
71.70419	5.4
79.05485	15.3
81.07047	23.8
91.05476	18.8
93.07046	19.3
95.04946	9.2
95.08592	24.6
102.74270	5.5
103.05439	5.9
105.07013	23.1
107.04986	5.7
107.08612	26.2
109.06494	12.1
109.10136	31.0
111.08113	6.2
119.08582	14.9
121.06529	7.3
121.10151	17.9
123.08010	7.7
123.11692	11.4
125.05988	6.4
125.09619	7.1
126.59840	5.2
128.06245	9.0
129.07010	11.7
131.08525	17.4
133.10109	15.2
135.08092	7.8
135.11717	7.9
137.09625	14.0
141.06978	8.8
142.07745	9.3
143.08553	31.0
145.10095	15.1
147.08084	10.3
147.11732	8.8
149.09630	10.0
155.08553	20.0
157.10123	21.0
159.08139	6.6
159.11650	8.4
161.09601	10.2
163.11241	6.4
165.07016	9.4
167.08615	7.6
169.10133	20.2
171.08064	100.0
171.11673	9.8
173.09700	7.4
173.13429	5.5
173.24751	5.6
173.98088	6.3
175.11189	8.9
179.08517	12.2
181.10147	14.0
182.07344	5.7
183.08018	11.0
183.11732	19.4
185.13333	5.9
193.10316	7.0
195.08034	14.0
195.11720	16.8
197.09686	37.4
197.13243	24.4
205.10210	6.8
207.11652	10.7
208.08784	9.7
209.09663	10.4
209.13292	10.8
210.10500	8.2
211.11224	18.8
213.12762	10.0
221.13242	13.0
223.11176	22.6
223.14825	7.9
225.12712	21.5
235.11148	17.2
237.16197	6.7
239.14304	18.1
247.14871	8.0
249.12653	5.9
251.14313	14.0
261.12784	8.9
263.14337	12.1
265.15869	48.5
267.17358	9.0
269.18860	5.9
276.15451	5.7
277.16003	6.7
283.16986	27.6
291.17337	40.7
309.18622	7.7
366.17029	5.6
373.25568	7.9
379.75830	5.6
401.24765	14.4
419.25839	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	455.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	9.6
57.07078	4.5
67.05190	3.2
67.05513	39.7
68.91193	2.9
69.03432	18.5
69.07062	13.6
69.96580	7.4
69.96988	9.1
71.04974	4.5
79.05504	15.3
81.07062	30.9
83.04953	4.2
83.08595	5.3
85.06552	4.4
91.05499	20.3
93.07048	25.1
95.04984	6.2
95.08611	40.5
97.06565	5.0
99.81992	3.2
105.07034	27.5
107.04941	3.6
107.08600	43.5
109.06547	16.4
109.10168	94.7
111.04449	4.6
111.08112	15.3
113.05968	6.3
115.05483	6.0
117.07037	7.0
119.08599	22.5
121.06520	21.9
121.10156	24.7
123.08031	6.7
123.11740	19.4
125.05997	10.5
125.09653	19.9
126.67148	3.3
128.06187	8.9
129.06982	8.2
130.07838	3.5
131.08556	19.7
133.06456	4.9
133.10143	15.3
135.04451	4.4
135.08060	9.6
135.11696	21.2
137.09625	25.6
139.07558	10.1
139.11130	5.1
141.07031	4.7
142.07803	4.1
143.08574	24.1
145.06480	4.3
145.10118	13.0
147.08038	7.0
147.11685	7.9
149.13269	10.0
151.11191	7.7
153.07072	3.7
153.09076	8.2
155.08656	15.3
155.10683	22.4
156.09326	4.1
157.10086	9.4
159.08040	13.8
159.11678	13.1
161.09599	9.6
161.13263	4.1
163.11105	8.4
165.07001	7.5
167.08612	3.9
168.09375	5.1
169.10130	14.5
171.08066	100.0
171.11687	9.2
173.09644	9.0
173.13309	8.9
175.11166	5.5
175.14726	4.4
177.12799	4.5
178.07799	5.4
179.08553	12.3
180.09343	7.4
181.10100	10.2
183.08037	4.8
183.11723	8.0
185.09671	9.0
185.13200	5.9
187.07410	3.8
187.11209	4.1
187.14789	3.6
192.09413	4.5
193.10072	15.8
194.07191	5.3
194.10962	14.4
195.08058	9.3
195.11694	14.3
196.08835	8.4
197.09593	30.8
197.13359	7.4
202.07848	4.7
203.08589	3.3
203.14247	4.2
205.10118	13.6
207.11761	6.2
208.08925	15.1
209.09621	20.2
209.13272	7.8
210.10295	6.3
211.11197	27.9
213.12723	4.4
218.10767	3.9
219.11642	6.0
221.09644	59.8
221.13225	8.0
222.10365	3.6
223.11189	52.0
223.14767	5.4
225.12733	7.3
229.12291	3.7
230.10934	4.8
231.07933	5.7
233.09654	5.4
233.13237	5.3
235.11153	7.6
235.14804	6.9
237.12732	21.8
239.10681	6.4
245.13362	7.6
246.10336	15.3
246.14037	4.1
247.11153	7.9
248.11879	5.4
249.12682	15.4
249.16420	5.7
251.14366	5.8
261.12769	56.2
262.13266	6.5
263.14340	48.6
265.15875	28.7
275.14261	6.3
277.15744	12.6
279.13953	23.6
281.15335	4.6
283.17001	7.0
287.14224	4.2
289.15939	9.4
291.17459	27.3
293.19055	3.8
303.17505	6.0
313.15720	4.4
317.18985	8.9
373.25375	10.2
383.23862	6.9
401.24832	21.3
419.25967	16.7
437.26807	12.5
455.27859	6.6
459.67990	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
70.26720	2.2
90.83107	0.8
102.04144	0.7
109.71236	0.7
112.89607	2.9
156.04228	1.6
202.99281	0.7
324.99622	0.7
326.17670	0.8
326.56638	0.7
355.91055	0.8
455.11676	100.0
456.11993	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	455.264
Annotation	Epoxycladine B
Peak:m/z	Relative Intensity
50.78938	9.6
53.19973	10.3
55.05509	25.6
56.28051	10.0
67.05502	49.9
69.03430	23.7
69.07088	16.6
69.30910	100.0
71.04991	15.2
79.05483	45.5
81.07057	44.7
83.03403	10.1
83.04982	28.2
85.02892	32.8
85.06551	30.2
91.05476	30.9
93.07051	50.7
95.04967	35.7
95.08603	31.6
97.06552	11.6
105.07033	25.4
107.04979	40.5
107.08601	42.1
109.02889	11.8
109.06497	18.5
109.10178	23.3
111.08099	21.6
119.08588	27.9
121.06519	27.2
121.10162	78.2
123.04432	42.5
131.08560	16.1
133.10124	20.3
134.41251	11.2
135.08055	22.1
135.11667	23.6
137.09601	15.8
139.94608	11.5
145.10176	16.3
147.11705	16.2
149.08533	12.7
149.09624	48.8
151.11221	12.0
153.09117	16.8
159.11737	12.7
161.09706	12.2
163.11221	21.8
163.61308	11.6
179.10619	19.4
191.10774	13.9
201.12679	12.6
232.77524	10.9
257.19217	18.6
275.20099	86.9
293.21112	87.0
311.50739	11.8
417.93961	11.1
455.25409	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.2
55.01875	7.2
55.05513	19.2
57.07079	5.7
64.96301	3.7
65.03941	5.0
67.05185	5.4
67.05515	76.0
67.60440	3.3
69.03442	22.1
69.07081	20.9
69.38334	30.5
71.04969	6.5
78.91128	4.2
79.05506	30.6
81.03400	11.0
81.07059	41.3
83.04993	7.4
83.08603	10.3
85.66693	3.9
86.09719	4.3
91.05479	23.7
93.07062	38.8
95.04987	25.0
95.08615	45.5
97.06550	20.5
97.10138	5.0
98.21496	6.3
99.08107	4.1
105.07042	26.5
107.04982	6.5
107.08611	32.7
109.02876	4.1
109.06521	15.8
109.10186	51.7
111.08074	11.9
113.05994	8.1
117.07030	8.9
119.08602	23.7
121.06510	22.3
121.10165	30.2
123.08064	7.5
123.11693	12.8
124.32544	3.6
125.05991	24.5
125.09624	8.5
127.03938	10.5
128.06232	11.9
129.07005	12.8
131.08565	17.2
133.06491	6.5
133.10136	18.2
135.08060	13.1
135.11697	14.0
137.09637	30.8
139.07570	7.0
139.11185	11.0
141.07011	4.9
142.07813	5.6
143.08586	21.7
145.06534	4.1
145.10139	19.9
147.08040	9.2
147.11742	8.2
149.13269	7.8
151.11185	17.7
152.06264	5.3
153.09059	6.6
155.08533	13.2
155.10651	32.5
157.10123	11.6
158.07204	4.1
159.08026	14.1
159.11713	18.6
161.09673	9.3
161.13289	5.4
163.11261	3.9
165.06973	8.4
165.12825	4.7
167.08597	5.3
169.10138	14.0
171.08086	74.3
171.11693	5.7
173.09633	9.2
173.13370	4.7
177.12746	4.6
178.07713	9.3
179.08539	10.8
180.09442	4.2
181.06386	6.1
181.10123	10.2
183.08023	7.2
183.11711	11.6
184.07364	10.4
185.09593	6.4
185.13148	6.8
187.11284	6.8
190.32458	3.8
192.09329	4.8
193.10168	20.2
194.07326	7.3
194.10880	8.1
195.08087	9.6
195.11708	13.5
196.08878	8.9
197.09657	24.1
197.13261	9.9
199.11198	6.8
203.14552	4.5
205.10178	14.7
207.11713	14.0
208.08899	19.3
208.12500	5.1
209.09613	12.5
211.11253	21.9
213.12756	6.9
213.16411	5.0
215.14388	5.8
218.10939	5.6
219.11684	9.2
221.09654	100.0
221.13193	5.4
222.10379	6.8
223.11273	38.6
225.12743	9.2
227.14409	4.3
230.10916	9.4
231.11783	5.1
233.13211	6.7
234.10426	5.3
235.11229	13.7
235.14763	9.5
237.12819	18.4
239.10707	4.3
245.13374	6.1
246.10419	7.9
247.11235	6.0
247.14868	5.8
248.12042	7.1
249.12758	16.2
251.14229	9.2
261.12711	30.4
263.14334	49.4
265.12537	4.4
265.15884	23.2
273.12817	4.1
275.14383	6.6
277.15659	4.5
279.13837	15.0
281.15500	6.5
283.17099	6.5
287.14261	4.6
289.15652	6.3
291.17261	6.8
293.21252	9.6
303.17358	6.4
313.16010	4.1
317.19049	11.6
327.17526	7.7
373.25183	6.9
383.23587	13.8
401.24786	28.8
419.25693	18.0
437.26782	12.8
455.23978	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	454.2932
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
53.03942	0.7
55.05515	4.2
57.03441	8.4
57.07081	24.1
62.06105	0.7
67.05507	7.9
69.07078	5.0
71.04979	0.6
71.08638	16.1
71.50913	0.8
79.05495	1.6
81.07067	8.9
83.04999	0.8
83.08627	6.2
85.10185	9.3
86.09686	0.6
89.06035	2.0
91.05468	0.9
93.07041	1.6
95.08614	10.7
97.02899	1.0
97.06499	0.7
97.10189	2.6
99.11742	0.7
103.07593	1.5
105.07054	0.6
107.08625	1.0
107.28482	0.5
109.10146	4.7
111.08104	0.7
111.11739	0.9
119.08591	0.8
121.10132	0.9
123.11721	2.0
127.03952	0.7
132.11096	0.5
133.10121	0.5
137.92624	0.5
138.58850	0.6
184.07358	1.0
239.23691	1.8
257.24747	2.3
275.19931	0.7
282.27921	3.2
313.27386	100.0
314.27759	2.0
452.72079	0.5
454.87369	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2932
Annotation	LysoPE(0:0/16:0)
Peak:m/z	Relative Intensity
50.29767	0.5
55.05505	2.5
57.03445	3.8
57.06798	0.8
57.07081	18.4
62.06095	22.9
67.05505	4.4
69.07074	3.6
71.08638	14.1
71.15515	1.3
79.66179	0.5
81.07071	5.3
83.08628	3.8
85.10186	6.7
95.08603	7.0
97.10165	2.2
98.98479	5.7
103.07580	0.6
109.10154	3.3
123.11711	1.6
124.01601	1.4
137.13190	0.6
142.02701	1.2
155.01067	6.7
173.01982	0.8
198.05269	1.3
216.06299	2.2
224.92041	0.5
239.23654	1.6
257.24832	0.7
282.27921	11.6
313.27386	100.0
314.27756	2.2
393.24115	5.0
436.28275	2.3
454.29218	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	3.7
57.07079	37.0
60.54065	0.8
69.07072	2.2
69.16099	8.8
71.08639	25.5
71.29938	0.8
73.06559	6.6
83.08615	2.2
85.10188	21.8
87.04460	2.5
89.06039	100.0
94.73044	0.9
95.08610	1.1
97.10175	2.6
98.20644	1.4
99.11737	4.5
107.07111	1.4
109.10159	1.1
114.17084	0.8
117.09148	2.5
121.10059	0.9
130.08658	1.1
133.08612	42.6
151.09695	1.1
154.98801	0.7
155.17946	3.6
177.11237	15.8
195.12335	1.9
199.20576	2.9
221.13873	1.6
239.14835	2.1
243.23256	6.3
283.17548	12.2
287.25797	2.5
313.27225	1.1
349.29654	1.2
437.34763	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	453.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.6
55.01870	3.0
55.05511	17.5
57.03425	8.5
57.07068	6.6
61.02938	11.4
65.03954	2.3
67.05511	19.1
69.03438	34.9
69.07079	24.2
69.83697	2.1
71.04990	4.5
73.02918	5.1
79.05501	15.7
81.03407	10.9
81.07061	71.2
83.08622	8.9
85.02909	100.0
85.06542	8.7
87.04489	3.9
91.03952	3.6
91.05483	12.5
93.07054	32.4
95.04971	6.1
95.08611	36.1
97.02898	29.2
97.10173	7.1
99.04461	5.8
99.08087	8.6
100.11283	2.3
101.57276	2.0
103.03977	2.0
105.07047	19.2
107.05037	2.0
107.08604	42.0
109.02881	9.5
109.06520	2.9
109.10158	31.5
111.11742	4.6
119.08591	16.3
121.06509	3.3
121.10143	29.1
123.11732	12.2
127.03929	21.9
127.11180	3.8
131.08562	7.9
132.05611	2.0
133.10123	11.0
135.11678	19.2
137.13252	5.2
142.79407	2.1
143.08575	6.5
145.04964	16.8
145.10153	8.2
147.08061	2.0
147.11676	9.8
149.13263	39.6
155.08542	3.4
157.10129	5.7
159.11725	6.9
161.13304	9.0
163.14842	39.6
169.10083	3.2
171.08070	8.2
171.11699	3.0
173.09660	2.2
173.13264	5.3
175.14828	4.1
177.16420	8.3
181.10127	2.2
183.11688	5.6
185.13309	3.1
187.14903	3.3
189.12589	2.2
189.16339	3.3
191.17984	3.9
195.11771	3.2
195.17371	2.1
197.13181	2.7
201.16316	3.1
203.17873	2.2
209.09686	2.8
211.11220	1.9
213.12708	3.6
215.17946	1.9
217.19611	2.3
221.18951	2.1
235.20718	2.2
273.25687	3.1
281.15134	2.8
289.25397	6.0
291.26846	69.3
303.26764	4.5
315.26767	3.8
316.49133	2.1
342.94293	2.3
399.23441	2.7
399.28778	3.0
417.24649	3.8
417.30112	4.4
435.25687	2.8
453.32187	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.2
55.01878	2.2
55.05515	9.1
57.03433	4.3
57.07070	4.7
65.03928	1.4
67.05502	20.7
69.03435	10.2
69.07061	9.9
70.92068	1.2
71.04996	3.1
71.51551	2.5
73.06535	1.1
79.05489	12.2
81.03419	2.3
81.07057	49.1
83.04984	1.3
83.08584	2.8
91.05478	11.6
93.07040	13.6
95.04966	5.6
95.08607	29.7
97.06504	4.0
97.10166	1.9
99.08062	1.3
103.05479	2.0
105.07027	17.3
107.04961	4.3
107.08597	19.0
108.05177	1.3
109.06526	10.0
109.10155	21.3
111.08093	2.8
113.09666	1.3
115.05438	3.1
117.07014	5.9
119.08590	11.4
121.06496	8.9
121.10149	12.3
123.08065	5.4
123.10829	2.3
123.11714	44.3
123.12604	2.9
125.06003	2.2
125.09617	7.1
127.07570	2.2
128.06223	11.2
129.07022	6.6
130.07758	2.5
131.05106	1.4
131.08572	9.8
132.76160	1.2
133.06464	2.6
133.10104	10.0
133.10808	1.0
135.08057	4.9
135.11702	9.7
137.09624	4.3
137.13281	5.8
139.07513	3.0
139.11194	5.2
141.06993	4.7
141.87183	1.0
142.07776	3.9
143.08568	27.1
144.09293	1.2
145.06480	4.8
145.10117	14.3
147.08057	7.8
147.11649	7.0
149.09615	3.7
149.13284	4.8
151.11186	18.1
151.14854	1.7
153.07011	4.1
153.09090	2.8
153.12704	1.6
154.07719	1.5
155.06122	1.4
155.08548	14.1
156.09283	1.9
157.10136	11.4
158.07286	1.8
158.10913	1.9
159.08052	7.0
159.11693	8.7
161.05978	2.5
161.09642	3.3
161.13263	3.3
163.11186	1.7
163.14885	2.9
165.06990	4.3
165.12798	2.9
166.07811	2.4
167.08572	5.0
168.09354	1.8
169.10112	9.1
169.12239	28.0
170.10991	1.4
171.08057	100.0
171.11705	6.8
173.09669	6.4
173.13272	4.3
175.11147	2.4
175.14865	3.7
177.12691	1.8
178.07774	2.6
179.08539	8.1
180.09378	1.7
181.06410	3.1
181.10094	9.9
182.07285	3.3
182.10957	1.5
183.08075	6.8
183.11656	7.7
185.09648	7.2
185.13268	6.4
187.14830	3.0
189.09181	1.6
192.09369	4.0
193.10146	8.8
194.07309	2.1
194.10876	2.0
195.08049	5.8
195.10220	1.2
195.11714	9.8
196.08835	4.9
197.07825	1.8
197.09630	26.5
197.13295	10.1
199.11201	2.2
199.14844	9.6
200.15541	2.2
201.16389	2.0
205.10158	6.7
206.10855	1.5
207.11720	10.3
208.08807	4.1
209.09578	8.4
209.13286	3.1
210.10411	3.5
211.11157	12.3
211.14612	2.4
213.12721	3.3
215.08524	1.4
215.10677	1.9
217.10132	1.6
219.11726	2.6
221.09659	7.9
221.13246	4.2
222.10432	2.0
223.11201	12.6
223.14799	3.6
225.12708	14.0
225.16400	2.8
227.14301	1.7
230.10851	2.2
231.17570	3.2
232.12413	1.8
233.13252	3.1
235.11227	2.9
235.14821	2.6
237.12715	11.4
237.16388	2.0
239.14325	4.2
239.17879	1.4
241.12323	1.9
241.15919	1.4
245.13356	4.9
247.14815	3.7
248.11981	1.7
249.12756	2.3
249.16408	3.6
251.14331	5.2
263.14331	22.9
265.15869	20.5
266.16608	2.8
267.17459	27.2
277.15927	3.4
279.17419	3.9
281.15488	2.3
281.19019	1.6
283.16837	6.3
285.18524	3.1
291.17407	6.7
293.18903	7.4
305.19012	2.0
309.18546	2.0
309.22183	1.5
317.18860	1.9
319.20587	3.1
328.08340	1.4
347.79587	1.3
389.28275	5.6
391.26273	2.3
399.26791	4.5
407.29517	3.5
409.27643	2.3
417.27927	10.9
435.28931	7.9
453.29898	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	453.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.1
54.49537	3.3
55.01870	5.2
55.05517	27.8
57.03420	8.6
57.07053	5.9
59.04993	8.0
60.94156	2.4
65.03935	6.3
67.05507	53.6
68.37046	2.6
69.03429	23.4
69.07076	52.8
71.04976	10.2
71.33303	3.4
75.91904	2.5
79.05079	2.8
79.05495	36.2
81.03402	5.3
81.06596	3.5
81.07059	64.6
83.04966	10.1
83.08591	10.0
85.02901	3.3
85.06518	6.9
86.09705	3.5
91.05476	40.6
93.07043	45.9
94.49177	2.7
95.04968	9.3
95.08610	46.9
97.06510	9.8
97.10156	9.9
99.08068	6.9
101.09665	24.2
103.05470	3.7
105.07030	43.1
107.04954	9.8
107.08592	100.0
109.06538	21.6
109.10158	81.7
111.08078	15.5
115.05454	8.1
116.06180	4.0
117.07015	10.8
117.92317	2.6
119.04865	2.9
119.08582	33.5
121.06508	18.9
121.10148	20.7
121.51537	2.9
123.08059	9.3
123.11722	17.5
125.09628	60.9
125.13261	3.3
127.03889	7.0
128.06212	8.3
129.06981	12.6
131.08582	25.3
133.06480	9.8
133.10124	24.3
135.08028	11.3
135.11696	55.4
136.93121	9.5
137.06027	3.9
137.09598	5.2
137.13228	10.1
139.11201	13.8
141.06987	6.5
142.07755	7.5
143.08559	22.6
144.05730	4.1
145.06445	6.9
145.10112	18.7
147.08037	6.6
147.11693	15.0
149.09567	3.9
149.13219	7.0
151.11159	5.3
153.06950	5.2
153.12749	30.7
154.07578	3.0
154.94145	18.8
155.08594	18.2
156.09320	3.7
157.06490	3.5
157.10107	10.8
158.10971	3.6
159.08101	18.4
159.11652	7.8
161.09648	6.2
161.13246	11.4
165.07028	7.5
166.07747	5.8
167.08559	7.6
168.09309	4.9
169.10147	11.2
171.06662	5.5
171.08060	66.4
171.11673	3.3
172.08412	4.1
172.95253	10.5
173.09595	7.0
173.13226	9.0
175.11206	3.4
175.14833	3.8
178.07755	11.6
179.08559	13.0
180.09309	7.9
181.10147	31.0
182.07288	4.4
183.08087	6.6
183.11664	10.2
184.07413	6.7
185.09631	7.7
185.13242	12.1
187.07625	4.3
187.11139	3.3
189.09003	3.8
189.16383	5.3
191.08647	3.9
191.14362	3.2
192.09348	6.0
193.10144	22.0
194.07216	4.8
194.10945	8.6
195.08061	9.6
195.11652	18.5
196.08775	8.5
196.12466	12.6
197.09631	22.4
197.13190	10.7
199.11255	6.4
205.10150	28.0
207.08070	6.5
207.11702	4.2
208.08838	21.3
209.09615	19.6
209.13264	6.5
210.96765	4.3
211.11183	22.9
213.12758	8.7
215.08578	8.6
219.11717	5.2
221.09633	93.1
221.13066	4.1
222.10260	7.8
223.11203	35.2
223.14740	4.2
225.12703	6.7
228.97870	7.0
230.10919	10.9
231.11716	7.0
233.09569	8.0
233.13351	3.9
234.10423	4.9
235.11145	12.2
235.14781	8.3
237.12798	14.9
237.16341	3.6
239.10689	5.2
239.14368	3.8
245.13258	27.6
246.10397	8.0
247.11165	5.5
247.14780	3.3
248.11990	15.5
249.12712	10.7
251.14189	4.9
253.15926	3.4
261.12811	23.5
262.13458	5.7
263.14322	88.5
264.14905	6.3
265.15845	17.1
273.18698	3.7
275.14380	3.7
277.15842	5.1
279.13779	4.3
281.15320	16.5
283.16830	5.0
293.19000	12.5
299.13214	5.5
299.16409	89.0
305.19101	3.5
315.17447	7.9
317.18237	4.9
347.25784	4.8
351.19821	3.1
399.26675	4.4
401.81415	2.9
416.01099	3.2
417.28204	5.0
435.29187	5.5
452.93652	6.3
453.16956	10.9
453.24121	4.7
453.29703	27.8
454.30319	4.6
471.18356	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	453.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.4
55.01861	9.2
55.05512	22.3
57.03427	7.2
57.07067	3.5
59.05001	18.0
62.33933	2.0
62.62210	2.0
67.05509	34.7
67.10063	2.1
69.03434	17.2
69.07070	14.0
70.02818	4.2
70.03228	6.9
71.04978	6.0
79.05502	34.2
81.03428	29.9
81.06657	3.2
81.07070	37.9
81.31665	2.4
83.04966	9.9
83.08611	9.9
85.02910	10.0
85.06534	2.6
91.05485	35.4
93.07056	29.8
93.64610	2.4
95.04985	12.5
95.08601	19.7
97.02900	11.9
97.06535	6.7
97.10190	14.9
98.10987	2.5
98.20872	2.4
99.04453	7.4
100.11249	3.2
105.07039	26.4
107.04958	13.6
107.08604	19.4
109.02897	17.3
109.06516	7.5
109.10173	17.4
111.04426	3.6
111.08135	2.3
117.07002	10.3
119.08591	20.8
121.06503	6.6
121.10154	12.2
122.44108	2.0
123.08058	9.2
123.11697	7.4
125.09613	7.4
127.03915	15.8
128.06206	3.7
129.06996	7.6
130.07748	2.6
131.08594	14.9
133.06483	9.9
133.10133	14.3
135.08044	8.0
135.11665	5.5
137.09616	6.2
143.08537	8.1
145.06432	3.0
145.10184	12.4
147.08067	12.9
147.11668	8.7
149.09613	6.8
149.13388	2.1
151.11177	7.6
153.09122	3.7
155.74803	2.1
157.10077	5.6
159.08089	5.4
159.11656	7.1
161.09619	7.4
161.13379	3.2
162.10393	2.4
163.11124	4.0
165.09122	5.3
169.12164	3.6
171.11668	5.0
173.13249	4.2
175.11092	5.4
177.09172	3.2
177.12685	3.2
181.12305	2.6
184.07353	3.4
189.11244	8.4
189.12766	2.7
193.12274	2.9
193.99983	2.3
203.10788	3.7
206.27206	3.1
216.38309	2.8
223.13258	6.2
227.17836	3.0
245.18915	4.7
255.17444	2.6
263.20041	7.5
273.18506	27.9
291.19568	100.0
313.27509	3.7
333.20715	6.4
363.21902	2.5
393.22656	4.6
399.21988	4.9
416.64752	2.3
417.22559	3.2
435.23999	16.6
438.13690	4.9
452.93430	6.1
453.15350	39.4
453.24707	27.4
453.34338	5.4
454.15848	2.9
473.71829	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	453.181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04033	1.4
55.05507	5.8
56.05041	58.8
59.65689	1.5
61.00850	2.5
61.01156	47.7
67.05473	2.2
69.07065	1.7
70.02952	16.4
70.06597	7.7
71.50397	1.5
72.08176	11.1
74.06090	1.7
79.05506	3.2
81.07051	3.1
83.08647	2.0
84.04504	4.3
84.08155	7.7
85.02896	2.4
86.09719	10.0
87.05599	99.6
88.03989	3.1
89.06055	1.5
91.05492	28.0
93.07047	2.5
98.06063	31.0
100.11268	15.2
102.20091	1.4
103.05489	8.6
104.05341	100.0
105.07014	1.9
107.04932	3.4
107.08582	2.0
110.06028	1.3
111.04422	1.9
117.07043	2.0
120.08121	46.1
129.07007	2.5
129.10258	3.6
130.06554	7.0
131.04939	7.7
132.08144	1.9
138.08846	1.4
144.08119	2.4
146.06358	77.2
147.09178	2.4
149.06009	3.1
154.06477	1.7
157.06480	4.8
166.08649	17.3
172.07538	9.9
173.07474	5.1
173.13249	1.5
174.05855	51.7
175.08679	30.0
182.06090	11.0
182.15385	4.1
200.07094	42.1
209.16451	5.1
210.14900	4.4
217.09692	2.8
221.09236	18.9
226.18974	2.1
234.12379	11.9
245.09276	8.2
246.07622	28.6
247.07912	1.7
262.11923	7.3
263.10291	43.2
273.18607	2.2
280.12958	25.9
288.10229	8.1
289.08444	1.4
291.12036	2.1
383.86996	1.4
405.94522	1.5
418.14423	1.6
435.33191	4.3
453.20380	2.1
453.34293	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	452.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58022	1.2
53.17363	1.1
55.05494	3.5
57.03431	1.1
57.07077	47.6
58.25343	1.2
59.05005	43.8
69.07076	5.9
69.30934	3.6
69.31351	5.4
70.84060	1.2
71.08633	38.5
73.06554	4.6
81.07040	1.7
83.08607	2.6
84.31261	1.1
85.10188	19.0
87.04469	21.7
89.06036	47.2
94.11129	1.2
95.08620	1.7
96.14884	1.1
97.10202	6.1
97.10715	1.2
99.11730	2.7
103.03944	100.0
103.07582	64.0
105.07065	1.3
107.07066	2.5
110.70908	1.1
111.11701	2.9
117.09087	1.7
119.07069	1.2
121.08607	12.1
127.14832	1.5
131.07053	9.8
133.08607	17.8
147.06528	9.5
147.10156	8.6
151.09642	2.0
163.09656	4.1
166.17468	1.3
183.21106	1.9
191.09111	2.0
191.12762	3.6
207.12263	16.5
227.23715	1.6
235.11746	7.0
239.14815	1.8
253.12865	11.5
271.26315	5.3
291.80270	1.1
315.28897	3.6
435.32913	6.6
454.80792	1.5
470.36835	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	452.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	9.6
56.05051	6.2
57.03445	9.2
58.99589	17.0
60.84304	1.4
61.01144	1.7
67.05508	17.1
69.03415	1.9
69.07067	4.7
70.02978	2.4
70.06601	19.4
70.08984	5.9
71.04979	4.3
71.06903	1.7
72.08160	29.1
73.01122	1.4
73.08491	2.5
74.06075	3.2
76.02231	19.0
76.04008	2.8
79.05492	2.1
81.07054	4.8
82.06612	1.6
83.06099	4.4
83.08609	10.2
84.04514	19.8
84.08144	19.5
85.02909	2.4
85.06531	1.9
86.09722	15.2
86.99052	14.3
87.02692	3.7
88.02219	2.8
88.03985	2.3
91.05461	1.7
91.76584	1.3
95.06097	1.8
97.02977	1.3
98.06061	3.0
99.02648	1.5
99.05577	3.5
102.05551	2.2
103.05453	1.7
103.67752	1.3
105.56767	1.4
107.04940	6.9
107.08632	1.4
108.05321	2.9
109.10166	53.9
110.07170	4.2
112.08741	2.9
112.11210	1.5
116.00903	2.8
116.01690	44.3
116.07060	1.6
119.04999	1.5
120.08107	16.9
121.08447	6.7
125.06058	1.4
127.03894	1.7
127.08662	1.3
127.11204	23.6
129.06604	3.1
129.10251	10.0
130.05038	6.5
130.06567	1.2
131.04924	3.9
136.07559	2.4
142.03177	6.2
142.08652	2.1
144.01161	20.0
145.02869	1.3
145.06105	7.0
145.12294	1.9
149.02367	7.7
150.02690	5.6
153.01855	9.7
154.02144	5.5
156.06532	1.4
162.02217	100.0
163.02563	1.4
179.04848	5.1
187.05304	1.5
187.10785	4.7
190.05292	1.5
192.06087	1.4
195.02928	2.0
203.11011	17.9
215.07085	5.5
216.07373	5.7
220.13646	3.1
243.06566	3.3
244.06892	7.3
249.12061	1.2
250.05386	1.9
262.11133	1.9
263.10422	1.5
272.06525	3.0
278.04706	2.6
279.97894	1.2
289.07050	3.6
290.07538	8.4
306.13733	18.8
323.16400	23.6
338.19604	1.3
356.13528	1.4
377.17404	15.1
431.72290	1.3
452.09631	1.9
452.20355	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	452.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.4
53.03941	1.1
55.01865	0.5
55.05501	0.8
56.05021	0.5
57.03430	0.8
59.42746	0.3
60.04515	0.5
67.05492	0.5
68.05025	1.2
69.03435	2.2
69.07071	0.5
70.06601	4.1
71.04992	0.3
72.08170	2.1
74.06087	0.4
77.03925	0.5
79.05493	6.8
80.05023	2.4
81.03423	6.2
81.07071	0.8
82.06583	0.4
83.04985	0.6
84.04499	2.3
84.08154	2.1
85.02901	1.4
86.09712	2.0
95.04983	1.2
96.04498	0.4
97.02904	2.2
97.06544	0.8
98.06056	4.8
99.04459	1.5
99.05579	4.2
100.07587	0.5
103.05472	27.6
106.06543	0.4
107.04960	2.0
107.06104	0.5
109.02885	2.5
116.07088	0.9
120.08102	1.2
123.04366	0.4
124.07571	2.3
125.06004	14.6
127.03925	1.3
127.05035	0.4
129.10252	0.9
130.05042	0.9
131.04933	100.0
132.05267	1.0
142.08640	30.5
143.08994	0.4
145.05016	0.6
145.06084	7.0
149.05991	6.9
153.06612	0.9
160.09702	16.0
181.06145	0.4
189.50981	0.4
199.07158	0.7
232.09763	1.3
250.10782	1.1
256.09283	0.6
274.10391	0.8
275.09125	6.2
288.05640	0.9
289.06247	0.6
290.06436	0.8
293.10199	5.1
314.59076	0.3
323.16461	0.4
398.15912	0.6
416.17371	0.5
434.17911	2.1
452.19455	5.4
459.82507	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	5.3
53.03955	9.7
55.01880	5.4
55.05519	21.2
57.03438	7.1
57.07069	9.8
61.02923	9.3
67.05526	35.1
68.23978	4.1
69.03441	29.2
69.07056	20.5
70.57438	16.3
71.04994	4.1
73.02914	8.7
79.05508	24.3
81.03413	18.2
81.07061	100.0
83.08624	8.4
85.02909	68.3
86.03248	4.5
87.04473	8.1
87.70912	4.4
91.05502	27.2
93.07061	49.0
95.04971	11.6
95.08622	68.0
97.02927	23.3
97.10136	11.9
99.04462	4.7
102.81046	4.7
105.07053	57.4
107.08598	64.6
109.02867	6.8
109.06536	8.0
109.10160	49.4
117.06992	10.3
118.97421	4.2
119.07950	4.3
119.08602	55.3
121.10155	63.0
123.11694	28.0
127.03909	12.4
130.00560	9.1
131.08582	15.4
133.10136	32.6
135.08063	7.1
135.11711	30.4
137.13286	5.2
143.08546	11.0
145.04942	9.9
145.10130	40.3
147.08022	7.9
147.11673	27.0
149.13263	25.1
151.14865	4.6
157.10156	12.2
159.11708	36.2
161.13261	35.8
163.14871	22.7
171.11699	8.8
173.13258	16.4
175.14867	24.4
183.98686	4.5
184.07397	7.8
187.14789	12.3
189.16371	11.0
191.17973	5.1
194.00047	8.1
197.13239	5.0
199.14819	6.2
201.16327	17.1
203.17963	12.8
213.16411	7.7
215.17889	21.0
217.19469	4.5
229.19572	7.9
231.21077	11.6
239.92690	4.3
243.21185	8.1
255.73007	4.8
269.22690	8.3
271.24225	58.7
289.25238	22.2
312.30533	4.5
415.28360	6.9
450.93536	18.8
451.30621	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	451.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.7
55.01873	10.4
55.05510	23.5
57.03458	9.3
57.07063	7.8
61.02910	7.3
67.05499	35.2
67.88673	4.4
68.10701	4.4
69.03424	32.3
69.07063	34.0
70.58170	15.3
74.09694	4.8
79.05478	33.1
81.03416	17.7
81.07058	100.0
83.08620	15.1
85.02911	74.1
87.04512	5.4
91.05489	29.1
93.07040	67.6
95.08608	70.0
97.02907	29.0
97.03439	5.5
97.06516	12.0
97.10175	6.2
97.92919	4.4
99.04478	7.4
103.03986	5.3
105.07028	61.7
107.08595	70.1
108.01384	5.3
109.02876	5.3
109.06515	6.2
109.10165	49.0
111.08044	5.4
117.07037	10.0
119.08601	60.0
121.06532	6.2
121.10140	60.2
123.11702	30.2
127.03914	11.9
131.08582	19.8
133.06606	5.1
133.10144	31.5
135.11684	39.8
137.13303	7.9
143.08578	7.5
145.05026	7.6
145.10146	38.2
147.11682	27.9
149.13246	32.4
151.11212	5.5
157.10165	10.8
159.11713	45.4
161.13264	36.9
163.14813	18.5
169.10143	7.0
171.08073	5.5
171.11761	5.7
173.13254	25.2
173.68646	5.2
175.14844	28.8
183.11720	6.8
184.07346	8.6
185.13351	8.0
187.14803	23.4
189.16411	17.1
194.00067	7.2
199.14879	6.0
201.16400	21.0
203.17976	7.1
213.16478	6.2
215.17947	15.9
231.21165	18.8
243.21114	11.3
269.22653	10.8
271.24258	63.5
289.25311	16.3
313.25241	5.8
379.26303	5.8
397.27405	6.8
433.29523	7.2
450.93521	17.0
451.30838	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	451.306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48741	8.1
55.05509	29.1
57.03439	9.7
57.07074	16.6
61.02915	10.3
67.05522	51.7
69.03426	31.7
69.07076	47.6
71.51303	10.1
74.97383	9.1
79.05489	27.6
81.03405	17.4
81.07073	100.0
81.13915	9.3
83.08623	20.9
85.02901	59.9
87.04471	13.9
87.57053	7.6
89.06043	28.1
91.05487	20.9
93.07066	67.6
95.08614	75.8
97.02916	29.3
97.10147	14.6
99.04520	10.8
105.07046	50.8
107.08608	68.5
109.10149	55.9
119.08570	56.4
121.10171	66.6
123.11697	23.9
127.03921	15.3
131.08563	25.7
133.10138	39.8
135.11729	27.4
137.40054	8.4
145.10130	37.6
147.11668	23.5
149.13301	25.0
157.10114	15.6
159.11702	54.4
161.13263	27.1
163.14850	21.2
173.13278	19.5
175.14818	22.3
177.16371	15.8
179.93892	9.0
187.14825	11.3
189.16487	11.8
201.16411	33.9
215.18010	16.1
229.52928	8.5
241.19498	10.0
243.21330	11.2
271.24295	65.2
289.25266	22.7
380.89938	9.8
412.15903	10.2
450.93588	10.2
451.28009	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	451.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	13.9
55.01865	10.4
55.05511	23.0
57.03437	12.2
57.07075	11.2
61.02923	11.3
63.93615	5.7
67.05512	33.6
68.18537	5.5
68.68230	6.3
69.03432	38.6
69.07078	30.9
73.02917	8.3
74.59915	5.5
79.05484	24.6
81.03419	19.3
81.07068	100.0
83.08637	11.2
85.02906	72.0
89.06034	6.8
91.05482	21.0
93.07051	57.1
95.04979	9.4
95.08612	70.4
97.02880	32.7
97.06558	10.3
97.10158	9.9
102.22056	5.8
105.07047	61.7
107.08606	68.6
109.02841	6.9
109.06556	6.1
109.10168	74.0
117.07017	10.1
119.08605	66.2
121.10155	89.8
123.11713	26.3
125.09547	5.9
127.03913	11.0
131.08575	37.8
133.10120	33.5
135.11699	33.1
145.04997	7.8
145.10132	36.3
147.11687	24.8
149.13228	31.0
157.10139	10.5
159.11720	45.4
161.13222	42.2
163.14861	20.9
169.09985	6.2
173.13300	29.6
175.14847	15.1
177.16345	10.5
187.14859	23.4
189.16362	19.7
191.17892	10.1
201.16371	35.4
203.18010	9.9
213.16444	6.7
215.18048	20.6
229.37137	7.9
231.21126	17.5
243.21101	17.1
257.22577	10.1
269.22662	12.7
271.24225	67.1
281.22128	7.5
289.25241	26.1
337.25241	7.3
395.91330	6.5
397.27179	17.7
415.28177	10.6
433.29324	12.0
451.30347	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60114	1.7
52.19953	1.9
53.03946	3.3
55.01859	1.7
55.05519	11.8
57.03441	1.9
57.07067	2.3
57.53454	1.8
59.04987	2.4
61.02928	2.6
67.05513	15.1
68.25415	1.8
69.03423	5.0
69.07063	12.5
70.00494	8.8
71.04979	4.5
73.02913	7.5
76.01878	3.2
79.05502	13.5
81.03421	4.2
81.07063	42.5
83.04976	2.3
83.08637	9.5
85.02915	14.2
91.05499	9.2
93.07054	24.7
95.04973	3.1
95.08618	30.5
97.02902	5.0
97.10199	4.2
99.04453	2.5
105.07042	14.7
107.08618	20.8
109.06469	2.0
109.10161	25.1
111.04456	2.2
111.99561	6.8
119.08588	20.3
121.10142	24.3
123.08003	2.4
123.11713	10.0
125.09615	2.9
127.03920	5.6
127.11233	5.3
129.07002	2.0
130.00572	33.1
130.04044	4.5
131.08592	5.1
133.10158	16.0
135.08012	2.8
135.11688	15.1
137.13255	2.6
138.01076	24.2
145.10152	8.4
147.08095	2.0
147.11734	9.4
149.13254	13.2
157.10080	2.2
159.11667	11.4
161.13298	10.6
163.14819	10.8
171.11792	2.5
172.93454	3.8
173.06067	2.1
173.13275	6.9
175.14870	5.5
177.00908	29.6
183.11664	3.1
187.14891	4.7
189.16400	6.2
190.94467	3.1
191.17932	4.6
194.00058	55.6
195.01985	8.0
197.01184	3.4
199.14807	1.9
201.16389	4.6
203.17979	8.9
205.00424	6.2
213.16385	2.2
215.17984	2.5
217.19534	5.2
231.21170	2.2
241.59813	1.9
243.21162	2.2
244.04019	3.5
255.92612	2.1
271.24231	16.9
273.25757	2.5
279.00897	8.0
283.92252	32.2
289.25241	9.1
301.93210	14.5
304.43555	1.9
415.28610	2.7
450.93640	100.0
451.13873	8.2
451.23157	2.6
451.30118	3.6
451.93948	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	451.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43042	9.9
53.97710	9.3
55.05507	29.8
57.07062	11.2
61.02925	14.1
63.22407	9.9
67.05506	41.7
69.03426	27.5
69.07067	29.7
71.11242	15.6
71.11560	13.9
77.09017	10.9
79.05489	30.8
81.03422	14.3
81.07067	100.0
83.08633	15.4
85.02907	68.5
89.06031	23.1
91.05477	29.6
93.07059	58.9
95.04952	11.2
95.08615	71.1
97.02894	24.9
97.10162	12.1
105.07021	50.5
107.08598	41.0
109.10151	54.8
119.08599	59.7
121.10161	80.1
123.08078	11.0
123.11700	21.7
127.03939	16.5
131.08582	25.7
133.10147	32.4
135.11690	39.4
145.10150	41.6
147.11690	45.8
149.13261	39.6
157.10146	14.5
159.11713	39.3
161.13280	34.7
163.14839	22.6
173.13266	30.2
175.14888	25.9
187.14842	26.1
201.16383	23.6
215.18015	20.2
243.21094	13.3
271.24191	60.3
289.25317	28.9
312.65857	11.4
321.07642	11.5
351.66580	10.8
407.40717	10.4
450.93344	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.1
55.05509	21.8
57.03437	7.0
61.02910	7.3
67.05515	31.1
69.03442	26.5
69.07068	22.4
70.01328	5.0
70.62505	8.5
70.62840	9.1
71.04971	6.8
73.02924	6.1
79.05503	26.9
81.03423	12.2
81.07063	100.0
83.04988	7.3
83.08604	9.1
85.02907	58.5
85.06536	5.1
91.03974	7.3
91.05481	24.8
93.07058	59.1
95.04964	11.2
95.08615	76.6
97.02890	22.0
97.06583	5.2
97.10180	6.5
99.04487	6.6
104.38800	4.8
105.07030	55.3
107.08604	66.9
107.24283	4.8
109.02875	11.4
109.06509	13.2
109.10153	51.0
117.07027	12.1
119.08596	49.3
121.10153	69.0
123.08031	5.7
123.11723	33.3
127.03941	10.0
131.08574	23.1
133.10159	38.2
135.11685	30.1
137.13290	10.3
142.98799	5.7
143.08589	10.5
145.04994	9.7
145.10114	32.7
147.11690	24.8
149.13271	31.4
157.10188	5.5
159.11691	37.3
161.13234	32.8
163.14813	19.2
169.10138	6.1
171.11714	10.1
173.13307	25.1
175.14810	12.1
177.16405	14.3
183.11765	6.4
185.13251	11.2
187.14816	12.5
189.16414	11.8
201.16409	15.5
203.17950	10.7
213.16383	7.4
215.17949	21.2
219.17574	5.0
227.17941	5.0
229.19563	7.2
231.21040	8.5
241.19592	5.7
243.21100	9.3
245.87119	5.2
256.99731	5.5
257.22705	6.5
269.22711	13.0
271.24194	59.2
281.22589	5.5
283.24078	6.2
289.25269	13.5
295.53229	5.0
301.25357	5.7
379.26260	5.5
397.27200	13.6
402.02756	4.7
415.28546	16.6
433.29666	12.7
451.30420	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	451.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	21.5
57.03437	8.2
61.02916	16.5
63.01583	5.0
67.05505	21.4
69.03440	34.2
69.07063	19.4
70.57590	18.3
79.05491	20.2
80.13535	5.3
81.03421	14.9
81.07055	100.0
83.08613	11.0
85.02905	75.5
91.05487	24.3
91.85069	5.9
93.07056	52.9
95.08608	59.4
97.02893	22.7
97.06493	7.7
97.10177	8.1
99.04448	8.1
103.03934	6.3
105.07040	56.9
107.08601	57.3
109.10164	54.9
119.08585	56.7
121.10146	68.2
123.11692	19.8
127.03918	14.6
131.08571	16.5
133.10152	31.7
135.11690	44.4
137.13339	6.7
139.09972	5.7
145.04962	16.9
145.10127	49.9
147.11722	30.7
149.13222	31.1
150.57562	6.2
159.11740	40.5
161.13348	31.7
163.14821	17.9
170.30461	6.2
171.11726	7.6
173.13310	17.5
175.14865	24.1
187.14903	9.7
189.16420	17.3
191.17975	6.5
199.14841	8.5
201.16429	25.4
203.17963	12.8
213.16447	9.2
215.17957	20.8
231.21140	20.2
243.21181	10.5
269.22571	8.3
271.24203	56.2
289.25278	19.7
349.61191	5.8
397.27457	10.6
415.28418	9.9
433.29425	7.3
451.30200	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	451.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.5
53.93085	4.8
55.04526	4.4
55.05507	20.4
57.03428	5.8
57.07094	6.0
61.02932	10.2
61.59356	4.1
67.05515	38.5
67.58541	4.3
67.87925	4.8
69.03431	26.7
69.07074	27.7
70.57857	13.5
73.02925	5.2
79.05497	33.2
80.88637	6.7
81.03416	19.8
81.07062	100.0
83.08640	13.9
85.02911	64.6
85.06516	5.2
90.79995	6.0
91.05495	18.5
93.07049	46.0
95.04939	5.6
95.08619	67.9
97.02900	28.0
97.06554	7.2
97.10162	10.5
105.07028	54.6
107.08612	65.0
109.02904	7.6
109.10169	53.8
111.44948	6.1
117.07088	5.4
119.08600	64.5
121.10156	66.2
122.88892	6.2
123.11754	31.3
127.03925	12.6
131.08586	18.1
133.10144	38.6
135.11729	30.4
137.13254	8.1
143.08580	8.7
145.04932	10.8
145.10130	39.8
147.11720	31.3
149.13272	32.0
157.10117	11.7
159.11707	42.0
161.13271	48.5
163.14816	30.4
171.11725	7.2
173.13242	26.0
175.14853	17.4
177.16394	7.9
185.13292	6.6
187.14845	22.1
189.16406	19.6
191.17940	7.7
199.14784	7.0
201.16373	24.9
203.17998	8.8
213.16357	9.1
215.18080	27.5
231.21057	16.5
269.22827	7.9
271.24207	70.9
275.37634	5.4
281.22635	6.8
289.25183	26.1
379.25732	7.0
433.29590	8.3
449.04520	5.6
451.30548	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	11.0
55.05505	23.4
57.03445	5.1
57.07055	4.9
59.41265	4.2
59.69030	4.1
60.13668	4.2
61.02921	11.2
65.32555	4.2
67.05503	29.6
69.03429	26.6
69.07079	28.6
71.04996	5.3
71.08636	7.5
71.23715	4.2
73.02927	5.9
76.16860	4.1
76.25076	4.2
79.05502	29.1
81.03407	16.4
81.07061	100.0
83.05006	6.4
83.08624	13.2
83.79897	4.1
85.02909	65.3
89.06033	4.4
91.05482	22.9
93.06491	4.9
93.07050	60.9
95.04989	5.0
95.08615	64.6
97.02909	25.8
97.03433	4.3
97.10177	10.4
98.20715	8.2
98.97571	4.0
99.04479	7.3
105.07034	46.9
107.08602	59.8
109.06521	6.1
109.10159	50.3
110.90268	4.1
111.04370	4.3
111.11731	4.9
117.07037	6.1
119.08578	60.6
121.10150	74.4
123.11705	23.8
127.03926	10.5
131.08554	20.1
132.62968	4.8
133.10123	33.3
135.11667	26.5
137.13237	6.7
141.44768	4.2
143.08553	8.5
145.04974	13.7
145.10120	38.7
147.11725	32.2
149.13263	27.5
157.10167	8.4
159.11713	40.1
161.13252	34.5
163.14845	18.9
165.09105	5.6
171.11708	6.5
173.13280	29.7
175.14828	16.7
177.16449	7.9
185.13222	8.4
187.14870	18.6
189.16423	10.7
192.76566	4.8
199.14795	9.8
201.16376	27.6
203.17943	9.3
211.15004	4.6
215.17950	22.2
229.19527	9.9
231.21118	18.3
239.17682	5.0
243.21178	7.3
267.86938	5.2
271.24213	65.8
283.24133	5.0
289.25308	22.7
397.27252	7.9
415.28757	7.5
433.29437	11.8
451.30286	9.4
460.41556	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	451.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.4
58.28314	0.2
67.05506	0.4
69.07053	0.3
69.21688	1.9
70.06589	0.7
72.08153	0.5
79.05479	0.4
81.07052	0.8
83.04990	0.2
83.08607	0.2
86.09713	19.5
88.03958	0.2
91.05466	1.3
93.07051	1.9
95.04971	0.3
95.08616	1.1
97.06534	0.4
98.09708	0.2
101.28919	0.2
103.05472	3.4
105.07016	1.4
107.08596	1.3
109.10169	0.5
117.07039	0.2
117.77653	0.2
119.08605	1.8
120.08114	100.0
121.08483	1.2
121.10147	0.6
123.11703	0.3
129.07063	0.2
131.08565	0.8
133.10146	1.3
134.04523	0.5
135.11687	0.3
143.08592	0.5
143.11807	11.6
145.10127	1.3
147.04431	0.2
147.11700	0.5
150.46400	0.2
156.09358	0.3
157.10165	1.1
159.11691	1.6
161.13277	0.5
169.10155	0.3
171.11324	4.3
173.13332	0.9
175.14888	0.4
184.12451	0.2
185.13263	0.7
187.14851	1.2
189.16409	0.6
197.13319	0.2
199.14847	1.1
201.16354	1.4
213.16356	1.2
215.07051	0.4
215.18004	0.3
221.22374	0.2
233.16649	0.4
241.08633	0.2
241.19522	0.3
259.09653	0.4
261.16241	0.2
263.10303	0.5
273.15976	1.3
281.11340	18.1
282.11703	0.3
287.05615	0.2
289.06216	0.7
318.18073	1.1
348.81265	0.2
394.19733	0.3
404.18365	0.2
405.31665	0.8
433.20963	0.7
433.31125	0.3
451.18872	0.3
451.25476	0.3
451.32065	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	451.1241
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
53.03937	1.3
55.01859	1.1
55.05508	7.6
55.53996	1.1
56.05031	5.0
56.77126	1.2
57.03426	1.6
60.04531	2.6
60.43104	1.2
65.03960	1.2
68.05036	1.5
68.99789	2.1
69.03439	3.1
69.07076	2.2
70.06598	28.5
70.87809	2.8
71.04996	2.2
72.08160	69.3
74.06094	2.3
81.07092	1.6
82.58624	1.3
83.55095	1.1
84.04510	9.2
84.08156	17.6
85.02908	3.6
86.09708	17.0
87.05617	1.7
87.10034	1.7
88.03974	1.5
91.05478	4.0
93.07062	1.8
95.04993	2.0
97.02902	2.2
98.06083	1.9
99.05583	1.4
102.05525	7.0
103.05469	3.7
107.04960	44.0
110.07188	5.0
111.04489	2.1
112.08791	2.0
112.11237	2.0
115.08634	1.6
116.01637	2.0
116.07074	2.0
118.08677	5.2
119.04942	3.0
120.08111	100.0
121.02858	10.0
123.04439	2.8
129.10251	9.8
130.05000	2.2
131.04926	1.8
135.04414	5.1
136.07608	4.0
139.03911	3.5
141.06898	1.7
143.11824	3.7
145.06226	1.4
145.09833	1.7
147.04428	2.6
147.08057	1.6
148.06035	2.6
149.02354	55.4
153.01834	78.0
159.07738	3.1
162.02235	5.0
163.03944	1.5
165.01862	1.9
166.08665	4.5
167.03462	6.4
169.06470	3.8
171.11346	1.6
173.05968	1.4
177.10294	3.9
184.07344	2.4
187.07332	3.0
189.12381	6.1
191.11850	4.2
195.02925	10.4
197.06006	4.8
201.12329	7.5
215.07037	57.1
217.09787	5.0
219.11369	5.1
219.14978	2.8
223.10814	5.0
229.11784	7.6
233.11285	2.2
235.10815	5.1
242.05856	1.5
243.06549	48.9
244.06772	1.5
247.14549	4.1
259.09781	2.1
263.10217	10.5
267.11459	1.6
271.06046	24.8
271.14322	2.3
286.13913	2.1
287.05389	1.9
288.05804	2.1
289.07098	54.6
289.15732	2.3
314.13562	1.3
334.14047	4.2
377.17572	1.4
451.09067	2.5
451.21317	4.5
451.27905	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	451.0488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45445	2.4
57.84003	2.1
63.46455	2.5
69.03453	2.2
69.87790	9.7
72.40470	2.2
76.23562	2.2
81.10812	2.4
94.93023	7.7
98.20853	4.4
119.01890	2.4
122.07723	2.2
133.03517	3.6
159.05075	2.4
217.03835	2.5
218.92325	8.5
222.02664	2.7
244.90227	6.6
248.89719	9.6
273.68060	2.8
321.10379	9.0
451.04932	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69502	0.6
53.03945	1.5
55.01863	1.7
55.05274	0.9
55.05518	12.2
56.05028	2.1
57.03425	2.5
57.07067	1.4
60.04513	0.8
61.02923	1.8
66.40710	0.7
67.05509	11.6
69.03433	7.1
69.07071	18.9
70.06595	7.4
71.03358	1.5
71.04991	4.9
72.08163	4.0
73.02894	1.5
74.06048	0.8
79.05495	6.3
79.96275	0.6
81.03416	4.5
81.06599	1.0
81.07065	15.7
83.04967	1.2
83.08619	9.7
84.04493	1.1
84.08153	3.8
85.02909	15.1
85.06521	0.8
86.09721	5.1
87.04473	0.9
91.05478	4.4
93.07030	6.1
95.04969	0.9
95.08610	16.2
95.41216	0.6
95.69992	0.6
96.04485	0.8
97.02899	6.9
97.06533	2.7
97.10178	5.3
98.09669	0.7
99.04469	1.2
99.08048	1.5
105.07040	3.3
107.04995	0.7
107.08595	3.6
108.04459	1.1
109.02881	2.0
109.10152	8.1
110.07194	0.9
111.08098	1.2
111.11735	1.3
112.08758	0.7
113.09698	0.7
117.06996	0.8
119.08589	2.8
120.08130	6.4
121.10144	5.1
122.02716	1.2
123.08049	1.0
123.11728	3.0
124.07729	0.7
127.03899	2.5
129.10245	1.1
131.08635	0.9
133.10126	3.1
135.11703	3.9
137.09607	1.4
144.95816	0.7
145.04932	1.3
145.10135	1.0
147.04419	1.0
147.11684	2.4
149.13260	1.6
151.14745	0.8
153.12706	0.9
158.97305	0.9
161.13261	1.7
171.11610	0.8
173.13202	0.8
175.14815	0.8
184.07234	0.6
223.20374	0.8
223.31499	0.8
224.23798	0.6
252.23244	26.6
259.09644	0.9
270.24286	67.1
271.24606	2.0
287.05453	2.4
288.05878	6.9
288.25342	100.0
289.25574	2.1
293.21167	1.1
294.24106	1.1
303.04959	1.4
304.05328	3.2
312.25302	1.3
330.26300	1.2
348.25320	1.4
348.77078	0.6
360.25323	1.8
366.26385	2.3
378.26321	1.8
396.27490	5.1
414.28476	5.8
432.23755	2.9
432.29477	6.5
450.17938	0.9
450.24765	1.6
450.30603	23.5
451.18988	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.1
55.05510	9.3
56.05035	7.4
57.03440	5.3
57.63533	2.4
60.04519	9.8
61.02933	4.1
63.48570	2.5
67.05525	16.4
69.03424	8.6
69.07080	14.3
70.06602	31.9
71.02092	2.8
71.02440	5.5
71.04994	4.2
72.08164	21.2
77.34136	2.2
79.05511	13.9
81.07063	32.1
83.04990	9.1
83.08604	7.6
84.04513	4.2
84.08157	19.5
85.02911	18.8
85.06538	4.1
86.09716	18.8
87.04460	5.1
87.10023	3.6
91.03960	3.1
91.05469	10.8
93.07048	25.1
95.04981	7.2
95.06111	4.9
95.08619	22.0
97.02913	6.8
97.06539	12.8
98.06059	4.3
99.04472	6.4
105.07035	32.2
107.04937	3.9
107.08608	29.1
109.02852	4.0
109.06527	17.7
109.10192	10.4
110.07190	14.1
111.08123	3.8
114.96673	2.8
116.07095	3.6
119.04848	2.5
119.08611	24.9
120.08124	31.4
121.06532	14.8
121.08452	4.2
121.10194	22.0
123.08104	16.0
123.11720	27.8
127.03898	3.0
127.07535	9.8
129.10223	9.2
131.08600	3.9
133.10123	10.7
135.08070	6.8
136.04715	2.8
137.06003	3.7
137.09586	4.1
139.07561	8.9
145.10138	7.7
146.05960	4.6
147.04189	2.5
147.11705	89.9
149.09587	2.6
149.13258	7.6
157.10143	5.0
159.11601	2.6
161.13246	5.3
163.14763	4.0
165.12767	90.1
171.11665	5.4
175.11188	7.6
183.13824	17.4
184.07361	4.0
185.13234	2.6
188.07094	4.8
189.12727	10.3
191.14268	4.6
193.12277	19.2
199.11108	4.3
207.13826	6.5
209.15422	7.2
211.13231	3.1
217.12225	14.5
219.15060	5.4
229.14369	86.8
235.13371	29.6
252.23111	4.7
253.14403	100.0
259.09607	4.7
270.24109	4.7
287.05490	25.8
288.05859	67.9
288.25253	7.0
385.00516	3.5
450.10910	10.3
450.23605	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	450.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.1
55.05510	9.3
56.05035	7.4
57.03440	5.3
57.63533	2.4
60.04519	9.8
61.02933	4.1
63.48570	2.5
67.05525	16.4
69.03424	8.6
69.07080	14.3
70.06602	31.9
71.02092	2.8
71.02440	5.5
71.04994	4.2
72.08164	21.2
77.34136	2.2
79.05511	13.9
81.07063	32.1
83.04990	9.1
83.08604	7.6
84.04513	4.2
84.08157	19.5
85.02911	18.8
85.06538	4.1
86.09716	18.8
87.04460	5.1
87.10023	3.6
91.03960	3.1
91.05469	10.8
93.07048	25.1
95.04981	7.2
95.06111	4.9
95.08619	22.0
97.02913	6.8
97.06539	12.8
98.06059	4.3
99.04472	6.4
105.07035	32.2
107.04937	3.9
107.08608	29.1
109.02852	4.0
109.06527	17.7
109.10192	10.4
110.07190	14.1
111.08123	3.8
114.96673	2.8
116.07095	3.6
119.04848	2.5
119.08611	24.9
120.08124	31.4
121.06532	14.8
121.08452	4.2
121.10194	22.0
123.08104	16.0
123.11720	27.8
127.03898	3.0
127.07535	9.8
129.10223	9.2
131.08600	3.9
133.10123	10.7
135.08070	6.8
136.04715	2.8
137.06003	3.7
137.09586	4.1
139.07561	8.9
145.10138	7.7
146.05960	4.6
147.04189	2.5
147.11705	89.9
149.09587	2.6
149.13258	7.6
157.10143	5.0
159.11601	2.6
161.13246	5.3
163.14763	4.0
165.12767	90.1
171.11665	5.4
175.11188	7.6
183.13824	17.4
184.07361	4.0
185.13234	2.6
188.07094	4.8
189.12727	10.3
191.14268	4.6
193.12277	19.2
199.11108	4.3
207.13826	6.5
209.15422	7.2
211.13231	3.1
217.12225	14.5
219.15060	5.4
229.14369	86.8
235.13371	29.6
252.23111	4.7
253.14403	100.0
259.09607	4.7
270.24109	4.7
287.05490	25.8
288.05859	67.9
288.25253	7.0
385.00516	3.5
450.10910	10.3
450.23605	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	450.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27596	0.2
52.69342	0.3
55.01878	0.4
55.05508	0.7
56.05028	1.0
57.03418	0.4
58.06602	0.6
60.04514	0.2
60.07886	0.4
60.08172	6.3
67.05503	1.2
69.03424	0.6
69.07071	0.9
70.06595	2.4
71.04977	0.4
71.07379	3.0
71.49467	0.6
72.08157	1.6
79.05479	1.0
81.03417	0.4
81.07066	1.4
83.04968	0.7
83.06085	0.3
83.08592	0.3
84.04499	0.5
84.08161	1.2
85.02903	0.8
86.09714	34.2
87.10040	0.9
89.22143	0.3
91.05505	1.4
93.07047	0.8
95.04967	0.4
95.08607	0.9
97.02886	0.5
97.06526	1.1
98.98488	3.7
104.10748	3.7
105.07019	1.4
106.07340	0.4
107.08581	0.6
109.06496	0.4
109.10186	0.5
110.07157	0.4
111.04426	0.4
115.08727	0.3
119.08577	1.1
120.08150	1.4
120.08901	0.4
121.06543	0.3
121.10107	0.8
125.00018	22.3
127.03919	0.3
128.91406	0.2
129.10257	0.5
130.06531	0.3
131.08585	0.5
133.10172	0.5
135.11685	0.3
143.08539	0.4
145.10138	0.6
147.11624	0.4
157.10185	0.5
159.11650	0.5
161.02460	0.3
163.03885	0.5
163.14793	0.3
171.11392	0.3
173.02475	0.3
178.99939	0.3
184.07358	100.0
185.07674	0.8
201.16304	0.4
211.11023	0.3
214.16718	0.3
215.07011	0.5
215.25067	0.2
233.87810	0.3
259.09616	0.9
270.23132	0.3
285.73990	0.3
287.05481	1.0
288.05856	1.7
293.06775	0.3
390.97678	0.5
418.97284	0.9
432.21323	0.6
450.22455	2.6
450.28513	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71320	1.1
50.71624	1.5
53.03947	1.6
55.93508	1.2
57.03436	1.6
59.05007	69.9
60.04519	2.0
67.05475	1.4
67.17696	1.1
68.05038	1.3
69.03436	9.2
69.59180	5.8
70.06601	7.1
71.05006	2.0
72.08154	5.2
73.02922	2.5
74.06117	1.6
79.05066	2.3
79.05493	22.0
80.05021	3.1
80.64722	1.1
81.03417	10.2
81.07041	1.6
83.04991	2.3
83.06092	1.6
83.23844	1.3
84.04511	2.9
84.08145	3.6
85.02898	5.6
86.09709	2.5
87.04483	2.5
89.03951	1.3
90.64956	1.3
92.71996	1.1
95.04980	1.4
95.06087	7.6
97.02897	5.3
97.06541	2.2
98.06059	14.3
98.20760	2.0
99.04459	3.4
101.06026	16.8
106.79996	1.4
107.04964	6.4
109.02895	4.0
112.08730	13.0
115.03939	5.2
116.07081	3.4
117.03386	5.9
121.02864	2.0
123.04422	2.0
124.07623	6.7
125.06007	54.0
126.05543	1.5
127.03928	4.0
129.05489	85.4
136.07582	2.4
142.08646	100.0
145.02870	16.5
145.04941	1.9
147.04420	1.4
147.06526	4.2
149.05966	2.5
153.01816	4.0
160.09709	37.7
177.05482	30.1
213.05432	1.3
219.02538	1.2
232.09738	2.3
234.41289	1.3
273.09732	3.2
287.05524	22.9
288.05869	61.1
288.13312	9.7
291.10782	2.2
336.14154	1.8
388.15909	1.9
399.75134	1.3
414.17691	2.1
432.18591	10.0
450.19574	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	450.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44179	0.6
68.05013	1.6
69.03440	0.8
70.06593	0.7
70.20121	2.6
72.08137	1.0
73.85851	0.6
83.06108	3.4
84.04494	0.5
84.08157	0.6
85.02877	0.9
86.09718	0.8
89.03923	6.4
91.05525	0.6
95.06096	33.3
106.82877	0.6
112.08737	71.7
115.33624	0.6
117.03390	23.2
129.05394	0.8
134.03613	0.8
134.16594	0.6
138.06676	3.7
142.08627	1.3
145.02856	68.6
146.03229	0.9
147.04332	0.7
149.05972	8.7
153.01837	0.9
160.09671	0.8
177.05481	100.0
178.05803	1.2
212.63304	0.6
270.12289	1.5
287.05493	6.1
288.05923	15.7
288.13431	47.1
426.13940	0.7
450.18750	42.2
451.19199	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.0
53.82588	1.1
53.84468	1.3
54.88906	1.1
55.01860	1.8
55.05501	4.2
56.05040	6.1
57.03421	2.5
58.99578	1.9
59.22057	1.2
60.04515	1.6
61.01136	1.7
65.03937	2.4
67.05489	3.8
68.05028	2.8
69.03422	5.5
69.07063	2.5
70.02972	1.7
70.06598	33.2
71.04993	7.7
71.06918	1.3
71.49488	1.7
72.07758	1.7
72.08157	28.7
73.02927	1.3
74.06087	3.4
76.02219	5.2
79.05077	1.5
79.05499	19.3
80.05011	3.2
81.03428	7.1
81.07052	5.0
83.04996	2.3
84.04507	19.7
84.08148	37.6
85.01132	1.5
85.02908	14.1
85.08467	1.8
86.09708	22.3
86.23093	1.2
87.05595	1.4
87.10037	1.4
88.03982	1.9
89.10799	1.7
91.05487	42.3
93.07051	26.2
95.04977	4.9
95.06081	4.0
95.08603	5.2
97.01109	2.4
97.02895	7.8
97.06570	1.9
98.06066	9.6
99.02670	4.1
100.07673	1.3
101.00631	5.8
101.07126	2.4
102.05571	3.2
104.05365	1.5
105.00069	2.6
105.07046	8.9
107.04932	3.8
107.08595	3.5
109.02850	1.8
110.06065	1.8
110.07148	3.4
110.09689	2.0
111.02677	8.4
111.08021	1.4
112.08713	4.3
112.11238	1.7
115.08690	1.9
116.06271	2.7
116.07052	2.7
117.06999	2.9
119.04943	12.4
119.08573	9.6
120.08098	11.9
120.45759	1.1
121.02903	2.9
121.06500	2.4
121.10155	7.7
122.02718	23.5
123.04445	1.9
124.07616	1.3
125.04241	1.8
126.03716	1.4
126.09198	1.4
127.03882	3.0
129.06963	4.5
129.10248	16.5
130.05014	9.5
130.07748	1.8
130.10529	1.6
131.08574	24.5
133.10072	1.6
135.04407	1.3
136.07597	3.6
137.02321	2.6
137.06013	1.6
141.10201	1.9
142.08633	11.9
145.02826	4.6
145.04941	5.4
145.06104	3.5
146.05986	1.4
147.04419	53.8
147.07648	5.5
148.03447	2.0
149.09641	14.3
153.01834	3.5
154.02138	2.2
155.11749	1.3
157.06786	1.8
159.09071	1.3
163.03886	1.8
163.05852	4.4
165.01762	1.4
165.05545	1.2
175.07771	2.4
177.05487	5.9
181.06837	30.3
183.04684	1.6
187.14401	2.6
188.07008	1.4
200.07410	2.8
205.09857	1.4
219.11276	1.8
224.00053	1.6
230.08266	1.3
232.09615	1.5
248.03732	3.6
250.10553	1.7
252.10519	11.6
253.08948	3.9
259.05655	1.6
270.11618	37.1
276.03317	4.8
287.05502	41.4
288.05856	100.0
288.12469	9.1
289.06000	2.5
300.12360	1.4
422.85126	1.4
450.08389	2.9
450.17560	2.7
450.26392	3.2
450.60223	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	449.384
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05586	0.3
55.05517	2.6
57.07080	34.4
59.04994	0.3
67.05506	0.4
69.07072	3.2
71.08637	31.8
71.51280	0.5
71.51636	0.5
73.06562	4.9
81.07080	0.5
83.08630	3.5
85.09660	0.5
85.10191	18.8
87.04465	2.4
89.06038	100.0
91.07624	0.4
95.08627	0.6
97.06505	0.5
97.10174	3.8
99.11726	2.3
107.07084	1.8
111.11752	2.1
113.13312	1.7
117.09175	1.1
121.10115	0.5
125.13371	0.8
127.14847	1.0
130.08640	2.0
133.08614	39.4
139.14764	0.4
141.16356	0.7
151.09663	2.9
155.17995	0.9
177.11226	7.0
195.12283	1.7
211.24278	0.8
212.02325	0.3
224.97845	0.3
237.10849	0.4
239.14899	8.5
256.81006	0.3
287.05707	0.4
299.29517	0.7
317.94958	0.4
405.35770	0.8
449.38657	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	449.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.2
53.63537	5.0
55.01879	9.1
55.05500	21.3
57.03426	14.5
57.07064	5.7
61.02922	12.5
64.75040	6.2
67.05517	37.8
68.55724	4.7
69.03439	55.4
69.07065	24.3
71.04999	8.2
73.02913	7.8
79.05505	37.6
81.03410	19.4
81.06588	7.9
81.07057	100.0
83.04967	17.4
83.08619	12.6
85.02912	71.5
87.04467	11.2
91.05492	31.2
93.07047	75.8
95.04966	13.5
95.08617	73.2
97.02911	41.4
97.10181	9.8
99.04455	14.7
105.07040	74.1
107.08603	89.1
109.02891	8.3
109.06528	10.1
109.10151	51.4
117.07035	9.8
119.08589	84.5
121.10155	60.1
123.08060	11.2
123.11681	24.1
125.09673	5.7
126.47169	6.4
127.03922	30.4
129.07007	9.1
130.07793	6.5
131.08597	36.2
133.06459	5.5
133.10155	59.6
135.11674	27.4
142.07753	7.7
143.08566	23.1
145.05006	11.2
145.10114	48.9
147.11705	42.8
149.13249	21.6
151.07503	5.7
156.09410	7.5
157.10165	40.6
159.11716	56.5
161.13248	33.5
163.14819	39.5
169.10197	10.0
171.11678	22.9
173.13254	25.8
175.14812	19.3
183.11720	8.5
185.13228	21.5
187.14822	13.3
189.16396	49.4
191.14258	6.2
197.13184	7.6
199.14850	26.1
201.16354	36.2
213.16373	54.9
215.17946	18.7
225.16272	6.7
227.17902	19.2
229.19521	20.8
241.19525	10.7
263.23523	5.2
267.21320	9.8
269.22681	95.8
271.24185	9.2
287.05472	22.8
287.23660	39.3
349.94589	5.6
431.27634	8.4
449.21844	7.5
449.28751	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	13.8
55.01878	6.1
55.05516	16.3
57.03426	9.7
57.07078	8.1
60.64943	4.3
61.02922	13.3
65.03935	5.1
67.05503	40.4
69.03436	60.1
69.07076	28.1
70.55549	7.4
70.55895	10.8
71.04999	9.3
73.02927	8.4
79.05501	35.4
79.72186	5.2
81.03440	29.0
81.07060	97.4
83.05001	8.6
83.08611	15.2
85.02914	100.0
85.06547	8.0
87.04447	12.0
91.03939	8.7
91.05488	44.9
93.07060	90.3
95.04998	13.0
95.08618	88.6
97.02898	42.0
97.06557	8.1
97.10227	6.8
99.04436	6.1
105.07038	79.7
106.22218	4.6
107.07899	7.8
107.08598	86.8
109.02913	10.8
109.10163	61.1
111.08056	6.3
115.03979	5.3
117.07018	12.0
119.08591	92.2
121.06493	6.9
121.10152	55.0
123.08054	9.2
123.11731	24.7
127.03939	27.0
129.07008	11.6
131.08553	35.6
133.10143	44.0
135.11734	23.3
137.09601	4.9
142.07771	11.1
143.08588	26.0
145.04968	12.7
145.10141	56.0
147.11716	49.9
149.13239	34.4
151.07573	15.5
151.11205	10.3
155.08585	5.9
156.97565	4.8
157.10138	39.1
159.11696	59.9
161.13257	46.1
163.11188	7.0
163.14801	10.1
165.12744	5.5
169.10118	6.1
171.11684	35.6
173.13319	33.4
175.14861	37.2
177.16516	6.0
183.11729	5.6
185.13272	24.8
187.14847	19.6
189.16396	18.5
191.14458	4.5
197.13278	8.1
199.14835	21.9
199.17554	5.1
201.16411	24.4
213.16467	38.1
223.07385	5.6
227.17979	15.2
229.19534	15.0
231.17313	5.5
269.22653	89.0
271.23813	4.9
277.76520	4.7
287.05539	36.4
287.23773	30.1
328.22910	5.6
413.27130	8.6
449.29498	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00286	5.3
53.03945	8.5
53.39554	5.7
55.05506	21.5
57.03431	22.3
61.02934	14.5
67.05511	36.5
69.03435	48.6
69.07072	24.0
71.04737	9.9
71.31915	6.4
73.02927	6.0
79.05497	38.4
81.03423	17.6
81.07071	100.0
83.05005	7.6
83.08612	11.0
85.02914	85.3
87.04515	5.1
91.05474	34.0
93.07056	66.4
95.04956	7.2
95.08624	64.6
97.02896	34.8
97.10181	6.5
99.04553	6.1
105.07042	79.2
107.08605	82.6
109.02883	10.7
109.10170	46.1
117.07030	8.4
119.08596	65.5
121.06519	6.4
121.10149	39.3
123.11715	13.2
124.49385	5.1
127.03917	19.5
128.06192	6.6
131.08606	26.2
133.10153	43.1
135.11710	38.6
141.07019	6.6
142.07773	9.0
143.08586	22.3
145.04956	12.9
145.10149	49.6
147.11726	58.2
149.13306	34.7
155.08586	9.6
155.97820	5.6
157.10135	39.1
159.11711	56.7
161.13310	32.3
163.14842	9.5
169.10194	8.6
171.11725	25.1
173.13341	28.4
175.14861	29.9
177.12816	7.2
183.11664	7.0
185.13237	17.6
187.14874	27.2
189.16486	12.1
199.14781	27.0
201.16406	25.4
213.16417	39.1
227.17953	16.0
229.19527	20.1
248.31081	6.1
267.21072	6.5
269.22656	72.5
287.23764	36.7
376.67172	6.4
431.28204	10.7
449.28616	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	11.2
55.01886	5.8
55.05518	19.9
57.03434	13.0
57.07080	7.7
61.02922	13.2
65.03943	5.3
67.05512	27.3
67.13164	3.5
69.03436	43.3
69.07070	19.5
69.28425	3.6
70.80435	10.6
71.05003	9.4
73.02924	5.1
75.52453	4.0
79.05494	24.4
81.03438	25.8
81.07060	85.2
83.05001	3.7
83.08623	8.4
85.02911	97.0
87.04482	6.6
91.03983	3.4
91.05488	36.9
93.07053	79.0
95.04951	4.5
95.08608	51.9
97.02899	37.1
97.06558	5.4
97.83977	3.5
99.04474	9.7
105.07037	81.3
107.08598	84.5
109.02894	8.4
109.08883	3.7
109.10171	39.1
117.07030	9.9
119.07815	5.5
119.08595	60.9
121.10152	40.0
123.11727	12.9
127.03878	23.8
128.06248	5.2
129.07019	9.1
131.08580	27.4
133.10146	46.6
135.11682	28.1
142.07791	10.2
143.08572	23.8
145.04970	16.4
145.10143	50.3
147.11702	61.4
149.13271	12.3
152.10333	3.6
156.09323	4.5
157.10143	43.5
159.11700	66.6
161.13268	43.1
163.14856	4.8
169.10158	7.6
170.10860	4.2
171.11729	32.9
173.13272	39.6
175.14868	26.4
179.14252	3.8
183.11740	5.4
185.13298	29.6
187.14839	22.5
189.16406	9.4
198.48927	3.5
199.14871	28.7
201.16434	26.2
204.45638	3.5
205.15994	4.3
209.13290	3.9
211.14862	8.1
213.16408	41.0
213.92770	3.8
215.18015	4.0
225.16287	4.7
227.17978	17.5
229.19539	14.2
241.19547	4.7
269.22656	100.0
270.12747	3.5
271.24277	3.9
287.23703	40.0
315.89618	3.7
431.28271	4.5
449.29114	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	449.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	9.3
55.01873	10.7
55.05510	17.1
57.03430	10.3
57.07071	3.8
61.02913	11.9
66.81174	3.7
67.05508	36.4
69.03436	35.8
69.07065	15.6
71.04976	8.5
71.07751	9.5
79.05506	42.6
81.03414	19.2
81.07066	100.0
81.69176	3.7
83.05003	5.7
83.08627	7.9
83.67044	4.1
85.02914	77.9
85.06528	3.9
87.04463	4.2
91.03912	4.4
91.05492	39.6
93.07047	56.5
95.04970	11.3
95.08063	6.2
95.08615	71.8
97.02887	32.7
97.06515	11.8
97.10146	4.7
97.57139	4.3
99.04462	9.9
105.07047	66.1
107.08599	63.3
109.02862	8.0
109.06534	8.3
109.10169	48.9
111.04438	5.7
111.08073	6.9
115.42543	3.9
117.07027	14.3
118.41021	3.5
119.08595	68.9
121.06522	3.8
121.10154	31.7
123.08073	8.2
123.11739	21.0
125.09544	4.5
127.03922	14.9
129.07005	15.6
131.08566	32.7
133.10149	49.6
135.08139	4.8
135.11703	32.5
137.09607	4.7
141.06972	6.0
142.07759	7.3
143.08588	21.2
144.09383	6.7
145.04988	16.3
145.10153	40.8
147.11681	34.4
149.09616	7.7
149.13261	24.2
155.08585	8.2
156.09363	7.4
157.10143	28.8
159.11697	53.9
161.13228	22.9
163.14845	13.6
169.10130	10.2
170.10895	5.5
171.11766	27.2
173.13326	31.2
175.11201	4.6
175.14803	16.0
177.12747	5.7
181.10100	4.5
183.11769	9.6
185.13272	19.4
187.14885	21.0
189.16423	12.5
195.11713	5.3
197.13333	5.9
199.14799	24.9
201.16397	20.3
211.14865	7.2
213.16417	29.3
225.16278	6.0
227.18004	11.3
229.19449	18.9
241.19537	5.5
267.21143	9.0
269.22702	71.1
287.05609	8.7
287.23727	47.9
309.22125	4.8
327.23413	5.7
395.26010	4.6
413.26898	6.4
431.27991	16.2
449.29083	37.6
470.87463	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	449.29
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	17.0
57.03437	15.8
58.84580	5.2
61.02917	14.4
67.05502	33.2
69.03443	42.1
69.07059	21.3
71.11127	13.4
73.02938	11.0
77.86443	4.9
79.05486	20.6
81.03420	13.5
81.07063	76.8
83.08624	5.5
85.02912	100.0
87.04454	5.6
91.05474	23.0
93.07051	65.2
95.04946	6.6
95.08617	54.0
97.02908	43.7
99.04451	9.8
105.07046	71.9
107.08604	82.0
109.02882	11.2
109.10156	50.5
113.84624	5.5
117.07021	10.3
119.08581	70.2
121.10142	38.3
123.11699	17.2
127.03889	14.8
129.06979	6.3
131.08574	38.2
133.10129	38.5
135.11702	27.0
137.57475	5.8
143.08577	16.8
145.04965	7.9
145.10141	44.7
147.11702	45.2
149.13264	26.2
156.09367	9.6
157.10117	41.4
159.11696	46.8
161.13255	33.2
163.14856	12.0
171.11734	27.1
173.13242	27.5
175.14792	26.6
185.13283	15.2
187.14812	19.0
189.16370	17.9
193.58568	8.3
193.69292	6.9
197.13213	6.0
199.14825	23.2
199.59373	5.3
201.16380	23.4
203.17780	7.2
213.16432	35.8
215.18007	7.4
215.45616	6.1
217.15871	5.4
227.17989	16.2
229.19557	23.2
242.27676	5.1
267.21286	5.6
269.22675	84.3
274.45575	6.1
287.05627	11.3
287.23666	34.3
331.09650	5.0
418.56528	5.8
443.47397	5.2
449.28906	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	11.9
53.84402	4.3
54.11266	4.4
55.01870	6.6
55.05518	20.3
55.87908	3.6
57.03443	9.4
57.07083	6.7
61.02934	18.7
65.12714	3.2
67.05509	34.0
69.03437	46.0
69.07080	30.7
71.05001	8.6
71.27818	6.4
73.02921	8.2
79.05496	25.2
81.03425	18.5
81.07059	88.4
83.08613	7.6
85.02914	100.0
87.04479	14.7
91.03966	5.7
91.05494	43.9
93.07050	76.8
95.04975	12.1
95.08612	48.8
97.02895	38.7
97.10174	6.3
99.04449	8.0
105.07024	67.0
107.08601	75.7
109.02884	15.7
109.06517	10.8
109.10166	34.9
111.04466	4.9
117.07020	8.8
119.08582	67.0
119.09369	5.2
121.10140	39.3
123.08115	4.1
123.11705	15.4
127.03911	23.9
128.06264	6.5
129.06998	9.4
131.08575	29.6
133.10143	41.4
135.11671	31.1
136.06198	15.6
137.05957	18.2
142.07791	10.8
143.08551	21.3
144.09435	4.9
145.04982	11.2
145.10143	47.6
147.11688	52.3
149.09538	4.0
149.13281	14.3
153.86919	3.9
155.08562	7.8
156.09383	7.6
157.10139	36.7
159.11696	57.3
161.13290	39.5
163.14861	8.3
170.10931	3.6
171.11710	34.0
173.13306	32.9
175.14842	14.6
183.11717	5.9
185.13274	15.5
187.14822	21.9
189.16417	11.5
199.14828	31.9
201.16426	27.4
203.17947	3.9
211.15086	4.6
213.16444	34.2
215.17842	3.9
227.17944	18.1
229.19510	9.5
241.48346	4.5
267.21286	4.7
269.22681	69.6
271.24371	5.2
277.18079	12.6
287.05573	24.2
287.23737	35.8
319.95114	4.8
449.29150	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.4
55.01865	3.3
55.05515	17.9
57.03433	10.9
57.07084	5.5
59.04990	3.7
61.02917	14.5
65.03966	4.8
67.05515	31.9
69.03438	47.4
69.07076	28.1
71.04990	7.5
71.08605	3.8
71.50395	5.8
73.02925	7.1
79.05510	30.0
81.03420	23.1
81.06590	5.6
81.07063	90.0
83.04971	3.9
83.08610	7.3
85.02911	100.0
87.04459	7.5
91.03973	4.6
91.05490	38.4
93.07054	83.6
95.04959	6.2
95.08602	38.8
97.02903	41.6
99.04459	6.5
105.07040	77.3
107.04943	4.3
107.08607	77.7
109.02883	12.0
109.06564	4.7
109.10160	29.9
111.11702	2.8
114.32484	2.7
115.36832	3.1
117.07036	9.7
119.08591	61.2
121.10161	34.2
123.08123	4.3
123.11707	12.7
125.09677	3.5
126.44359	3.0
127.03964	18.7
128.06259	6.7
129.07007	11.6
131.08551	26.4
133.10143	40.7
135.11700	29.6
136.06218	10.6
137.05989	10.6
142.07770	8.5
143.08592	19.0
144.09361	3.6
145.04982	14.8
145.10138	38.6
147.11694	48.2
149.09662	4.1
149.13255	9.3
156.09349	5.7
157.10158	40.1
158.10913	5.7
159.11705	54.9
161.09654	2.9
161.13283	37.4
163.11118	4.6
163.14812	5.4
169.10107	6.4
170.11011	3.9
171.11711	27.4
173.13280	34.4
175.14796	16.7
183.11780	4.1
185.13277	23.7
187.14822	22.1
189.16403	8.2
199.14835	24.3
200.15576	3.7
201.16420	26.2
202.17061	4.0
203.17970	6.8
213.16435	35.1
215.17932	4.6
227.17989	13.1
229.19551	13.2
231.17410	4.0
267.21204	2.9
269.22681	67.9
277.18091	9.0
278.50522	3.1
280.07480	3.4
287.05612	26.3
287.23682	30.3
351.21735	4.2
449.29404	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	449.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40430	2.9
55.05515	20.8
57.03447	29.5
57.07077	19.0
65.03941	4.4
65.43363	2.7
67.05509	44.3
69.03410	2.8
69.07072	21.8
69.74261	12.7
71.08628	9.2
79.05490	12.3
81.07064	46.5
83.08637	17.6
85.10185	6.7
91.04967	4.0
91.05491	10.2
93.07059	14.4
93.30011	2.7
95.08619	40.7
97.10169	6.9
98.20853	5.5
98.98479	28.9
99.08072	3.8
105.07085	6.7
107.08603	7.2
109.10207	16.0
111.14577	3.3
113.00026	96.0
119.08583	3.7
121.10143	3.7
123.11741	3.9
123.66041	2.7
133.10110	5.3
135.11765	3.9
137.00003	30.2
137.13211	4.0
155.01038	23.0
158.65059	2.5
169.02635	32.5
187.03699	6.9
193.02576	5.5
211.03693	5.5
239.23767	2.8
245.22653	4.5
263.23743	8.6
287.05502	8.2
313.27383	25.0
337.27390	100.0
338.27567	4.5
449.26498	25.7
466.09924	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.9
55.05517	6.4
57.03440	0.5
57.07080	26.9
60.31979	0.4
61.37562	0.4
65.03946	8.9
67.05492	1.2
69.03428	0.8
69.07065	0.6
71.04982	1.3
71.50626	0.9
79.05499	1.1
81.03419	0.9
81.07060	1.4
83.04987	70.5
89.06026	0.5
91.05489	6.9
93.07053	0.9
95.04961	1.2
95.06105	0.4
95.08602	0.9
98.98472	7.6
103.05518	0.6
105.07040	3.1
107.04949	0.7
107.08596	1.0
109.10171	0.8
115.05472	1.5
117.07021	1.4
119.08622	2.1
121.10172	0.7
123.08106	0.5
127.03949	0.5
128.06219	0.6
129.07001	2.5
131.08583	1.6
132.09430	0.7
133.00482	0.9
133.10150	1.1
135.11739	0.5
141.07014	4.2
145.06438	0.5
145.10109	0.7
147.08058	1.4
147.11700	8.6
149.13318	0.5
151.01572	9.0
159.08061	2.3
161.13251	0.7
163.01576	5.6
163.03891	0.4
165.09114	0.7
169.07628	1.6
175.01576	9.3
177.12100	0.4
181.02614	1.5
184.07407	0.4
187.01636	1.3
221.03549	0.8
227.04706	3.6
236.97179	0.8
239.04660	1.9
254.98059	0.7
260.99246	7.4
274.08005	0.4
287.05518	6.2
309.04654	0.9
311.04553	0.6
337.02344	57.1
338.03186	0.9
376.77713	0.6
378.05029	1.0
393.08643	100.0
394.08902	1.2
417.96045	4.6
418.95526	0.6
434.11301	1.9
435.96902	0.6
449.00372	6.8
449.14966	10.7
449.27170	0.6
449.99493	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	449.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.3
55.05511	0.3
57.03424	0.6
61.02655	0.3
61.02934	5.3
68.99786	0.5
69.03422	1.1
70.06586	0.9
72.08153	0.5
73.02925	1.7
79.05488	0.5
81.03410	0.5
81.07051	0.6
84.08138	0.6
85.02910	5.2
86.09699	1.0
91.03967	2.7
97.02903	3.2
97.06538	0.7
99.04451	0.5
105.03426	0.5
105.07017	0.4
107.04983	0.3
107.08572	0.3
111.00796	0.9
115.03921	0.4
119.08543	0.3
120.08114	0.3
121.02877	2.9
121.10091	0.3
127.03907	0.9
130.06630	0.4
133.02876	0.6
133.10179	0.3
137.02342	0.8
145.05029	0.4
145.06424	0.3
147.04417	0.5
153.01849	4.6
157.06569	0.4
163.03961	0.3
165.01830	2.3
183.02908	1.0
184.07448	0.4
185.05899	0.4
195.13696	0.3
213.05466	1.8
231.06554	0.8
241.04951	0.9
258.05240	1.3
259.06097	0.6
287.05515	100.0
288.05823	1.7
299.05746	0.4
361.62732	0.3
449.17651	0.3
449.23410	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1081
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
60.79700	0.2
66.17392	0.2
68.99786	0.7
70.04726	0.7
70.05102	0.5
78.26067	0.2
85.02889	0.3
86.94145	0.2
105.03361	0.2
107.04945	0.4
109.02876	0.3
111.00797	0.7
121.02884	2.3
133.02869	0.5
135.04509	0.2
137.02370	0.9
147.04425	0.6
153.01843	4.1
157.06458	0.5
165.01862	2.1
171.04297	0.2
183.02957	0.6
185.05971	0.5
185.79385	0.2
197.05986	0.2
213.05460	1.3
231.06516	0.9
241.04976	0.6
258.05219	0.9
259.05908	0.6
287.05511	100.0
288.05856	2.6
303.39938	0.3
449.11194	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.108
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
52.20771	0.4
53.08070	0.3
53.72749	0.3
55.01857	0.3
57.03432	0.9
61.02932	4.5
63.83742	0.4
65.38476	0.3
68.99779	0.7
69.03440	1.7
70.06593	0.6
70.53853	1.0
73.02908	0.8
75.50840	0.4
81.03410	0.8
84.08157	0.5
85.02906	6.8
86.09689	0.4
91.03960	2.6
97.02900	2.8
98.84802	0.3
99.04424	0.6
101.10670	0.4
103.92496	0.4
109.02885	0.8
111.00819	0.6
117.82375	0.3
121.02884	3.5
121.03677	0.5
122.28502	0.3
127.03912	1.1
133.02824	0.5
135.04442	0.3
137.02319	0.9
145.05008	0.6
147.04407	0.6
150.68472	0.4
153.01849	5.2
157.06467	0.8
165.01840	2.7
171.04462	0.7
183.02885	1.0
185.06129	0.4
213.05502	1.5
231.06537	0.7
241.04822	0.8
250.06149	0.4
258.05124	1.0
259.06036	0.7
285.67908	0.3
287.05518	100.0
288.05890	2.6
299.05478	1.7
329.06631	1.3
353.06427	1.1
362.30045	0.4
431.10153	0.5
449.10617	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	6.1
57.07071	11.2
58.07425	3.3
59.36637	2.7
67.05497	6.1
67.50676	3.1
69.07066	12.6
70.07409	3.6
70.55809	7.9
71.08635	9.0
72.38414	2.6
75.79023	2.7
80.25783	2.4
81.07068	4.0
83.08622	7.1
85.10191	4.1
93.07075	3.3
95.08598	4.1
97.10174	8.5
109.10125	4.1
111.11738	6.2
119.08513	3.5
121.06512	17.4
136.08875	14.9
137.09647	15.5
149.09595	3.2
157.17485	2.7
164.08353	34.2
165.09137	100.0
168.61880	2.5
181.08597	4.4
188.78168	3.1
205.12291	9.7
222.78996	2.6
256.38895	2.7
311.68402	2.8
430.38077	63.5
448.38565	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	449.1086
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03926	0.6
55.01867	0.3
57.03435	0.7
61.02923	1.3
65.03920	0.3
68.99799	1.0
69.03440	3.3
70.04754	0.3
70.05092	1.1
70.06581	0.6
71.04984	0.3
72.08150	0.9
73.02933	0.5
79.05504	0.3
81.03436	1.5
81.07044	0.3
82.44398	0.3
84.08140	1.0
85.02914	8.7
86.09710	1.3
87.04445	0.3
91.03986	0.4
97.02905	3.1
99.04442	0.4
107.04971	0.4
109.02876	1.0
111.00826	0.8
113.58170	0.2
120.08135	1.7
121.02885	3.2
127.03935	1.9
129.10263	0.5
133.02859	0.4
135.04410	0.3
137.02350	0.8
138.11372	0.2
142.33427	0.3
142.81543	0.3
145.04979	1.2
147.04416	0.8
147.11353	0.3
153.00723	0.5
153.01855	4.9
157.06464	0.5
165.01837	1.9
183.02911	0.9
184.07391	0.3
185.05968	0.6
213.05502	1.5
229.04953	0.3
229.08655	0.4
231.06558	0.7
241.05000	0.6
258.05261	1.3
259.06027	0.6
269.04553	0.3
287.05527	100.0
288.05893	1.8
289.49185	0.3
294.17664	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04142	2.0
56.05028	4.6
60.04520	5.7
61.47886	1.8
67.05505	2.8
68.05017	4.0
69.03419	3.9
69.74780	7.5
69.75198	4.0
70.06599	2.6
79.05496	2.0
80.05003	2.1
81.03436	3.8
81.07057	4.3
84.04511	100.0
96.04510	22.0
97.02898	3.7
97.10148	2.1
98.06059	13.3
99.04466	2.2
109.02882	7.1
114.05540	2.6
124.04042	2.0
126.05527	99.9
127.03935	3.0
138.05510	83.6
144.06566	18.7
168.06584	22.3
172.38274	1.8
186.07625	33.2
204.08646	13.3
220.77171	1.9
249.54137	1.9
291.18307	1.9
350.70572	1.8
430.28058	3.7
433.90662	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
54.89098	0.5
55.01884	0.5
55.05276	0.6
55.05518	7.8
57.03445	8.8
57.07071	0.9
57.98338	0.4
65.03940	1.2
67.05512	28.8
69.03424	1.4
69.07072	5.4
69.84000	2.2
71.04993	1.1
79.05500	22.7
81.03424	0.6
81.07064	24.3
82.07377	0.5
83.04971	0.8
83.08637	2.5
85.06534	0.9
91.05489	10.2
93.07054	23.4
95.04951	2.4
95.08611	17.8
97.02889	0.6
97.06510	0.6
97.10191	0.7
98.06072	0.6
98.98502	0.6
99.08148	0.6
103.05477	0.5
105.04507	0.9
105.07040	7.7
105.92242	0.5
107.08609	6.3
109.06505	1.3
109.10156	6.1
117.07038	2.0
119.08587	4.2
121.10149	10.7
123.04294	0.5
123.08080	1.5
123.11745	1.4
125.09667	0.5
131.08568	3.3
133.10164	3.4
135.11679	2.8
137.09688	0.6
143.08496	0.6
145.10139	2.8
146.10448	0.5
147.08011	0.6
147.11693	1.9
149.13277	1.3
149.94385	0.4
157.10155	0.8
159.11723	1.8
160.11969	0.6
163.11070	0.6
165.09041	0.7
172.11978	0.5
173.13269	2.0
187.14818	0.5
201.68550	0.5
215.17973	1.0
216.06361	0.5
276.23227	2.0
279.78778	0.5
287.05603	1.3
307.22696	100.0
307.42734	0.6
308.23001	2.5
324.69724	0.5
416.96021	0.7
447.99875	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	448.1971
Annotation	Glycoerysodin
Peak:m/z	Relative Intensity
53.03946	1.6
55.01863	1.0
55.05515	1.8
56.05034	2.4
57.03442	1.5
60.04531	2.1
61.02937	1.3
67.05499	2.2
68.05016	1.3
69.03432	6.2
69.07052	1.6
70.06597	17.1
71.04999	2.0
71.50629	1.0
72.03920	0.8
72.08163	12.1
73.08516	1.1
74.06094	1.8
74.51412	0.9
75.68382	0.8
79.05492	2.7
81.03431	1.8
81.07059	3.1
82.06599	0.9
83.04977	1.4
84.04494	4.9
84.08148	11.0
85.02914	9.8
86.09710	18.2
87.04474	1.2
87.10043	2.9
88.04019	0.9
91.05504	4.3
93.07056	3.2
95.04965	2.6
95.06129	1.5
95.08583	1.4
96.08111	1.1
97.02886	3.6
97.06555	0.9
98.06050	2.3
99.04452	1.2
102.05547	1.7
103.05459	1.8
104.05353	1.5
105.07082	2.0
106.31477	1.0
107.04962	100.0
107.08600	2.0
109.02902	1.1
109.06554	0.9
110.07169	1.9
110.09695	1.1
111.04481	0.9
112.08772	1.2
112.11273	1.8
113.07143	1.0
115.05460	10.8
116.07096	2.7
117.07027	2.0
119.04940	1.6
119.08589	2.1
120.08099	4.1
121.02904	1.8
121.06522	4.0
122.07177	1.1
123.04478	1.9
125.06039	1.3
126.05534	1.4
127.03960	2.0
129.07095	0.9
129.10268	5.2
130.05009	1.0
131.04984	1.8
131.08574	1.5
135.04475	1.0
135.11755	1.3
136.07614	1.0
137.05986	11.2
138.06664	1.4
142.08717	1.6
143.04926	22.3
143.05992	1.5
143.08630	0.9
145.02870	1.1
145.05099	0.9
145.05319	1.2
145.06494	11.4
145.10110	1.7
147.04433	2.2
147.07887	1.1
149.02333	1.4
151.07541	1.6
152.66124	1.0
153.01862	1.5
155.08244	1.1
155.11749	1.2
157.66347	1.0
160.05215	1.6
163.03902	1.8
163.07623	1.8
173.09433	1.2
173.13278	1.3
174.24599	1.1
175.07541	11.1
178.08641	8.1
181.10097	1.2
187.14757	1.9
191.08589	1.5
194.07324	1.9
197.13365	1.4
201.06754	1.2
202.06892	1.0
209.09572	7.3
215.14326	3.3
219.08109	1.2
223.07710	1.0
224.12758	4.5
233.15331	3.2
237.09155	9.7
239.07219	2.0
251.10754	1.0
251.16528	2.4
254.09418	1.9
259.11914	1.9
263.14175	0.9
269.11755	35.2
270.12189	1.1
286.11197	2.0
286.14407	51.4
287.05527	27.5
287.14673	1.0
352.15463	1.0
448.19778	91.9
449.19870	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89890	0.6
56.05016	2.4
57.15836	0.6
60.05637	1.3
63.43964	0.5
67.55308	0.6
68.04974	0.7
69.03400	1.3
70.06573	0.6
70.50330	1.6
72.08148	1.5
76.87897	0.6
79.05489	0.9
81.03370	0.6
83.06078	2.4
84.04498	1.0
84.08128	0.6
85.02883	1.3
86.09707	0.8
91.05470	1.3
96.05560	0.6
97.02841	0.8
97.07634	0.6
98.03201	0.6
98.07172	0.7
99.04427	1.5
104.05122	0.8
105.03373	2.8
105.05764	1.5
106.06561	1.6
107.04934	1.0
111.00768	0.8
111.05558	5.6
113.07145	1.4
120.03650	0.9
120.04473	16.7
120.60537	0.6
121.02854	2.5
123.05613	1.1
126.06641	11.8
127.03876	2.6
127.07391	1.1
132.03481	1.1
132.04469	22.9
132.05455	1.0
132.08115	0.9
134.05022	0.7
134.06020	10.2
137.04649	2.5
140.08171	0.8
145.04958	1.8
146.02344	0.7
151.06166	10.0
153.01865	3.4
154.08636	3.2
159.05597	1.1
165.01886	0.9
168.08762	2.6
170.67656	0.8
172.09624	1.8
177.21266	0.6
202.09758	16.9
206.06860	0.6
216.11327	3.9
228.07724	0.7
230.09267	10.2
231.12395	1.5
232.10820	6.7
241.04887	0.8
242.09105	3.8
257.10361	7.6
257.69815	0.6
259.11920	89.2
260.12292	1.9
277.12946	2.4
278.35422	0.8
284.11462	9.5
286.12808	4.6
287.05511	59.8
301.14084	9.2
302.12469	30.0
303.12711	0.8
319.15219	2.0
363.16632	0.7
406.17276	14.8
430.18509	1.5
448.19415	100.0
449.19690	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	448.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
54.20333	0.9
55.01870	1.2
56.16583	1.0
57.03428	2.8
61.02919	3.8
65.70007	0.8
68.05022	2.7
69.03433	22.0
69.97771	3.5
69.98180	2.1
70.06584	2.9
71.04971	1.2
71.59758	0.9
73.02898	2.2
80.05045	1.0
81.03426	4.7
82.06602	5.8
83.04980	1.4
84.08144	2.7
84.74615	0.8
85.02911	24.7
85.20521	0.9
86.09711	2.1
87.04469	1.6
97.02895	7.3
98.06051	2.2
98.20789	0.9
99.04469	14.5
107.04952	1.1
108.08071	1.1
109.02892	2.4
110.06034	3.1
112.07609	11.7
113.02364	3.9
115.03954	1.1
125.06042	1.7
127.03924	38.0
128.07077	4.1
130.04984	2.1
131.03313	1.1
134.06030	2.1
136.07568	1.3
142.08661	1.9
144.06578	1.5
145.04968	46.8
154.08635	38.0
162.05499	3.2
172.09673	8.8
176.07085	1.5
180.06686	1.2
192.06563	1.9
194.08142	2.3
206.08134	1.1
224.09187	2.9
226.10718	2.4
242.10243	100.0
243.10474	1.4
268.11673	1.8
286.12857	81.3
287.05472	8.7
287.13107	1.6
316.13998	2.6
355.60117	0.9
448.18234	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
53.91206	0.9
54.82276	1.1
54.84132	0.8
55.01887	1.7
57.03437	2.3
61.26178	0.8
64.96586	0.9
67.01852	1.8
68.05023	2.4
69.03435	43.6
70.06582	2.8
70.73925	2.9
71.04988	1.8
72.08152	2.6
73.02920	2.5
79.05070	1.7
79.05499	24.2
80.05023	5.1
81.03431	10.2
81.07042	1.6
83.04976	1.7
84.04486	2.2
84.08150	2.7
85.02912	13.9
86.09704	3.5
87.04468	1.3
87.09991	1.2
91.06685	0.9
95.04978	3.3
96.08144	1.1
97.02905	4.8
97.06533	4.5
98.06065	12.8
99.04462	35.4
107.04956	5.8
109.02881	7.8
112.07620	1.8
113.02348	5.5
116.07080	2.4
124.07593	4.8
125.05064	1.9
125.06004	47.7
127.03926	90.9
128.07051	1.0
129.10173	1.2
132.40218	0.9
134.06029	1.5
142.08644	100.0
145.04970	13.0
154.08640	7.6
160.08368	1.6
160.09706	32.2
161.10071	1.0
172.09703	17.6
191.32944	0.9
205.85825	1.0
216.97658	1.1
226.38258	0.9
242.10223	7.6
250.10730	1.1
253.07098	1.1
257.06705	1.6
259.11935	3.7
262.55334	1.2
268.11856	1.3
271.08115	4.9
280.35706	0.9
286.12872	21.2
287.05505	31.6
289.09222	1.1
386.14532	2.0
394.15100	1.6
412.16013	3.4
430.17218	7.0
448.18256	29.7
452.39081	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.01873	1.7
57.03427	2.8
61.02940	4.9
67.05514	0.9
68.05027	2.5
69.03089	1.3
69.03435	17.6
69.96709	1.9
69.97124	1.4
70.06590	2.7
71.04974	1.0
72.08147	2.5
73.02928	1.8
73.08489	0.7
76.38538	0.6
77.05048	0.7
79.05474	1.0
80.05006	0.9
81.03448	3.8
82.06583	5.4
84.04495	1.2
84.08158	1.7
85.02913	22.4
86.09711	2.7
87.04469	1.5
87.10049	1.3
91.03942	1.3
94.06594	1.0
97.02901	7.1
98.06056	2.2
99.03851	1.1
99.04461	14.4
107.04938	1.6
108.08102	1.2
109.02892	2.3
110.06029	2.5
112.07616	9.8
113.02361	3.5
115.03953	0.9
117.83573	0.7
121.02872	2.0
125.05969	1.8
126.09161	1.7
127.03934	30.5
128.07066	2.9
130.04999	1.3
134.06047	2.0
135.15709	0.8
135.41864	0.7
136.07565	1.4
137.02254	0.7
142.08636	2.5
144.06573	1.0
145.04974	43.6
148.07637	1.0
151.82385	0.7
153.01862	2.4
154.08646	42.7
162.05518	3.1
162.53133	0.7
165.01849	1.9
170.40379	0.7
172.09695	14.4
172.53383	0.8
176.07140	0.9
180.06573	1.5
183.03030	1.0
192.06584	2.2
194.08113	1.9
213.05367	1.1
213.09111	0.8
224.09169	2.6
226.10765	3.4
231.06599	0.8
240.12306	1.2
241.05099	0.8
242.10257	100.0
243.10680	1.7
254.10233	0.9
259.11981	1.8
268.11871	4.3
286.12875	87.9
287.05527	60.0
287.08832	1.3
287.12994	2.0
316.13947	1.6
448.18283	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	448.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
56.05006	0.7
57.03445	1.3
58.99577	3.2
60.04519	2.0
68.97467	0.7
69.03422	2.6
70.00291	3.1
70.06586	1.7
72.08147	2.3
73.04758	0.7
74.06089	1.0
76.02230	8.7
81.03416	1.0
83.06070	0.8
83.57909	0.7
84.04497	1.3
84.08146	3.4
84.16174	0.7
85.02898	6.1
86.09714	4.6
86.99055	2.4
87.05598	2.4
88.04020	0.7
95.04980	12.2
95.06058	1.1
96.22842	0.7
96.64608	0.7
97.02888	1.7
98.06071	0.9
99.04459	1.5
100.02209	3.1
105.00089	4.2
108.71303	0.8
109.02895	1.0
110.07158	1.1
112.07577	1.5
119.01958	1.3
121.06502	1.1
122.00809	0.7
122.02738	63.3
123.04437	100.0
124.03947	1.2
124.04799	1.3
125.05999	1.0
127.03934	2.9
129.10217	2.2
130.04984	0.8
131.01921	0.8
142.08656	3.8
143.01883	0.8
145.04964	1.8
147.04417	3.9
149.02399	0.8
154.08655	2.1
161.03073	1.6
165.05486	53.6
172.09711	0.9
173.12860	1.7
202.09753	1.0
203.03983	1.1
203.64664	0.7
212.07726	0.9
224.07851	0.7
245.04860	0.9
248.08804	1.3
259.11905	4.9
261.46371	1.0
273.08182	1.5
284.08014	3.8
286.07504	4.3
286.12860	2.1
287.05542	4.0
291.09326	1.1
302.12378	2.0
319.08609	1.9
337.09735	1.4
385.13440	0.8
448.19293	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	447.3837
Annotation	13'-hydroxy-alpha-tocopherol
Peak:m/z	Relative Intensity
55.05516	51.1
57.06797	4.8
57.07078	79.2
60.23443	3.4
67.05491	8.8
69.07074	100.0
71.03422	8.1
71.08637	57.0
81.07039	13.3
83.08156	5.2
83.08624	64.0
85.09787	3.7
85.10201	35.2
88.23474	3.5
91.05468	4.0
93.07023	6.1
95.08604	8.9
95.57296	3.6
97.10184	60.1
99.11780	4.9
105.07022	4.9
107.08625	10.0
109.10155	8.3
111.11729	38.7
115.51527	4.0
118.64316	3.6
119.08591	6.0
121.06448	4.1
125.13261	16.0
135.08058	13.2
137.09625	9.3
139.07544	29.2
139.14792	6.1
149.02361	86.7
149.09637	9.6
151.07533	16.6
153.09119	16.6
163.07454	6.3
163.11177	6.0
164.08325	6.7
165.09125	87.3
166.06358	6.0
167.03412	9.1
167.07013	6.5
169.08539	9.2
170.06938	3.8
171.90480	3.8
177.09116	8.5
181.08606	38.9
190.09912	4.3
191.10654	10.0
205.12265	7.1
429.37018	12.4
430.38022	15.9
447.38361	80.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43994	3.0
53.03938	11.3
55.01861	12.0
55.05520	21.0
57.03426	15.2
57.07067	6.7
57.11029	3.3
58.62682	3.3
61.58489	3.3
65.03936	7.9
67.05180	5.1
67.05512	69.6
69.03441	34.7
69.07084	23.2
70.06604	4.3
71.01353	6.3
71.04974	6.7
71.50471	5.1
73.02924	7.1
77.28673	3.6
79.05499	47.7
81.03416	23.0
81.06596	6.7
81.07066	93.1
82.83546	3.7
83.04976	11.2
83.08630	6.5
85.02923	24.9
85.06583	3.7
86.09735	3.4
87.85355	3.6
91.05484	54.6
93.06490	5.9
93.07056	100.0
93.11620	3.6
95.04987	26.2
95.08616	81.6
97.02905	11.1
97.06524	9.9
97.10178	10.9
97.64291	3.1
99.04469	5.5
103.05501	3.6
105.07041	77.5
107.04955	5.1
107.07887	4.4
107.08607	77.7
109.02863	8.2
109.06520	13.5
109.10172	55.5
111.04468	8.6
111.08076	10.1
117.07030	15.9
119.07812	6.4
119.08595	89.7
121.06531	14.6
121.09334	5.3
121.10153	70.8
123.04416	6.3
123.08070	16.6
123.11720	17.0
125.09628	6.8
127.03949	7.8
128.06232	6.9
128.69794	3.7
128.80728	4.7
129.05547	7.5
129.07021	8.0
131.08588	42.8
133.10143	40.6
135.08038	15.6
135.11696	29.2
136.79893	3.8
137.06001	4.8
137.09583	11.2
137.13289	3.9
141.07010	6.1
142.07770	9.8
143.08588	21.5
145.06444	4.9
145.10150	52.4
147.08064	9.1
147.11688	39.0
149.02339	15.6
149.09608	9.3
149.13226	19.2
151.07547	4.2
151.11185	6.1
153.07007	3.7
155.07303	3.9
155.08592	14.0
156.09299	3.7
157.10159	31.8
158.10869	4.0
159.08090	7.1
159.11729	48.9
161.07480	3.4
161.09666	7.9
161.13309	30.3
163.11229	8.8
163.14854	10.7
165.09131	59.6
167.08441	4.1
168.09315	5.0
169.10117	17.3
171.11728	24.2
173.09645	7.4
173.13284	36.4
175.11163	13.6
175.14862	12.7
176.22775	3.9
177.12827	4.9
181.10127	8.7
182.11055	3.6
183.11649	16.0
184.07417	4.1
185.13316	18.9
187.11197	7.7
187.14868	22.4
189.12685	9.9
189.16376	15.1
191.14375	5.0
193.10231	4.8
195.11696	6.5
197.13257	17.0
199.11148	5.1
199.14880	18.2
201.12732	5.9
201.16406	13.5
203.14293	5.3
203.17966	8.0
207.11748	6.1
209.13264	10.8
211.11310	3.8
211.14832	20.4
213.12836	3.5
213.16331	10.0
215.14336	9.4
215.17978	5.1
221.13358	4.5
223.14789	6.6
225.16359	13.7
227.14262	5.8
227.17961	13.9
229.19565	15.4
237.16449	4.4
239.18092	7.9
241.15855	4.6
243.21034	4.3
255.21176	5.3
257.18869	6.5
257.22644	15.0
265.19592	4.9
267.21118	9.8
279.17444	4.3
283.20517	5.3
285.22202	18.0
295.20563	7.5
297.22101	5.5
301.21570	6.5
303.22958	4.8
307.19641	3.6
307.22763	52.8
309.22202	4.9
313.21664	4.5
327.23239	8.2
365.24774	4.7
375.23196	4.6
381.24585	4.4
386.84097	3.8
393.24234	15.2
411.25552	21.3
419.27969	13.7
429.26431	41.6
447.27347	46.8
447.99750	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	447.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03718	0.8
54.41531	0.8
55.05505	7.1
56.05033	4.6
58.06591	0.9
60.04530	7.4
67.05508	1.7
68.05000	1.4
69.03416	3.7
69.07062	2.2
70.02949	1.4
70.06596	16.8
70.73836	2.5
72.08160	71.7
73.04756	1.4
73.08485	0.9
74.06087	5.2
77.93026	0.8
82.06577	2.1
83.04993	1.3
83.06104	1.5
84.04505	8.1
84.08153	14.3
85.02905	5.6
85.08509	0.9
86.06071	1.4
86.09712	100.0
87.05593	4.3
87.10032	2.0
88.03372	0.8
88.03984	3.0
91.05843	1.5
95.04984	1.6
95.06077	1.1
96.08124	1.3
97.02911	2.2
98.06050	1.9
99.04449	1.5
101.07123	1.2
102.05559	5.5
107.04943	1.1
110.07204	1.2
112.07625	1.5
112.08679	1.0
112.11235	3.6
114.09158	1.6
116.07068	1.6
119.04929	3.8
120.06614	2.1
120.08115	2.1
123.04444	1.2
124.07547	2.2
124.42271	0.9
126.05583	1.4
126.06621	3.2
127.03927	5.9
127.08718	4.4
128.07091	2.6
128.10686	1.8
129.10214	8.3
129.13889	1.0
130.04982	3.3
132.10248	2.1
135.04459	0.9
136.07607	1.0
140.07086	1.0
142.08615	6.0
145.04979	7.4
145.06039	1.5
147.04420	19.1
148.04919	1.2
148.06073	6.5
149.02350	2.1
154.08629	4.1
155.11772	0.9
159.11317	6.7
162.05498	0.9
163.03888	3.6
163.62500	0.8
167.05536	1.3
169.09691	3.6
173.12878	11.9
176.09106	1.1
187.07222	1.3
187.10791	28.5
187.14417	1.4
189.08620	1.2
199.18088	2.6
201.12337	12.5
215.10275	19.9
215.13742	5.4
219.13477	1.6
221.07747	2.8
227.17479	1.1
229.11850	1.2
233.14944	11.3
242.10255	9.7
243.13400	3.3
247.12943	9.7
248.04175	1.0
255.17010	1.1
259.11978	1.1
261.14465	8.7
282.18094	1.4
286.12781	10.8
287.05502	6.4
300.19083	3.5
303.04898	1.0
316.14917	1.7
318.66080	0.9
328.18655	2.3
351.14270	1.1
361.02502	1.5
373.69434	1.0
429.23819	1.8
447.18256	1.2
447.24005	4.0
448.18402	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	447.2454
Annotation	Asp-Leu-Leu-Ser
Peak:m/z	Relative Intensity
50.74063	0.4
55.05500	0.9
56.05031	0.5
57.53256	0.3
58.02207	0.4
60.04221	0.6
60.04527	9.6
67.05520	0.4
69.07076	3.6
69.86288	1.0
69.86705	0.8
70.02954	1.0
70.06593	4.0
72.08166	6.1
73.04752	0.4
74.06087	0.5
81.03395	0.6
81.85063	0.3
84.04515	1.4
84.08147	3.6
86.09708	100.0
86.31828	0.3
87.05595	6.0
87.10045	1.4
88.03986	0.5
89.06069	0.7
91.70073	0.4
93.07021	0.6
96.78682	0.4
98.06057	0.4
98.20821	0.4
100.11215	0.4
102.05558	0.5
102.54195	0.4
105.06642	1.3
107.04987	0.4
110.07182	0.7
110.09689	1.0
111.04553	0.4
114.09187	0.4
114.14999	0.3
120.08124	1.4
120.33252	0.3
122.65652	0.4
126.19302	0.4
128.10722	6.4
129.10245	0.9
134.04506	1.0
135.96236	0.4
136.07584	0.6
148.06091	0.4
156.10072	0.4
159.11301	1.0
173.12866	42.7
181.46866	0.3
187.10779	0.6
193.12256	0.5
199.18054	0.4
201.06572	0.4
201.12340	21.1
215.14021	0.7
227.17473	0.5
229.11931	0.8
233.15050	0.8
247.12900	27.2
248.13077	0.5
255.07561	0.4
267.16086	0.5
269.18692	1.1
314.20828	2.6
457.98032	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	5.2
56.05037	1.0
56.75887	0.8
59.04999	6.0
60.04537	5.2
62.85495	0.9
65.02709	0.9
65.03960	0.9
65.67197	1.0
69.03432	1.6
69.07082	1.3
69.76212	5.4
70.06600	11.8
71.06961	1.1
72.07755	2.1
72.08161	42.2
73.02909	1.0
73.06532	1.5
73.08492	7.6
77.06028	1.1
84.04509	3.2
84.08154	11.3
86.09711	35.1
87.04471	28.8
87.05594	1.2
87.10043	4.2
89.06040	68.8
96.80441	1.0
97.02895	1.0
102.05540	2.2
103.03950	100.0
103.07575	3.9
107.07115	1.0
110.07152	1.3
113.05987	1.1
115.05036	2.3
115.08681	0.9
115.28783	1.0
117.07790	1.0
119.07028	2.1
120.08104	2.9
121.08603	2.8
129.10265	5.5
130.06528	1.4
131.07054	10.2
132.10182	2.3
133.08615	39.1
141.10277	1.0
143.11813	1.8
146.06071	1.1
147.04411	3.4
147.06541	11.4
147.07599	1.7
157.06190	1.1
159.09193	1.5
163.09671	2.5
171.14938	8.7
172.15292	5.2
173.12872	2.7
175.09706	6.0
177.05457	1.1
177.11258	12.8
185.05539	1.2
191.09135	3.8
195.06532	1.0
199.14392	1.4
200.14751	2.9
201.12291	2.6
202.08304	3.7
202.12654	1.1
204.14302	1.0
207.12292	4.1
216.14339	0.9
219.12309	1.8
221.13776	2.6
235.11795	5.0
244.13834	1.6
245.18559	1.1
247.12836	3.6
248.13231	3.3
251.14900	1.4
272.17404	1.2
279.14581	1.1
284.13000	1.6
315.17258	1.9
323.16898	1.3
343.14917	1.1
383.22836	1.3
409.52271	0.9
429.23297	8.1
446.19528	1.8
446.26978	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	446.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.2
55.05516	2.0
56.05029	0.4
56.05852	0.5
57.03441	0.6
57.05812	0.4
60.04531	0.4
61.02927	0.8
65.03950	0.7
69.03425	3.7
69.28932	0.7
69.29336	2.9
70.06600	3.0
71.05045	0.5
72.08158	21.4
73.02937	0.7
73.07866	0.5
73.08498	3.7
79.50502	0.4
81.03424	1.0
84.04519	0.9
84.08145	1.8
85.02915	6.1
86.09715	4.6
87.04471	0.8
87.10066	0.7
91.05479	9.3
93.07056	5.5
95.04960	0.7
97.02893	1.9
102.05513	0.4
103.05468	3.3
109.02911	1.0
114.48388	0.4
119.04951	17.5
120.08130	0.6
121.06510	31.5
122.06882	0.6
127.03916	1.4
129.10217	0.9
136.07622	0.5
138.09071	0.4
142.08582	0.5
145.04935	0.5
146.69955	0.4
147.04416	100.0
148.04762	1.4
164.07106	1.5
169.09756	1.1
187.10837	2.1
188.11165	0.8
215.10255	2.4
216.10632	1.4
225.99921	0.4
231.17050	1.4
232.17436	1.9
249.14754	0.6
254.08156	0.8
267.15918	1.0
284.12820	57.0
285.13174	1.5
315.17273	0.9
446.18176	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.7
56.05038	1.3
59.05000	5.9
60.04525	4.1
63.15806	1.0
69.07044	1.6
69.78787	3.8
70.06602	10.8
72.08160	49.9
73.04758	1.5
73.06530	1.0
73.08488	6.7
78.87950	0.8
79.05497	1.6
81.03374	1.1
81.84853	0.9
83.06101	1.1
84.04506	4.2
84.08152	9.5
85.02934	1.2
85.43612	0.8
86.09714	39.2
87.04476	33.0
87.05585	1.6
87.10014	4.7
88.04028	1.5
88.04790	0.9
89.06038	70.3
98.02386	1.0
102.05563	1.9
103.03951	100.0
103.07572	2.3
106.05097	0.8
107.07084	1.6
109.06604	1.2
110.07227	1.0
112.08739	0.9
115.05050	2.0
116.07125	1.0
119.04923	1.2
119.07070	1.8
120.08125	2.5
121.06505	0.9
121.08617	2.3
129.10233	4.9
130.04997	1.5
130.06544	1.3
131.07036	7.3
132.08197	1.1
132.10190	1.8
133.08609	45.9
141.10207	1.5
143.11821	2.1
144.08144	1.0
147.04417	2.9
147.06534	12.0
147.07605	1.8
157.06067	1.1
157.13345	1.1
159.09256	1.9
163.09673	2.8
170.05885	1.1
171.14934	8.2
172.15315	6.3
173.12863	3.4
175.09698	6.2
177.11256	14.4
184.07272	1.3
191.09106	5.8
199.14410	3.8
200.14665	2.9
201.12328	3.7
202.08304	4.6
207.12263	4.7
215.13997	1.2
219.12178	1.8
221.13853	2.7
230.07816	1.3
235.11775	5.4
243.13326	1.2
247.12917	4.1
248.13214	2.7
254.79147	1.1
261.14648	1.0
262.14810	1.5
269.15820	1.2
272.17737	1.6
279.14392	2.0
315.17081	1.8
327.20441	1.1
333.18246	1.0
383.22772	1.8
411.22009	1.1
429.23318	9.7
446.19061	3.1
446.26468	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.2
55.01879	9.2
55.05513	45.4
57.07080	47.5
57.68803	1.6
64.75003	1.6
67.05505	21.6
67.96260	1.7
69.07072	81.8
70.95553	3.9
71.08634	30.6
79.05499	18.8
81.07063	67.3
83.01324	1.7
83.04974	5.3
83.08624	53.1
85.06567	2.0
85.10192	12.4
91.05479	6.3
93.07043	34.4
95.04978	3.4
95.07995	2.5
95.08608	49.0
97.06535	7.3
97.10179	34.5
105.07042	4.8
107.08598	27.6
109.06493	4.2
109.10150	23.3
111.08092	16.5
111.11726	19.5
119.08556	3.8
121.06513	8.1
121.10163	18.9
123.08070	7.1
123.11704	13.3
124.05216	4.8
124.42215	1.8
125.09656	2.6
125.13271	6.8
131.08540	1.8
133.10144	4.4
135.08037	2.0
135.11703	14.7
137.05977	11.6
137.09592	3.5
137.13258	7.6
139.07549	100.0
139.14792	2.5
142.67836	1.8
145.10112	2.8
147.11780	2.6
149.09628	4.2
149.13272	13.2
151.07578	9.0
151.14847	2.2
157.10101	2.6
159.11742	2.2
163.11134	2.1
163.14824	15.6
165.05466	18.4
165.09140	18.8
167.07048	2.8
168.42833	1.5
171.11667	2.6
174.10411	2.5
175.11241	6.0
177.09167	6.5
177.16322	4.0
179.18062	1.9
181.08600	3.0
181.15895	1.9
189.12817	3.9
191.17984	1.8
193.08604	20.2
202.09877	2.6
203.10556	8.1
205.19556	2.1
217.12230	5.6
219.13820	3.7
221.11729	5.1
231.13806	4.1
233.22560	2.0
245.15518	2.0
289.28793	16.0
302.37405	2.5
307.29956	22.9
319.22964	2.7
374.60666	1.7
389.30841	2.1
399.36325	1.9
417.37256	5.5
427.35678	7.4
445.36813	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.9
55.01864	3.4
55.05516	30.7
57.07080	57.3
57.07347	3.7
59.05017	2.7
62.67397	2.5
63.20548	2.7
65.96192	2.9
67.05518	10.9
69.07076	49.4
69.07418	3.8
69.19526	24.1
71.08632	40.4
79.05517	9.9
81.07066	34.7
83.01357	14.4
83.05004	5.7
83.08626	35.3
83.09076	3.9
85.10195	19.9
91.05479	19.8
93.07043	13.1
95.04971	2.7
95.08607	26.1
97.02943	5.0
97.06554	2.5
97.10172	21.4
99.04482	5.3
99.11720	2.7
105.07034	12.9
107.08632	11.3
109.06520	60.6
109.10192	10.7
111.04475	2.3
111.08120	4.1
111.11758	10.9
119.08578	13.1
121.06553	3.0
121.10192	8.7
123.08103	10.7
123.11738	7.3
125.06012	4.5
131.08607	10.5
133.10173	10.5
133.43367	2.5
135.08072	24.2
135.11647	3.0
137.05994	100.0
137.09668	7.2
139.07579	19.7
142.07829	2.9
143.08617	4.1
145.10153	7.1
147.08026	6.1
147.11736	10.7
149.09637	14.8
151.07556	39.5
151.08672	3.6
151.11218	4.6
153.09183	3.6
157.10208	5.4
159.11719	3.8
161.09601	17.2
161.13315	4.6
163.07568	13.5
163.11276	9.6
163.14751	3.4
165.09119	36.5
165.12784	3.1
167.07100	6.2
169.08687	3.0
171.11777	10.7
173.09709	9.3
175.07616	3.5
175.11157	22.0
176.17003	2.6
177.09114	20.2
177.12820	3.3
179.07068	2.8
179.10693	14.5
181.08725	4.0
185.13304	6.1
187.15039	2.6
188.12024	3.4
189.12770	15.8
191.10765	7.8
193.12273	15.8
202.09886	5.1
203.10733	8.2
203.14351	6.6
205.12364	4.1
207.13791	15.9
215.14297	3.6
217.12360	3.0
217.15930	5.1
219.13884	3.4
221.15436	10.4
231.13805	5.4
231.17494	3.3
235.17018	9.7
245.19289	3.7
249.18546	8.2
259.20688	2.9
263.20193	9.7
273.22177	5.5
277.21710	11.6
287.23618	3.3
291.19653	3.8
291.23227	10.9
305.24835	4.2
315.26865	3.4
319.26270	4.8
362.08145	3.5
385.34634	31.2
399.36191	27.0
403.35727	21.2
409.34970	3.3
417.37292	50.4
427.35886	14.6
445.37079	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	445.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
55.05515	9.0
56.05028	0.7
57.05822	1.2
69.07055	0.3
69.11029	0.2
69.90571	0.3
70.04282	0.9
70.06594	1.1
72.08160	100.0
73.08495	0.6
76.61018	0.3
78.22137	0.2
81.07070	0.3
82.06591	0.4
84.04500	0.4
84.08166	0.9
86.09711	7.5
88.03983	1.2
91.23392	0.2
95.06111	0.3
96.08135	0.5
98.02405	0.4
98.09724	0.5
99.09253	0.3
102.05557	0.7
104.82311	0.2
111.79623	0.2
116.03519	0.4
120.08112	0.5
124.07608	1.0
127.08704	1.8
127.91360	0.2
129.10271	0.5
132.10207	1.8
141.10246	0.6
142.08662	2.9
143.11830	1.0
168.35966	0.2
169.09737	4.3
170.08122	0.3
173.09290	0.5
185.16562	0.4
186.12589	0.2
187.10786	13.0
188.11203	0.3
197.13069	0.3
201.08871	0.8
201.12433	0.3
215.10294	16.7
231.17055	12.2
268.16705	0.9
286.17575	1.6
314.17191	4.3
328.18732	0.5
339.00598	0.2
346.19791	0.6
381.25323	0.6
392.31741	0.2
445.26822	0.4
453.82019	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03745	1.1
53.03955	13.2
55.05503	4.6
56.05034	2.8
59.04995	1.5
67.05493	1.4
68.05035	1.7
69.03465	1.1
69.07071	3.7
69.55697	5.4
70.06599	36.1
71.05004	14.9
71.06936	1.7
72.04487	1.3
72.08166	31.3
73.08485	1.4
74.06084	1.7
76.02214	1.7
79.05495	2.1
81.03425	36.8
84.04516	7.3
84.08154	13.5
85.02921	2.2
85.08497	1.5
85.11047	1.0
86.09716	34.4
87.10030	1.4
88.03995	2.9
89.07155	2.4
89.10796	2.1
91.05450	1.2
93.07066	2.6
95.06115	2.6
95.08573	1.2
97.02908	1.6
97.06544	1.1
98.06062	2.2
99.04464	2.3
100.04018	2.5
100.07570	1.3
102.05549	2.5
110.07146	1.3
112.07629	1.1
112.08765	1.9
115.08713	1.8
116.07101	4.7
119.04932	1.4
120.08097	4.2
121.08442	1.3
124.11218	2.3
126.05480	1.2
129.10236	8.1
130.06580	1.9
132.10252	1.7
136.07603	6.1
143.08482	1.2
147.04459	2.2
156.08089	2.4
157.13344	1.5
158.09639	1.7
159.05550	2.4
171.15001	1.8
177.06627	4.2
179.04990	1.7
184.07602	4.4
187.10794	1.3
191.08617	2.4
193.30275	1.2
197.12889	1.8
199.05048	7.9
200.10406	1.8
201.10289	1.7
201.12595	2.4
202.08693	3.1
203.14055	2.8
211.08652	1.9
212.07083	4.0
213.06589	7.3
215.13980	3.1
219.08095	1.7
224.09503	2.2
225.10197	5.7
229.09799	2.8
229.11873	1.7
229.15527	3.1
230.08110	1.2
230.12140	1.7
230.15826	4.1
236.05780	1.2
237.10315	3.1
239.11890	1.6
240.07692	5.8
241.06126	12.8
243.13472	3.4
247.13077	1.6
251.08218	7.8
251.10667	2.9
253.09839	1.5
258.08777	59.7
265.09793	5.4
267.11356	2.2
269.09277	9.1
270.08707	5.2
282.12357	7.5
282.14972	2.2
283.10889	1.7
284.13998	2.9
293.09317	5.4
296.10330	2.5
297.08752	13.7
309.48315	1.1
310.11868	33.4
311.10220	19.4
328.12970	31.1
338.11581	7.0
339.09738	10.5
356.08051	2.3
356.12454	46.9
374.77875	1.1
381.19122	2.4
398.22061	5.4
400.23569	4.0
421.15799	1.1
426.21411	1.3
427.19846	2.7
444.22482	100.0
445.17419	1.6
445.22803	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	444.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.2
54.39569	0.1
55.01867	0.2
55.05508	0.5
55.17583	0.2
56.05041	0.2
60.04498	0.2
65.03948	0.7
68.05034	0.2
69.03437	0.9
69.07059	0.2
70.06590	2.4
70.61729	0.3
70.62072	0.3
71.06922	0.2
72.08156	3.4
73.02923	0.2
74.06097	0.2
80.13684	0.1
81.03432	0.3
81.04572	0.3
83.52557	0.1
84.04488	0.4
84.08150	3.4
85.02911	1.7
85.08469	0.3
86.09712	2.7
88.20261	0.1
88.56255	0.1
91.05485	6.8
97.02886	0.4
103.05468	0.3
107.04932	0.7
109.02846	0.2
110.07158	0.3
112.07670	0.2
112.08701	0.3
113.07085	0.2
114.05622	0.1
115.08691	0.2
116.07089	0.2
117.07009	0.6
119.04946	21.1
120.05281	0.3
120.08109	2.0
121.02860	0.9
121.08455	0.2
127.03939	0.5
129.10255	1.5
130.10631	0.2
131.04922	0.2
133.06235	0.2
136.07597	3.1
143.11830	0.2
145.06496	2.4
147.04414	100.0
148.04726	1.4
155.06042	0.3
162.05513	0.8
162.09166	0.3
165.13231	0.2
171.14891	0.2
176.07040	0.3
188.07112	0.8
189.05548	0.2
191.08403	0.2
218.81001	0.1
219.08093	0.3
228.13428	0.3
235.14406	0.5
247.12811	0.2
251.10437	0.2
260.16040	0.2
270.08627	0.5
282.11261	12.7
283.11603	0.3
283.14435	0.5
291.08630	0.2
309.09564	0.4
444.16797	0.8
444.21771	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.3
56.05034	1.0
57.05814	0.5
58.06606	0.7
60.04538	0.8
60.05654	5.4
60.79330	0.4
67.05503	1.0
69.03418	0.7
69.07077	9.4
70.06599	26.0
72.08157	10.5
73.08514	0.5
74.06100	0.4
79.05498	0.8
79.75319	0.4
80.75182	0.4
81.03404	0.5
81.07051	0.7
82.31179	0.4
84.04514	1.2
84.08149	4.4
85.02912	1.6
85.34925	0.4
86.09712	100.0
87.10036	0.7
88.03959	0.4
91.05491	0.8
93.07040	0.5
98.06080	0.8
107.08643	0.7
110.07166	0.5
112.08733	2.4
115.08692	4.0
116.07095	12.5
120.08107	4.1
120.24084	0.4
121.08471	1.0
121.10142	0.6
128.10730	15.7
129.10220	2.3
130.08881	0.6
130.09743	2.7
133.09781	0.7
136.07594	1.1
137.05975	0.5
137.09660	0.8
142.08682	0.5
143.11823	0.7
147.04504	0.5
156.10196	1.1
156.11333	7.3
157.10916	0.7
158.09264	5.7
169.09824	1.2
175.11917	17.8
187.10814	1.2
201.12418	0.7
215.10358	2.2
226.15456	0.6
229.15565	2.2
263.16556	0.8
269.09314	0.6
269.18732	1.2
271.17664	7.7
273.56094	0.4
281.17599	0.6
288.20444	0.7
302.16977	2.9
328.18417	0.5
443.29813	71.6
444.29947	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	443.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	6.0
57.03451	3.0
61.02935	3.0
67.05507	20.8
69.07066	8.1
69.59506	12.6
72.08137	2.1
79.05493	8.5
80.69968	2.2
81.03403	2.9
81.07066	24.7
83.08648	3.5
84.08136	2.6
85.02912	5.3
85.06572	2.4
86.09686	2.4
91.05503	11.4
93.07050	14.8
95.04984	2.1
95.08604	22.8
97.02937	2.5
97.06532	2.2
105.07040	20.1
107.08581	18.2
109.10165	43.5
111.08107	6.3
115.05455	3.1
117.07021	4.6
119.08605	15.3
121.10158	14.1
123.08099	5.6
123.11702	10.1
125.06021	3.0
125.09641	7.9
127.43468	2.4
128.06224	4.7
129.06998	22.9
131.08534	13.0
133.10175	12.2
135.11708	9.2
137.09616	10.0
137.13263	2.5
139.07547	4.6
141.06976	9.8
142.07777	24.0
142.28448	2.2
143.08598	11.6
145.10107	13.7
147.11694	7.1
149.09647	4.3
149.13272	4.2
151.11215	5.0
153.06975	2.0
153.09131	4.8
154.07794	3.0
155.08580	25.6
155.10614	19.2
157.10136	100.0
159.11678	16.2
161.13257	7.9
165.09149	2.3
167.08658	4.4
168.09361	4.1
169.10141	16.2
171.11719	13.8
173.13203	4.6
175.11243	5.2
175.14862	2.9
181.10088	3.7
182.10893	3.8
183.11713	23.8
184.07262	3.1
185.13318	11.9
187.14830	3.7
193.10040	2.5
194.10918	2.7
195.11725	7.9
196.12509	4.4
197.13277	24.7
199.14835	5.7
207.11639	12.0
209.13278	9.2
211.14848	32.9
213.16333	4.7
221.13313	3.5
223.14902	6.1
225.16447	5.3
229.15904	5.0
235.14803	3.1
237.16432	4.2
239.18037	4.2
247.14700	2.8
249.16443	6.6
251.18019	9.8
252.18794	3.5
253.19563	21.9
265.19550	5.9
269.18951	3.8
271.20584	9.7
277.19403	4.2
279.21194	5.2
306.60852	2.2
371.27206	5.5
389.28323	15.1
407.29474	38.1
425.30542	16.4
426.01749	2.4
443.30939	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	442.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.2
55.68374	0.8
57.03440	3.6
59.05003	100.0
60.65641	0.8
67.05518	1.5
69.03423	1.0
69.07052	0.7
69.19712	2.4
69.20126	4.7
69.96365	0.8
70.06583	2.3
72.08160	1.5
72.76853	0.9
78.22057	0.8
79.01727	0.8
79.05475	0.8
81.07042	1.3
84.08118	1.7
86.09704	2.0
87.04446	1.3
90.13911	0.8
93.07027	0.9
99.08090	1.7
101.09660	1.1
105.07059	1.2
115.07557	1.6
117.09136	31.4
118.08596	1.2
119.08601	1.2
145.10220	0.8
149.09694	0.9
165.09167	0.9
175.13333	11.0
233.17422	4.6
251.18492	1.4
260.21265	0.8
341.56366	0.8
422.11850	0.8
425.31055	2.5
426.26932	0.8
434.65582	0.9
442.28937	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.9
55.01862	2.2
55.05514	12.3
56.05021	6.4
57.03436	4.9
57.07076	2.3
60.04505	2.5
62.06097	34.7
67.05509	24.5
69.03433	2.7
69.07076	13.0
70.02943	4.9
70.06599	35.6
70.71743	5.7
71.04980	4.1
72.08161	58.6
73.08468	2.4
79.05494	19.5
80.57763	2.3
81.03415	5.0
81.06633	2.2
81.07063	14.8
83.04964	9.9
83.08592	3.0
84.04544	11.0
84.07639	5.3
84.08148	100.0
85.02920	4.7
85.08462	5.4
86.09710	88.9
87.10066	2.8
88.03996	11.6
91.05489	22.0
93.07062	17.5
93.26345	2.3
95.04974	5.4
95.08584	9.7
97.05922	2.4
97.06522	8.4
98.06023	3.8
98.98438	10.7
99.04454	3.5
102.05506	4.2
105.07030	5.5
107.04977	15.2
107.08578	7.7
109.10155	4.3
111.04449	19.4
111.08072	4.8
111.09216	2.3
112.07616	2.9
112.08745	3.5
112.27992	2.4
115.08678	3.1
116.07082	6.0
117.07021	5.9
119.04918	8.9
119.08582	6.7
120.08103	16.9
121.10166	16.4
123.04452	2.2
124.71832	2.3
127.08765	2.4
129.10254	64.2
130.10583	3.6
131.08546	5.9
135.11688	17.7
136.07588	40.5
137.05919	2.5
137.07922	3.5
139.08701	3.4
145.06496	3.4
145.10136	17.2
149.09595	4.6
151.08704	2.3
153.12726	8.6
155.01054	14.4
155.08424	3.6
157.09709	3.2
163.11188	33.5
173.09608	11.7
181.12227	17.3
184.07430	2.5
185.05579	3.7
191.10680	16.0
209.09535	3.2
209.11615	4.6
209.84715	2.1
215.13908	6.6
216.58698	2.6
226.11775	2.4
227.12741	19.8
231.06190	4.6
240.13617	3.3
249.16043	3.1
251.10213	3.6
252.15959	9.2
265.14349	46.3
283.15405	60.7
301.16473	81.1
326.19604	3.7
345.11142	6.2
354.10364	2.5
363.12006	26.6
381.12924	3.0
388.15179	3.9
406.16211	6.0
424.17276	8.6
442.18573	11.4
442.28250	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.6
55.01868	1.3
55.05524	7.7
55.87298	1.4
56.05043	1.5
56.09364	1.1
57.03434	5.6
58.99579	1.3
61.02934	9.2
61.84009	1.2
65.46349	1.3
69.03440	18.9
69.84608	6.0
70.06600	23.3
70.10978	1.3
71.04984	3.9
72.08169	19.6
73.02918	4.7
79.05515	1.5
81.03442	7.5
81.07082	2.4
83.08616	7.6
84.04504	2.4
84.08154	12.7
85.02914	100.0
86.09714	31.3
86.99030	2.1
87.05614	1.8
91.03973	7.7
91.05491	2.6
93.07059	3.2
95.06104	2.0
96.08153	2.7
97.02901	31.1
97.06534	2.0
98.02458	1.3
98.06073	1.6
99.04467	3.7
102.06977	1.3
103.03976	1.7
109.02899	12.6
110.07168	1.9
111.08106	1.5
113.09587	1.3
116.01678	5.4
116.07098	7.7
116.62502	1.2
120.08135	3.0
127.03933	25.6
127.08701	1.9
129.09161	1.5
129.10258	4.0
129.74370	1.3
136.07571	1.7
137.09587	1.3
139.07555	3.5
141.09155	1.9
141.10229	5.0
144.01180	2.0
144.86017	1.1
145.04974	48.1
155.11778	2.8
162.02191	8.0
163.02586	2.5
163.06035	22.7
169.09828	1.6
183.11308	3.5
186.12329	2.4
200.13942	6.9
209.11760	2.6
214.11896	8.3
215.13957	7.1
227.12729	1.8
228.11440	2.2
228.13449	15.4
229.15544	2.8
245.13789	2.1
262.11197	2.8
263.11456	4.0
263.14832	2.5
281.17450	1.6
301.16440	2.5
322.15204	1.6
327.20212	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	441.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71662	2.2
53.03940	4.2
55.01857	2.8
55.05508	16.6
57.03440	3.0
57.07072	9.0
62.52316	2.5
66.12784	2.3
66.51943	3.6
67.05518	19.0
67.35883	2.2
69.03432	2.8
69.07072	23.3
70.06602	3.2
70.29014	10.3
71.05008	4.6
71.08637	12.7
72.08144	2.5
79.05485	9.8
81.07075	23.3
83.04984	2.9
83.08615	10.7
85.06508	3.5
86.09702	9.5
91.05489	9.8
93.07074	16.7
95.04993	2.8
95.08625	23.8
97.06507	4.5
97.10165	3.1
98.98505	2.9
99.08076	7.7
105.07023	12.5
106.06590	3.3
107.08590	21.8
109.06529	10.9
109.10148	7.1
111.08114	3.9
119.08610	14.8
121.06510	4.3
121.10172	13.7
123.08104	34.8
123.11733	5.2
124.07582	5.3
124.46272	2.7
125.00006	7.6
131.08595	2.6
133.10138	10.0
135.08047	7.9
135.11685	7.8
136.06172	3.3
145.10097	7.0
147.11687	4.8
147.76013	2.5
149.09607	6.8
149.13275	5.4
149.67569	2.7
153.12735	9.0
159.11746	6.1
161.13278	2.7
162.07729	3.0
163.11171	3.3
173.13286	3.4
175.14850	3.0
179.14311	48.2
184.07367	16.2
185.07669	3.2
186.77029	2.3
193.15790	4.1
203.43175	2.9
251.20082	10.4
275.19986	3.5
293.21136	9.1
303.26801	11.6
321.27847	5.0
331.26349	44.7
349.27408	59.0
405.29953	5.4
423.31091	100.0
424.31314	4.1
441.37314	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	441.3
Annotation	CHEBI:69411
Peak:m/z	Relative Intensity
55.05501	11.6
67.05512	21.2
68.05029	4.1
69.07063	10.4
69.99907	3.0
70.06599	17.9
70.20103	15.9
71.04989	3.5
73.80823	3.6
79.05506	19.8
81.07064	29.1
84.08112	4.2
91.05483	14.6
93.07036	20.8
95.04971	4.3
95.08611	37.7
97.06560	20.4
100.07611	4.4
105.07030	37.2
107.08597	41.7
108.08145	6.4
109.06532	7.6
109.10180	44.0
111.04422	4.7
111.08067	10.3
112.83066	3.9
115.05450	4.5
117.07043	5.8
119.08599	28.5
121.10149	20.6
122.68187	3.8
123.08081	8.1
123.11719	11.3
125.05995	19.4
125.09636	5.2
128.06230	6.2
129.07008	12.8
131.08598	29.8
133.10155	19.8
135.08026	7.2
135.11708	12.9
137.09630	14.4
142.07776	17.7
143.08536	30.3
144.09277	6.1
145.10115	41.0
146.10483	3.5
147.11697	13.3
153.09122	12.7
154.08649	13.6
155.08546	47.4
155.10643	9.1
157.10147	80.3
159.08128	4.1
159.11707	33.1
161.09593	5.5
161.13229	7.2
165.09148	6.7
167.08601	7.2
169.10112	28.5
171.11751	28.4
173.09520	4.5
173.13258	8.5
175.11215	14.4
179.08643	5.9
181.10136	15.9
183.11697	27.3
185.13295	13.5
187.11221	5.5
187.14836	6.4
189.12823	5.5
194.10902	7.7
195.11748	29.6
197.13245	31.5
198.13683	5.1
199.14839	13.1
203.14296	5.0
207.11713	8.3
209.13240	27.3
211.14825	8.8
213.12657	4.3
213.16441	6.0
215.14240	6.8
221.13263	9.5
221.15329	6.9
222.15735	6.8
223.14804	19.6
225.16411	8.3
235.14867	7.1
237.16353	11.4
249.16397	12.1
250.17227	6.5
251.17990	42.0
253.19485	7.8
261.18488	5.6
263.17877	5.6
269.19016	15.2
277.19492	6.5
279.21222	4.0
287.19962	7.0
291.21017	8.2
292.21722	5.3
295.20676	8.8
299.20203	6.3
300.20364	6.4
313.32404	3.7
353.24738	4.8
359.27084	6.2
387.26794	15.2
397.29047	7.2
405.27875	100.0
423.29059	47.6
441.29263	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.28
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	12.6
56.05035	3.1
60.08178	2.5
67.05499	10.7
68.05029	14.7
69.03433	6.4
69.07069	6.2
70.06598	45.7
71.23512	3.6
71.23846	3.1
72.08157	8.8
77.39810	2.3
79.05499	13.3
80.04993	4.3
80.67102	2.8
81.07069	13.4
82.06578	5.1
83.04971	6.7
83.08625	6.1
84.04533	2.7
84.08146	9.6
85.02871	2.6
86.09706	24.7
91.05462	15.0
93.07070	12.7
95.04969	5.2
95.08621	6.9
96.08157	12.1
97.02928	2.7
97.06544	6.1
97.90879	2.5
98.06087	4.2
100.07616	20.0
100.11254	6.6
105.07032	31.2
107.08601	16.7
108.08137	9.2
109.06514	5.8
109.10175	3.7
114.05530	10.6
115.05424	2.7
116.07113	7.5
117.07019	7.4
119.08596	21.1
120.08131	8.9
121.06519	7.9
121.10136	13.1
122.09707	4.1
125.00005	11.9
125.09570	2.8
128.06293	4.6
128.07104	21.5
129.07001	11.6
129.10188	3.5
131.08582	12.8
133.10156	9.2
135.08081	3.4
141.06999	4.4
142.07773	8.2
142.08658	7.9
143.08571	26.1
144.08206	2.7
144.09386	8.3
145.10147	19.7
146.09671	5.8
147.11694	4.2
148.11232	6.3
149.09641	14.0
150.12842	2.5
154.08649	40.6
155.08531	10.2
156.09308	2.8
157.10112	17.2
159.08078	10.2
159.11731	7.2
160.11261	9.4
162.12732	4.0
164.07047	2.6
165.07027	5.7
167.08580	6.3
168.09258	5.0
169.10077	14.5
171.11707	11.3
173.09579	3.1
173.13335	5.4
174.12811	7.2
175.11194	4.7
179.08551	4.4
180.09497	2.6
181.10187	8.1
182.10942	7.5
182.15428	3.9
183.11749	9.7
184.07358	44.1
191.08546	3.6
192.10204	5.2
193.10162	7.7
194.11758	9.1
195.11763	8.6
196.12459	3.3
197.13246	14.0
199.11252	3.7
205.10201	3.4
206.10901	3.4
207.11671	8.3
208.12515	6.2
209.13336	9.5
211.14896	3.6
213.16531	3.1
214.16075	3.2
218.11826	6.3
219.12405	3.1
221.13173	4.3
223.14853	7.2
225.12811	4.9
233.13277	3.8
233.15393	40.9
235.14973	2.8
237.16338	3.7
248.16473	2.7
263.18011	5.4
266.19034	3.3
281.19177	4.8
289.19461	4.9
307.20731	4.2
309.22177	4.0
330.20645	24.9
348.21695	29.0
352.08191	3.3
358.10724	2.6
360.26816	3.6
378.27945	8.3
404.25925	4.7
422.27042	35.8
440.28033	100.0
441.28293	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	440.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	6.9
56.83045	2.2
57.07077	3.4
59.05011	2.7
60.29790	1.9
67.05515	12.9
68.05040	17.5
69.03445	3.2
69.07077	5.4
69.87375	10.6
70.06600	47.9
71.05005	2.1
79.05499	16.9
80.05025	6.4
81.07076	15.5
82.06570	4.5
83.04973	6.2
83.08627	2.9
84.04487	2.1
84.08138	9.1
85.06542	4.5
87.04480	3.4
89.06003	2.4
91.05478	16.3
91.98124	2.0
93.07057	16.8
95.04984	7.7
95.08628	11.7
96.08147	12.1
97.06521	3.4
98.06052	3.2
100.07623	20.6
105.07047	38.6
107.08606	19.0
108.08131	13.8
109.06528	5.9
109.10190	8.8
110.09668	3.4
111.08138	2.1
114.05577	10.4
116.07132	4.5
117.07024	8.1
119.08601	25.6
120.08122	8.1
121.06548	4.8
121.10123	12.6
122.09672	3.9
123.08082	4.0
125.09653	3.7
128.06223	5.2
128.07103	22.0
129.07028	13.5
129.66394	2.3
130.07771	3.1
131.08585	13.1
133.10141	12.0
134.09718	3.8
135.08064	4.7
135.11665	3.2
137.09520	2.2
141.07007	4.6
142.07697	10.6
142.08687	6.4
143.08595	25.7
144.09435	3.1
145.10120	25.0
146.09633	5.1
147.08069	2.5
147.11705	3.1
148.11267	8.4
149.09645	9.0
154.07686	2.4
154.08655	49.1
155.08600	7.8
155.10645	3.5
156.09383	8.4
156.21971	2.3
157.10132	15.4
158.09647	2.3
158.10939	2.4
159.08090	6.2
159.11732	9.3
160.11224	11.4
161.09724	3.1
162.12851	6.6
163.11205	3.2
164.07114	2.7
165.09113	4.2
167.08585	4.9
167.10651	3.7
168.09384	4.1
169.10130	12.9
171.11731	11.6
172.11205	3.8
173.13269	4.9
174.12837	7.0
181.10146	7.5
182.10971	3.6
183.11745	8.7
185.09706	3.7
186.12746	2.8
188.14339	2.4
192.10284	2.4
193.10158	6.6
194.11891	14.0
195.11736	5.7
197.13333	8.8
199.11090	2.9
206.10808	2.3
207.11685	6.4
208.12642	2.3
209.13338	6.9
211.14838	3.5
212.16521	3.8
215.14388	4.4
218.11732	3.9
219.12651	3.1
221.13290	6.2
221.15450	9.1
223.14832	4.2
225.12952	2.7
225.16464	3.3
232.13516	2.3
233.13281	4.5
233.15356	21.9
235.14882	4.3
248.15945	3.4
249.16388	2.5
253.16081	2.6
260.16428	2.2
263.17868	3.4
281.19131	2.2
284.16525	2.4
291.21143	3.7
299.20145	6.1
309.22147	4.8
324.19537	3.3
330.20657	17.8
348.21771	19.7
355.85742	2.3
378.28104	8.0
396.28967	15.7
422.26953	22.1
440.28043	100.0
441.28519	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	440.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.05509	7.9
56.05017	1.8
57.07075	3.8
65.44485	1.2
67.04234	1.4
67.05507	9.6
68.05033	19.8
69.03418	3.9
69.07058	5.5
69.35465	5.9
69.35894	6.8
70.06206	3.5
70.06594	68.1
71.04981	4.3
79.05494	13.1
80.05018	4.3
81.07068	14.7
82.06583	3.9
83.04979	6.4
83.08615	4.1
84.08145	8.6
85.06533	4.9
86.09724	1.6
87.04473	4.3
91.05481	18.4
93.07045	21.6
94.06553	2.0
94.46008	1.4
95.04964	4.1
95.08598	10.1
96.08141	13.5
97.06530	5.0
98.06049	3.7
100.07619	23.4
102.65398	1.6
103.89639	1.5
105.07042	47.0
106.06551	2.6
107.08595	20.6
108.08116	18.7
109.06539	10.9
109.08939	1.5
109.10139	7.6
110.09653	2.3
113.09645	2.7
114.05558	11.9
115.05482	3.3
116.07109	3.8
117.07017	10.0
119.08590	34.4
120.08134	7.3
120.08831	1.4
121.06549	2.7
121.10137	10.4
122.09662	3.8
123.08076	7.4
125.09637	2.9
126.09181	4.9
128.06204	5.0
128.07085	29.3
129.07040	8.2
130.07777	5.8
131.08566	16.2
132.08099	2.0
133.08821	1.3
133.09186	2.1
133.10133	15.7
134.09639	5.5
135.08034	4.8
135.11745	4.1
136.11230	3.2
137.09627	6.4
140.07098	2.7
141.06976	3.9
142.07761	8.9
142.08694	2.8
143.08553	19.9
144.09354	3.4
145.09062	2.6
145.10135	31.7
146.09665	4.1
147.08054	6.5
147.11685	11.9
148.11215	8.6
149.09595	2.6
151.07513	2.1
152.07159	2.0
154.08646	74.5
155.08557	7.9
155.10692	5.4
156.09358	8.0
157.10130	21.7
158.09680	1.9
159.08015	2.5
159.10512	1.7
159.11684	10.2
160.11191	7.9
161.09627	5.6
162.12759	6.5
163.11182	2.2
164.07076	2.8
165.06966	1.8
165.09125	10.5
167.08594	4.5
168.09250	1.8
169.10175	9.2
170.09592	1.9
170.10956	1.6
171.11688	18.0
172.11211	7.4
173.13258	5.3
174.12778	6.0
175.11177	4.6
177.09142	1.7
178.08672	2.5
179.08534	1.9
181.10135	4.1
181.12299	2.6
182.10876	3.6
183.11713	8.2
185.13255	3.2
186.12791	5.5
187.14888	1.9
188.14357	4.9
188.86610	1.7
189.12881	1.9
192.10213	4.6
193.10144	5.5
194.11855	23.1
195.11711	7.8
197.13304	8.6
199.14948	2.9
203.14349	6.7
206.11882	2.0
207.11765	3.3
208.12492	2.1
209.13286	7.4
211.14828	4.1
215.14288	4.6
216.10168	2.4
218.11790	8.5
219.12650	3.7
220.13315	3.9
221.13261	4.1
221.15347	28.1
223.14856	5.9
225.16426	3.4
232.13327	13.7
235.14874	5.2
240.17641	1.7
249.16336	2.3
260.16605	4.1
270.14957	1.9
281.18924	2.1
286.21545	1.7
291.21097	4.9
299.20078	20.5
304.22711	2.9
309.22278	3.7
321.63037	1.9
327.23230	5.1
340.22934	1.6
348.21616	4.1
360.21747	7.5
378.27902	6.4
396.29016	30.1
422.27191	2.4
440.28006	100.0
448.57831	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	440.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44886	1.6
53.03939	3.1
55.05508	9.5
57.07073	4.9
63.38412	1.7
64.10270	1.9
67.05509	9.8
68.05045	17.0
69.03425	5.1
69.07066	4.6
70.06595	56.8
70.44733	5.3
70.45087	3.3
71.04975	4.0
77.75383	1.7
79.05505	12.7
80.05016	6.6
81.07053	13.3
81.93146	1.8
82.06581	4.4
83.04963	4.0
83.08607	4.4
84.08125	6.7
91.05492	16.2
93.07052	17.7
94.06572	3.3
95.04974	4.8
95.08613	11.5
96.08138	7.9
97.06535	6.2
98.06064	4.5
100.07624	23.3
101.34489	2.1
105.07036	39.0
107.08591	14.2
108.08115	16.5
109.06528	11.2
109.10160	10.1
114.05539	6.4
115.05479	2.0
116.07090	3.0
117.07011	6.5
119.08594	27.3
120.08115	7.7
121.06500	3.2
121.10149	10.7
122.09669	2.7
123.08065	6.6
125.09584	2.1
126.09164	4.3
128.06256	4.0
128.07098	30.0
129.07030	11.2
130.07787	3.5
131.08557	14.9
132.08173	2.1
133.10130	11.8
134.09665	5.6
135.11693	3.5
136.11200	2.1
137.09598	3.9
141.06995	4.5
142.07780	9.7
142.08710	2.1
143.08569	16.5
143.98262	2.1
144.09346	3.4
145.10133	25.6
146.09636	4.3
147.07991	3.5
147.10678	2.1
147.11687	10.1
148.11223	10.3
149.09663	2.6
154.08650	65.3
155.08533	9.1
155.10696	5.3
156.09288	9.1
157.08911	3.1
157.10133	21.8
158.32913	2.2
159.08032	2.5
159.11693	11.4
160.11249	11.4
161.09581	2.6
161.13257	2.5
162.12787	6.2
163.11163	4.5
164.07097	3.9
165.09094	12.3
167.08607	3.8
168.10310	2.5
169.04350	1.7
169.10107	12.2
171.11703	15.6
172.11212	4.9
173.11967	4.4
173.13330	4.6
174.12828	6.6
175.11150	6.2
178.08690	3.8
181.10121	4.5
181.12247	2.5
182.10907	3.7
183.11693	9.2
184.11206	2.2
185.13237	4.3
186.12778	4.1
188.14348	4.1
188.83778	1.9
189.12697	2.5
192.10217	4.5
193.10175	6.3
194.11852	25.0
195.11662	5.3
197.13200	9.9
203.14311	2.9
207.11714	5.3
208.12517	2.4
209.13248	5.4
211.14772	2.5
214.16002	2.6
215.14430	3.9
218.11781	5.8
219.12477	2.1
220.13234	4.0
221.13402	3.4
221.15341	25.9
223.14845	4.2
225.16431	2.0
226.16010	2.3
230.11758	2.2
232.13423	11.5
235.14783	5.3
237.16411	2.0
249.16286	2.7
251.17938	2.3
260.16479	3.3
281.19238	2.5
286.21484	2.0
291.21078	4.3
299.20096	16.5
304.22705	4.3
309.22266	3.6
325.21643	2.1
327.23126	6.1
338.21521	2.1
348.21747	6.3
360.21664	6.5
378.28036	3.1
382.23318	2.3
396.29016	29.7
422.26874	3.3
440.28006	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37431	1.8
55.05501	7.0
57.07065	8.1
59.04995	8.0
62.21529	1.7
65.03965	1.9
67.05504	13.1
68.05030	10.9
69.03435	9.5
69.07058	6.3
69.24809	16.9
69.36146	1.9
70.06599	28.6
79.05499	15.3
80.05016	4.1
81.07064	23.0
83.04995	4.1
83.08624	2.6
84.08151	25.3
85.06536	2.9
87.45663	1.8
91.05482	26.9
93.07041	25.0
94.06562	2.9
95.04959	4.2
95.08621	19.7
96.08137	34.3
97.06544	5.6
100.07603	10.7
105.07035	35.9
106.07333	2.3
107.07381	2.5
107.08611	17.3
108.08139	20.7
108.08850	3.1
109.06522	7.8
109.10159	15.1
110.09714	4.0
110.10502	5.4
111.04446	2.6
111.08073	3.6
114.05564	2.6
114.93805	1.7
117.07007	9.5
119.08586	56.5
120.08109	8.0
120.08862	2.1
121.06512	7.7
121.10142	10.5
122.09686	5.2
122.95709	2.2
123.08076	13.5
123.11721	2.0
124.08415	2.1
125.05997	8.9
125.09646	3.3
126.09138	2.7
128.06239	3.9
128.07086	17.9
129.07027	7.7
130.07776	3.1
131.08583	11.3
133.06436	3.7
133.10158	15.4
134.09644	5.4
135.08076	15.4
135.11693	5.5
136.11232	4.8
137.09605	17.3
139.07567	1.8
140.07129	3.0
141.06950	3.0
142.07790	2.9
143.08586	10.4
144.09126	3.1
145.06461	2.4
145.10126	32.3
146.09531	2.8
146.10561	2.9
147.08052	34.0
147.10596	2.6
147.11714	11.8
148.11220	4.1
149.09612	2.0
151.07559	5.2
153.09145	2.6
154.08643	51.3
155.08563	8.6
155.10667	3.0
156.09187	3.6
157.10153	11.5
159.08000	4.0
159.11684	11.6
160.11259	4.8
161.09612	7.5
161.13301	5.4
162.12776	14.3
163.11209	7.8
165.09128	64.2
167.08574	3.4
169.10153	7.4
170.10812	2.7
171.08038	3.6
171.11719	8.7
172.08595	2.4
173.09677	10.0
173.13293	4.1
174.10020	5.1
174.12772	2.9
175.11174	4.1
175.14760	3.4
176.11435	2.2
178.05269	2.0
178.58281	1.9
180.10249	2.1
181.10016	5.3
181.12242	6.6
183.11769	6.6
185.13319	5.5
186.12726	9.2
187.11237	2.6
188.14307	18.8
189.12813	2.9
193.10170	3.4
195.11705	4.5
197.13367	9.4
198.13704	2.4
199.11211	9.1
203.14345	18.4
206.11839	3.3
207.11623	3.0
208.12357	2.2
209.13297	4.1
211.11165	3.3
211.14862	3.6
213.12711	5.5
214.13144	3.9
214.15884	2.6
215.14273	2.1
216.17485	3.0
219.12578	2.3
221.15381	100.0
222.13583	3.2
223.14819	5.2
225.12791	6.7
226.13072	2.7
227.14462	2.4
232.13351	25.7
240.14778	2.2
243.13814	6.2
243.91525	1.9
247.16873	5.5
250.16565	3.2
260.16452	12.6
263.14114	2.0
264.14700	2.4
266.16226	3.0
267.17255	2.7
268.17737	3.4
269.19205	2.1
271.16980	3.1
276.18484	2.0
281.19022	6.2
282.19580	2.0
284.17310	2.4
294.19302	2.3
299.20078	67.9
309.22253	3.7
312.20224	4.2
316.22546	2.1
325.21631	4.4
327.23239	24.8
360.21722	34.0
386.25546	2.3
394.28128	4.9
396.29034	28.6
404.26553	11.3
422.27567	21.4
440.28271	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.2
55.01865	2.7
55.05518	16.8
56.69972	1.8
57.03440	37.5
57.07067	2.8
59.04996	1.8
61.02932	13.4
62.58877	1.9
67.05502	8.0
69.03434	40.5
69.07072	95.1
70.06588	9.2
71.01351	6.2
71.05000	4.3
71.29932	3.6
72.08148	8.6
73.02923	75.8
79.05499	4.3
81.03408	6.4
81.07046	8.5
83.04963	2.5
84.08129	7.4
85.02908	100.0
86.09699	5.3
86.87328	1.9
87.04458	6.5
90.57288	1.8
90.82685	1.7
91.05485	5.7
93.07035	5.4
94.06575	4.3
95.08587	4.9
97.02895	58.3
97.06550	2.9
99.04442	2.7
99.08044	2.2
103.03946	2.8
104.10743	2.9
104.49715	1.7
105.07041	6.9
107.04961	2.9
107.08649	5.1
109.02864	7.8
109.10175	3.3
111.11728	37.3
115.03942	46.3
117.07081	2.2
119.08573	4.4
121.06531	2.7
121.10140	2.3
123.11729	3.4
127.03924	28.6
132.06541	2.4
133.04979	17.9
133.10146	3.0
142.08652	5.7
145.04945	31.4
145.05981	2.2
145.10156	2.4
147.11679	2.1
150.07664	5.2
154.08646	9.5
163.06023	17.5
168.11110	2.0
184.07283	4.5
223.06007	3.8
225.14828	2.3
241.07106	6.7
259.08167	4.3
295.10165	2.7
301.81540	2.8
425.47186	2.5
440.23190	7.1
440.28488	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	440.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	2.2
56.05040	1.5
58.99601	5.5
60.04533	1.0
61.01163	1.0
66.79591	0.8
67.05518	2.0
70.06599	13.4
70.74627	2.9
71.04984	3.0
72.08157	8.5
74.56950	1.0
76.02235	10.6
84.04511	4.2
84.08150	8.1
85.02919	1.9
86.09714	7.3
86.99054	2.2
91.05459	0.9
95.05003	1.0
98.06038	2.0
100.02212	7.7
102.05530	1.0
105.00097	3.0
110.07142	1.7
112.08720	1.8
112.10157	0.9
112.11221	1.7
112.42802	0.9
116.07143	1.9
120.08080	1.7
122.06028	2.2
123.04494	1.1
129.10272	3.4
134.06071	1.5
136.07590	3.9
138.05563	1.8
142.08707	1.7
143.08632	1.3
146.02711	8.7
147.04466	1.6
148.07605	1.0
150.03708	1.3
150.05461	1.3
158.09714	2.6
161.07066	1.1
164.07072	1.4
170.09676	1.7
172.07623	2.3
175.08678	4.2
176.06984	1.2
185.10870	1.3
186.09181	3.5
187.12378	1.6
188.03777	2.4
189.10208	2.3
196.04306	1.4
196.07446	4.6
198.07654	1.1
198.09293	8.2
199.08519	1.9
200.07039	2.3
210.09103	1.6
212.10931	1.6
213.10255	11.0
213.12212	1.8
214.08658	5.1
214.10728	1.6
215.08195	1.4
215.11850	6.2
215.13638	1.1
217.09691	6.5
223.98180	1.1
224.07161	1.1
226.07208	2.1
226.10805	1.0
227.08162	3.1
227.11855	2.6
231.11324	2.8
235.10791	10.5
239.08208	1.4
240.08839	4.6
241.09735	38.9
242.04630	1.7
242.08139	4.7
242.10303	1.8
243.09138	1.5
243.11362	20.0
254.06264	1.3
254.10532	3.1
255.11250	7.0
258.12439	12.4
259.10800	30.3
260.09283	2.5
271.09061	1.1
271.13065	2.5
273.06839	1.6
273.12277	1.9
277.11920	1.5
282.09860	1.3
283.10788	10.1
284.09247	3.4
284.14139	1.2
285.12347	14.6
286.09537	2.9
294.04349	1.8
299.08566	4.1
301.11868	37.3
302.10190	3.5
303.13544	5.3
316.11288	1.1
317.13721	22.4
318.12701	5.3
319.12891	8.3
335.64267	2.1
344.15524	2.1
352.08304	1.7
360.13809	2.9
362.11707	8.3
363.09964	6.5
378.14703	1.8
404.12726	28.3
405.11240	7.6
422.13858	100.0
423.12219	10.8
440.18564	2.2
441.13626	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	439.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28114	2.6
53.03954	3.3
55.01876	4.5
55.05519	23.1
57.07078	4.3
67.05503	31.9
69.03430	15.5
69.07063	14.7
70.63335	6.9
71.04990	4.6
79.05495	21.8
81.07063	32.5
83.08611	27.9
85.06547	10.6
91.05483	28.6
93.07043	45.4
95.04960	4.5
95.08614	100.0
97.06531	10.9
97.10149	3.3
103.05440	3.6
105.04493	3.4
105.07031	35.6
107.04948	5.0
107.08604	23.9
109.06501	15.0
109.10155	30.0
111.08093	71.6
115.05440	3.3
117.07015	9.7
119.08585	26.2
121.06490	17.7
121.10152	68.3
123.08060	7.0
123.11713	12.6
125.09603	14.9
128.06226	9.3
129.07024	8.2
131.08540	17.9
133.06519	3.9
133.10118	13.8
135.04422	3.1
135.08047	8.2
135.11697	8.0
137.09593	3.7
139.11200	31.0
141.07025	5.1
143.08571	20.7
144.05766	5.4
145.06441	4.9
145.10136	12.3
147.08031	5.4
147.11726	14.6
153.07018	3.4
155.08612	14.6
156.09296	4.5
157.06552	3.8
157.10172	11.5
158.51065	3.1
159.08052	13.1
159.11710	7.8
161.13193	7.0
165.06961	7.6
166.07849	4.1
167.08618	7.6
168.09444	3.5
169.10149	9.4
171.08047	63.7
171.09372	5.1
171.11713	9.1
173.09627	6.2
173.13293	4.5
175.14833	5.6
178.07816	8.4
179.08553	13.3
180.09315	7.1
181.06612	5.8
181.10109	24.3
182.10902	3.8
183.08051	4.0
183.11703	9.7
185.09627	5.6
185.13344	9.4
187.07565	3.6
190.07803	3.7
191.08694	3.6
192.09360	3.7
193.10115	20.9
194.07355	4.2
194.10947	4.6
195.08119	6.5
195.11678	22.4
196.08876	7.4
196.12492	8.5
197.09592	21.4
197.13301	5.8
199.11163	3.3
202.07951	4.2
203.08589	3.0
205.10149	31.9
206.10977	3.0
207.08051	4.3
207.11681	5.5
208.08842	19.1
209.09717	18.8
209.13380	6.6
211.11142	16.9
213.12680	5.3
215.08665	5.7
219.11761	6.9
221.09639	97.9
221.13087	3.8
222.10353	9.7
223.11182	30.7
225.12708	6.2
227.10683	3.5
229.10208	3.9
230.10965	8.7
233.09755	6.5
233.13280	5.6
234.10480	5.0
235.11095	8.7
235.14876	4.7
237.12631	13.9
237.16422	3.2
239.14465	6.1
241.15865	4.0
245.13306	18.2
246.10483	7.3
247.11105	5.4
248.12057	12.7
249.12767	7.0
251.14333	6.0
253.15756	2.9
261.12741	19.1
262.13525	4.4
263.14337	66.7
264.14966	6.3
265.15936	12.6
275.14563	4.0
277.15948	3.7
281.15463	15.6
289.15765	4.0
291.17450	5.7
293.19135	11.5
299.16443	98.8
303.95865	3.2
305.19330	4.0
380.71735	3.4
385.25385	6.8
403.26193	5.8
421.27539	6.4
428.07791	3.2
439.28479	23.4
440.83829	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	439.2849
Annotation	Blazeispirol X
Peak:m/z	Relative Intensity
53.03956	4.5
55.01837	2.6
55.05502	8.9
56.00058	2.1
57.03421	4.2
57.07065	4.3
59.05003	2.7
59.06155	2.0
62.97537	2.5
65.03928	3.9
67.05508	38.0
69.03425	4.4
69.07074	13.6
69.07401	2.8
71.04981	2.3
71.50851	3.5
79.05510	16.5
81.07061	33.6
83.04974	3.6
83.08598	3.4
85.02891	2.6
85.06550	3.9
91.05493	17.4
91.82262	2.1
93.07045	26.8
95.04962	6.7
95.08611	36.0
97.06535	10.2
97.10107	2.9
99.08098	3.3
105.07033	21.5
107.08612	29.8
109.06470	10.5
109.10162	100.0
111.04440	4.5
111.08070	10.4
113.05984	6.1
115.05478	4.1
117.07027	16.6
119.08588	17.1
120.90712	2.5
121.06503	6.7
121.10167	17.7
123.08052	8.8
123.11721	15.2
125.05985	10.8
125.09634	11.7
128.06238	6.9
129.07001	15.7
131.08597	22.4
133.10133	14.7
135.08043	5.7
135.11703	22.8
137.09636	22.6
139.07542	8.3
139.11172	3.3
141.06999	15.4
142.07802	6.8
143.08560	34.0
145.06496	9.0
145.10147	21.8
147.08087	5.5
147.11699	15.5
149.09621	6.8
149.13240	5.0
151.11159	6.8
153.07021	3.5
153.09084	4.8
155.08588	29.7
155.10652	59.9
156.09322	3.4
157.06514	2.7
157.10147	26.5
159.08015	6.6
159.11693	16.6
161.09625	6.8
161.13260	4.0
163.11176	8.2
163.14778	2.8
165.06953	3.8
165.12827	2.7
166.07808	5.9
167.08585	14.4
169.06497	3.1
169.10146	17.3
171.08075	11.4
171.11720	13.5
173.09639	17.4
173.13274	8.5
175.11166	8.6
175.14713	2.4
177.12704	6.3
179.08533	8.4
179.14261	3.2
180.09303	4.5
181.10141	40.0
182.10855	3.7
183.08023	3.2
183.11705	21.0
185.09634	9.5
185.13319	12.3
187.11172	9.0
187.14822	3.1
191.10707	4.5
192.09398	4.7
193.05014	2.4
193.10123	13.6
193.11981	2.9
194.10837	4.0
195.11737	23.3
197.09599	4.7
197.13303	16.2
199.11115	6.6
199.14793	3.5
201.12727	5.4
205.10172	4.9
207.11711	13.8
209.09605	6.2
209.13205	12.6
210.10243	2.6
211.11250	13.8
211.14886	8.1
213.12811	14.8
213.16435	3.8
214.46164	2.5
215.14288	4.7
217.12143	2.8
219.11682	3.3
221.13234	10.5
223.11209	3.5
223.14801	9.7
225.12787	10.1
225.16385	3.9
227.14362	3.8
231.13803	5.0
233.13226	3.4
235.14798	4.9
237.12779	5.3
237.16428	8.0
239.14304	9.2
239.17928	5.2
241.12117	2.7
241.15913	5.3
243.13843	5.6
247.14847	7.1
249.16406	9.7
251.14240	4.3
251.17831	2.7
253.15884	5.4
255.13786	5.3
257.15314	3.3
263.14209	2.8
265.15887	10.6
265.19507	3.3
267.14276	2.7
267.17416	19.3
269.15720	2.5
269.18878	2.6
271.16940	2.8
275.17883	3.8
279.17334	4.1
281.15384	55.4
283.16980	38.0
284.17706	12.8
285.18488	14.6
291.17374	2.3
293.19031	8.7
295.17184	2.6
297.18579	6.0
309.18448	6.9
311.20035	17.8
323.20035	5.4
327.19791	3.5
349.21613	5.6
351.23022	7.5
363.23178	2.6
375.26843	4.7
385.25519	3.7
393.27887	16.0
403.26437	26.1
421.27386	67.2
431.76672	2.7
439.28464	59.0
439.33994	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	439.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.0
55.05519	7.4
64.40324	2.2
65.03954	23.7
67.05511	100.0
69.03434	2.8
69.07073	5.5
69.52279	2.0
70.06604	11.6
72.08155	6.8
78.28072	2.9
79.05499	13.9
81.03388	2.5
81.07065	23.4
83.08627	3.2
84.08144	7.4
85.02907	3.1
85.06574	3.1
86.09705	6.1
91.05491	15.6
93.07053	20.3
95.04978	44.3
95.08626	20.3
97.06545	5.4
98.21635	3.3
99.08144	2.7
100.11217	2.7
105.07037	27.4
107.08622	21.3
109.06534	4.2
109.10170	9.4
109.36316	2.1
109.49516	2.2
117.07031	5.1
119.08600	17.3
120.08110	2.4
121.10157	9.2
123.04446	10.2
123.08087	3.3
125.09674	3.6
128.06223	3.5
129.07021	11.4
129.10197	2.3
131.08574	16.2
133.06432	3.0
133.10152	13.9
135.08066	4.0
135.11740	3.4
137.09633	3.3
141.07031	8.7
142.07837	10.6
143.08553	24.5
145.10120	15.8
147.11687	5.6
149.09602	4.0
149.13335	3.6
151.07596	3.8
153.07013	4.5
153.33467	2.6
155.08566	38.2
157.10144	51.2
159.08063	3.8
159.11685	13.8
161.09595	2.9
161.13261	5.6
163.03941	2.8
165.06972	2.5
166.07803	2.9
167.08611	6.7
168.09352	3.2
169.10155	16.7
171.11684	16.7
173.09613	4.6
173.13222	5.5
175.11205	5.1
179.08513	10.6
180.09363	4.8
181.10130	16.4
182.10872	3.5
183.11707	23.5
185.13326	6.5
187.14880	2.7
192.09348	6.3
193.10213	8.4
194.10947	3.5
195.11736	19.5
196.12479	4.0
197.13234	19.7
199.14870	5.3
205.10199	5.4
206.10947	3.9
207.11755	27.3
208.12466	3.7
209.13283	23.1
211.14832	10.1
213.16431	2.6
219.11772	5.5
221.13240	14.5
223.14864	14.4
225.12758	2.6
225.16440	3.5
227.14377	4.8
229.68251	3.2
233.13260	3.3
234.14090	5.5
235.14896	16.4
237.16417	4.0
247.14871	3.9
249.16391	44.3
249.18927	2.6
250.17215	3.0
251.17946	26.8
251.30386	2.2
260.09341	2.6
261.16458	4.0
263.18060	6.3
267.17499	49.7
269.19089	8.3
275.18216	2.8
277.19586	4.0
289.19385	4.1
291.21219	6.8
309.18954	2.7
309.22180	10.5
357.25031	2.5
385.25281	4.6
403.26358	22.1
421.27393	41.2
422.26996	2.8
438.22559	2.4
439.23849	3.2
439.28824	15.7
440.28107	6.8
457.28745	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	439.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.2
55.05514	7.7
57.03422	1.6
57.07065	2.0
59.05006	1.0
65.03943	2.0
67.05508	23.2
69.03435	8.8
69.07071	5.8
69.42831	4.9
71.08647	1.0
72.12920	0.9
74.56013	0.9
79.05492	7.9
81.07057	22.9
83.04984	2.5
83.08611	4.0
85.03827	0.9
85.06551	2.2
91.05487	9.7
92.39932	0.9
92.91001	0.9
93.07047	13.1
95.04970	4.9
95.08608	24.9
97.06532	2.9
97.10151	2.0
99.08082	2.8
105.07033	14.3
106.06477	0.9
107.04957	3.6
107.08598	18.1
107.73001	1.0
109.06536	8.6
109.10160	55.5
111.04443	2.2
111.08092	7.5
113.05994	2.7
115.05429	2.0
117.07018	3.5
119.08578	11.4
121.06497	8.7
121.10150	11.6
121.10957	1.5
123.08085	4.0
123.11705	10.9
125.05991	3.1
125.09651	7.5
126.06304	0.8
128.06235	10.1
129.06976	5.6
130.07813	1.4
131.08574	8.1
133.06480	1.5
133.10133	8.3
135.08041	5.9
135.11702	8.3
137.09624	13.2
137.13237	1.3
139.07552	3.5
139.11201	2.0
141.06966	3.1
141.09108	1.9
142.07765	3.2
143.08563	24.1
144.05687	1.3
144.09338	1.4
145.06509	4.4
145.10114	12.6
147.08043	5.9
147.11682	6.2
149.09616	2.3
149.13254	4.0
151.11195	4.4
151.14832	1.0
152.06258	2.2
153.07018	3.1
154.07832	1.4
155.06032	1.1
155.08612	12.3
155.10663	24.7
156.09293	1.7
157.06523	1.0
157.10114	8.8
158.07230	1.4
158.10945	1.5
159.08078	5.5
159.11682	7.7
161.09625	4.4
161.13255	3.8
163.11171	1.1
163.14836	1.9
165.07019	2.1
165.12833	0.9
166.07796	1.1
167.08557	3.9
168.09406	1.8
169.10100	8.7
169.12334	1.3
170.10880	1.0
171.08054	100.0
171.11584	5.4
173.09613	5.8
173.13304	5.1
175.11179	2.7
175.14767	3.7
177.12727	1.5
178.07742	3.0
179.08597	6.9
179.14288	1.8
180.09361	2.2
181.06499	2.2
181.10092	7.3
182.07260	3.3
182.10864	2.2
183.08022	5.0
183.11691	7.0
184.07314	1.2
185.09662	6.5
185.13264	6.5
187.11145	2.7
187.14813	1.3
189.09016	1.5
189.16341	1.4
191.08560	1.4
191.17905	1.7
192.09312	3.7
192.29582	1.1
193.10136	7.5
194.07304	2.0
194.10846	1.5
195.08128	5.3
195.11688	6.8
196.08846	5.6
196.12474	1.5
197.09627	20.8
197.13269	7.6
198.13965	1.6
199.11116	2.8
199.14819	13.0
200.15578	1.1
201.12801	1.5
201.16452	0.9
203.14273	1.2
205.10132	6.6
206.10843	1.0
207.11697	10.0
208.08833	3.7
209.09645	7.9
209.13246	3.3
210.10455	4.5
210.12363	0.9
211.11183	14.3
211.14705	2.4
213.12730	3.9
215.08536	0.9
215.14218	1.1
215.17856	0.9
217.15857	2.2
219.11673	2.1
220.12357	1.1
221.09653	9.7
221.13162	4.3
222.10365	1.6
223.11182	10.9
223.14716	2.3
225.12737	14.8
225.16321	1.3
227.14301	1.3
229.12273	1.0
230.10916	1.1
231.11674	2.1
232.12430	1.2
233.13231	2.1
234.10327	1.2
235.11200	3.2
235.14696	2.1
237.12732	9.3
237.16417	2.5
239.14311	3.3
239.17924	1.6
241.15938	1.1
245.13210	5.6
247.11081	1.1
247.14841	1.8
248.11877	1.4
248.15417	1.3
249.12718	2.0
249.16470	2.1
251.14267	3.6
253.15970	1.2
253.19548	1.1
261.12863	1.6
261.16376	1.3
263.14334	15.1
264.14926	1.3
265.13290	1.6
265.15878	16.8
266.16492	2.5
267.17447	24.6
277.15775	2.7
277.65128	0.9
279.17462	5.1
281.15390	1.7
281.18939	1.4
283.16962	6.0
285.18497	4.0
289.15567	1.2
291.17429	6.1
293.15881	0.9
293.18933	4.2
295.20557	1.4
301.19431	1.5
305.18991	3.2
307.20605	1.2
309.18393	2.5
313.21512	1.2
315.17343	1.8
317.19159	1.5
319.20590	1.3
349.25082	1.2
375.26819	5.1
377.24719	3.3
385.25299	6.2
393.27930	2.6
395.25891	2.7
403.26309	11.8
421.27478	6.1
421.32449	1.0
439.28296	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	439.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.0
54.28085	2.9
55.01879	4.3
55.05522	13.2
57.03415	3.0
57.07069	4.6
59.04997	4.6
61.38722	2.9
65.03935	3.6
67.05506	30.0
69.03439	14.2
69.07067	18.5
69.94236	8.3
69.94642	5.1
72.03854	2.6
79.05493	24.6
81.03428	3.9
81.07059	47.4
82.32467	2.5
83.05002	6.5
83.08639	6.5
85.06574	4.4
91.05074	2.4
91.05495	27.1
93.07053	30.1
95.04961	6.2
95.08613	49.1
97.06532	16.7
98.21463	5.3
104.92319	2.7
105.07047	40.6
107.04942	4.5
107.08599	45.3
109.06546	13.6
109.10168	61.2
111.08089	17.8
115.05427	6.2
117.07032	10.1
119.08591	23.3
121.06516	9.9
121.10146	33.3
123.08060	8.5
123.11687	15.7
125.05991	21.1
125.09634	17.3
127.07576	2.7
128.06210	13.6
129.07016	9.3
130.07755	4.4
131.08569	24.7
133.10103	25.5
133.94080	2.7
135.08090	17.3
135.11673	16.5
137.09621	17.4
138.86153	2.6
139.07539	5.7
139.11183	7.3
141.06978	8.8
142.07813	6.5
143.08578	36.9
145.06482	4.9
145.10123	33.8
147.08046	11.5
147.11710	14.5
151.07545	3.6
151.11176	3.5
153.07002	7.9
153.09094	15.5
155.08597	19.5
155.10625	19.5
157.10129	26.0
158.10896	4.6
159.08110	12.7
159.11696	17.6
161.09660	9.5
161.13269	9.6
165.06981	4.7
165.09192	3.3
167.08612	6.1
169.10100	18.5
171.08064	100.0
171.11644	16.8
173.09676	14.6
173.13258	10.4
175.11171	6.2
175.14832	4.2
176.32765	2.9
178.07773	6.4
179.08575	10.0
180.09319	6.6
181.10109	11.0
182.07234	5.4
183.08041	4.0
183.11734	10.9
184.07324	8.6
185.09630	11.0
185.13257	18.0
187.11159	8.1
187.14789	7.2
189.09106	5.6
189.12845	3.7
191.10718	3.6
193.10066	11.2
194.10858	3.8
195.08081	5.1
195.11736	11.5
196.08867	5.9
197.09579	21.6
197.13278	16.1
198.10190	2.9
199.11189	4.7
199.14830	22.4
200.15588	9.3
201.12799	4.7
205.10086	14.1
205.11938	3.2
206.10970	4.2
207.11696	11.8
208.08789	5.3
209.09564	7.4
209.13295	9.2
211.11252	16.5
211.14818	7.9
213.12761	4.6
217.10123	2.9
221.09653	20.1
221.13210	9.5
223.11171	11.4
223.14807	6.4
225.12753	9.3
225.16409	10.3
227.14305	6.2
229.12236	3.7
229.15814	5.1
230.10986	6.4
231.11807	6.0
235.11238	2.9
235.14790	5.9
237.12794	6.9
239.14421	5.2
239.17918	12.8
241.19531	3.7
245.13264	16.3
245.15494	4.5
247.14702	4.8
249.12709	4.3
249.16414	8.3
251.14337	5.9
251.17891	5.2
263.14313	26.9
263.17142	3.1
265.15930	11.0
267.17474	21.7
269.18997	3.6
275.17783	5.1
277.15771	5.2
279.17337	6.3
279.21048	3.8
281.15616	4.3
283.16956	3.7
285.18546	23.3
287.20154	3.2
291.17334	5.9
293.18921	16.2
299.16452	6.2
307.20578	4.5
309.18582	4.0
311.20190	4.2
313.21558	3.5
317.18979	3.3
323.20004	3.6
347.25906	5.3
353.24948	6.8
375.26682	11.1
385.25317	8.3
393.27887	16.4
403.26340	38.2
421.27380	31.1
423.09488	3.1
439.28925	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	9.3
57.03441	5.5
57.07063	6.5
60.08165	7.1
67.05508	28.8
69.03444	25.8
69.07068	12.8
71.07415	3.5
71.50837	4.6
74.52341	3.2
77.53900	3.4
79.05508	21.7
81.03439	5.7
81.07066	31.3
83.04988	5.0
83.08621	9.0
85.06541	6.3
86.09717	20.6
91.05502	21.8
93.04552	4.5
93.07054	31.9
94.35409	3.2
95.04970	9.6
95.08622	47.6
97.06548	8.2
99.08112	6.3
103.05503	3.8
105.07058	20.6
107.08602	44.8
109.06530	13.8
109.10165	50.9
110.07169	3.7
111.08086	16.0
115.05461	4.2
117.07008	6.7
119.08581	14.5
121.06523	13.5
121.10150	28.0
123.08067	10.8
123.11720	15.4
125.00030	18.1
125.06017	6.6
125.09614	18.1
128.06239	8.2
129.07021	10.4
131.08569	12.5
133.06485	4.2
133.10124	14.4
135.08076	37.9
135.11690	14.0
136.08702	14.2
137.06042	3.8
137.09660	11.4
139.07545	12.7
139.11189	4.5
141.06970	5.8
142.07796	6.1
143.08562	16.6
145.06386	6.2
145.10143	12.9
147.08051	8.0
147.11713	7.8
149.13289	6.3
151.07545	7.1
152.08368	5.9
153.06982	5.4
153.09122	3.8
154.07669	3.2
155.08572	30.3
155.10654	8.2
157.10173	12.3
159.08034	6.8
159.11719	10.4
161.13239	7.6
163.14772	4.0
165.07008	7.1
165.09198	7.0
165.12651	4.4
166.07794	6.4
167.08572	6.9
169.10133	11.3
171.08075	100.0
171.11700	7.8
172.08594	4.3
173.09613	14.5
173.13312	6.2
175.11182	5.6
175.14847	4.6
177.12805	5.6
178.07767	7.2
179.08595	10.3
179.14302	6.3
180.09380	12.8
181.10118	21.1
183.11714	12.9
184.07359	52.5
185.09669	10.0
185.13303	8.5
190.07849	3.9
191.08534	5.3
192.09375	14.2
193.10178	22.2
194.11017	8.1
194.12865	5.3
195.08109	3.7
195.11700	13.1
196.08862	5.5
197.09657	22.4
197.13370	6.4
205.10170	47.4
207.11761	18.3
207.13629	5.2
208.08980	5.9
209.09569	10.0
209.13425	8.4
210.10530	3.9
211.11281	18.4
211.14926	4.4
213.12737	10.0
215.08597	13.4
216.09413	4.4
217.10213	4.4
218.10840	4.5
219.11761	7.8
221.09669	32.0
221.13292	9.4
223.11263	19.0
223.14699	4.7
225.12808	19.2
229.10234	6.7
230.11005	15.2
231.11775	9.1
232.34035	3.4
233.13257	7.5
235.14822	4.8
237.12787	8.9
239.14308	4.0
245.13303	53.5
247.14909	9.6
248.15523	6.9
249.12646	8.2
249.16412	3.8
249.18713	4.2
251.14343	7.8
261.12875	5.3
263.14349	78.8
265.15927	20.5
266.16498	5.2
267.17496	14.0
273.16348	7.2
277.15970	7.0
279.17410	8.5
282.14053	3.8
291.17450	10.0
293.18964	12.2
295.20636	3.1
301.15967	4.0
301.19186	4.8
305.19104	4.5
314.65823	3.3
315.17645	5.8
317.19025	12.7
319.26379	4.6
345.22531	4.2
347.25845	37.3
365.26810	32.0
375.26883	9.9
385.25415	20.7
403.26382	36.0
421.28464	14.2
439.30685	87.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2842
Annotation	Blazeispirol X
Peak:m/z	Relative Intensity
53.03942	8.7
55.05508	20.3
57.03423	8.1
59.04988	23.4
67.05508	56.2
69.03421	15.8
69.07072	7.9
70.06598	9.5
70.75688	17.4
71.04994	10.3
72.08185	6.9
79.05499	39.4
81.07073	48.9
84.08163	10.2
85.02890	8.8
85.06529	18.0
91.05477	45.1
93.07072	34.8
95.04951	7.8
95.08626	69.8
97.06529	26.3
99.08081	13.9
102.73958	7.1
105.04417	7.2
105.07032	60.4
107.08593	87.2
109.06507	21.2
109.10176	60.2
111.04438	11.3
117.07037	8.4
119.08582	43.0
121.06487	11.0
121.10167	35.6
123.08080	69.4
123.11716	15.5
125.05989	34.7
125.09636	50.9
128.06229	12.8
129.07008	20.5
131.07069	15.8
131.08586	37.0
133.10107	30.9
135.08046	16.6
135.11710	15.5
137.09633	17.3
141.07013	10.8
142.07785	30.2
143.08566	47.9
145.06505	11.7
145.10133	42.6
147.11693	18.2
149.09627	13.7
149.13211	13.3
151.07532	13.3
153.07043	6.9
153.09122	23.7
155.08562	100.0
155.10669	19.6
156.09331	12.4
157.10138	86.0
159.11734	33.9
161.09624	13.6
161.13295	8.4
163.11090	7.5
167.08566	15.3
168.09332	7.3
168.21933	6.2
169.08597	38.1
169.10135	34.0
171.08105	12.7
171.11705	30.1
173.09651	41.8
173.13274	16.9
175.11183	14.0
177.12788	11.6
179.08559	15.4
181.10107	37.6
183.11700	43.7
185.13277	11.7
187.11105	7.5
189.09053	7.8
189.12732	11.9
191.14505	7.5
192.09402	9.3
193.10101	27.5
195.11742	38.5
195.13243	5.9
197.09662	7.8
197.13316	33.5
199.11235	12.6
199.14751	10.1
201.12772	8.9
206.10913	8.8
207.11700	39.4
208.12491	9.3
209.13213	37.3
211.14790	16.8
213.12714	13.2
219.11644	15.6
221.13295	31.3
223.14818	43.4
225.16496	9.9
227.14259	9.4
233.13258	9.4
234.14073	7.3
235.14752	22.6
237.16434	9.5
239.14270	10.0
241.15750	6.5
245.13200	9.5
247.14824	19.6
249.16411	76.0
251.18044	42.1
253.19479	33.2
259.20605	12.3
261.16351	17.7
265.15851	13.0
267.17590	42.8
269.19003	8.3
271.20496	21.5
275.17963	22.3
277.19516	10.4
278.81714	6.6
285.18637	14.2
289.19537	10.3
291.17404	11.4
293.19043	18.5
311.20044	7.6
385.25244	18.8
389.24399	7.8
393.28287	7.8
403.26379	65.7
421.27335	87.2
433.58859	6.5
439.23087	8.9
439.28568	79.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09697	7.8
52.75077	10.9
53.03948	8.5
55.05514	38.0
57.03437	8.0
57.66060	7.2
62.86902	8.3
67.05510	82.3
69.03423	30.6
69.07059	29.9
70.57074	19.9
70.57397	8.3
79.05505	89.2
81.03430	41.1
81.07069	61.5
83.04994	9.7
83.08607	22.1
85.02908	35.8
91.05497	99.3
93.07061	96.6
95.04964	17.8
95.08628	47.0
97.02893	17.0
97.10171	11.8
105.07039	100.0
106.09253	8.5
107.08608	59.8
109.02853	20.8
109.10168	23.7
117.07037	26.8
119.08603	74.9
121.10172	50.5
127.03901	11.6
129.07011	21.4
131.08577	55.7
133.10138	60.0
135.11702	53.1
141.06854	9.0
143.08542	24.5
145.10121	58.6
147.11700	57.1
149.13260	26.9
156.09378	8.6
157.10141	34.5
159.11697	40.6
161.13277	26.9
169.10048	10.0
171.11687	26.5
173.13257	27.6
183.11714	10.9
185.13336	18.2
187.14894	9.8
195.11717	9.4
231.21100	9.8
238.71463	7.8
241.19499	19.3
257.19040	10.7
259.20615	70.7
273.21768	9.8
275.20261	11.1
277.21664	23.3
283.20639	13.2
301.21765	23.9
339.23303	11.8
367.22824	26.0
385.23663	27.3
403.24765	57.7
421.25943	37.2
461.57071	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	12.9
55.01865	9.9
55.05518	23.7
57.03431	9.8
57.07074	24.9
57.38753	3.2
58.07412	6.0
58.93908	3.1
59.04971	4.1
60.33755	3.3
63.60577	3.9
67.05508	60.8
67.26801	3.3
69.03437	21.8
69.07065	21.7
71.04987	7.5
71.08633	52.1
71.51138	3.0
71.51572	5.2
72.08972	3.0
73.06536	3.4
76.48481	3.4
77.54688	3.5
79.05492	62.2
81.03420	41.6
81.07064	83.4
83.04975	14.5
83.08612	15.3
85.02892	13.0
85.10172	9.3
86.10525	4.6
89.06036	36.9
90.06371	6.0
91.04979	4.7
91.05492	55.1
93.06487	5.5
93.07043	74.1
95.04964	14.5
95.08611	49.5
97.02934	22.6
97.06536	10.7
97.10164	6.1
99.04455	6.4
99.08105	14.7
103.03943	7.1
103.07570	4.8
105.07047	36.6
107.04950	7.6
107.08591	43.3
109.02879	11.3
109.06519	8.8
109.10134	16.8
111.08094	4.3
117.07003	13.3
119.08591	35.5
121.10142	46.2
122.21918	3.4
123.11710	7.6
127.03909	14.6
129.06989	8.3
131.08583	19.9
133.08611	20.1
133.10144	28.1
134.08957	6.7
135.08041	4.0
135.11710	50.6
137.09634	6.3
143.08568	9.3
145.10127	13.1
147.08087	4.2
147.11766	15.7
149.09674	4.3
149.13324	15.5
151.11143	13.9
156.51331	3.8
157.10135	7.3
159.11717	14.3
161.05962	4.0
161.13260	14.2
163.11153	7.4
163.14828	5.5
171.11635	6.9
173.13251	10.4
177.11279	5.9
177.12704	4.6
179.14334	100.0
183.11662	3.9
185.13289	4.4
187.14844	5.6
199.14836	3.8
207.17430	8.4
231.17293	3.9
239.14867	8.8
240.15205	8.2
241.19415	4.8
259.20584	13.2
277.21674	68.6
298.75479	3.3
301.21646	5.1
385.23874	3.9
385.49426	3.7
403.24731	6.6
421.25699	6.7
422.35519	14.7
439.26877	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59880	2.4
53.03941	9.2
55.01873	5.3
55.05514	21.6
57.03435	9.7
57.07083	24.5
58.07381	2.8
62.21196	2.7
65.77200	3.1
66.52625	2.4
67.05511	47.1
69.03445	20.0
69.07083	16.5
71.04996	12.4
71.08634	39.0
72.08987	4.3
79.05500	54.8
81.03426	26.4
81.07066	58.6
83.04983	7.1
83.08628	13.5
85.02903	12.0
85.06539	4.5
85.10184	7.7
87.04466	3.1
89.06059	15.3
90.06401	5.3
91.05488	39.0
93.07048	59.6
95.04981	10.1
95.08618	44.1
97.02914	24.5
97.06550	10.4
97.10167	8.5
98.20765	10.1
99.04467	3.9
99.08106	18.6
105.07036	27.4
107.04960	5.8
107.08611	33.3
109.02892	11.7
109.10168	16.6
117.07043	12.8
119.08615	23.4
121.06504	4.0
121.10165	30.4
123.08102	4.3
123.11714	3.2
127.03922	13.0
129.07022	4.3
131.08557	11.3
133.08630	12.2
133.10143	20.0
135.11691	39.4
137.09653	6.2
143.08603	3.2
145.10152	11.5
147.11713	11.0
149.13248	10.9
151.11208	9.3
157.10126	5.7
158.82890	2.8
159.11652	7.7
161.09627	2.6
161.13235	13.5
171.11647	6.4
173.13240	6.2
175.11276	3.3
175.14796	3.5
177.12766	4.1
179.14323	100.0
185.09682	2.8
185.13254	4.9
207.17566	7.9
224.29164	2.8
229.34399	3.7
235.17032	4.9
239.14836	8.6
240.15172	5.1
259.20627	10.3
277.21661	74.9
288.89032	3.2
400.14734	2.8
421.25763	5.0
422.35333	6.4
439.27127	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	439.1432
Annotation	Shogasulfonic acid A
Peak:m/z	Relative Intensity
66.87934	0.4
71.49577	0.5
88.18659	0.4
92.14471	0.4
103.02460	0.5
108.76505	0.4
111.31824	0.3
111.65733	0.3
133.03465	2.2
151.04547	0.5
156.58153	0.4
168.28535	0.4
175.04547	1.4
187.04541	0.5
201.06100	0.6
211.04564	0.7
217.05588	1.2
222.21974	0.4
226.26074	0.4
277.08978	27.1
295.08737	2.4
439.14249	100.0
440.14691	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	439.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11071	6.7
51.16998	7.2
52.54315	5.9
53.03941	13.4
55.05511	36.8
57.03423	9.5
58.91085	7.3
61.68734	6.2
63.34064	6.2
64.93565	7.2
65.03999	6.2
67.05505	68.6
67.33692	6.3
69.03432	34.1
69.07066	15.5
69.14574	17.0
69.14973	67.5
71.04974	13.1
74.18241	7.8
79.05505	84.5
81.03423	39.3
81.07065	66.5
82.42400	6.8
83.08613	13.2
85.02916	49.7
91.05480	93.4
93.07047	100.0
95.04980	7.8
95.08619	42.5
97.02908	23.1
99.04469	12.7
105.07044	95.0
106.06644	7.9
107.08585	51.4
109.06573	9.1
109.10158	27.5
115.03984	7.4
117.06995	29.3
119.08593	84.7
121.10133	37.3
127.03934	9.1
129.07011	26.8
131.08591	54.3
133.10127	64.2
135.11708	61.1
143.08604	20.4
145.10158	55.7
147.11682	50.7
149.13242	25.9
155.08588	9.1
157.10136	29.5
159.11690	33.0
161.09695	9.0
161.13268	30.7
169.10164	15.1
171.11697	27.0
172.08064	8.5
173.13289	25.6
182.13550	7.3
183.11606	10.5
185.09715	7.2
185.13330	15.9
197.13219	13.5
199.14847	12.4
209.13321	8.8
213.86452	7.3
241.19469	25.4
257.19016	17.9
259.20602	82.9
271.20630	15.3
277.21658	12.3
283.20627	11.7
301.21594	27.0
339.22910	9.5
349.21436	9.2
367.22745	33.4
385.23959	40.6
403.24658	56.2
421.25781	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.6
57.07080	82.2
64.98690	1.6
67.05505	2.7
68.42085	1.7
69.07084	10.3
70.57057	4.9
71.08640	64.8
73.06565	2.7
79.05491	2.6
81.07068	2.7
83.08611	4.8
85.10191	45.4
87.04428	2.0
89.06042	100.0
91.05460	2.8
93.07051	5.4
95.08607	4.8
97.10168	3.1
99.11730	7.7
105.07070	2.9
107.07050	3.7
107.08578	1.8
109.10202	2.2
111.11679	1.9
113.13279	7.3
119.08573	2.4
127.14818	4.8
133.08612	66.8
151.09645	5.3
161.26970	2.1
174.52754	1.8
177.11235	12.9
179.14368	3.7
195.12296	5.6
206.72859	1.8
221.13792	3.1
239.14899	51.1
246.70325	2.1
277.21588	4.4
278.72662	1.7
315.28860	2.1
399.74643	2.1
421.35297	29.3
422.35394	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	437.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.0
55.01863	8.3
55.05508	12.3
65.03938	14.2
67.05181	6.6
67.05512	85.3
68.38108	4.0
69.03437	23.1
69.07068	11.9
70.06594	5.2
71.50684	6.1
79.05490	23.5
81.03416	5.8
81.07062	32.8
83.08612	6.1
84.08131	5.1
91.05486	24.5
93.07056	26.3
95.04978	42.4
95.08607	23.9
97.02871	6.2
105.07034	30.8
107.04977	9.0
107.08594	28.9
109.06508	11.3
109.10152	25.0
114.80514	4.8
117.06998	8.8
119.08606	23.8
120.69736	3.8
121.06516	10.1
121.10115	16.1
123.04473	20.5
123.08052	5.4
123.11632	6.2
128.06204	14.5
129.07010	11.8
131.08562	19.4
133.06531	5.5
133.10133	16.9
135.08064	13.4
135.11659	6.2
141.07059	5.3
142.07823	4.8
143.08560	18.1
145.06483	9.2
145.10146	19.4
147.08055	16.4
147.11681	4.8
149.13264	5.9
153.06967	4.6
155.08556	22.9
156.09314	5.6
157.10132	12.7
159.08054	17.4
159.11720	10.6
161.09656	7.2
161.13242	6.2
165.07022	6.7
169.10144	13.7
171.08073	100.0
171.11766	13.5
173.09627	20.4
173.13300	15.3
179.08542	6.5
181.10075	7.7
183.08112	28.8
183.11717	9.8
193.10176	6.5
195.11749	7.8
197.09642	26.4
197.13211	8.5
207.11636	7.1
208.08839	7.3
209.09563	12.5
209.13264	6.6
211.11203	14.9
213.12740	5.8
223.11191	12.3
223.14818	6.5
224.68724	5.0
225.12871	5.7
227.14282	8.2
235.11168	6.0
237.12584	5.7
239.14296	9.6
249.16295	8.4
251.14410	6.4
262.39621	5.6
265.15991	33.6
267.17590	20.4
291.17639	6.9
347.23810	8.0
373.25372	7.7
383.23364	5.2
401.24954	24.1
404.12967	5.1
418.06970	4.3
419.25836	16.8
437.26074	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	437.269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.9
55.05499	7.2
67.05515	17.7
69.03426	16.9
69.07059	12.1
69.51369	11.7
69.51787	5.4
70.06654	2.3
79.05495	13.3
81.07062	23.3
83.04988	2.6
83.30524	2.5
89.06049	4.6
91.05493	18.5
93.07049	17.7
95.04971	5.9
95.08625	22.2
97.06525	13.5
97.10281	3.2
104.74800	2.5
105.07037	21.1
107.04939	6.0
107.08584	27.8
109.06511	12.6
109.10170	15.2
109.30328	2.6
111.08086	5.1
117.07028	7.4
119.08584	16.8
121.06529	13.2
121.10142	9.4
123.08080	48.8
123.11698	2.7
125.05997	11.3
125.09624	23.6
128.06239	7.7
129.07007	7.2
131.08589	9.1
133.10147	12.5
135.08060	9.0
135.11748	6.3
137.09575	3.5
141.06956	2.7
142.07697	3.1
143.08559	19.9
145.06499	4.7
145.10139	12.1
147.08057	25.8
147.11728	7.3
149.09689	3.6
151.07520	6.5
151.11159	2.7
153.06949	3.8
153.09148	2.5
155.08611	14.9
157.10136	5.7
159.08102	3.9
159.11717	5.8
161.09596	6.2
161.13281	3.2
163.11247	3.7
165.06987	5.2
167.08557	3.5
167.56926	2.6
169.08626	36.9
169.10089	8.3
171.08066	100.0
171.11687	6.1
172.08478	3.4
173.09610	18.2
173.13295	7.1
175.11195	4.8
175.14844	7.7
179.08609	6.6
179.14485	3.6
181.10231	5.2
183.08052	5.2
183.11755	5.4
184.07312	3.4
185.09641	5.6
185.13286	2.7
187.11270	4.8
187.14839	2.9
193.04973	4.6
193.10182	3.9
195.08020	3.6
195.11815	4.9
197.09665	13.5
207.11746	3.3
209.09654	7.2
211.11153	19.6
218.11020	3.9
219.11786	3.1
221.09535	3.8
223.11206	10.6
225.12738	7.6
235.11201	5.4
237.12775	5.7
239.14302	5.3
241.15991	3.8
251.14247	12.7
251.18028	6.7
263.14304	6.1
265.15884	24.6
267.17401	5.4
269.19037	24.4
289.15894	4.0
291.17426	12.1
293.18753	2.9
373.25388	3.8
383.23438	3.7
401.24823	18.0
419.25690	10.9
437.26569	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	437.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.3
55.01875	2.8
55.05514	7.2
57.03241	1.0
57.03442	10.3
57.07064	2.7
67.05177	2.0
67.05505	19.2
69.03432	9.7
69.07066	6.9
69.19888	1.4
70.57349	1.3
70.57671	2.9
71.05009	2.5
71.08636	2.5
75.08562	1.2
77.03934	1.6
79.05064	2.2
79.05499	22.3
79.19960	1.1
81.03429	11.0
81.07056	24.7
83.04961	2.1
83.08617	4.4
85.02905	6.8
85.06535	3.5
89.06028	6.2
91.05489	25.0
93.07053	21.0
95.04987	3.0
95.08607	12.3
97.02907	12.7
97.06532	2.4
97.10181	2.6
99.04441	6.5
104.58157	1.2
105.07036	21.6
107.04982	3.5
107.08613	13.8
109.02892	5.6
109.06516	7.5
109.10161	4.9
111.07990	1.3
117.07020	11.5
119.08588	15.2
121.06510	2.2
121.10161	7.5
123.04504	1.3
123.08054	2.1
127.03927	6.4
129.07025	2.5
131.08577	15.2
133.08606	2.8
133.10150	10.1
135.08069	1.9
135.11707	4.4
137.09627	2.4
141.06970	1.4
143.08580	3.4
145.10147	9.7
147.11676	5.3
149.09671	3.2
153.41792	1.4
157.10178	3.7
159.11763	6.8
161.13324	1.4
163.11186	1.5
171.11714	1.8
173.13251	3.2
175.11275	1.6
185.13336	2.6
195.12245	1.4
197.13254	1.1
201.16440	5.5
203.14377	4.5
209.15416	1.3
217.15945	1.2
219.17455	100.0
220.17812	1.8
221.15538	1.4
257.19012	4.0
264.64883	1.2
275.20071	20.8
293.21179	4.3
294.34677	1.1
419.24191	1.8
437.25189	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	437.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25448	1.1
52.64152	1.2
53.03941	3.3
55.01870	2.4
55.05526	6.6
57.03451	8.4
57.93072	1.2
67.05517	17.4
69.03441	7.2
69.07063	4.5
71.05001	2.1
76.60941	1.2
79.05070	1.6
79.05505	19.9
81.03431	8.4
81.07069	19.4
83.04993	2.2
83.08609	2.9
85.02924	6.6
85.06561	1.4
90.22325	1.1
91.05491	27.5
92.05815	1.2
93.07054	20.1
95.04958	3.6
95.08626	14.4
97.02905	11.3
97.06532	4.0
97.10191	1.9
98.20793	2.6
99.04475	6.8
105.07043	23.3
107.04984	4.9
107.08623	10.7
109.02883	5.0
109.06544	5.7
109.10192	3.5
111.60318	1.3
117.07027	8.9
117.38728	1.1
119.08598	17.7
119.09396	2.0
121.06516	4.1
121.10155	6.5
121.44019	1.2
123.08068	2.2
123.11726	1.6
127.03921	4.9
129.07008	4.4
131.08582	14.3
133.10164	12.4
135.08116	2.5
135.11737	3.7
137.09526	1.4
143.08557	2.6
145.05003	1.7
145.10115	9.4
147.10645	1.1
147.11731	4.0
149.09622	3.8
149.13208	1.3
155.08583	1.3
159.11723	4.7
161.13245	2.7
171.11790	1.7
173.13284	2.6
175.14877	1.5
179.14310	1.9
185.13255	3.1
201.16409	4.7
203.14363	3.3
219.17464	100.0
220.17780	2.9
239.17863	1.5
247.23340	1.2
257.19037	2.8
267.44461	1.1
275.20099	24.8
293.21130	1.2
337.40308	1.2
371.22089	1.3
417.42749	1.8
419.24594	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42338	3.6
52.92211	4.5
53.03940	15.1
55.01860	20.1
55.05520	35.9
57.03426	13.8
59.04992	4.5
67.05508	91.8
69.03438	35.4
69.07071	42.2
71.04987	13.9
71.51186	8.1
73.78839	4.9
79.05502	72.0
81.03423	46.3
81.07071	95.5
83.04975	14.9
83.08605	14.1
85.02904	21.6
85.06545	7.9
91.05494	79.2
93.07059	67.9
95.04999	25.4
95.08612	46.8
97.02885	25.7
97.06524	16.6
97.10165	14.9
99.04462	9.3
105.07037	81.6
107.04945	15.5
107.08598	52.5
109.02849	23.9
109.06532	22.7
109.10169	32.9
111.04419	7.4
111.08092	11.5
113.05990	5.3
115.05450	8.3
117.07018	27.3
119.08575	46.2
121.06487	14.3
121.07336	4.8
121.10165	35.8
123.08096	12.7
123.11700	10.8
125.02421	4.6
125.09627	11.1
127.03925	28.2
128.06195	6.8
129.07002	17.5
131.08600	49.9
133.06494	8.5
133.10123	50.2
135.08060	12.2
135.11678	17.5
137.09631	12.0
141.06967	7.1
143.08548	16.7
145.10136	45.2
147.08028	6.9
147.11702	35.4
149.09630	22.8
149.13310	7.5
151.07545	6.4
153.09068	6.7
155.08592	12.5
157.10078	20.0
159.11714	32.2
161.09691	7.1
161.13272	7.7
163.11150	12.0
163.14749	4.7
165.09145	4.8
165.12776	7.7
165.88556	4.9
169.10188	14.5
171.08145	6.3
171.11659	7.3
173.13414	9.8
175.11243	8.1
177.12717	5.0
183.11690	6.8
184.07347	6.1
185.13284	12.4
187.11209	7.5
187.14761	6.0
189.11218	7.5
189.12750	6.3
195.11594	7.2
197.09782	5.2
197.13266	7.6
199.14746	7.7
201.12863	5.8
207.06589	5.4
213.12770	7.6
219.17397	16.2
227.51379	4.7
229.19450	5.7
239.17950	7.7
247.20564	7.5
257.18961	26.5
259.20520	7.4
275.20087	100.0
287.20175	4.6
299.19983	11.5
317.21124	5.7
383.22159	9.8
401.23331	14.6
419.24277	20.4
437.25531	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	436.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20426	1.9
55.05514	2.7
57.07080	48.0
58.58006	2.0
59.05006	67.0
67.05482	2.4
69.07047	3.7
69.92664	7.4
71.08295	2.6
71.08636	37.3
73.06555	5.1
74.27718	1.9
77.06053	15.7
79.69389	2.0
81.07034	2.2
83.08613	5.1
85.10191	22.3
87.04475	79.4
87.09859	1.8
89.06038	55.7
97.10183	3.8
99.11728	3.2
103.03951	100.0
103.07583	32.7
105.06994	2.3
107.07037	8.5
111.11713	2.8
115.75470	1.8
131.06999	3.5
133.08589	4.7
134.06038	6.4
147.06502	5.2
147.10176	32.4
152.07054	8.2
159.12534	1.9
163.08295	4.1
163.09666	78.8
164.09999	2.2
191.09157	22.9
209.10225	25.8
209.41095	2.2
215.27209	1.9
235.42354	1.8
250.14058	1.8
299.29501	9.8
344.14987	2.1
373.33267	2.2
419.33643	6.0
436.22083	2.3
436.34482	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	436.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	11.4
55.05509	12.0
56.05034	3.6
57.07071	7.0
58.99590	13.1
62.99077	8.9
67.05512	9.4
67.42325	1.8
69.07074	100.0
70.02958	4.3
70.06602	3.8
70.07419	1.9
71.46093	2.1
72.08157	3.6
74.00667	15.3
76.02241	5.4
76.04012	6.2
77.69535	1.4
79.05499	2.9
81.07047	3.1
83.06094	4.1
83.08620	5.1
84.04510	44.0
84.08120	3.2
85.02887	2.4
85.04028	3.7
86.09710	3.6
86.99054	5.7
87.02703	33.2
88.02219	11.7
89.00655	2.1
89.06039	2.0
93.07037	2.9
95.08593	3.0
98.06079	2.1
99.02707	2.2
99.05575	4.3
101.04250	5.0
107.08612	2.0
109.10167	4.7
111.04459	1.6
111.11742	12.6
112.03977	12.7
113.03492	1.7
113.04237	4.2
116.00895	3.4
116.01680	39.8
129.06615	15.0
130.05008	55.1
131.04530	2.7
135.11685	3.5
143.08932	23.3
144.01160	20.3
145.06065	8.3
159.08427	18.9
161.09975	27.0
162.02216	89.4
169.10487	13.0
177.03337	9.4
179.04831	2.6
182.15443	2.2
185.03867	1.8
186.13087	10.3
187.11531	22.8
194.59055	1.7
204.14207	9.9
210.14993	3.6
210.65128	2.1
256.26355	4.4
272.10440	3.4
272.13177	48.6
274.27417	4.0
289.15845	16.9
290.14200	60.8
291.14255	1.8
307.16882	28.0
343.16995	4.5
361.17975	36.4
361.57883	2.0
380.18918	1.8
380.98782	2.1
418.20193	3.6
436.21082	7.2
436.32419	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	436.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	2.5
55.01844	0.8
55.05517	13.1
56.05021	1.5
57.03406	2.6
57.07066	1.8
60.04491	1.1
61.02931	5.1
65.03936	0.9
67.05510	16.4
67.45448	0.7
69.03432	13.1
69.07072	16.0
69.48257	1.0
69.48660	4.7
70.06602	5.0
71.04965	3.0
72.08157	5.4
72.49072	0.7
73.02905	1.7
74.06065	1.2
79.05466	2.8
81.03429	5.2
81.07059	19.9
83.08623	11.4
84.04482	1.0
84.08158	3.5
85.02912	37.4
86.09714	3.7
87.04426	1.9
91.03931	1.5
91.05486	1.0
93.07046	1.7
95.08613	17.3
97.02306	0.8
97.02892	10.8
97.10191	5.0
98.06021	0.9
98.20674	1.2
99.04394	2.5
104.10713	2.9
107.08547	1.0
109.02892	5.7
109.10172	7.9
109.10849	1.3
111.11709	1.0
118.74492	0.7
120.08087	2.4
123.11668	2.1
127.03911	7.4
129.10181	0.9
145.04958	5.8
164.88103	0.7
183.85857	0.7
184.07408	1.8
238.25278	4.6
256.26373	100.0
257.26672	3.2
268.26468	1.1
274.27417	81.4
275.27829	1.6
298.27466	2.9
311.09082	0.7
316.28558	1.4
322.27298	1.2
334.27487	1.0
346.27557	0.8
352.28531	1.3
364.28464	2.5
382.29440	3.3
400.30493	3.9
418.19873	1.4
418.31708	5.7
436.20871	2.5
436.32748	53.9
437.33133	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	436.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.9
55.01868	3.6
56.05027	2.2
56.14627	2.0
57.03443	48.7
58.49578	2.2
60.04519	2.0
60.23713	2.0
61.02937	19.6
65.03937	6.9
69.03088	3.3
69.03436	54.0
69.29623	2.3
70.06604	19.5
70.55795	7.2
71.01342	3.9
71.04990	3.2
71.08641	11.3
72.08147	10.4
73.02925	100.0
80.30843	2.3
81.03425	19.1
81.04538	5.7
84.04510	8.1
84.08144	10.3
85.02916	84.5
86.09695	12.5
87.04469	3.6
91.03992	2.8
91.05480	3.5
93.03407	9.6
95.04987	7.2
97.02898	74.5
98.06027	5.1
99.04449	4.1
99.08095	6.4
100.70288	2.3
109.02887	10.9
111.04443	7.3
112.03975	14.2
112.07635	3.2
114.05534	3.6
115.03942	58.1
116.07024	2.9
120.08068	6.6
122.06028	4.5
123.04443	7.6
124.03920	2.4
125.06010	67.0
126.05522	3.3
127.03938	32.5
127.04894	3.6
128.05312	2.9
129.10228	3.0
132.06592	3.0
133.04962	17.1
137.05974	7.6
140.07072	25.1
144.06548	9.3
145.04974	41.6
150.07616	3.6
151.03912	2.5
152.13275	2.4
158.08182	20.1
162.07597	5.0
163.03885	2.6
163.06050	9.0
176.09193	27.9
177.05475	3.9
180.08626	6.4
193.79318	2.4
223.06111	7.2
241.07063	6.5
243.12253	8.8
259.08228	3.0
261.13434	6.1
333.23706	2.2
337.24484	2.6
436.21774	14.7
436.27332	4.8
443.14630	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	435.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.1
55.05511	24.5
57.03447	14.6
57.07079	9.9
63.51894	5.6
67.05508	40.5
67.20294	5.4
69.03433	22.1
69.07084	33.2
70.71932	14.2
71.05000	66.9
72.08164	6.3
73.02927	9.0
79.05492	30.1
81.07068	100.0
83.04984	11.9
83.08611	13.4
84.08147	7.7
85.02918	76.7
87.04451	11.8
91.05484	28.1
93.07049	76.5
94.10190	6.1
95.04976	26.1
95.08611	76.3
97.06528	12.0
97.10207	9.9
99.04467	11.6
105.07031	69.3
107.08613	78.3
109.06522	16.6
109.10168	58.9
111.04461	21.2
113.01801	5.6
113.06034	5.9
117.07034	12.3
119.08610	61.4
121.06523	13.1
121.10164	57.3
123.08109	9.2
123.11736	29.1
125.06015	10.0
125.09658	8.2
127.11185	7.2
129.05490	23.4
129.07005	9.2
131.08594	29.7
133.10109	42.1
134.96388	5.7
135.08081	11.8
135.11670	34.3
142.07906	7.0
143.08543	20.6
145.10118	47.7
147.11687	31.3
149.09630	6.6
149.13322	30.1
151.14908	6.9
155.08528	9.2
157.10159	23.9
159.11700	36.4
161.09700	8.4
161.13275	29.3
163.14870	17.7
165.12778	6.6
169.10165	6.3
171.11708	15.1
173.13263	18.6
175.14870	18.6
181.15869	6.2
183.11699	9.5
185.13258	15.6
187.14767	9.9
189.16360	9.4
195.11676	9.2
197.13286	6.8
199.14835	9.4
201.16408	19.1
203.17996	11.0
213.16344	16.0
215.17966	23.6
217.19595	7.4
223.14983	6.8
227.17870	8.9
229.19510	10.0
231.21028	6.8
239.18047	6.8
255.21103	7.1
269.22675	17.0
271.24298	15.6
313.25415	7.8
337.25119	8.3
341.24451	9.2
355.26401	14.9
363.26761	9.5
381.27774	27.1
399.28851	21.9
404.83920	6.8
417.29910	33.1
435.31216	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	435.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.3
55.01865	4.8
55.05505	17.9
57.03429	17.5
57.07055	6.7
61.02926	5.1
67.05504	34.9
69.03423	13.8
69.07054	20.4
69.93357	16.1
69.93758	11.2
71.04993	73.9
73.02907	16.9
75.04472	6.5
77.31819	5.6
79.05486	30.6
81.03445	5.5
81.07059	98.6
83.04987	17.2
83.08609	10.2
85.02899	100.0
87.04459	8.8
91.05489	32.8
92.55311	5.8
93.07059	60.9
93.96772	4.4
95.04961	17.8
95.08606	85.2
97.02894	5.7
97.06532	13.8
97.10162	7.2
99.04478	6.8
105.07034	57.4
107.08594	83.7
109.06520	15.7
109.10164	61.7
110.54006	4.7
111.02375	4.6
111.04433	20.4
111.08064	7.3
117.07019	12.1
119.08584	53.5
121.10141	54.2
121.83341	4.7
123.08064	13.2
123.11723	28.5
125.06024	9.2
125.09557	6.3
127.11160	9.9
129.05486	22.1
129.07021	9.4
130.01511	4.6
131.08566	30.1
133.10129	38.8
135.08012	4.8
135.11714	37.2
137.09634	8.6
137.13297	5.8
137.26347	5.2
143.08546	20.4
145.10129	40.0
147.11707	39.8
149.09665	9.0
149.13269	38.5
151.14880	4.7
155.08472	6.3
156.18135	5.8
157.08890	4.2
157.10078	23.4
159.11703	44.1
161.09540	10.3
161.13269	36.8
163.14771	15.6
169.10115	8.2
171.11728	19.3
173.09563	5.4
173.13263	26.5
175.11237	7.6
175.14821	14.7
177.16327	6.2
183.11722	10.6
185.13284	14.0
187.14809	11.6
189.12804	6.0
189.16415	14.6
191.17982	5.4
195.11752	6.8
197.13255	10.9
199.14813	21.6
201.16420	16.7
203.17921	14.1
211.14764	10.2
213.16298	15.8
215.18042	12.9
217.15959	6.6
217.19572	10.6
223.14745	6.7
229.19633	5.1
231.21056	10.6
241.19612	5.3
243.20944	7.9
255.17230	4.8
255.21149	8.3
257.22653	13.4
269.22678	16.3
271.24197	15.4
281.22842	7.0
283.24323	8.8
285.22369	6.6
287.23608	11.8
301.25259	7.1
325.25253	7.8
329.24963	7.1
337.25189	10.2
343.26233	6.5
355.26248	13.2
381.27750	22.9
399.28967	24.9
417.29959	35.0
435.31009	65.6
454.07037	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	435.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.7
55.05515	29.8
57.03428	15.4
57.07064	8.1
67.05518	46.1
69.03432	16.9
69.03771	4.7
69.07079	34.8
71.05003	67.0
71.50243	7.0
72.22505	4.5
73.02915	11.5
79.05507	26.3
81.03422	9.8
81.07064	100.0
81.32324	4.7
82.07366	5.2
83.04990	25.2
83.08610	20.9
85.02911	84.3
86.03262	5.3
87.04466	7.2
91.05489	34.8
93.07047	63.7
95.04961	25.5
95.08620	80.7
97.06508	9.9
97.10143	13.0
99.04476	9.8
105.07046	54.4
107.08601	68.7
109.06510	16.9
109.10177	69.9
111.04449	23.1
111.08067	6.0
111.11724	5.2
117.07021	12.4
119.08607	53.5
121.10134	58.2
123.08057	13.1
123.11720	26.7
125.05989	6.3
125.09536	5.4
127.03847	5.7
127.11169	5.9
129.05499	22.3
131.08574	24.8
133.10149	42.5
134.10545	4.5
135.08113	10.1
135.11676	27.9
137.13254	9.8
139.07545	6.0
143.08536	28.2
145.10138	33.4
147.04408	15.8
147.08061	5.2
147.11685	36.9
148.04755	9.6
149.09593	5.3
149.13307	29.1
151.14694	5.5
155.08574	6.9
157.10081	25.8
159.11714	36.3
161.13295	34.0
163.11211	7.0
163.14848	19.3
165.12767	6.6
169.10088	9.2
171.11618	12.6
173.13281	17.7
175.14903	13.8
183.11690	9.8
185.13268	11.3
187.14787	16.5
189.16370	10.6
191.14351	5.7
191.18109	6.5
197.13249	8.4
199.14900	12.5
201.16425	22.2
203.17973	8.8
204.42311	4.5
211.14857	13.1
213.16397	12.5
215.14337	5.4
215.17973	13.1
217.19571	7.2
221.27031	5.1
225.16270	5.5
227.17975	8.6
241.19542	8.8
243.20857	8.3
251.17880	7.5
252.23338	7.6
253.19479	8.8
253.23552	13.1
255.21014	6.2
257.22543	10.9
269.22665	19.5
270.24451	29.2
271.24545	59.8
281.22705	5.9
283.24152	10.0
287.23679	9.0
295.24216	8.1
301.25067	6.4
305.27786	4.7
313.25171	11.4
343.26328	6.6
355.26382	12.8
381.27744	23.3
382.59866	5.3
399.28857	26.9
407.46304	4.5
417.29938	29.5
435.30948	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
53.82102	1.0
55.01847	1.3
55.05514	8.6
64.88962	1.0
65.03926	1.8
67.05505	15.5
69.03148	1.1
69.03436	10.8
69.07076	5.6
75.34763	1.0
77.03939	1.5
79.05495	14.6
81.03401	1.6
81.07062	22.4
83.04984	7.2
83.08621	2.7
85.06538	1.2
91.05483	19.5
93.07046	18.3
95.01345	1.7
95.04967	3.5
95.08613	15.5
97.06545	5.6
98.20632	2.1
103.05447	1.8
104.06220	1.2
105.04504	1.3
105.07033	31.4
107.04951	5.5
107.08603	24.4
109.06517	22.1
109.10164	19.2
111.04430	4.2
111.08087	12.4
115.05467	3.2
117.07026	9.3
119.04934	1.5
119.08581	26.3
119.09451	1.2
121.06502	18.2
121.10135	15.7
122.07293	1.6
123.04443	3.0
123.08054	11.6
123.11742	6.7
125.05985	6.0
125.09618	6.8
128.06233	8.8
129.07007	9.3
130.07822	2.7
131.04953	1.9
131.08568	17.0
133.06531	6.1
133.10147	18.1
135.04405	7.6
135.05280	1.1
135.08070	13.5
135.11687	5.7
137.09625	43.2
139.11163	3.1
141.06944	6.0
141.09230	1.2
142.07802	8.3
143.08568	21.6
144.05667	1.4
144.09331	1.3
145.06480	10.2
145.10120	15.3
147.08064	12.5
147.11691	8.5
149.08450	1.7
149.09628	20.6
149.13254	3.6
151.07545	5.0
151.11154	3.3
153.06972	4.5
153.09068	2.4
154.07797	3.8
155.08583	12.0
155.10677	1.8
156.09296	5.9
157.06506	2.5
157.10138	18.9
158.07304	1.8
158.10809	1.3
159.08072	15.0
159.11693	12.7
160.08896	7.3
161.05971	1.6
161.09621	22.4
161.13251	2.9
162.00339	1.0
163.11142	8.9
165.07004	7.2
166.07814	3.3
167.08566	8.7
167.19164	1.2
168.09334	4.7
169.06454	2.1
169.10126	16.6
170.10880	2.2
171.08052	34.7
171.11673	16.3
172.08760	1.6
173.09593	14.5
173.13264	4.4
173.57649	1.1
175.11191	23.3
175.14717	1.4
177.12732	15.9
178.07744	5.4
179.08554	17.6
179.10301	2.1
179.10683	2.1
180.09349	7.0
181.06499	2.2
181.10135	17.0
182.07301	2.7
182.10863	4.3
183.08064	4.9
183.11647	9.0
184.08853	2.0
185.09592	12.8
185.13283	10.5
186.10422	1.1
187.07552	8.0
187.11197	6.9
187.14896	1.9
189.12808	7.0
191.08566	3.7
191.14336	1.6
192.09328	8.4
193.10164	19.6
193.12077	2.5
194.07324	2.2
194.10922	17.8
195.08064	9.3
195.11696	16.7
196.08778	4.3
196.12433	4.3
197.09622	13.7
197.13257	6.5
198.10338	1.6
199.11192	8.8
199.14848	2.1
201.09180	1.8
201.12770	5.9
202.07784	2.1
203.08629	4.1
203.14314	1.9
204.09344	2.9
205.10170	7.6
206.07224	1.3
206.10915	5.7
207.08092	5.5
207.11682	23.3
208.08853	9.4
208.12407	3.0
209.09677	12.1
209.13226	8.5
210.10416	4.0
210.14066	1.5
211.11212	15.8
211.14749	5.5
212.11873	2.5
213.09171	1.3
213.12732	20.4
213.16284	1.1
214.13397	1.5
215.08578	5.3
215.10602	2.4
215.14331	2.8
216.09357	2.7
217.10187	7.1
218.10962	5.6
219.08116	3.5
219.11685	10.5
220.08917	4.5
220.12442	6.0
221.09654	13.7
221.13219	11.1
222.10519	9.1
222.14026	10.9
223.11172	16.2
223.14792	3.9
224.11905	3.2
225.12680	8.8
225.16470	1.8
226.13399	1.3
227.10684	2.6
227.14357	3.9
229.10118	3.3
229.12225	2.1
229.15831	2.2
230.10921	9.3
231.08092	3.0
231.11681	5.1
232.08850	2.3
232.12527	4.1
233.09621	10.2
233.13266	9.5
234.10405	7.3
234.14003	2.0
235.11172	23.9
235.14767	7.4
236.11859	2.0
237.12758	19.0
237.16415	2.6
238.13557	1.6
239.10683	3.0
239.14297	14.9
240.15030	1.6
241.10135	2.4
241.12289	4.1
241.15976	4.4
243.11685	2.8
244.12550	1.8
245.09666	8.4
245.13225	7.9
246.10384	9.3
246.14095	3.1
247.11198	7.9
247.14827	5.8
248.11917	13.1
249.12741	12.8
249.16487	1.6
250.13670	2.1
251.14362	7.5
251.18201	1.4
253.12372	6.4
253.15884	5.0
255.13809	4.8
256.12524	1.9
257.13269	1.8
258.14236	1.3
259.11160	9.2
259.14938	2.3
260.12048	6.3
261.12781	15.5
261.16370	6.4
262.13446	2.1
263.14322	71.8
264.14978	4.9
265.13071	1.6
265.15887	12.3
267.13968	5.1
267.17474	3.7
269.15439	1.6
271.11255	1.2
271.14847	4.3
272.11905	2.9
273.12689	2.2
274.13553	13.5
275.14304	5.2
277.12024	1.4
277.15857	4.0
279.13818	6.6
279.17548	3.6
281.15378	25.9
281.18533	1.9
283.17068	2.5
286.13693	1.5
287.14429	5.3
289.15863	41.5
290.16187	1.4
291.14224	1.4
291.17523	4.6
293.15732	2.2
293.18924	2.6
301.15900	2.6
302.16666	1.2
303.17511	5.5
304.18454	2.0
305.15338	4.0
307.13422	1.9
307.16956	28.3
309.18497	2.8
315.17596	1.6
319.16846	2.3
321.18518	1.9
321.21964	2.5
325.18021	30.1
331.20453	2.3
341.18958	2.1
347.20193	1.6
349.21628	7.2
357.22229	1.5
367.22781	2.5
371.23645	3.7
373.21426	1.8
375.23080	2.9
381.22031	4.0
389.24884	7.2
399.23193	30.3
400.23486	1.6
407.25790	2.3
417.24249	63.0
435.25323	100.0
436.25699	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	435.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51318	0.4
55.05515	0.6
55.46061	0.4
56.05041	0.6
65.57941	0.4
69.14701	4.3
70.06596	5.0
72.08162	2.8
78.70271	0.4
78.80521	0.4
84.04508	1.1
84.08143	2.9
85.02916	0.6
86.09711	4.3
95.04961	0.5
96.40845	0.4
108.21600	0.5
120.08098	2.6
129.03055	0.4
129.10236	1.2
131.04901	0.4
136.07549	0.6
151.04031	0.4
159.09042	0.5
177.05518	0.9
195.02969	0.8
208.33839	0.4
273.16748	12.4
273.19568	0.8
426.16376	0.5
435.22058	100.0
436.22537	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	435.2511
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
53.03957	5.6
55.05522	25.8
57.03431	10.7
57.07080	8.7
67.05514	53.5
69.07074	23.5
70.75767	8.0
70.76118	5.3
79.05498	22.0
81.03410	5.1
81.07059	63.5
83.08614	14.6
85.06570	5.8
91.05507	19.0
93.07041	28.0
95.04968	6.5
95.08622	43.0
97.06519	6.8
97.10166	10.9
98.03870	3.9
98.98475	74.1
105.07035	23.9
107.08588	15.3
109.06540	46.0
109.10159	27.4
111.08078	5.9
117.07010	6.4
119.08604	19.5
121.10159	16.0
123.08100	5.9
123.11733	10.6
125.30422	3.7
131.08607	9.9
133.10165	18.0
135.08049	6.8
135.11678	9.0
137.13217	3.7
143.08524	5.8
145.10155	11.4
147.08017	4.1
147.11711	3.9
151.07574	14.7
155.01071	14.4
157.10088	9.3
161.09616	5.0
161.13217	4.8
169.10078	6.6
171.11671	5.8
173.02081	13.7
173.13188	3.8
185.13319	4.1
207.11568	4.2
207.13663	6.1
221.15445	5.8
245.22710	10.0
255.17526	5.3
263.23770	14.1
279.29242	3.6
337.27405	100.0
344.40228	3.8
417.27606	5.0
435.28714	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68885	2.3
53.03941	5.9
55.01867	9.9
55.05510	14.9
56.05042	22.4
57.03445	17.8
58.06609	4.1
60.04528	14.4
61.02930	46.6
67.05500	10.5
68.05016	3.5
69.03434	19.5
69.07069	13.2
69.29845	16.6
69.30264	3.2
70.06598	90.8
71.04999	5.7
72.07755	4.2
72.08160	78.5
73.02927	20.5
73.08498	4.2
74.06084	23.0
79.05497	29.2
81.03432	20.9
81.07066	4.0
84.04518	18.3
84.08148	100.0
85.02909	52.5
85.08477	5.8
86.09712	85.3
87.04466	3.3
87.10040	4.1
88.03998	6.4
91.03960	24.6
91.05485	32.4
93.07048	32.4
95.04991	4.5
97.02896	41.6
97.06561	2.7
98.06039	4.1
99.04461	6.9
101.02366	9.6
101.07149	7.1
102.05545	4.7
103.03944	5.1
104.05305	4.0
105.07066	2.7
107.04963	47.1
107.08608	22.4
109.02881	9.2
110.07172	5.8
110.09692	4.8
111.08102	2.7
112.07612	2.5
112.08726	6.7
112.11257	5.4
113.07193	4.1
115.03938	4.4
115.05434	4.5
115.08688	5.1
115.69218	2.3
116.07102	5.2
117.07050	30.2
119.08635	5.3
120.08094	10.8
121.06500	7.9
123.04438	6.0
125.09637	13.9
127.03945	13.5
127.04778	2.1
127.08637	3.2
128.10733	4.2
129.06639	2.7
129.10249	59.2
130.06544	2.7
130.08659	4.4
130.10567	3.2
131.04890	2.4
131.08176	3.3
135.08069	79.9
135.09123	4.2
136.07521	5.9
145.05046	5.4
145.06461	20.4
146.06021	3.5
147.04390	2.9
153.09088	23.4
155.11697	4.0
163.03983	3.3
163.07558	72.1
173.12837	16.3
177.05479	4.6
181.08583	30.0
183.06581	3.3
185.16518	9.3
186.12286	3.5
188.07077	4.7
199.09685	7.1
201.07489	2.9
201.12375	5.7
206.06635	2.7
213.08853	3.1
237.11180	17.2
255.12254	22.2
273.13330	50.0
288.12119	2.6
297.13391	3.2
399.16336	4.4
406.98584	2.5
417.17737	3.6
435.18784	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	435.1292
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
57.03436	0.7
65.03938	0.5
67.01858	0.8
67.05505	1.0
68.99797	1.0
69.03416	1.3
69.07047	0.7
70.06602	4.3
71.04989	0.7
71.50777	0.5
72.08157	6.2
79.05471	0.7
81.03413	0.8
81.07050	1.1
84.04511	0.9
84.08164	2.6
85.02918	2.6
86.09711	5.3
87.04462	0.7
89.67051	0.6
91.05489	4.0
93.07044	0.9
95.04958	1.4
95.08581	0.5
97.02905	0.9
97.06556	0.6
105.07030	0.7
107.04948	1.7
109.02934	0.6
111.00826	0.5
119.04949	9.9
120.08102	4.5
121.02892	0.7
121.06491	0.8
123.04417	3.6
129.10217	1.4
130.06584	0.5
131.08574	0.5
132.14348	0.5
137.27850	0.5
145.10150	1.2
146.10445	1.2
147.04417	34.3
151.03905	0.9
153.01836	73.4
154.02167	0.6
163.03902	0.5
166.08623	0.6
171.02994	2.4
171.04330	0.5
179.03490	0.6
184.07379	0.5
185.16548	0.6
189.05470	0.9
231.06494	0.9
243.10210	0.7
255.06609	0.5
257.15198	1.1
271.06003	1.5
272.06363	1.5
273.07584	100.0
274.08023	2.4
435.19937	14.6
435.25256	0.6
436.20346	0.7
446.11420	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.01860	0.8
55.05516	13.0
56.05038	0.7
57.03430	0.5
57.07064	0.9
65.03949	0.5
67.05188	0.8
67.05515	8.1
69.07073	14.4
70.01380	0.5
70.01727	1.4
70.06589	0.8
70.75723	0.4
70.90488	0.4
71.04997	1.0
71.08625	0.4
72.08128	0.6
72.93794	0.4
73.06580	0.4
79.05508	3.3
81.03405	0.5
81.06593	0.7
81.07064	12.1
83.04985	0.7
83.08150	0.5
83.08627	7.3
84.04505	1.1
84.08163	0.7
85.02912	0.8
85.06505	0.7
91.05491	4.4
93.07053	4.8
95.04994	0.4
95.08615	11.0
96.08941	0.5
97.06536	1.3
97.10178	5.3
105.07058	2.1
107.08588	2.7
108.44901	0.4
109.06465	0.5
109.10168	6.2
111.08088	0.6
111.11755	1.0
115.03949	0.4
119.04952	10.2
119.08569	1.7
121.10126	2.9
122.10542	0.4
123.08064	0.6
123.11727	2.0
133.10162	2.1
135.11681	2.5
139.11131	0.4
147.04425	42.7
147.11684	1.2
148.04800	0.6
148.11931	0.5
149.13222	1.1
151.11147	0.4
153.12791	0.5
161.13211	1.1
165.03354	0.5
165.05504	11.4
165.12743	0.5
199.56317	0.5
217.19498	0.5
223.20502	0.5
234.76392	0.4
252.23260	19.5
270.24304	100.0
271.24652	1.7
272.24396	0.4
288.25275	0.8
370.58875	0.4
398.27628	0.5
416.28622	0.6
434.29117	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	434.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	17.6
57.03436	8.2
59.04994	18.1
63.84908	6.2
67.05497	21.3
69.03427	11.5
69.07059	14.7
70.06576	22.4
70.96197	4.8
71.05003	31.7
71.50414	12.5
72.08147	11.1
73.06577	5.0
74.39616	4.7
76.68246	4.6
79.05511	32.4
79.65866	4.6
81.07065	100.0
82.07323	5.0
83.04970	8.9
83.08617	8.5
84.08147	15.0
85.02899	22.6
86.09705	11.5
87.04433	7.7
87.83041	5.6
91.05476	21.3
91.06861	4.6
92.31093	6.0
93.07050	54.2
94.07386	5.3
95.04933	9.2
95.08623	45.5
97.06535	26.2
97.10145	9.8
99.08089	14.9
103.52872	5.1
105.07048	64.8
107.08610	74.9
109.06513	11.7
109.10177	38.6
111.04462	6.7
113.67368	5.3
117.07030	8.8
119.08605	47.2
120.08961	5.4
121.10142	36.9
123.08076	7.3
123.11686	18.5
125.09628	34.2
127.11192	24.0
131.08565	13.4
133.10132	39.8
135.11716	59.4
141.06926	5.4
141.09122	8.6
143.08604	8.0
143.10692	39.4
145.10124	53.3
147.11652	23.1
149.13272	21.1
151.11160	9.5
159.11722	28.2
161.13269	43.1
173.13303	6.6
174.13708	5.1
175.14812	7.7
179.14290	17.4
191.17906	11.2
192.41098	5.3
201.16365	33.2
219.17445	35.1
237.18484	8.8
242.89659	5.3
272.25714	7.5
291.20297	5.5
414.17386	5.8
434.30273	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	434.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.3
55.01877	63.2
55.05512	1.5
55.81021	1.2
56.05059	1.6
57.03436	1.5
60.04494	1.5
67.05502	3.7
68.05020	2.2
69.03435	11.2
69.07067	6.8
70.06577	6.1
71.04982	2.0
71.10085	2.7
72.08147	3.4
73.02934	13.2
80.04964	1.6
81.03417	21.5
82.06579	2.0
84.04482	3.5
84.08135	7.1
84.91685	1.5
85.02914	10.9
86.09707	4.9
94.06579	9.7
95.05000	10.4
96.04490	3.3
97.02301	1.8
97.02897	24.6
97.06537	100.0
98.06054	3.4
99.04456	3.5
109.02895	13.0
109.84948	1.2
110.06003	2.4
110.07146	1.3
112.03236	2.3
112.03972	28.3
112.07620	4.2
114.05538	8.5
115.07578	17.9
122.06049	8.4
123.04456	17.0
126.05544	2.3
127.03927	11.8
129.10239	4.0
131.04884	2.6
140.07077	62.4
141.05489	2.3
145.04974	7.4
158.08144	37.3
164.06935	1.7
176.09196	73.7
218.10323	1.4
223.09616	1.4
230.42216	1.4
241.10713	38.2
244.13042	1.4
259.11795	19.6
266.10220	5.7
319.98984	1.8
398.18057	1.7
405.52866	1.4
416.19061	6.1
434.20218	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	434.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.9
53.69089	1.1
55.01878	2.7
56.05042	1.4
57.03193	1.9
57.03443	23.0
59.04998	3.4
60.04514	2.8
61.02935	8.6
64.90052	1.1
69.03436	70.7
70.06602	9.1
71.01373	1.5
71.05013	1.7
71.50099	1.3
72.08156	4.8
73.02924	28.4
74.06044	1.2
75.04471	1.2
76.58317	1.0
81.03436	5.9
84.04494	1.6
84.08142	6.8
85.02911	100.0
86.09702	6.9
87.04475	44.8
87.10046	1.4
91.03954	3.5
97.02898	75.4
97.32356	1.1
98.06070	1.5
99.04487	3.5
103.03960	2.0
103.05523	1.3
105.07038	9.5
109.02869	5.4
110.07204	1.2
111.04516	1.1
115.03938	84.7
115.08673	1.5
120.08144	3.0
121.06558	1.2
123.04507	1.3
127.03924	23.7
129.10281	3.2
133.04974	76.2
145.04965	48.5
147.08011	3.1
149.22501	1.2
150.07625	11.9
161.04402	1.4
163.06039	19.7
169.05063	1.5
171.08040	1.3
181.04776	1.1
189.09184	2.7
192.89812	1.2
201.09174	3.2
219.10254	2.2
223.06004	1.9
231.10240	2.0
241.06992	3.2
249.11388	1.4
259.08255	5.4
277.09467	1.7
285.13312	6.4
293.31082	1.1
295.10254	1.8
302.23654	1.1
413.71960	1.2
435.22174	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01871	1.5
55.05497	1.6
57.03440	30.1
59.05006	4.0
60.04530	2.7
61.02934	7.2
61.62794	1.1
69.03435	72.1
69.19843	13.2
70.06593	13.5
71.01339	2.2
72.04553	1.1
72.08164	5.9
73.02925	22.3
75.04453	1.5
81.03426	4.1
84.04523	1.8
84.08161	8.3
85.02911	100.0
85.08462	1.2
86.09727	8.7
87.03934	2.4
87.04473	46.4
91.03960	4.3
93.07034	1.4
97.02897	71.0
98.21579	1.8
99.04483	5.0
105.07037	9.5
109.02883	7.7
115.03942	84.7
120.08122	5.7
127.03926	23.6
127.08686	1.3
129.10226	3.0
133.04977	80.8
145.04977	42.4
147.08064	3.1
150.07637	14.0
163.06024	19.3
169.05017	1.9
171.08057	2.0
201.09193	2.9
203.46696	1.3
223.06157	1.7
241.07089	3.6
259.08194	4.5
277.09280	2.9
285.13373	5.2
295.10391	3.4
300.48215	1.5
301.71140	1.4
325.92136	1.5
330.96075	1.4
363.10474	1.6
435.21909	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	433.31
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.3
53.75141	1.6
55.05517	27.5
59.05003	58.6
65.03944	3.3
67.05508	14.6
69.03421	6.3
69.07080	9.0
70.97086	4.1
71.04995	3.2
73.06549	2.6
79.05493	15.9
81.07059	18.8
83.04984	4.0
83.08630	2.6
85.02879	1.9
85.06548	100.0
86.36086	1.4
89.01636	1.6
91.05485	45.4
93.06481	2.4
93.07041	30.2
95.04977	7.8
95.08624	27.0
97.06528	2.4
97.10175	2.0
99.08083	7.0
101.06026	2.1
103.05470	3.1
105.07034	41.1
107.04957	2.5
107.08588	21.2
109.06535	11.1
109.10159	17.3
111.08086	10.3
113.00024	13.1
113.50488	1.6
115.05478	7.1
115.49362	1.7
115.64575	1.7
116.06301	2.5
117.07014	15.7
119.08587	63.9
121.06525	4.2
121.10142	25.1
122.07275	3.8
123.08055	9.1
123.11721	6.1
125.09639	28.2
128.06241	6.4
129.07024	9.6
130.07791	4.7
131.08556	23.0
133.10150	22.0
135.08047	5.9
135.11688	11.5
137.09627	23.4
141.06981	5.0
142.07790	15.0
143.08565	20.5
144.09364	4.6
145.09053	3.0
145.10127	32.1
147.08066	7.1
147.11732	9.1
149.09639	8.7
150.10359	2.6
151.11180	29.7
153.06923	2.5
155.08623	9.2
156.09392	9.3
157.10138	29.8
158.10938	3.5
159.08073	3.0
159.11697	17.4
161.09622	3.7
161.13300	4.0
163.11214	8.6
165.06961	5.0
166.07759	1.9
167.08517	4.6
168.09381	6.2
169.02631	10.8
169.10129	14.0
169.55112	1.8
170.10896	6.1
171.11697	19.8
172.29251	1.8
173.09639	4.6
173.13237	7.4
175.11273	4.0
175.14789	3.1
179.08542	6.9
180.09383	3.2
181.10143	8.1
182.10922	3.3
183.11723	14.2
185.13301	11.5
187.11142	3.1
187.14854	4.3
189.12766	6.9
191.14299	2.5
193.10130	6.1
194.10875	5.6
195.11703	8.6
197.13303	10.0
199.14871	3.3
201.12816	2.7
203.14299	5.5
205.10106	2.7
206.10976	3.7
207.11726	8.2
208.12383	3.0
209.13246	13.3
211.14818	6.2
213.12782	2.6
215.14275	5.6
220.12392	2.7
221.13277	5.5
223.14792	6.7
224.15631	2.1
225.16429	4.4
227.14319	2.2
231.11703	2.5
233.13284	2.7
235.14877	6.5
243.17366	2.0
243.21370	1.9
247.14862	2.2
249.16402	3.0
259.14453	1.8
263.17941	2.4
265.19366	2.6
267.17499	1.8
269.47992	1.6
291.21011	2.8
341.24869	3.1
401.28549	3.1
403.19006	4.2
405.20636	2.9
407.65283	1.9
417.20813	2.4
418.67236	1.9
433.18896	4.9
433.23849	20.8
433.30759	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	433.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28199	2.6
53.03936	5.6
55.05516	33.6
55.76355	2.5
57.03436	5.0
59.05003	56.4
62.66061	2.5
67.05505	19.0
69.03416	6.6
69.07058	12.3
71.05005	4.3
73.06563	3.2
79.05502	17.8
81.03378	3.6
81.07069	26.1
83.04996	4.4
83.08617	4.6
85.02926	5.3
85.06549	100.0
87.87164	3.0
89.52379	2.7
91.05481	44.6
93.07052	42.8
95.04971	7.6
95.08612	30.6
97.06525	4.5
99.08079	6.3
100.34175	2.6
105.06326	3.0
105.07030	47.3
107.08601	32.3
108.05727	2.7
109.06520	10.7
109.10173	18.9
111.08076	10.2
113.15971	2.7
115.05453	6.9
117.07015	16.9
119.08583	66.8
119.09380	5.5
121.06493	3.8
121.10156	33.6
123.08073	10.0
123.11688	4.7
125.09639	30.1
128.06258	4.9
129.06996	10.5
130.07907	3.4
131.08553	21.2
133.10146	26.7
135.08064	5.8
135.11682	12.6
137.09595	22.9
141.07024	4.2
142.07773	13.8
143.08577	24.9
144.09338	2.9
145.10135	39.2
147.08031	7.5
147.11681	12.0
149.09567	7.4
149.13255	6.4
151.11195	31.4
153.06982	4.9
155.08566	11.5
156.04861	2.8
156.09358	10.6
157.10139	31.1
159.11768	20.3
161.09647	4.4
161.13228	7.3
163.11206	6.3
165.07056	4.1
167.08582	4.5
168.09300	5.8
169.02580	5.4
169.10123	14.0
170.10867	3.6
171.11670	19.4
173.13248	12.0
175.11186	9.9
175.14752	5.4
179.08591	8.1
180.09344	4.6
181.10141	5.9
182.10884	3.8
183.11668	15.7
185.09488	3.0
185.13235	9.7
187.14835	7.2
189.12767	9.1
192.09201	2.8
193.10210	6.0
195.11716	10.4
196.12540	4.6
197.13280	11.2
201.12827	3.5
201.16487	4.1
203.14337	5.2
203.18147	3.6
205.10269	3.6
207.11777	6.6
209.13333	14.0
211.14874	8.0
213.12782	3.4
215.14339	6.8
215.17964	3.4
221.13383	7.6
223.14835	10.6
225.16408	6.1
235.14772	4.6
341.24667	3.3
343.47528	2.8
395.64645	2.9
415.28510	4.2
433.30020	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79566	5.4
53.03943	9.0
55.01868	11.4
55.05504	25.5
57.03433	14.1
67.05505	54.6
67.60285	6.1
69.03429	28.5
69.07066	32.9
70.06592	14.6
71.04999	71.6
71.50439	8.3
72.08149	19.2
73.02908	10.6
73.78432	5.5
79.05501	48.6
81.03423	19.5
81.07064	100.0
82.07402	8.4
83.04977	17.9
83.08617	9.1
84.08150	19.6
84.81590	5.1
85.02915	75.1
85.06552	9.7
85.07094	5.9
86.09701	9.6
90.26869	5.8
91.05484	40.7
93.06508	6.1
93.07053	74.8
95.04970	29.1
95.06046	7.0
95.08611	71.3
97.06526	21.6
97.51309	5.3
99.04447	15.3
105.07047	72.1
107.04952	8.6
107.08590	66.6
108.08887	7.5
109.06516	16.7
109.09592	5.5
109.10181	51.6
110.10444	5.8
111.04433	18.6
111.08076	8.6
113.05998	6.5
117.07023	16.2
119.08592	57.2
121.06499	13.9
121.10146	45.0
123.08050	9.9
123.11704	22.1
125.06036	7.3
125.09647	7.5
129.05466	13.7
129.07043	9.4
129.10281	6.7
131.08566	47.6
133.10149	31.0
133.94550	5.1
135.08055	13.0
135.11673	19.8
137.09636	6.5
139.07625	6.1
142.07787	9.4
143.08574	19.0
145.10161	40.3
147.07983	7.5
147.11679	27.2
149.09572	8.3
149.13260	27.1
151.11206	11.6
155.08537	10.8
155.82359	5.6
157.10150	30.1
158.10487	8.9
159.11731	39.8
160.12042	7.3
161.09668	6.9
161.13260	18.5
163.03877	8.8
163.14764	8.9
165.07021	5.9
167.17749	5.9
169.10130	15.2
171.11687	21.9
173.13252	23.5
175.14856	13.9
177.12805	9.9
177.16414	7.3
183.11737	13.5
185.13225	17.7
187.11267	8.1
187.14856	10.8
195.11766	7.5
197.13239	11.8
199.11024	6.2
199.14853	18.2
205.15791	7.0
207.11763	6.8
211.14937	8.2
213.16434	14.1
215.06926	9.2
217.15956	6.7
223.14844	6.8
225.16370	10.0
227.18031	6.7
229.19542	11.4
243.17482	6.9
253.19405	7.7
255.20966	12.1
259.09656	12.9
267.21051	9.2
269.22592	16.5
285.22311	7.1
293.22931	6.2
301.13330	12.0
311.23767	7.8
327.11273	15.4
353.25134	8.7
379.26169	14.0
381.35413	7.0
397.27087	13.7
415.28223	25.0
433.29666	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86100	5.3
53.03944	13.2
55.05519	32.1
57.07074	9.9
57.83515	5.0
59.04983	9.2
61.02934	8.7
62.76568	5.7
67.05518	35.4
69.03424	18.4
69.07079	36.0
69.99419	10.5
69.99809	13.3
70.06587	6.3
71.04993	20.0
72.08158	5.8
73.02925	34.1
79.05500	41.4
81.03412	11.1
81.07066	100.0
83.04963	8.1
83.08620	20.7
84.08138	6.7
85.02905	24.1
91.05482	31.7
93.07036	61.0
95.04997	14.2
95.08612	92.3
97.02901	6.9
97.06537	15.5
97.10175	11.0
98.20975	12.0
99.04464	10.3
102.07433	5.4
105.07044	79.0
105.77064	6.2
107.08606	65.3
109.02862	7.5
109.06535	14.3
109.10163	82.8
111.04440	7.0
117.07069	6.2
119.08586	69.0
121.06421	5.7
121.10162	60.4
123.08037	7.4
123.11703	28.3
125.09629	7.7
127.03925	14.5
127.11198	15.8
128.91589	5.2
131.08551	31.3
131.47035	5.1
133.08604	7.3
133.10168	47.2
135.08069	7.4
135.11708	51.0
137.09602	8.1
137.13283	11.2
143.08607	13.1
145.04944	6.1
145.10149	60.2
147.11684	42.7
149.13327	36.1
151.11151	5.8
153.12741	16.1
157.10181	19.8
159.11713	49.6
161.13261	31.8
163.14853	25.0
169.10170	6.4
171.11682	12.3
173.09543	5.7
173.13246	33.3
175.14848	23.8
177.16472	6.8
183.11674	13.1
187.14861	33.0
189.16437	12.7
193.12186	6.7
197.13271	10.9
199.14851	9.0
201.16464	18.6
203.17992	18.1
211.14845	9.6
213.16451	16.7
215.17935	16.3
217.19661	10.1
225.16283	9.9
227.17937	12.9
229.19504	12.9
243.21111	7.5
257.22705	28.5
267.21213	11.4
269.22702	14.3
271.24100	26.9
281.22742	7.0
287.23822	8.9
330.25763	5.6
339.19366	5.7
365.42178	6.5
375.81860	5.3
397.27499	9.2
415.28375	19.6
433.29663	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.6
54.05727	3.5
55.01868	4.9
55.05508	26.8
57.03443	7.9
57.07060	5.5
59.26904	4.4
61.02938	5.3
62.27698	3.6
65.03952	4.6
67.05512	42.3
69.03432	20.8
69.07085	25.9
71.01337	5.0
71.04987	5.3
72.08173	6.4
73.02921	28.2
79.05502	36.5
81.03400	13.3
81.07062	100.0
83.04989	4.9
83.08613	12.4
85.02911	29.7
86.09713	7.6
87.04468	7.1
91.05479	40.0
93.07051	78.9
95.04960	14.9
95.08615	85.7
97.02883	11.8
97.06529	6.6
97.10162	6.7
98.98442	4.3
99.04450	6.2
99.08095	5.2
103.03944	6.7
105.07035	58.8
106.07770	3.6
107.08603	79.5
109.02895	7.8
109.06514	9.1
109.10172	52.3
111.04393	5.6
111.08169	4.2
116.00966	3.5
117.06999	10.1
119.08595	60.3
121.06512	6.1
121.10156	50.3
123.08016	5.5
123.11720	23.5
125.05986	3.9
127.03929	6.9
129.05515	5.3
129.06985	8.4
131.08591	27.3
133.05008	5.7
133.10141	45.2
135.07942	5.0
135.11696	38.8
137.05992	4.6
137.13271	9.8
141.07042	4.0
142.07771	4.4
143.08562	18.6
144.09283	4.2
145.10124	42.5
147.08064	5.9
147.11684	32.9
149.09523	6.5
149.13254	34.4
155.08578	5.8
157.10161	21.5
159.11710	39.2
161.13304	27.3
163.14845	15.2
169.10147	7.1
171.11668	12.7
173.13252	30.7
175.14822	20.1
177.16382	8.2
183.11725	9.9
184.07376	9.1
185.13254	13.3
187.14830	16.8
189.16377	15.4
193.10201	4.3
197.13197	9.9
199.14845	12.4
199.25948	3.7
201.16348	17.2
203.17976	12.4
203.39291	3.7
207.11807	4.7
211.14896	8.3
213.16417	15.3
215.17891	18.9
217.19504	6.1
225.16362	8.2
227.17857	8.4
229.12927	4.2
229.15320	3.5
229.19563	7.0
243.21048	11.5
245.22714	8.0
255.20979	4.9
257.22650	15.2
269.22681	21.3
271.24219	17.1
281.22552	8.1
283.24033	8.2
293.07547	4.8
313.25372	6.7
379.26138	10.6
397.27377	14.0
415.28506	23.0
433.21460	5.1
433.29620	69.9
437.92194	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	433.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	5.4
55.01883	7.6
55.05520	26.5
55.88584	3.2
57.03439	13.6
57.07080	4.7
61.02926	12.0
67.05514	44.8
68.05824	4.1
69.03428	49.5
69.07073	36.0
70.28819	6.8
70.29214	8.6
71.05006	8.2
73.02931	15.5
74.19672	3.5
79.05501	24.2
81.03415	13.8
81.06590	6.0
81.07059	92.9
83.04990	15.0
83.08617	14.1
83.68842	3.5
85.02910	50.7
87.04483	9.6
89.90395	3.4
91.05474	36.1
93.07050	61.3
95.04987	13.7
95.08614	83.5
97.02905	26.8
97.06556	5.4
97.10166	7.9
99.04456	11.1
103.03939	9.9
105.07037	67.9
105.07699	5.9
107.08598	66.5
107.09301	5.9
109.02911	6.0
109.06533	7.6
109.10159	71.8
109.10851	5.9
111.04448	7.3
111.11726	5.3
115.03918	5.7
117.07034	13.4
119.08572	68.2
121.06559	4.8
121.10144	58.5
123.04408	4.2
123.08093	8.3
123.11725	23.2
127.03930	13.3
129.05544	6.5
129.06984	10.5
131.08591	30.7
133.10138	43.5
135.11688	36.2
137.13266	7.7
139.07515	5.3
142.07732	6.8
143.08574	18.2
145.04980	8.0
145.10150	38.2
147.08083	7.8
147.11705	43.9
149.09647	4.7
149.13283	28.6
151.07555	4.6
151.11311	3.9
155.08528	11.0
156.09386	6.1
157.10132	30.2
159.11699	53.3
161.13289	31.4
163.14815	15.2
169.10146	12.5
170.10919	4.3
171.11757	22.7
173.13251	29.3
175.11072	3.8
175.14847	18.1
177.16379	12.3
178.66362	3.9
183.11690	13.8
185.13235	16.5
187.14825	22.2
189.16454	16.5
195.11728	6.0
197.13261	9.6
199.14867	22.0
201.16412	18.2
203.17935	10.5
207.11839	3.8
209.13254	6.8
211.14859	10.6
213.16356	19.9
215.18004	15.7
217.19562	7.6
225.16432	12.4
227.18001	9.9
229.19522	8.2
239.17924	7.5
241.19554	6.5
243.21117	14.7
245.22740	8.6
253.19530	6.6
255.21104	13.9
257.22629	19.6
269.22705	36.8
271.21576	3.9
271.24161	21.4
281.22729	10.3
283.24231	17.5
295.24313	7.6
299.23758	4.0
307.24286	5.2
313.25259	7.7
355.26291	5.6
367.26453	4.1
379.26135	4.0
397.27295	13.0
415.28485	29.3
433.29587	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.6
55.01874	8.3
55.05530	20.6
57.03420	7.6
57.07077	4.3
58.25435	3.3
59.05014	4.8
61.02913	8.0
61.61196	3.5
67.05514	29.9
69.03439	30.8
69.07080	28.0
70.69501	10.2
71.05009	20.8
73.02930	6.3
79.05515	21.4
81.03436	12.7
81.07066	74.5
83.04988	11.2
83.08615	12.5
85.02917	28.0
87.04471	7.7
91.05504	26.6
93.07052	46.0
95.04985	10.9
95.08616	57.9
97.02902	16.2
97.06518	4.8
97.10154	6.4
97.49094	4.7
99.04461	7.0
99.08112	5.2
103.03912	6.0
105.07030	57.3
107.08607	64.9
109.06531	9.8
109.10163	46.7
111.04450	7.5
111.11701	4.3
115.03938	7.6
117.07020	7.5
119.08587	58.6
121.06532	7.0
121.10168	45.9
123.08041	7.8
123.11742	21.4
125.09608	8.6
127.03907	8.6
127.11185	15.2
129.07001	9.5
131.08600	32.5
133.10155	36.6
135.08049	5.3
135.11720	25.6
137.09618	12.8
137.13289	5.4
142.07771	8.4
143.08589	24.5
143.10672	9.3
144.09346	4.4
145.10146	37.7
147.08076	5.0
147.11694	34.0
149.09636	5.6
149.13266	15.5
151.11180	7.3
153.12849	5.4
155.08620	10.8
156.09323	5.0
157.10110	29.2
159.08061	5.4
159.11708	47.1
161.09625	5.2
161.13309	20.1
162.87129	3.9
163.11209	4.3
163.14838	18.8
169.10112	17.3
171.11703	23.1
173.13306	29.1
175.11244	6.1
175.14842	14.3
177.16411	7.4
181.10161	12.2
183.11736	12.3
185.13264	13.9
186.40558	4.3
187.14841	19.4
189.16406	15.0
191.14328	4.2
195.11742	6.6
197.13315	16.7
199.14848	16.7
201.16383	21.9
203.17921	4.7
207.11841	5.5
209.13368	9.9
211.14857	13.8
213.16428	23.1
215.17943	18.1
223.14867	6.0
225.16374	9.5
227.17975	15.0
229.19368	5.0
237.16631	4.3
239.17953	7.6
241.19525	10.4
243.21078	6.5
269.22583	11.4
271.24249	15.7
281.22696	9.2
283.24045	7.4
287.23853	4.9
299.23712	12.0
303.64893	4.8
309.62900	4.1
313.25284	6.5
329.21240	9.8
337.25360	4.6
370.20471	4.4
372.85693	5.1
379.26199	13.1
397.27444	20.3
415.28485	42.6
433.29541	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.6
53.48455	4.5
55.01877	10.1
55.05500	25.4
57.03431	11.4
57.07084	9.8
59.00271	4.8
61.02925	7.1
67.05507	42.4
69.03432	24.6
69.07079	40.3
69.32416	16.8
69.32833	27.5
73.02931	4.9
79.05500	40.7
81.03431	13.0
81.07063	90.3
83.04983	5.8
83.08618	17.1
84.73968	4.7
85.02917	52.2
91.05473	32.7
92.12341	4.6
93.07053	70.8
95.04986	11.2
95.08619	100.0
97.02901	11.5
97.06525	9.7
97.10154	12.3
99.04461	6.0
103.03938	15.4
105.07034	63.5
107.05022	4.6
107.08598	55.8
109.06533	9.9
109.09451	7.4
109.10168	60.2
111.04433	6.7
111.11724	6.3
113.00034	68.1
117.07047	14.7
119.08586	78.9
121.06507	6.5
121.10148	48.6
123.08107	8.2
123.11700	35.0
127.03926	10.8
129.07048	7.6
131.08563	31.8
133.10152	45.2
135.08026	7.5
135.11685	36.9
137.13304	7.7
143.08566	24.6
145.10130	46.2
147.11676	42.2
149.13239	32.1
155.08559	9.5
156.09384	6.1
157.10179	32.9
159.11703	44.4
161.09622	8.4
161.13297	41.8
163.14838	18.7
169.02640	54.2
169.10204	13.8
171.11757	25.9
173.09738	5.0
173.13297	33.3
175.14902	26.5
177.16403	13.6
181.10194	5.6
183.11761	12.3
185.13264	18.3
187.14871	18.3
189.16344	25.3
195.11723	6.1
199.14835	20.9
201.16429	17.7
203.18007	10.1
211.14899	6.9
213.16351	23.0
215.09175	5.2
215.17993	23.2
217.19608	6.2
223.14809	5.4
225.16451	10.1
227.18013	8.1
229.19640	6.1
243.21182	20.8
245.22662	13.6
253.36844	5.0
257.22559	11.3
267.21332	6.5
269.22650	28.7
271.24265	18.5
281.22708	6.6
283.24252	14.2
295.24149	6.7
311.23660	5.8
313.25345	8.6
379.26102	7.8
388.85376	4.9
397.27429	14.9
415.07959	4.9
415.28241	29.1
433.29663	82.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.01870	4.2
55.05517	18.8
57.03434	7.5
57.07079	4.7
57.47889	2.5
61.02927	4.3
67.05516	24.4
68.08917	2.9
69.03428	9.2
69.07071	23.0
71.05983	5.7
73.02930	4.3
79.05496	16.7
81.03425	6.8
81.07069	48.3
83.04980	2.9
83.08627	7.4
83.40985	2.6
85.02917	22.7
91.05490	17.8
93.07050	30.9
95.04980	6.4
95.08619	55.4
97.02924	4.2
97.06530	2.7
97.10184	6.0
99.04465	3.9
103.03935	6.4
105.07046	29.5
107.08605	42.6
109.06520	6.3
109.10165	28.1
111.04440	6.9
111.11715	3.8
113.00034	100.0
117.07018	6.8
119.08598	32.3
121.10136	23.9
123.08115	4.0
123.11703	17.8
123.71257	2.8
129.07047	4.8
131.08592	16.3
133.10147	22.8
135.11684	17.9
137.13295	5.3
143.08560	8.4
145.10133	26.9
147.11707	19.3
148.45142	3.4
149.13313	21.9
155.08646	5.4
157.10103	15.8
159.11716	20.9
161.09663	4.2
161.13287	16.7
163.14873	9.2
169.02628	78.4
169.10155	6.1
170.10936	2.7
171.11711	11.2
173.13289	20.5
175.14801	14.4
177.16438	5.8
183.11707	8.9
185.13228	6.6
187.11171	3.7
187.14850	12.4
189.16409	7.8
197.13277	4.7
199.14865	6.0
201.16348	7.8
203.18045	5.0
211.14896	4.9
213.16434	11.5
215.17999	9.8
217.19566	4.2
225.16304	3.7
227.17949	3.3
229.19568	5.7
230.18327	2.7
237.16351	2.7
239.17841	4.7
243.21165	9.6
245.22731	8.1
250.00568	2.7
255.21254	4.7
257.22711	6.6
269.22626	18.7
271.24249	9.1
281.22556	3.4
283.24252	6.9
295.24100	4.2
304.49255	3.2
358.21460	3.2
379.25974	4.1
397.27316	10.9
415.28821	13.9
433.29593	38.1
433.38156	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	433.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.6
55.01873	1.8
55.05511	12.6
57.03426	3.6
57.07063	3.3
65.03954	1.6
67.05509	18.6
69.03436	10.9
69.07073	9.4
69.43338	2.8
69.43736	8.5
69.98910	1.2
71.08639	1.2
72.08130	1.2
79.05492	16.5
81.03419	5.3
81.07060	29.8
83.04967	2.1
83.08620	4.1
86.09701	3.0
91.05478	14.1
93.07050	22.9
95.04977	6.9
95.08613	20.5
97.06526	4.7
97.10160	1.6
98.98494	1.7
103.05468	1.6
105.07034	16.8
107.04948	3.7
107.08595	18.8
107.55484	1.1
109.02874	3.0
109.06519	10.1
109.10179	14.9
111.08109	8.3
113.77518	1.2
115.05448	2.3
117.07021	6.2
119.04952	1.6
119.08578	11.9
121.06515	12.8
121.10164	16.1
123.08037	6.7
123.11723	17.9
125.00048	1.8
125.06007	3.8
125.09638	8.8
127.03940	3.0
128.06187	5.8
129.06998	4.4
131.04919	1.7
131.08589	10.9
133.06499	2.8
133.10152	11.1
135.08069	8.6
135.11700	9.3
137.09615	3.8
137.13251	3.9
139.07553	11.8
139.11214	6.7
141.07057	3.1
142.07785	3.1
143.08568	17.4
144.09296	1.9
145.06485	4.6
145.10124	9.5
147.04431	2.4
147.08052	12.4
147.11688	5.6
149.09605	4.9
149.13281	4.1
151.11211	6.9
152.06158	1.8
153.06981	4.3
153.09108	2.2
153.12758	2.5
154.07751	2.3
155.08537	9.1
156.09357	1.9
157.06491	2.4
157.10136	10.1
158.07260	2.7
159.08067	13.5
159.11693	8.5
161.09592	5.9
161.13245	2.9
163.11192	2.7
163.14822	2.7
165.07016	4.5
165.09077	2.7
165.12738	1.9
167.08560	5.1
167.10750	3.4
168.09427	2.0
169.10164	11.8
169.12300	3.3
170.07239	1.5
171.08057	80.0
171.11661	9.9
173.09662	12.3
173.13232	5.7
175.11188	3.1
175.14850	2.6
177.12813	3.5
177.16397	2.3
178.07814	4.8
179.08548	9.4
179.14284	1.4
180.09270	2.9
181.06534	3.5
181.10059	6.8
182.07315	3.2
183.08110	5.0
183.11711	12.8
184.07410	5.9
185.09599	9.6
185.13242	6.1
187.07541	1.6
187.11215	5.4
187.14822	3.0
189.12788	4.5
191.14293	2.9
192.09276	1.9
193.10110	11.3
194.07304	2.1
194.10948	4.6
195.08052	6.8
195.11679	9.0
196.08849	5.6
197.09627	32.6
197.13272	5.2
199.11192	5.6
199.14914	2.3
202.07941	1.9
203.08633	1.5
203.14255	1.4
204.09282	1.6
205.10092	6.8
205.15895	2.6
206.10851	1.9
207.08119	2.8
207.11725	5.7
208.08810	11.7
208.12605	1.3
209.09625	15.0
209.13275	4.9
210.10405	2.3
211.11198	40.9
211.14760	2.7
213.12764	5.6
213.16412	2.1
215.17944	1.5
217.10155	2.9
218.10944	2.3
219.08168	1.8
219.11674	3.8
220.08867	1.8
221.09619	22.0
221.13240	5.4
222.10396	5.5
223.11197	33.7
223.14688	2.6
224.11929	2.2
225.12743	7.0
225.16261	1.7
227.14317	2.8
229.10179	2.8
229.15962	1.7
230.10905	1.9
231.08064	2.5
231.11696	2.5
232.12474	3.5
233.09666	2.7
233.13350	3.6
233.15475	1.7
234.10484	3.1
234.13849	1.5
235.11176	9.4
235.14833	5.2
236.11942	3.2
237.12761	20.4
237.16377	2.5
239.10629	2.6
239.14368	3.7
241.15924	2.3
243.11690	1.7
243.17322	1.3
245.13300	3.4
246.10400	7.1
247.11176	6.1
247.14894	3.6
248.11966	3.0
249.12802	9.1
251.14334	11.2
253.15889	3.3
259.11356	1.8
259.14755	2.3
260.11942	1.8
261.12726	16.0
262.13562	3.7
263.14294	15.2
264.15076	3.8
265.15878	25.3
267.17471	5.4
271.14548	1.5
273.16422	2.4
274.13525	2.3
275.14252	3.8
276.15134	3.9
277.15997	9.0
279.13788	20.7
279.17160	1.7
281.15356	4.5
281.18958	1.6
285.12949	1.9
289.15579	2.8
289.18350	2.2
291.17450	36.1
293.15689	1.7
293.19080	4.0
295.20520	3.1
295.72122	1.3
303.17374	3.0
305.19092	4.0
306.19659	3.0
307.17020	3.3
307.20599	2.1
309.18677	6.8
317.19000	3.3
330.23380	1.6
333.18570	3.0
345.18570	1.6
357.22070	2.1
359.23663	1.9
369.25903	1.6
387.26984	8.8
397.25363	6.7
405.27835	1.9
415.20950	2.9
415.26321	29.3
417.63379	1.2
433.27393	100.0
434.27463	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	433.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52588	3.7
55.05507	15.6
57.03436	3.8
57.07080	4.2
62.44392	3.6
65.03915	4.5
67.05508	46.6
69.03441	7.1
69.07078	11.5
70.06567	4.2
71.07381	4.1
71.50683	5.8
79.05501	24.8
81.03412	10.8
81.07065	59.1
83.04975	7.4
83.08607	13.7
85.02895	4.1
86.09726	25.0
91.05492	32.1
93.07050	33.0
95.04996	10.0
95.08612	46.5
97.06538	5.9
97.10181	10.9
98.98499	4.9
104.10784	5.8
105.07088	20.5
107.04969	7.0
107.08615	19.1
109.02910	6.7
109.06506	9.9
109.10151	22.7
119.04940	27.2
119.08595	17.3
121.06554	6.5
121.10160	20.2
123.08099	5.1
123.11710	13.4
125.00021	12.3
125.06012	7.4
127.03980	5.1
129.07106	5.5
131.08604	10.5
133.10149	18.9
135.08128	9.6
135.11694	13.5
136.06207	32.5
137.09592	4.7
139.03928	9.9
141.07048	5.2
143.08577	5.8
145.06538	5.2
145.10152	13.4
147.04416	100.0
147.11708	5.7
149.09612	7.4
149.13310	8.0
151.07607	5.3
153.05388	4.5
157.10077	6.1
159.11642	6.9
163.11220	5.7
165.05473	22.0
171.11740	4.0
181.86305	4.1
183.11623	4.0
184.07344	52.2
185.07732	3.9
201.08893	4.3
211.11273	4.1
215.17993	9.6
233.19037	8.6
251.20117	19.7
341.21133	10.3
415.25012	6.0
415.32098	25.5
433.27252	11.2
433.33264	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	433.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.2
55.05516	5.0
57.03430	2.8
57.07081	0.8
59.23660	1.0
62.01421	0.8
65.03938	2.5
67.05509	27.5
69.03454	0.8
69.07080	6.0
69.07412	1.0
71.04999	1.0
71.51260	1.1
79.05493	7.2
81.07060	29.8
83.04961	1.0
83.08617	5.3
85.02914	1.5
91.05485	17.2
93.07057	10.4
94.05573	0.7
95.08612	30.1
97.06524	1.5
97.10179	2.7
105.07018	3.5
107.05014	0.9
107.08595	6.0
109.10162	17.6
111.08109	1.7
113.00028	39.3
119.04950	29.4
119.08577	5.5
121.10139	8.6
123.11716	8.3
131.08572	2.3
133.10133	9.4
135.11699	8.4
137.09621	3.3
137.13257	2.3
143.08603	0.9
145.10176	2.6
147.04419	100.0
147.11723	2.0
148.04660	1.4
149.13264	2.5
151.11194	3.7
153.98155	1.0
157.10112	0.9
159.11697	2.3
161.13202	1.0
165.05489	22.0
165.12685	1.3
169.02631	36.1
169.12254	1.1
173.13264	1.3
181.12323	0.9
187.14897	0.9
191.17992	1.0
195.13773	2.1
209.15680	0.8
215.17970	10.1
223.38913	0.8
233.18994	5.0
251.20073	12.9
264.54434	0.8
409.10498	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.0
55.01878	1.7
55.05503	3.1
57.03437	0.9
59.71254	0.8
63.54729	0.9
65.03941	1.3
67.05515	8.2
67.26425	0.8
69.03436	5.4
69.07060	2.2
69.34196	6.9
70.06594	1.3
71.04980	1.9
79.05490	6.4
81.03430	1.0
81.07066	9.1
83.04971	2.7
83.08620	2.0
84.08150	1.5
85.02888	2.3
91.05480	8.5
93.07045	6.7
95.04985	4.5
95.08613	10.3
95.56306	0.9
97.06536	3.1
98.20792	1.8
105.07050	12.7
107.04939	1.6
107.08614	9.9
109.06534	3.9
109.10184	3.9
111.04410	1.5
111.08110	1.1
115.05467	1.2
117.07021	3.2
119.04934	1.3
119.08610	7.9
121.06524	8.0
121.10150	3.9
123.04431	1.0
123.08058	3.1
123.11682	0.9
125.05968	1.8
125.09635	2.0
127.07542	1.3
128.06232	2.9
129.06998	2.7
131.08554	6.3
133.06482	2.2
133.10170	4.3
135.08044	5.4
135.11655	1.4
137.09636	1.2
139.03963	1.1
139.07553	1.9
141.05470	2.2
141.06978	1.4
142.07774	2.4
143.08574	5.9
145.06458	2.4
145.10144	5.3
147.04428	1.1
147.08040	1.8
147.11690	5.4
149.05916	1.6
149.09669	2.3
151.07553	2.1
153.09119	2.3
155.08565	3.8
157.10123	2.4
159.08075	2.7
159.11713	3.4
161.09663	1.6
163.11113	1.2
165.06987	2.6
166.07761	1.6
167.07117	1.5
167.08568	2.6
168.09331	0.9
169.08774	1.4
169.10039	4.1
171.08070	24.0
171.10281	1.0
171.11708	2.2
173.09654	2.3
175.11180	1.7
177.09135	1.9
178.07735	1.1
179.08578	7.0
180.09337	2.3
181.06549	1.5
181.10121	2.7
182.07298	2.0
183.08147	1.3
183.11743	1.9
185.09618	3.2
187.11221	1.5
191.08611	1.7
192.09320	1.6
193.10185	6.8
194.07295	1.2
194.10944	9.2
195.08110	4.9
195.11696	3.2
196.08798	2.5
197.09654	14.3
199.11255	1.5
202.07715	1.0
203.08568	2.0
205.10149	6.4
205.11922	1.2
206.10867	2.6
207.08231	0.9
207.11737	5.2
208.08827	4.6
209.09671	5.6
209.13351	1.2
210.10367	1.7
211.11188	8.2
211.14838	1.1
213.12788	1.4
215.08604	3.4
216.09332	1.8
217.10326	1.0
218.10950	2.0
219.08153	2.0
219.11745	5.2
219.13585	0.9
220.08966	2.1
220.12523	3.1
221.09647	7.9
221.13257	1.8
222.10417	5.4
223.11255	8.7
223.14815	1.0
225.12788	2.8
227.14391	1.0
229.10164	2.1
230.10872	6.4
231.08142	1.2
231.11705	3.7
232.08731	2.3
233.09630	6.4
233.13255	2.2
234.10382	6.2
235.11214	19.5
235.14743	6.9
237.12735	7.0
239.14398	2.1
243.11751	1.7
245.09601	2.3
245.13277	7.7
246.10480	3.9
247.11214	6.1
247.14899	1.8
248.12012	12.5
249.12772	7.9
251.14395	1.8
253.12407	2.0
256.12540	1.1
259.11200	2.5
260.11996	2.0
261.12744	5.0
261.16486	1.1
262.13568	2.7
263.14346	100.0
264.14780	4.3
265.15994	5.0
271.14722	1.5
273.12750	1.4
274.13602	3.1
275.14362	2.7
277.16006	3.0
286.13559	1.1
287.14343	2.9
288.15054	1.5
289.15900	9.5
291.17548	2.3
293.18973	1.6
295.14725	1.9
299.14438	1.7
301.15604	1.2
302.16638	1.1
303.17535	1.3
304.18134	1.8
307.16858	2.0
327.17447	1.2
341.18884	1.3
365.21161	1.5
369.22253	5.1
379.20697	2.0
387.23230	4.1
397.21692	10.8
405.24216	1.6
415.22775	15.0
433.23770	29.3
433.29208	2.2
434.24115	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.5
55.05518	11.6
57.03425	6.7
57.07072	2.8
65.03914	1.8
67.05511	46.5
69.07069	9.6
71.05015	2.1
71.08617	2.3
71.51548	1.9
75.04491	2.4
79.05506	26.5
81.03400	2.1
81.06589	2.9
81.07063	51.6
83.04992	2.0
83.08618	8.6
85.02884	2.0
85.06532	1.8
86.09715	3.0
89.52584	1.5
91.05496	16.2
93.06496	2.4
93.07051	43.9
95.04982	3.5
95.08617	38.6
97.06528	1.5
97.10146	3.4
98.98476	100.0
99.04482	1.7
99.08093	2.3
105.07061	16.9
107.08605	30.7
109.06522	3.3
109.10180	18.2
117.07032	6.3
119.08586	16.9
121.10156	25.8
123.11697	7.2
124.99970	2.6
131.08574	13.5
133.10155	12.6
135.08052	1.9
135.11725	18.6
136.06169	3.8
137.13206	4.0
142.18254	1.9
143.08575	2.2
145.10149	11.5
147.11723	9.2
149.13261	13.1
155.01033	17.0
157.10210	2.2
159.11711	12.6
161.13327	7.6
163.14839	10.3
173.02122	17.8
173.13292	8.7
175.14839	4.8
177.16394	2.6
184.07375	7.2
187.14844	5.9
233.22693	4.6
243.21098	20.9
261.22165	63.8
262.22382	2.5
292.74106	1.7
317.24814	7.9
335.25873	46.1
409.73322	1.8
415.22314	4.2
433.29105	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2356
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
51.83878	2.4
55.05516	12.1
57.03436	9.5
57.07079	4.7
63.35744	2.3
64.69762	2.3
67.05194	3.4
67.05517	63.0
69.07072	12.8
71.04971	3.0
79.05086	2.5
79.05506	37.9
81.07067	68.2
83.08616	6.2
91.05493	21.8
93.07054	49.7
95.04990	5.2
95.08617	53.1
97.06516	2.9
98.21539	7.4
98.98479	93.4
99.08100	2.8
105.07034	14.9
107.08617	25.1
109.10166	26.2
117.07040	6.8
119.08596	15.4
121.10169	24.7
123.11725	8.3
131.08624	12.5
133.10144	10.3
135.11707	17.5
136.06219	4.3
137.13268	6.0
145.10094	12.3
147.11697	9.2
149.13295	14.8
155.01062	9.1
159.11711	6.8
161.13255	6.9
163.14833	7.7
167.63092	2.3
169.98148	3.0
173.02168	14.2
173.13290	9.8
175.14877	3.9
177.16422	3.7
184.07349	8.2
187.14787	4.6
243.21062	12.7
261.22211	49.0
269.31540	2.5
279.23282	3.9
298.19687	3.0
309.31824	3.0
317.24829	8.6
335.25830	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.05511	8.6
56.05043	3.1
57.05818	0.8
58.06610	0.7
60.04528	13.5
60.04825	1.1
69.07066	5.4
69.99475	2.5
70.02953	1.8
70.06593	3.9
72.08158	100.0
73.02908	0.5
73.08489	2.2
74.06083	4.3
82.06602	0.5
84.04507	5.0
84.08147	25.6
85.08474	1.0
86.09709	69.5
87.05582	3.4
87.10035	1.6
88.03964	2.7
91.05482	1.2
92.51740	0.5
96.08132	1.4
98.09724	0.7
100.07612	0.9
101.07133	1.3
102.05575	0.9
106.05011	0.7
110.07159	0.8
110.09663	0.8
112.03961	0.8
112.07513	0.6
112.11256	0.9
114.09165	3.4
115.05010	1.4
115.08662	0.5
116.03443	0.6
120.08157	0.6
123.04422	1.4
124.07586	1.0
125.10683	0.7
127.08681	1.3
127.84518	0.5
128.10774	0.7
129.10245	13.2
130.05006	3.0
130.08597	0.8
130.10512	1.2
132.10210	6.3
134.04477	0.7
136.07578	0.7
139.08662	0.8
140.07083	1.2
141.10229	1.4
142.08597	1.0
143.11777	0.6
145.09665	1.8
147.07614	1.0
155.11765	1.5
156.07712	0.5
156.10065	0.5
156.12169	0.6
157.06035	0.6
159.11295	19.0
163.03859	0.8
169.09677	3.6
173.09196	1.6
173.12865	9.8
175.07126	2.2
183.11276	4.6
185.63004	0.5
187.10797	13.5
187.14430	1.0
190.12213	0.8
197.12793	1.3
200.13843	1.5
201.10547	0.9
201.12375	12.5
201.14211	1.6
203.06592	2.0
203.10329	0.6
203.13904	1.1
205.97285	0.5
207.14833	1.7
213.08597	0.7
215.10283	5.4
215.13646	0.7
216.52924	0.5
219.13414	12.7
221.32130	0.7
222.11243	1.0
228.13403	0.6
229.11823	1.0
233.11340	13.2
243.13258	0.8
247.12886	3.6
258.10733	0.5
270.14490	1.1
282.18091	6.4
284.12320	0.6
300.18933	0.6
302.13455	2.7
316.14841	2.0
320.14493	2.7
334.15918	1.1
369.21106	0.9
415.21692	1.6
433.22739	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	433.2299
Annotation	Asp-Leu-Val-Ser
Peak:m/z	Relative Intensity
53.30227	0.4
55.05512	4.4
56.05037	0.7
57.05815	0.7
58.06604	0.4
65.97000	0.4
67.19373	0.4
69.07070	7.2
70.02976	0.6
70.06597	0.7
71.50935	0.4
72.08161	37.1
74.06093	0.5
82.47868	0.4
84.04506	0.9
84.08141	0.6
86.09712	100.0
87.10043	0.9
88.03984	1.8
96.08163	0.5
98.02425	0.8
98.09698	0.6
102.05569	0.6
106.05042	0.6
116.03449	0.5
124.07630	0.9
132.10286	0.5
141.10222	1.6
142.08662	1.2
143.11832	0.7
156.10252	2.1
169.09705	4.4
187.10786	6.1
201.12346	9.6
215.10304	10.5
217.08203	0.6
219.13420	12.9
229.11839	3.4
242.29762	0.4
244.33588	0.4
282.18207	0.9
284.12555	0.5
300.19397	0.9
316.15131	0.8
328.18884	1.8
334.16223	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	1.1
55.01873	3.5
55.05513	4.6
56.05039	2.2
57.03444	6.9
61.02929	2.0
63.84556	0.8
66.23491	1.1
67.05513	29.0
69.03434	5.6
69.07073	2.5
70.06606	10.0
71.01362	11.3
71.04972	1.6
71.07888	2.1
72.08163	10.3
73.02924	18.4
75.04488	1.3
79.01871	1.5
79.05499	3.3
80.35542	0.9
81.03436	2.6
81.07063	18.3
81.51465	0.8
83.01329	2.3
83.05015	1.7
84.04498	1.4
84.08146	8.4
85.02911	30.3
86.09709	10.7
91.05483	2.2
93.07052	4.7
95.01344	3.8
95.04956	5.4
95.08620	8.5
97.02894	10.0
97.06554	1.2
99.00820	3.5
99.04470	1.8
99.08067	1.7
100.04758	1.1
101.02402	5.2
103.03938	2.4
104.05344	1.4
105.07034	1.2
107.04974	1.3
107.08611	2.9
109.02856	2.0
109.06516	2.5
109.10167	54.1
111.08108	1.6
112.08763	1.0
113.02381	15.1
116.07117	2.6
116.97285	1.0
119.04929	2.7
119.08578	4.7
120.08117	6.0
121.02852	7.9
121.06522	1.8
121.10171	1.0
123.00860	1.2
123.04445	0.9
125.06042	2.1
127.03868	1.0
129.10249	2.9
131.03441	3.5
133.10152	1.1
136.07616	1.7
137.09625	100.0
138.10008	1.1
141.01837	8.4
145.02888	2.7
145.04991	1.4
149.02399	1.4
155.03337	0.9
155.10669	6.3
159.02904	3.4
159.06549	1.4
159.09259	1.0
163.03978	2.2
165.01837	7.4
165.09128	82.8
167.03470	1.6
169.04974	1.9
169.12248	1.9
171.68089	1.0
175.11186	1.2
177.01872	1.0
179.03380	1.1
183.02899	1.1
183.10173	4.0
189.12375	1.9
197.04482	1.8
201.11217	5.4
211.13347	1.5
213.05432	1.7
215.05585	2.8
217.13797	2.0
227.07001	1.3
232.26364	1.0
235.13350	1.9
239.12827	7.6
245.13159	1.1
253.14410	1.7
255.06517	2.6
256.07306	2.9
257.13867	20.4
259.05887	1.1
267.06464	3.3
270.05215	1.9
271.06091	4.9
281.08163	2.7
281.14001	1.6
283.06024	58.0
284.06787	16.1
285.07486	2.0
295.06082	9.0
297.07437	6.1
299.14935	1.9
304.16425	1.0
307.05978	1.2
308.06784	3.3
309.07559	9.2
311.05359	1.4
313.07092	49.3
321.07764	1.2
323.05502	1.6
323.09158	10.6
325.07175	1.1
337.07065	19.3
343.08133	2.0
349.07010	4.9
351.08658	2.5
351.14105	1.1
361.07269	4.9
367.08197	11.4
379.08170	9.4
379.13129	1.8
397.09274	16.2
397.14319	1.3
415.10254	17.0
433.11310	19.2
433.16992	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	432.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.3
59.05006	2.8
69.03442	2.4
69.07079	1.2
70.06604	3.0
71.04990	2.3
71.22424	1.4
72.08159	2.4
79.05494	2.2
81.03432	1.1
81.07069	2.4
83.08630	1.0
84.08164	1.5
85.02914	5.1
85.34100	0.9
86.09713	2.0
91.05493	9.7
93.07047	2.6
95.08620	1.9
97.02929	1.3
99.08119	3.0
100.11240	1.7
103.05501	1.4
105.07025	10.0
107.08629	2.4
109.10172	1.2
116.06247	1.7
117.07032	2.2
119.08592	43.8
121.10164	1.6
125.09521	0.9
127.07540	1.2
129.07007	1.7
131.08578	20.5
133.06543	1.6
133.10146	100.0
134.10478	1.8
143.08594	1.6
145.10121	8.0
147.11679	2.4
149.13272	1.0
157.10138	6.0
159.11728	6.4
161.09630	1.7
161.13275	2.9
163.03969	1.1
173.13321	2.2
177.12810	1.2
187.14890	2.7
189.16298	1.2
191.14378	1.0
199.14854	13.0
205.15997	2.9
208.94798	0.9
216.12340	1.1
217.15900	41.4
218.16315	1.0
235.16942	17.9
235.19067	1.6
273.14420	1.0
304.02322	0.9
318.19357	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1133
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
67.01848	0.5
68.82471	0.1
68.99812	0.3
69.03448	0.1
70.06593	0.6
70.62206	0.1
70.62554	0.3
72.08139	0.4
81.03434	0.1
81.07025	0.1
82.01600	0.1
84.04510	0.2
84.08156	0.3
85.02919	0.1
86.09719	0.7
87.68515	0.1
91.05489	0.7
93.07035	0.1
95.08642	0.1
97.02901	0.1
111.00809	0.2
119.04939	1.8
120.08099	0.2
121.02887	0.7
129.01814	0.1
129.10310	0.1
145.02832	0.6
153.01834	5.3
163.03891	0.4
171.02899	0.3
187.03947	0.2
225.05414	0.3
229.04987	0.3
243.06528	0.5
247.06117	0.1
266.67886	0.1
271.06012	100.0
272.06381	2.0
294.94788	0.1
312.19720	0.1
433.11310	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
55.05517	8.2
56.05035	2.4
57.05824	0.8
58.06603	0.9
60.04530	1.2
68.41764	0.5
69.03436	0.5
69.07075	0.7
70.02972	0.5
70.06591	4.1
71.49058	0.9
72.08161	100.0
73.08493	1.2
74.02441	1.5
74.06089	5.0
74.46804	0.5
78.34428	0.5
83.06104	0.8
84.04513	4.5
84.08153	5.1
85.02935	0.6
86.09713	14.3
87.05606	4.7
87.10052	1.0
88.04008	1.6
97.02918	0.7
99.05613	0.9
101.07136	3.3
102.05544	1.0
108.08195	0.5
110.07185	2.3
110.09698	0.8
111.09224	0.7
112.03999	1.3
112.07639	0.6
112.08736	1.2
113.07182	0.8
115.05074	0.6
116.03477	1.2
116.07056	0.6
117.10284	1.0
123.08183	0.5
126.06676	0.7
127.08601	0.7
128.10716	7.8
129.06587	0.5
129.10272	2.9
130.04999	2.8
130.08713	0.6
132.10184	0.6
133.06094	20.6
134.04538	0.7
136.07628	1.6
138.09186	2.2
141.06622	0.7
143.11792	0.8
147.04463	0.7
147.07648	4.2
155.11833	1.9
158.09319	0.9
159.11368	1.5
173.12877	16.0
181.55420	0.5
183.11322	13.7
186.08788	0.8
187.10811	1.1
200.14018	1.2
201.12378	11.3
211.10916	0.6
215.10335	4.3
220.09360	0.7
228.13560	1.8
230.07690	0.6
232.12936	22.1
237.16016	1.5
246.14610	1.6
247.12885	0.9
254.18695	0.7
262.22934	0.5
267.10748	0.6
268.16321	0.5
282.18146	11.8
282.21185	0.6
299.17120	0.8
316.15268	0.5
333.17703	2.5
432.25018	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	432.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.05513	2.0
56.05030	2.3
57.03425	1.3
59.05006	72.8
60.04535	3.8
61.02927	1.3
64.37663	0.7
66.11208	0.7
69.03426	3.5
69.07054	1.9
70.06599	10.0
71.04997	1.2
71.06942	0.9
71.49467	1.3
72.08162	18.2
73.02917	0.8
73.08498	2.4
74.06070	0.8
81.03441	1.5
83.04996	0.9
84.04510	3.6
84.08150	16.9
84.76398	0.7
85.02906	9.5
86.09711	22.4
87.04454	1.2
87.05584	1.5
87.10054	3.6
89.06036	48.4
89.10836	1.3
95.06112	0.9
97.02896	2.8
97.42551	0.7
98.06068	1.4
101.07146	0.9
102.05537	1.3
103.07589	63.7
109.02912	1.1
110.07169	1.7
112.07585	0.9
112.08770	1.0
114.09185	1.1
115.08748	0.9
116.07112	1.3
119.04927	1.1
120.08115	3.0
127.03918	2.8
129.10249	7.1
130.08719	1.3
132.10231	1.6
133.08609	26.7
136.07559	1.5
138.09148	1.2
138.24771	0.9
147.10181	19.2
147.11284	1.2
157.13354	1.1
159.09126	1.3
159.11295	4.2
165.11339	1.7
177.11278	7.0
187.10712	0.9
199.18060	1.0
200.18344	1.2
201.12241	1.2
202.08389	1.1
204.13416	1.5
209.13855	1.8
216.09946	1.0
244.13422	0.9
246.14751	1.2
253.16478	100.0
254.16727	2.0
270.13376	1.8
272.34207	0.8
272.95065	0.9
375.64407	1.1
432.19479	1.3
432.25073	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	431.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.5
55.01861	4.0
55.05500	12.8
57.03430	6.5
57.07070	3.2
58.26079	3.7
61.02923	7.3
62.52545	2.9
67.05511	24.7
69.03127	2.9
69.03435	28.0
69.07072	20.7
71.04989	5.7
71.31160	5.0
73.02914	8.7
79.05492	23.7
79.06455	2.7
79.32372	3.7
79.93623	3.7
81.03400	10.5
81.07059	63.0
83.04961	9.0
83.08601	5.0
85.02910	30.7
87.04459	5.8
89.37675	2.9
91.05477	23.1
93.07051	49.4
95.04957	9.7
95.08611	46.0
97.02901	17.1
97.06517	6.5
97.10149	3.7
103.03932	6.7
105.07040	44.8
107.08600	43.1
109.02879	6.8
109.06499	3.9
109.10174	27.1
111.08099	4.7
115.03938	5.5
115.05444	7.4
117.07021	10.2
119.08592	45.3
121.10172	28.1
123.11687	12.8
124.81744	3.1
127.03912	5.5
129.06998	11.0
131.08594	25.5
133.10156	29.9
135.08012	3.7
135.11687	12.4
141.06978	3.9
142.07748	7.4
143.08556	28.9
143.29919	3.5
145.10132	42.5
147.07924	3.5
147.11703	27.8
149.09610	3.7
149.13248	13.1
155.08548	10.6
156.09367	6.2
157.10147	35.8
159.11703	48.9
161.09587	3.5
161.13260	13.6
163.11221	3.1
163.14799	6.6
165.09132	3.1
169.10126	15.1
171.11655	22.4
173.13274	26.0
175.11328	3.2
175.14813	14.5
181.10126	9.7
182.10986	3.2
183.11678	16.1
185.13258	18.8
187.14870	18.4
189.16292	5.4
193.10062	3.3
195.11682	9.0
197.13318	17.9
199.11156	3.5
199.14873	19.1
201.16380	12.2
209.13217	11.8
211.14793	15.0
213.16324	18.4
215.17850	3.5
221.13356	3.5
223.14876	7.5
225.16328	10.6
227.17932	10.7
229.19714	3.8
235.14935	3.7
237.16296	6.8
239.18042	6.4
241.19481	7.6
253.19566	11.0
255.21170	21.4
267.21002	17.1
269.22696	35.6
279.21127	10.5
281.22717	6.0
285.21924	4.5
291.21136	3.9
293.22614	3.5
297.22211	3.8
309.21805	5.6
311.23672	7.7
323.23517	4.3
341.91232	3.1
353.24835	5.1
377.24823	7.5
378.12225	2.9
395.25916	16.5
408.03961	3.4
413.26825	23.5
431.22263	7.0
431.27936	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.5
55.01869	5.5
55.05514	14.7
57.03436	6.9
59.04989	2.1
61.02920	7.5
67.05515	25.4
67.10111	2.1
69.03434	25.6
69.07068	11.0
70.02351	7.9
70.06576	3.5
71.01351	3.5
71.04998	3.7
72.08165	2.7
73.02916	5.4
79.05503	29.1
81.03439	10.9
81.07060	47.1
83.04977	6.5
83.08618	4.0
85.02909	21.6
87.04476	4.3
91.05490	23.8
93.07052	41.9
95.04948	11.0
95.08612	42.0
96.10154	1.8
97.02894	13.9
97.06539	4.8
98.21426	2.9
99.04462	6.6
103.03941	5.6
105.07037	46.6
107.04975	3.1
107.08592	37.8
109.06534	6.5
109.10159	27.4
111.04441	3.9
111.88771	2.2
115.03912	3.2
115.05431	2.4
117.07031	10.6
118.08662	3.1
119.08591	35.2
121.06505	5.3
121.10159	25.9
123.04412	2.9
123.08028	2.6
123.11720	8.8
125.05990	3.0
126.96060	2.1
127.03918	6.0
128.06250	4.4
129.05508	3.5
129.06956	10.0
129.10181	2.1
131.08577	29.9
133.06491	2.3
133.10139	27.5
135.11694	17.5
137.06053	1.7
137.09619	2.5
141.07005	3.2
142.07794	5.0
143.08575	20.4
144.09355	2.4
145.04961	2.7
145.10136	36.8
146.47787	2.2
147.08063	2.7
147.11693	26.2
149.09691	3.0
149.13287	6.8
154.38197	1.9
155.08569	10.6
156.09329	4.4
157.10141	26.1
159.08141	4.8
159.11693	31.9
159.12883	3.2
161.09641	3.5
161.13261	13.3
163.14847	3.3
165.06982	2.0
167.08592	3.4
168.37880	2.3
169.10124	13.1
170.10704	1.9
171.11696	18.1
173.09569	3.5
173.13251	19.7
175.11169	2.9
175.14879	10.4
179.08699	2.4
181.10153	5.8
183.11690	15.3
185.09602	3.8
185.13303	19.6
187.11235	4.1
187.14801	13.0
189.16508	5.0
190.50307	2.5
193.10164	3.8
195.11766	8.9
197.13261	14.6
199.14861	19.9
201.12967	3.2
201.16405	10.5
203.18007	2.4
207.11598	2.4
209.13326	7.7
211.11304	2.7
211.14822	11.3
213.12813	2.1
213.16437	15.0
215.14418	2.2
215.17969	5.9
219.11778	2.9
221.13425	2.4
223.14891	5.9
224.53122	2.1
225.12775	3.0
225.16322	9.4
227.17995	8.4
235.14838	4.1
237.16504	4.6
239.18007	7.3
241.19551	5.8
243.21107	5.8
249.16373	2.6
251.18054	3.6
253.19576	7.3
255.21111	14.7
265.19693	4.5
267.21051	15.3
269.22620	17.0
279.21204	7.1
281.22736	8.5
293.22787	5.6
297.22104	2.9
309.22238	2.5
311.23645	7.0
323.23740	4.1
335.23773	2.1
353.71783	2.4
377.24902	5.1
395.25891	11.5
397.14120	2.3
413.26837	20.1
430.43576	2.4
431.27975	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19239	0.8
55.01855	0.8
55.05506	2.4
57.03427	2.0
57.79640	0.8
67.05513	5.6
69.03437	5.5
69.07063	3.7
69.47075	6.4
78.30781	0.9
79.05498	5.7
81.07063	12.7
83.08608	1.2
91.05479	5.1
93.07034	6.7
95.08614	10.3
97.06542	2.1
103.34320	0.8
105.07036	11.2
107.05008	1.5
107.08613	6.2
109.06504	3.6
109.10176	4.7
111.08125	1.6
117.07050	1.7
119.08583	5.1
121.06524	7.4
121.10162	5.9
123.08091	4.4
123.11729	9.7
124.87630	0.9
125.05950	1.5
125.09608	4.4
127.07543	1.0
128.06244	1.9
129.07004	1.8
131.08586	5.7
133.06447	2.1
133.10133	2.7
135.04431	0.8
135.08072	3.1
135.11713	3.7
136.12627	0.9
137.09625	2.4
137.13243	1.1
141.07147	1.1
141.09090	1.8
141.68388	0.8
142.07860	1.0
143.08560	6.2
145.06456	1.0
145.10158	4.2
147.08018	2.9
147.11729	2.6
149.09607	3.4
149.13245	0.9
151.11177	10.0
153.06975	1.2
155.08582	3.5
156.09364	1.1
157.06496	1.3
157.10110	2.7
159.08029	2.6
159.11702	1.2
161.09608	2.7
161.13300	1.8
163.11195	4.0
163.14778	1.2
165.07042	1.9
165.09113	1.8
167.08549	1.9
167.10873	1.0
169.10130	5.0
169.12260	5.1
171.08066	13.4
171.11691	7.7
173.09648	1.2
173.13383	1.3
175.11189	2.5
175.14882	1.2
177.12698	0.9
178.07816	1.8
179.08571	6.9
180.09326	2.3
181.10172	3.5
182.07268	1.1
183.11678	1.8
185.09581	1.7
187.07587	0.9
187.11159	1.5
189.12759	3.2
189.16476	0.9
190.07664	1.8
191.08527	1.1
191.14314	6.9
192.09361	2.4
193.10201	5.3
194.07242	1.0
194.10965	9.7
195.08052	3.6
195.11794	4.1
196.08849	1.6
197.09608	8.0
197.13406	1.5
199.11256	1.4
202.07747	1.2
203.08601	2.3
204.09349	2.7
205.10178	4.8
206.10898	3.1
207.08058	2.1
207.11710	6.3
208.08922	5.9
209.09654	6.2
209.13341	1.8
210.10509	1.2
211.11172	5.6
211.14819	1.3
215.08560	4.8
216.09384	3.6
217.10088	2.8
218.10909	2.0
219.08058	2.8
219.11731	5.9
220.08864	2.9
220.12425	3.8
221.09666	12.0
221.13248	2.3
222.10393	7.3
223.11177	7.4
225.12680	1.4
229.10196	1.4
230.10916	6.9
231.08081	1.5
231.11697	3.3
232.08932	2.1
233.09630	7.0
233.13292	2.4
234.10382	5.1
235.11186	22.0
235.14742	5.7
236.11952	1.8
237.12773	9.1
239.14349	2.8
241.10173	1.0
243.11780	1.3
245.09615	2.5
245.13284	12.2
246.10388	4.8
246.14087	1.3
247.11249	5.2
247.14760	2.1
248.11986	11.8
249.12732	9.0
251.14331	3.8
253.12392	1.9
255.13911	1.2
256.12506	3.6
257.13232	1.2
258.14108	1.1
259.11194	4.3
259.14645	1.5
260.12021	3.0
261.12769	8.8
261.16589	2.0
262.13538	2.4
263.14337	100.0
264.14832	2.9
265.16028	4.4
271.14795	4.2
272.12000	1.1
273.12854	1.6
274.13541	7.5
275.14307	5.0
277.15894	2.4
279.13858	1.1
287.14355	2.9
289.15900	31.0
291.17398	3.8
301.15851	3.9
303.17474	5.3
304.18234	2.3
305.15552	1.0
305.18964	2.2
307.16965	4.2
363.23264	1.8
371.23492	1.1
385.25397	4.2
395.23721	3.3
413.24756	16.9
414.25156	1.0
431.25830	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	431.2509
Annotation	Ala-Leu-Leu-Asp
Peak:m/z	Relative Intensity
55.05504	0.9
56.05042	0.5
57.03465	0.4
69.06736	0.4
69.07079	5.2
70.02964	0.5
70.06603	6.5
70.55254	1.2
71.63390	0.4
72.08164	12.3
72.47008	0.4
75.05605	0.4
84.04517	2.5
84.08163	2.9
85.02914	0.5
86.09714	100.0
87.10049	2.3
88.03992	0.6
91.05496	1.1
95.04964	0.5
97.02905	0.4
101.07163	0.6
102.05539	1.8
107.08610	0.4
112.11308	0.4
116.07132	0.6
120.08163	0.9
129.06613	0.5
129.10258	2.2
130.04997	0.4
130.06529	0.4
132.10219	0.5
135.08063	1.3
136.07623	1.3
138.92046	0.4
143.11830	1.5
147.04480	0.5
148.06049	0.5
155.08121	0.6
157.13364	9.2
159.09288	0.5
170.06065	0.6
171.00232	0.4
171.11334	0.5
173.09291	1.2
185.12877	12.6
185.16487	2.9
189.12367	0.8
197.12949	0.6
199.17981	0.7
201.08740	1.5
201.12320	0.9
213.16031	2.2
215.13963	0.9
219.13403	2.2
227.17667	0.7
231.17131	1.5
242.15108	0.4
247.12910	12.2
253.19196	1.1
261.14597	0.5
287.05569	0.7
298.21378	1.6
300.15637	0.5
318.16617	0.6
431.18994	1.8
431.24496	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53961	0.6
55.05511	0.9
60.04519	2.8
67.05510	1.0
69.07072	7.7
70.06588	4.2
71.04996	0.8
71.50336	1.3
72.08160	3.2
75.05605	3.0
81.07082	1.0
84.04517	1.7
84.08144	2.1
85.02921	1.3
86.09712	100.0
87.04478	1.3
87.10056	1.0
89.06051	1.1
91.05464	1.1
93.07055	1.2
95.04979	0.7
97.02900	1.1
102.05550	1.6
107.08614	0.9
109.10155	0.9
112.03977	12.2
121.10146	0.9
131.08638	1.3
132.10242	1.4
133.10181	1.0
136.07584	1.0
139.05064	2.0
141.06613	1.3
143.11797	11.5
156.04184	0.8
169.06082	4.9
171.11327	1.4
184.06717	0.7
187.07231	1.8
211.93907	0.6
224.14026	0.8
245.18701	1.5
254.14926	4.4
272.16071	12.3
282.14471	0.6
300.15500	4.3
355.94559	0.8
403.13763	0.8
431.18732	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
54.53233	0.4
55.01867	0.9
55.05499	1.2
56.05024	1.1
60.04528	2.5
61.02937	0.5
63.28577	0.4
66.72949	0.4
67.05098	0.3
67.05497	1.1
68.05024	1.6
69.03439	3.8
69.07063	0.9
70.06578	1.5
71.04974	1.0
71.07351	0.5
71.49770	0.4
72.04507	0.7
72.08150	0.8
75.95805	0.4
80.05035	1.9
81.03425	3.4
81.07059	0.4
82.06569	1.0
83.04994	0.9
83.06107	0.5
83.08639	0.5
84.04509	7.5
85.02905	1.1
86.06084	0.6
86.09705	1.5
91.05465	0.4
93.07056	1.0
95.02187	0.4
95.06094	2.8
96.04501	22.0
97.02896	4.8
98.02435	0.6
98.06066	8.4
99.04469	1.6
101.02377	1.0
105.07037	1.0
107.08604	0.7
108.04478	1.0
109.02897	4.8
109.07601	0.5
111.65192	0.4
112.08706	0.7
114.05548	0.9
116.07132	0.6
118.62951	0.4
121.07642	1.6
125.00011	0.8
126.05524	16.6
127.03950	1.1
136.06140	2.1
138.05513	100.0
138.10280	1.1
139.05815	1.0
144.06575	19.2
145.10150	0.4
149.02368	7.2
149.03517	0.8
150.02693	3.5
150.03809	0.6
163.11136	0.5
168.06580	17.5
177.05309	0.4
184.07295	2.9
185.07504	0.4
186.07617	19.3
193.04974	4.7
194.05334	3.8
200.20164	0.5
204.08696	5.0
207.44934	0.4
207.68480	0.4
223.23456	0.4
237.07565	0.9
238.07947	0.5
254.00053	0.4
277.94510	0.4
303.17325	0.5
342.06839	1.0
360.08026	0.7
386.09689	3.5
430.12198	8.6
430.24673	1.9
431.12598	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23380	3.6
53.03924	6.5
55.05507	13.3
59.88224	3.4
67.05509	29.4
69.03400	4.5
69.07068	13.2
70.06600	4.0
71.08626	7.1
71.50670	4.8
72.92867	3.5
73.12929	3.3
79.05489	15.3
81.03416	15.4
81.07075	18.1
84.08192	3.6
86.09696	9.7
87.80805	3.3
91.05484	12.1
91.37443	3.3
93.07053	28.9
95.04957	13.9
95.06091	6.7
95.08624	20.2
105.07066	6.9
107.08590	10.2
109.10127	10.2
116.43195	3.3
119.08544	9.6
121.07608	7.3
121.10120	10.5
129.06995	4.3
131.08591	4.1
133.10098	7.1
135.11743	5.0
137.09633	9.9
138.10236	6.0
140.10666	8.7
149.13254	3.9
151.11203	6.7
184.07404	25.8
213.21274	4.3
272.34521	3.9
277.21652	68.2
278.88864	3.5
295.22714	100.0
395.81961	3.9
411.63571	3.5
430.25702	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	430.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
55.05515	2.3
56.05043	2.8
57.05814	0.5
58.06609	0.5
60.04531	0.9
67.05509	0.9
68.05023	0.8
69.03442	1.1
69.07075	6.0
70.02962	0.4
70.06599	13.4
71.06911	0.4
71.41441	0.8
72.08162	17.8
73.02918	1.0
73.08497	0.9
74.06086	0.7
75.05602	1.5
81.03425	0.5
81.07074	0.5
83.04995	0.5
83.06130	1.2
84.04514	16.4
84.08150	42.7
85.02918	2.2
85.06528	0.5
85.08472	0.7
86.06091	0.5
86.09713	100.0
87.04464	1.4
87.05605	1.2
87.10056	1.1
88.03988	1.0
89.07166	0.5
91.05493	1.5
95.04993	0.5
95.06111	1.5
96.04478	0.5
96.08144	0.6
97.02902	0.8
98.06068	1.7
99.04471	1.5
101.07142	2.1
101.10811	1.6
102.05552	2.1
103.04006	0.4
104.07138	1.2
107.04977	0.9
109.02843	0.5
110.06094	0.6
110.07172	1.3
110.09701	0.7
112.07673	0.6
112.08739	0.8
112.11247	1.1
113.07098	0.6
115.08704	1.2
116.07142	1.2
118.97392	0.4
119.04926	1.0
120.08132	1.6
121.07697	0.4
123.04458	0.8
124.11194	0.6
127.03960	0.6
129.06628	0.8
129.10254	17.6
130.05019	20.0
130.08636	0.6
131.08301	0.4
131.11844	0.5
132.08051	0.5
132.10220	1.3
133.06088	2.8
136.07605	3.2
137.05988	0.7
138.09142	0.5
139.08714	0.6
141.10237	1.0
143.11800	6.1
143.12807	0.5
145.05016	0.8
147.04422	1.3
147.07660	27.5
152.07037	0.6
155.08228	0.6
157.13371	4.3
159.09279	0.6
161.09250	0.7
166.12372	0.5
168.11427	0.8
169.09677	1.0
170.04555	2.1
171.11296	5.3
173.09326	0.5
175.01198	0.4
175.03888	0.5
176.32146	0.5
177.02927	0.4
183.11382	0.6
185.12849	3.4
185.14143	0.4
186.12445	1.7
187.07146	2.1
189.12434	0.8
196.14482	0.5
197.12939	1.2
197.16467	1.0
199.18040	2.6
200.10374	0.5
201.08762	0.9
203.10333	0.5
204.09801	4.6
213.16133	0.4
215.13963	0.5
221.05472	0.4
221.09584	0.4
227.17604	2.1
228.13544	0.6
238.14700	0.4
239.17503	0.6
242.18787	0.8
243.13483	1.3
246.14516	3.1
247.12909	1.1
249.10255	0.5
260.16095	6.4
268.19067	0.6
278.07782	0.5
279.06238	0.6
280.07492	0.5
281.19711	0.6
284.19580	2.1
298.09283	1.9
298.21283	0.8
299.17401	0.7
299.20837	1.3
301.11948	4.6
317.18259	1.8
317.21609	0.8
324.06256	0.5
351.14517	0.5
352.08774	0.5
385.14078	1.4
394.21640	0.6
395.13766	0.5
412.16061	2.5
412.21863	0.9
413.13565	0.9
430.16626	17.1
430.30606	13.8
431.16620	0.6
431.30756	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
55.05512	2.8
56.05040	2.4
57.03439	10.4
59.05004	100.0
60.05347	1.8
61.02954	1.7
69.03426	2.2
69.07076	5.7
70.02944	2.7
70.06603	13.2
71.50526	3.3
72.08161	22.2
73.02911	4.8
83.06078	1.8
84.04506	7.0
84.08146	30.0
85.02910	7.9
86.09712	78.9
87.05605	3.5
88.04001	2.3
91.05481	5.2
94.37846	1.6
95.04964	1.8
97.02898	4.8
105.85587	1.7
109.35780	1.6
110.07178	2.3
112.11245	1.7
115.03971	2.6
115.08696	2.0
117.09139	34.5
119.04893	2.2
127.03958	2.0
129.10245	18.5
130.10596	2.1
132.10226	2.2
136.07602	21.3
140.08160	1.7
141.06575	4.7
141.10274	3.1
145.04994	3.0
147.04391	1.6
158.09290	4.4
173.12885	2.0
175.13255	8.6
185.12915	1.9
186.08920	4.1
201.12405	2.6
245.18631	3.8
251.18564	56.3
254.15163	4.0
287.05701	2.9
298.14273	1.9
299.17044	2.2
299.39301	1.9
300.15530	1.9
301.98169	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	430.265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18111	1.3
55.05502	2.1
56.05028	3.2
57.03432	6.8
59.05005	100.0
61.02924	2.0
69.03441	2.6
69.07061	5.6
70.02939	2.0
70.06596	15.5
70.71170	1.9
70.71500	3.2
72.08157	13.9
73.02925	4.2
74.06065	1.4
84.04500	6.6
84.08145	19.7
85.02921	9.6
86.09711	84.8
87.10030	2.1
88.03999	3.0
91.05453	2.2
95.06078	1.9
97.02905	4.4
98.06065	2.7
99.05568	1.7
108.75623	1.5
115.03960	1.5
117.09146	28.5
119.07367	1.8
120.08118	3.6
121.10339	1.3
124.04040	1.6
127.03934	2.1
129.04358	1.6
129.10260	12.5
132.10222	2.1
135.10245	2.0
136.07587	17.5
141.06581	4.4
143.11801	2.0
169.06079	1.9
175.13313	6.8
186.08769	6.6
187.07172	2.1
201.12331	1.6
245.18687	5.5
251.18555	53.7
254.15082	2.2
271.17606	1.8
282.14401	1.7
284.06152	1.6
284.12851	1.4
287.05527	2.3
299.17136	3.2
300.15591	2.6
325.06876	1.9
342.13458	1.5
353.06436	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.9
59.04721	0.9
59.05002	13.5
66.13254	0.6
66.66811	0.6
67.05496	0.7
68.60350	0.7
69.03440	0.7
70.06585	2.7
70.76597	2.1
72.08145	1.7
84.08151	2.0
85.02890	1.3
86.09711	3.5
91.05473	1.2
94.44989	0.8
102.05528	0.9
105.07040	1.0
115.05466	1.3
128.06279	0.9
129.06995	5.4
131.08624	0.9
141.07027	2.7
142.07784	27.6
145.10117	3.1
155.08559	3.5
156.09375	1.5
157.10139	100.0
158.10474	2.0
158.58788	0.7
159.08069	8.7
163.07088	0.9
167.08594	1.8
168.09325	1.1
169.10170	3.6
171.11682	0.8
173.13258	0.9
182.10927	12.4
197.13264	42.9
198.13571	0.8
199.14816	1.1
215.14334	14.4
233.15376	85.3
234.15753	2.6
324.12408	1.1
359.18179	0.7
377.19492	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
55.05512	2.8
56.05040	2.4
57.03439	10.4
59.05004	100.0
60.05347	1.8
61.02954	1.7
69.03426	2.2
69.07076	5.7
70.02944	2.7
70.06603	13.2
71.50526	3.3
72.08161	22.2
73.02911	4.8
83.06078	1.8
84.04506	7.0
84.08146	30.0
85.02910	7.9
86.09712	78.9
87.05605	3.5
88.04001	2.3
91.05481	5.2
94.37846	1.6
95.04964	1.8
97.02898	4.8
105.85587	1.7
109.35780	1.6
110.07178	2.3
112.11245	1.7
115.03971	2.6
115.08696	2.0
117.09139	34.5
119.04893	2.2
127.03958	2.0
129.10245	18.5
130.10596	2.1
132.10226	2.2
136.07602	21.3
140.08160	1.7
141.06575	4.7
141.10274	3.1
145.04994	3.0
147.04391	1.6
158.09290	4.4
173.12885	2.0
175.13255	8.6
185.12915	1.9
186.08920	4.1
201.12405	2.6
245.18631	3.8
251.18564	56.3
254.15163	4.0
287.05701	2.9
298.14273	1.9
299.17044	2.2
299.39301	1.9
300.15530	1.9
301.98169	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	430.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52351	1.8
52.44657	2.1
55.01868	12.5
55.05503	3.3
56.05040	4.6
57.03435	16.0
57.07076	7.6
59.05016	14.1
61.02930	3.9
63.04486	7.8
69.03433	10.7
69.75811	11.3
70.02956	2.7
70.06604	26.0
71.01355	3.4
72.08163	27.7
73.02928	63.1
74.06087	5.7
79.05492	3.4
84.04499	6.3
84.08154	30.2
85.02920	21.9
85.08497	3.0
86.09717	63.3
87.04468	6.1
87.10039	3.0
88.03996	3.7
88.92112	2.1
89.06029	9.3
91.05485	2.9
93.07060	2.7
95.04974	2.5
97.02901	20.6
99.04463	100.0
102.05553	3.3
103.03973	16.4
103.07597	11.7
109.02865	3.0
110.07162	2.2
115.03934	16.4
116.07113	3.7
117.05510	17.3
119.04956	2.3
119.10709	32.3
120.08093	4.9
124.99875	2.1
127.03932	3.4
129.10229	15.1
131.07179	2.1
132.10210	5.3
133.04993	4.9
136.07585	6.7
141.05426	4.0
141.10214	2.9
143.11783	5.4
145.04962	7.0
147.04404	5.9
147.10143	4.0
153.49805	2.0
155.11794	2.8
159.09209	4.0
161.08110	9.0
161.11226	2.3
197.12782	2.8
200.13969	3.1
201.12415	3.4
205.10741	8.1
233.15259	2.4
281.15775	2.7
337.18481	6.2
342.13358	2.9
349.18582	9.8
367.19669	6.0
397.91443	2.4
430.21545	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	430.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64550	0.5
51.76413	0.6
52.96236	0.5
55.01851	0.9
56.36787	0.5
59.04996	7.9
67.05508	1.5
69.03412	1.3
69.07061	1.4
70.06602	3.8
71.41866	0.7
71.42255	0.7
72.08170	3.8
79.05499	1.4
81.03416	0.7
81.07031	2.2
81.07469	0.6
83.04995	1.0
84.04476	0.6
84.08166	3.0
85.02905	1.6
86.06078	0.8
86.09704	4.8
87.10037	1.1
89.06037	0.6
91.05477	8.2
93.07033	1.6
95.06099	0.6
98.06081	0.8
102.05520	0.6
105.07027	4.4
107.08611	0.9
115.05488	0.8
116.06241	2.0
116.07023	0.7
117.07028	1.7
119.08592	5.8
121.10174	3.0
128.06256	1.0
129.07024	2.1
129.10220	1.0
130.07741	0.9
131.08583	36.2
133.10133	3.1
136.07552	0.9
141.07066	0.9
142.07748	1.8
143.08569	2.1
145.10126	16.3
147.11716	1.1
149.09639	2.1
155.08556	1.6
156.09340	2.2
157.10144	11.8
158.10869	1.5
159.08076	4.7
159.11690	4.0
169.10173	3.2
171.11723	3.8
172.12407	1.2
173.09715	0.9
173.13292	12.4
175.11185	1.1
182.10939	5.2
187.14853	6.8
197.13258	6.5
215.14330	9.2
230.17398	0.7
233.15382	100.0
234.15749	2.1
342.13199	1.0
343.46591	0.6
430.19717	0.7
430.26324	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	3.8
55.05507	1.3
57.03438	9.6
58.02962	6.8
59.04991	3.6
61.02932	6.8
64.38980	1.2
69.03436	12.1
69.07066	2.1
70.06599	9.2
70.09519	4.8
71.01334	1.4
71.04996	1.4
72.08154	7.5
73.02924	40.9
79.05480	1.3
81.03414	3.2
84.04488	2.4
84.08142	5.6
85.02908	36.3
85.61269	1.3
86.09714	37.6
87.04436	2.3
87.05590	1.3
88.03969	2.0
91.05479	4.3
97.02892	23.0
98.02410	1.7
99.04455	4.9
99.05573	3.1
102.05556	1.6
109.02859	2.5
113.07131	3.9
115.03938	11.2
115.04723	1.2
115.05009	1.0
118.06525	4.2
119.07327	12.1
123.04409	1.8
127.03934	8.7
129.10242	4.2
132.10220	1.0
133.04988	12.1
136.07587	100.0
141.06593	3.9
143.11765	2.0
145.04950	10.0
158.09244	6.6
163.05994	1.5
186.08755	7.5
240.13411	1.9
241.07033	1.7
245.18608	3.4
254.14894	1.5
268.11829	2.9
282.14359	1.5
299.17145	6.3
305.73438	1.2
355.08304	2.0
428.29895	1.3
430.21094	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	429.3732
Annotation	4alpha-formyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol
Peak:m/z	Relative Intensity
52.43870	1.3
53.03952	1.8
55.01862	1.9
55.05513	20.9
57.07083	20.6
65.65820	1.1
67.05511	16.5
69.07075	31.7
69.85533	8.0
71.08638	17.8
79.05498	11.1
81.07069	34.8
83.04987	4.7
83.08636	11.9
85.10185	12.4
91.05488	8.9
93.07048	18.8
94.42279	1.4
95.04989	1.8
95.08619	41.5
97.06531	5.9
97.10183	10.4
98.21310	2.4
105.07037	17.1
107.04956	3.8
107.08613	21.7
109.06511	2.8
109.10168	16.6
111.08112	1.7
111.11743	6.2
113.00022	2.1
117.07028	3.8
119.08605	15.6
121.06514	6.4
121.10168	10.6
123.08065	4.7
123.11724	8.6
125.05985	2.8
125.13297	3.0
129.06993	4.8
131.08551	11.3
133.06430	2.9
133.10162	14.9
135.08066	3.7
135.11728	10.4
137.09637	4.5
137.13292	2.4
142.07832	2.5
143.08566	5.7
145.10120	12.9
147.08044	1.8
147.11690	11.4
149.09642	13.7
149.13280	5.9
151.14754	1.8
152.42885	1.3
154.73021	1.3
155.08563	4.2
155.88626	1.3
156.79280	1.3
157.10139	11.0
159.07993	1.8
159.11702	12.4
161.09647	5.8
161.13257	4.4
163.11197	6.4
163.14873	3.3
165.09125	10.8
169.10086	4.0
171.11720	6.2
173.09616	2.3
173.13306	9.2
175.11200	19.8
175.14853	2.4
177.12758	4.0
177.16435	2.8
183.11723	2.5
185.13251	5.4
187.14877	3.3
189.12753	3.7
189.16422	1.7
191.10696	1.9
193.12280	2.6
197.13303	1.9
199.14857	5.3
201.12772	2.8
201.16414	4.2
203.14323	3.9
211.14876	5.1
213.16281	2.9
215.14381	4.3
215.18088	1.7
217.15929	5.8
217.17746	1.4
221.22588	1.6
225.16463	2.2
227.17987	2.0
229.15948	5.6
231.17451	2.8
239.17982	2.3
243.17511	2.1
253.19550	3.5
257.19086	3.6
271.20639	6.0
353.32007	2.0
383.36823	4.6
393.35156	8.6
411.36224	40.7
412.36777	1.6
429.32077	6.6
429.37302	100.0
430.37683	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	429.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53868	0.8
55.05508	1.6
57.01551	1.0
57.03448	1.1
59.05005	100.0
60.04529	1.2
61.02931	1.5
66.14303	1.0
66.28680	0.9
69.03440	1.0
69.07063	1.3
70.06602	10.7
70.64656	2.1
71.25834	0.8
72.08160	8.2
73.06544	2.0
79.05497	1.3
81.03418	2.0
81.07050	1.4
83.08652	0.8
84.04508	1.7
84.08157	5.1
84.98297	1.1
86.09711	38.2
87.04462	3.8
89.06038	71.0
91.05464	1.0
95.04977	2.5
95.13595	0.8
97.02856	1.1
98.06020	1.1
103.07587	69.9
105.07042	1.4
107.07095	1.5
116.07092	9.4
117.09171	1.7
119.08646	1.0
120.08127	1.6
123.04421	2.2
129.10257	2.3
131.07048	1.2
133.08611	30.7
136.07675	1.0
147.04381	1.2
147.10170	17.5
150.06740	0.9
161.05962	1.8
162.06760	3.3
173.12862	3.6
177.11240	5.4
183.11282	2.1
194.53458	1.0
199.52364	0.9
201.12320	2.1
229.15477	2.5
235.13358	2.5
267.12109	2.2
267.15674	1.0
296.01627	0.9
296.19614	4.5
301.14597	1.1
314.20251	1.2
314.89688	0.9
323.09155	1.1
341.10202	4.2
429.20776	3.2
454.47827	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68903	0.6
55.05517	3.0
57.03450	5.2
57.07066	1.1
60.08165	1.0
65.73941	0.6
67.05513	9.9
69.03392	0.8
69.07064	3.5
71.50827	1.0
73.04754	0.8
78.84728	0.6
79.05494	8.5
81.03431	0.7
81.07059	10.2
83.08631	1.8
84.08128	0.6
86.09707	4.1
91.05471	6.2
93.07050	11.5
95.04993	0.8
95.08626	9.2
97.10186	1.0
98.98474	1.6
99.08102	0.9
105.07034	4.6
107.08608	7.2
109.10184	3.9
109.30083	0.7
113.00027	100.0
117.07021	1.8
119.08589	3.4
121.10162	6.4
123.11691	1.7
125.00021	3.4
129.07008	0.8
131.08586	4.6
133.10146	2.7
135.11705	4.4
136.06168	3.1
137.13242	0.7
145.10126	3.4
147.11707	2.2
149.09639	1.0
149.13283	4.9
158.50644	0.6
159.11714	2.1
161.13222	1.7
162.07796	6.1
163.14830	3.0
169.02626	82.5
170.02939	0.7
173.13278	3.1
175.14854	0.7
177.16420	1.0
184.07361	9.7
187.14792	2.1
233.22572	0.8
243.21040	5.5
261.19440	1.4
261.22156	20.6
262.22418	0.6
347.21866	0.6
386.08533	0.7
429.18930	1.5
429.24136	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.9
54.10412	0.4
55.05514	2.7
56.66649	0.4
56.94662	0.4
57.03437	4.1
57.07077	2.4
57.73103	0.4
58.75807	0.3
60.04531	1.5
65.03941	0.6
67.05507	8.3
69.07081	2.4
71.08635	0.5
71.50856	0.4
71.51244	0.6
74.06091	1.1
79.05495	7.3
79.61157	0.4
81.03411	0.5
81.07062	10.2
83.04969	0.5
83.08636	0.9
83.38029	0.4
85.06509	0.4
86.09699	0.6
87.08103	3.4
87.83630	0.4
88.07638	1.3
88.08418	0.6
90.69997	0.4
91.05482	5.5
93.07046	11.6
95.04967	0.7
95.08611	8.7
95.09181	0.7
97.10165	0.4
98.98460	0.5
99.08130	0.6
105.07036	3.9
107.08604	7.5
109.06554	0.4
109.10155	3.6
111.08047	0.4
113.00023	100.0
117.07037	1.4
119.08573	3.3
121.10152	5.7
123.08080	0.4
123.11742	2.0
124.99940	0.6
131.08578	4.3
133.10149	2.5
135.11699	5.1
137.09644	0.7
137.13275	0.5
139.01564	0.7
145.10110	3.0
147.11668	2.1
149.09628	0.5
149.13283	4.0
151.01563	0.6
155.01038	0.5
157.10103	0.6
159.11679	2.8
161.13301	1.4
163.14842	3.5
169.02620	86.4
170.02985	0.5
173.13232	2.8
175.14891	0.6
177.16396	1.4
184.07361	1.0
187.14812	1.6
188.67676	0.5
195.26103	0.4
201.16293	0.8
223.03838	0.4
233.22623	1.1
237.56494	0.4
243.21124	5.8
248.31425	0.4
249.57997	0.4
261.22156	18.3
262.22632	0.8
267.65768	0.5
275.23654	0.5
304.56543	0.4
325.28903	0.5
394.92224	0.4
397.35059	0.9
429.18805	0.7
429.23965	1.3
429.32150	0.5
429.37622	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	429.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81273	0.5
55.01829	0.8
55.05471	1.7
56.05000	0.8
60.04515	0.9
67.05482	0.7
69.03385	1.1
69.07036	1.6
70.06596	13.0
71.50250	0.8
72.08164	8.3
72.34457	0.5
73.04723	0.9
77.03916	0.9
79.05487	1.3
81.03408	1.0
81.07024	0.9
83.04976	0.7
84.04478	2.1
84.08147	4.3
85.02863	1.3
85.45227	0.6
85.81634	0.5
86.09711	69.3
87.05589	0.8
89.03885	2.4
89.10756	1.1
91.05442	3.3
93.07043	0.9
95.04992	0.7
97.02883	0.9
98.06029	0.7
102.04681	4.0
103.05447	1.7
105.03413	1.2
105.06407	0.8
105.07040	8.7
107.04970	1.1
109.10133	0.8
115.05451	0.9
115.08715	3.0
116.07106	13.4
117.03364	2.9
118.04089	0.9
119.04955	5.7
120.08086	2.1
121.06501	1.2
124.03983	0.6
124.05188	0.9
129.10242	2.6
130.03212	1.0
130.04155	20.0
130.05112	1.3
131.04900	1.9
131.08611	0.7
133.02875	5.8
133.06496	8.3
133.10146	0.6
135.04407	3.7
137.05983	10.1
143.05997	1.2
145.02859	2.6
146.03659	7.5
147.04417	28.6
149.04797	0.8
149.05994	13.9
150.06773	18.4
151.07541	0.8
159.04420	0.6
161.02414	0.8
161.04634	1.3
161.05994	28.9
162.06770	100.0
163.03920	6.2
163.07408	1.3
173.12856	3.3
177.05478	14.7
178.06293	4.7
178.07713	0.9
179.07056	0.7
183.11314	2.0
187.03906	1.7
199.03964	2.3
199.18076	5.9
201.12358	4.3
203.13919	5.1
207.08112	1.0
208.18951	0.7
217.04889	0.7
227.17560	4.8
229.15543	3.8
234.06708	0.6
235.07596	1.5
245.06160	0.7
263.07031	0.9
265.08704	0.8
267.10580	0.7
277.08792	0.7
291.06479	3.4
295.09875	1.2
296.19681	4.5
311.09216	2.4
314.20737	0.9
323.09164	32.7
341.10223	64.5
342.10654	1.4
411.20013	1.1
412.17517	5.1
429.20767	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65948	1.0
55.01868	1.1
56.96570	4.6
60.66606	0.9
63.66272	0.9
67.05485	1.2
69.03422	1.2
70.06596	16.5
71.49957	0.7
71.54775	0.8
72.08161	19.9
74.06059	1.0
77.03922	1.6
79.05497	2.3
80.36035	0.9
81.03418	1.3
81.07068	1.5
84.04499	2.5
84.08139	8.2
84.96063	1.5
85.02921	2.8
86.09704	14.3
87.10017	1.3
89.03914	5.8
89.06044	1.2
89.10802	4.9
91.05456	6.6
93.07022	1.5
95.04967	1.9
97.02922	1.6
98.06034	1.2
98.97585	9.3
102.04678	5.4
103.05466	2.9
105.03407	2.6
105.07044	9.3
107.04932	1.9
110.07143	2.5
110.97567	3.2
115.05456	2.1
115.08681	3.2
116.07064	1.1
116.98614	2.7
117.03384	6.5
118.04166	1.8
119.04945	6.3
120.08111	2.2
121.06502	3.8
123.04388	1.1
124.05206	2.6
127.03937	1.2
128.98618	1.5
129.10262	3.8
130.04147	21.4
131.04941	4.9
133.02852	23.6
133.06490	9.0
134.03717	1.2
135.04417	9.7
136.07594	2.2
137.05989	20.5
143.00163	1.6
143.06027	0.9
145.02869	4.0
146.03644	8.8
147.04414	32.3
147.07968	0.9
149.05988	21.9
150.06772	36.4
151.03897	1.1
151.07608	1.4
159.04489	1.5
161.01215	1.5
161.02341	4.9
161.05994	34.4
162.06770	100.0
163.03909	13.8
163.07487	3.5
165.05501	2.0
171.03249	1.6
177.05476	22.9
178.04898	1.6
178.06270	6.4
179.08536	1.8
180.07806	1.6
187.03978	4.4
189.04370	4.2
199.03865	2.3
201.00706	1.4
207.08032	2.5
219.01802	4.9
229.15443	1.0
231.05426	1.3
233.05836	2.1
234.06796	1.1
235.07623	3.3
237.02760	4.6
249.12379	3.1
250.06245	1.6
250.13103	9.8
261.05588	1.1
262.06137	1.2
263.07095	3.6
265.08594	1.3
278.05914	1.4
279.06619	1.2
291.06537	18.3
293.08051	2.5
311.09164	6.6
315.07541	7.1
323.09149	47.1
331.50903	1.1
333.08633	6.2
341.10199	91.4
342.10440	2.5
399.18979	2.1
412.17691	7.5
429.20316	51.6
430.20633	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	428.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05270	1.9
55.05518	24.5
56.05033	5.9
57.07078	23.7
58.06598	4.1
60.04532	29.7
67.05515	5.1
68.05019	1.9
69.07073	4.2
69.25386	10.2
70.06606	2.1
72.04512	2.3
74.06089	27.7
79.05500	2.9
81.07072	6.8
82.06591	1.3
83.08634	4.9
85.27995	1.2
86.06070	5.6
87.08116	79.8
88.07642	26.9
91.05501	3.3
93.07044	3.4
94.06541	1.1
95.08620	4.6
101.09668	2.1
105.07055	1.6
109.10157	2.2
113.00049	7.0
119.08573	2.4
121.10176	1.6
131.08612	1.5
133.10069	1.7
135.11716	1.4
140.23763	1.3
142.12299	12.8
145.73128	1.4
169.02679	3.5
174.14909	18.4
196.66107	1.3
223.32082	1.2
280.26404	3.4
297.63644	1.2
298.27524	7.2
324.28946	6.7
326.27127	1.1
342.30057	9.4
396.34769	23.5
428.37402	100.0
429.37656	1.7
433.59946	1.3
447.63840	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	18.3
56.05023	4.6
57.07081	26.4
58.06592	4.2
60.04533	32.2
67.05495	5.3
68.05038	1.5
69.07061	4.2
71.50962	2.1
72.04510	3.1
74.06085	25.2
76.94812	1.2
79.05486	3.5
81.07069	6.7
82.06580	1.9
83.08630	3.1
86.06075	7.0
87.08114	81.7
88.07639	26.2
91.05478	1.7
93.07059	3.1
94.06562	1.5
95.08618	6.9
98.09705	2.5
101.09622	2.3
105.06968	1.4
109.10163	3.1
114.11771	1.2
119.08632	1.4
121.10167	1.8
133.10117	1.2
137.13190	1.3
142.12288	13.6
174.14903	17.9
174.16292	2.1
280.26431	3.4
298.27533	7.8
324.28995	7.2
342.30060	13.8
396.34750	24.9
428.37396	100.0
429.37888	2.4
452.08975	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19619	1.7
55.01871	2.1
57.03441	1.9
63.15458	1.5
69.03439	20.8
70.06601	2.6
70.51163	3.4
70.51511	2.3
72.08189	2.1
81.03419	1.7
84.08125	2.0
85.01131	2.5
85.02914	12.5
88.03978	3.0
89.00610	5.8
96.04519	3.3
96.05750	1.7
97.02911	4.0
99.02734	3.5
99.04468	23.7
109.02912	2.6
113.02398	4.3
114.03798	2.6
115.03895	2.4
117.00095	39.9
127.03925	54.7
131.03441	1.7
136.60538	1.6
142.03203	6.2
143.01799	1.8
144.99561	100.0
145.04979	72.8
145.05817	1.5
145.06143	2.3
157.03362	2.1
161.02861	1.8
163.00703	2.3
164.00417	1.7
170.02731	49.8
173.03004	2.9
177.02190	99.4
188.03748	3.0
198.02206	5.6
216.03290	38.7
217.46321	1.7
220.06372	4.5
228.77840	1.5
234.04541	2.1
245.05168	4.6
248.05609	2.7
248.76942	1.6
249.04320	31.3
266.04095	4.0
266.06949	91.2
268.54367	1.7
271.08173	2.9
293.24341	1.5
308.07840	1.8
313.09836	1.4
314.45822	1.7
383.45679	1.5
410.11050	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	427.3577
Annotation	Oxidosenexone
Peak:m/z	Relative Intensity
53.03938	2.8
55.05512	11.1
57.07077	11.7
67.05507	12.6
69.07075	23.6
71.08640	6.6
71.50879	1.4
79.05496	11.0
81.07066	34.8
83.04977	1.9
83.08625	10.8
83.86318	1.1
85.10178	4.1
91.05486	5.3
93.07052	14.3
95.04964	1.5
95.08615	27.5
97.06531	3.9
97.10184	6.5
105.07065	4.6
105.20506	1.1
107.04977	1.5
107.08605	18.3
109.06525	7.1
109.10159	19.9
111.04469	1.2
111.11727	3.8
119.08571	5.5
121.06554	2.2
121.10152	13.5
123.08066	3.2
123.11736	6.2
131.08609	5.7
133.10156	5.4
135.08047	3.1
135.11700	13.7
137.05981	14.8
137.09628	3.5
137.13287	4.0
143.08591	1.8
145.10117	5.4
147.08093	2.0
147.11676	2.9
149.09634	5.9
149.13257	9.5
151.14842	1.6
159.08035	2.9
159.11722	2.3
161.09596	2.2
161.13222	3.4
163.11240	3.1
163.14812	8.7
165.09125	42.7
165.10524	2.1
173.09673	7.7
173.13194	1.4
175.11221	3.9
177.09149	5.5
177.16444	2.3
187.11205	1.5
187.14830	1.7
189.09090	1.2
189.12698	2.3
189.16403	1.4
191.10678	8.9
191.17960	7.6
203.10710	2.1
203.17967	1.5
205.12231	4.8
205.19620	2.1
219.13864	1.2
219.21175	1.5
270.75464	1.5
275.27393	6.5
287.20184	1.8
289.28928	1.5
303.26825	4.3
362.75555	1.5
383.33124	1.3
395.58411	1.3
399.36099	1.9
409.34360	2.2
427.35632	100.0
428.36044	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	427.3575
Annotation	7-Oxostigmasterol
Peak:m/z	Relative Intensity
51.32022	1.8
53.03948	7.2
53.51751	1.8
55.01871	2.5
55.05516	61.0
57.07086	21.3
67.05508	26.9
69.07074	100.0
70.10223	9.0
71.08635	8.0
79.05495	16.9
81.07067	57.2
83.04994	15.5
83.08629	54.7
83.09127	3.1
85.10182	4.3
86.01878	1.9
91.05499	14.7
93.07059	37.6
95.04968	4.3
95.08615	63.6
97.06532	15.6
97.10183	29.9
105.07034	32.9
105.08189	2.3
107.04994	3.2
107.08611	33.9
109.06495	4.4
109.10167	51.3
111.08106	4.4
111.11725	10.0
117.07037	8.3
119.08587	27.9
121.06517	7.7
121.10157	26.5
123.08075	15.1
123.11708	17.5
125.06007	3.5
125.13248	2.2
129.07018	7.2
130.07764	2.5
131.08566	19.0
133.10127	28.7
135.08054	5.7
135.11697	18.3
137.09650	3.5
137.13264	9.7
139.14780	4.5
141.26970	1.9
143.08577	13.0
145.10127	23.0
147.08067	3.0
147.11673	21.9
149.09621	13.3
149.13272	14.9
155.08586	7.8
157.10126	18.9
159.11696	20.8
161.09630	9.5
161.13284	10.1
163.11229	6.0
163.14842	8.1
163.32561	1.9
165.09148	11.4
166.57132	2.4
169.10153	6.6
171.11717	11.2
173.09660	13.4
173.13213	10.2
175.11227	20.5
175.14833	7.3
177.12791	4.2
183.11717	7.7
185.13287	14.9
187.11256	3.6
187.14836	7.0
189.12749	10.4
189.16383	5.2
191.18019	3.5
195.11703	3.6
197.13304	9.9
199.14842	6.6
201.12782	5.6
201.16391	9.3
203.10789	2.1
203.14320	5.9
209.13156	2.9
210.14032	3.5
211.14853	7.3
213.12726	3.7
213.16412	7.7
215.14326	6.8
215.17941	3.7
217.15935	8.3
219.20895	2.7
223.14909	4.8
225.16547	4.8
227.14314	4.8
227.18047	3.8
229.15904	5.8
231.13872	5.0
231.17433	2.8
237.16408	2.6
239.17952	4.9
241.16084	3.8
241.19574	3.5
243.17456	5.9
243.21271	3.2
251.17903	3.6
253.19569	12.0
255.17592	2.6
269.19043	9.8
271.20557	19.5
279.21048	2.7
281.22580	2.5
285.22079	5.0
293.22659	7.1
297.22018	15.8
299.23788	5.7
311.23679	17.8
313.25018	2.5
315.23111	6.9
329.24878	4.6
355.30002	8.7
391.33679	2.5
409.34683	30.5
427.30093	4.8
427.35678	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3576
Annotation	7-Oxostigmasterol
Peak:m/z	Relative Intensity
53.03939	3.2
55.05517	47.3
57.07072	9.2
60.55327	1.6
60.69335	1.5
65.03955	1.4
65.46886	1.5
67.05505	20.0
68.53944	1.6
69.07073	73.6
69.57341	3.1
69.57756	6.5
70.64191	1.7
71.04993	1.6
71.08625	6.1
79.05504	16.5
81.06590	2.7
81.07065	43.4
83.04974	5.1
83.08627	32.5
86.44385	1.4
91.05479	17.4
93.07051	30.9
95.04964	2.9
95.08617	56.2
97.06532	8.3
97.10171	20.6
98.21439	3.1
105.06390	2.9
105.07038	29.8
107.04956	3.5
107.08606	34.3
108.38386	1.4
109.06519	4.3
109.10159	38.2
110.23444	1.5
111.08060	1.7
111.11738	10.1
117.07045	6.6
119.08597	22.9
121.06548	8.4
121.10149	23.1
123.08070	6.4
123.11721	14.3
125.06004	4.2
125.13236	1.7
125.78815	1.6
128.06216	2.6
129.07018	5.0
131.08542	17.6
131.69530	1.5
133.06474	2.4
133.10139	25.4
135.08083	6.4
135.11711	14.7
137.09637	2.4
137.13263	8.4
141.07028	2.5
142.07787	4.8
143.08493	10.0
145.10139	18.8
147.08052	4.8
147.11691	15.8
149.09631	16.2
149.13284	10.6
151.14821	3.0
155.08534	4.4
157.10139	14.3
159.11737	19.0
161.09628	9.3
161.13261	13.1
163.11188	5.1
163.14848	5.6
169.10147	5.3
171.11763	8.7
173.09648	11.8
173.13286	9.2
173.29697	1.5
175.11197	20.8
175.14879	7.5
177.12752	4.4
183.11752	3.6
185.13300	9.3
187.11133	4.2
187.14870	8.0
189.12767	4.6
189.16402	4.5
193.12228	2.3
195.11707	2.8
197.13335	4.9
199.14835	6.5
201.12701	5.0
201.16409	6.1
203.14354	3.1
209.13321	3.5
211.14862	5.3
213.16338	8.0
215.14343	5.0
217.15938	5.3
223.14835	3.9
225.16464	4.2
227.14467	2.3
227.17963	2.2
229.15860	8.0
237.16328	2.4
238.17233	2.4
239.17967	2.6
241.19553	1.9
245.51205	1.7
251.18047	3.4
253.19511	8.7
254.20065	2.0
255.17526	3.3
260.32706	1.5
269.19058	9.5
271.20670	8.4
281.22827	1.9
283.20599	2.7
283.24112	2.5
287.20123	2.9
293.22675	3.5
297.22110	12.5
299.23669	3.4
301.11823	1.6
311.23776	14.4
315.23267	3.9
325.25305	2.5
329.24896	4.2
345.12793	2.1
381.35251	2.4
391.33578	4.3
403.39984	1.6
409.34616	30.9
427.35751	100.0
428.36197	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	427.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41936	2.2
53.03947	4.2
53.60236	2.0
55.05272	2.4
55.05517	33.0
57.03424	2.9
59.07369	2.4
67.05505	13.1
69.07061	6.4
70.06599	13.0
71.04992	3.6
74.68778	2.0
75.37466	2.3
79.05490	15.7
81.07067	35.1
83.04993	4.1
83.08627	100.0
86.09701	4.3
91.05485	13.6
93.07052	40.2
95.08613	25.2
97.06554	3.2
105.04453	2.0
105.07043	20.1
107.04922	2.6
107.08604	18.5
109.06502	2.3
109.10168	12.2
110.40536	2.2
111.08089	94.7
111.76273	1.9
113.09628	2.8
116.07079	7.7
117.07028	5.1
118.08670	44.5
119.08580	16.6
121.06550	2.9
121.10159	14.3
123.08088	4.2
123.11710	8.7
128.06189	3.1
129.07010	6.5
131.08554	17.3
133.10152	12.4
135.11699	10.5
137.09578	4.5
139.11177	6.3
141.07048	2.6
142.07768	9.4
143.08560	14.9
145.10136	19.0
146.25209	2.4
147.11690	11.1
149.09618	3.3
149.13290	5.3
155.08557	17.9
157.10144	48.6
159.11700	16.7
161.09631	3.7
161.13274	7.4
163.11169	3.1
165.12802	2.6
167.08624	4.5
169.10138	8.8
171.11719	9.6
172.68256	2.4
173.09592	5.4
173.13264	7.8
175.04037	3.1
175.11131	6.8
176.46140	2.4
177.05437	3.2
181.10118	5.0
183.11761	10.3
185.13257	8.3
187.14848	5.8
195.11717	7.9
195.74620	2.1
197.13271	9.9
199.14865	6.3
201.12816	2.6
201.16417	5.3
209.13260	9.5
211.14781	8.5
211.89430	2.3
213.16336	2.5
215.14264	2.4
221.13318	4.4
223.14790	3.9
225.16496	3.9
235.14774	4.3
237.16399	4.3
239.17923	3.5
241.19478	2.8
248.47504	3.1
249.16406	4.8
251.17981	20.5
253.15738	2.2
253.19469	13.8
265.07077	3.2
267.17343	3.1
269.19019	12.5
271.20526	5.2
279.21133	2.1
281.22598	20.5
287.20117	18.3
291.21039	8.6
299.23752	12.3
309.22208	25.7
310.22610	2.6
317.24747	6.6
327.23257	21.1
345.24368	14.6
391.29929	9.5
409.31210	6.1
427.26837	2.8
427.32196	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.4
55.01868	3.9
55.05306	2.3
55.05514	23.7
56.05036	2.4
56.05819	2.1
57.03429	5.7
59.05014	11.2
61.02917	5.2
62.52218	2.1
67.05513	16.5
69.03432	23.3
69.07068	11.7
69.43871	17.5
70.06603	16.5
71.04986	5.7
72.08169	11.5
73.02893	2.8
77.52618	2.2
79.05507	11.7
81.03431	13.0
81.06640	3.0
81.07060	25.4
83.04990	29.8
83.08618	7.8
84.08157	10.9
85.02910	64.5
85.06525	5.5
86.09691	7.7
87.04491	5.7
91.05466	13.6
93.07034	14.1
95.04971	36.7
95.08624	15.3
96.99658	2.5
97.02911	19.3
97.06506	4.1
98.97605	2.6
99.04470	3.9
101.06053	13.1
105.07027	16.2
107.04941	7.5
107.08618	16.0
109.02882	6.7
109.06531	13.4
109.10178	15.6
111.04415	5.1
111.08102	3.9
112.11215	2.3
113.07098	2.6
115.05404	2.4
117.06968	2.8
119.04951	4.2
119.08586	13.1
120.08121	7.0
121.06530	5.6
121.08460	2.6
121.10183	14.1
123.04402	2.7
123.08086	5.9
123.11687	6.3
125.05929	2.9
126.05457	2.4
127.03939	11.0
127.49330	2.4
129.07056	4.5
131.08545	7.9
133.06537	2.9
133.10101	6.1
133.76472	2.6
135.08075	13.6
135.11702	12.8
137.09618	4.7
145.04915	3.8
145.10118	13.2
147.04414	6.0
147.11668	7.7
149.09634	3.2
155.08545	2.7
157.10121	3.1
158.41946	2.2
159.08043	6.6
159.11711	6.0
161.09625	3.7
161.13243	4.4
163.07579	3.5
163.11203	10.9
165.09209	2.3
165.12764	83.4
171.11699	3.7
173.09680	4.3
177.09119	6.8
187.14833	7.4
189.12849	5.3
191.10657	10.1
191.14262	5.5
203.62531	2.4
205.15875	7.7
229.15854	6.9
231.17226	2.9
247.16924	39.7
265.17996	100.0
287.35892	2.5
409.22272	2.9
427.17444	4.3
427.23370	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	427.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.6
55.01867	4.0
55.05515	21.6
57.03436	6.4
59.05001	4.0
59.30814	1.1
61.02930	8.1
63.08379	1.2
67.05494	4.7
67.53873	1.3
69.03085	1.7
69.03435	22.4
69.07070	8.0
69.24702	11.8
70.06583	5.4
71.04978	4.1
72.08147	3.9
73.02909	2.9
79.05483	5.4
81.03423	9.9
81.07053	8.5
83.04991	27.1
83.08610	4.6
84.08152	4.1
85.02907	54.1
85.06525	1.9
86.09733	2.9
87.04467	5.0
91.03954	2.4
91.05473	8.9
93.07034	10.2
95.04973	36.7
95.08606	9.2
97.02900	16.8
97.06480	1.3
98.20833	2.4
99.04456	4.8
101.06029	17.0
105.07027	12.1
107.04974	1.6
107.08590	13.8
109.02864	4.5
109.06525	13.3
109.10155	9.5
110.07213	1.6
111.04443	3.0
117.07011	3.0
119.04912	2.1
119.08578	9.1
119.71133	1.2
120.08110	2.7
121.06519	4.1
121.10151	9.3
121.47556	1.2
123.08063	4.2
123.11711	4.1
127.03924	8.0
129.06883	1.2
131.08591	6.2
133.10133	5.5
135.08043	11.1
135.11697	8.8
137.06001	1.4
137.09726	1.4
137.13326	1.3
139.07545	1.5
143.08595	2.2
145.04953	6.8
145.10129	12.3
147.08006	1.6
147.11691	10.1
149.09650	5.5
151.07535	1.7
157.10139	2.2
159.08041	4.2
159.11700	4.4
161.09604	2.2
161.13277	3.9
163.11179	8.5
163.14914	1.3
165.12761	81.8
171.11667	3.7
173.09608	3.3
173.13177	2.0
175.14796	2.6
177.09129	8.0
177.12817	2.3
177.16280	1.9
185.13245	1.7
187.14865	5.4
189.12737	5.9
191.10715	8.3
191.14311	1.9
198.31691	1.2
201.16315	1.7
205.15894	9.5
219.17439	2.1
229.15869	5.6
231.17349	1.4
235.16965	1.9
247.16946	45.7
265.17996	100.0
409.22449	1.4
427.23294	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	427.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
55.05504	1.7
55.63232	0.5
56.05032	1.4
57.03449	1.0
57.04582	0.5
57.05807	0.5
67.05492	0.7
69.03423	1.2
69.07070	0.6
69.51452	3.1
70.06602	13.9
71.04990	0.8
71.06927	0.8
72.08163	16.3
73.08478	0.8
74.06065	0.9
79.05487	0.9
81.03433	0.8
84.04527	3.4
84.08154	9.3
85.02919	1.5
86.09312	0.5
86.09724	5.9
87.10066	0.6
89.10842	0.7
91.05470	2.2
92.05791	0.7
94.04068	0.9
95.04963	0.9
95.06098	0.8
97.02863	0.8
98.06022	1.0
98.21431	1.2
100.07652	0.8
102.05537	0.7
103.05471	0.8
105.07037	0.7
110.07179	1.6
115.08646	0.8
116.07143	3.0
118.08669	2.5
119.04977	3.0
120.05281	1.8
120.08114	4.6
123.04441	1.1
129.10255	4.7
130.05034	0.9
135.04424	0.5
136.06155	0.7
136.07608	1.1
145.02873	0.6
147.04420	10.6
148.04778	7.9
150.07764	100.0
151.08148	0.6
162.02171	0.7
163.04030	0.6
166.08607	0.8
174.46236	0.5
177.05473	0.8
214.83324	0.7
218.17944	0.6
265.12759	1.0
295.11536	18.7
367.10831	0.7
377.20657	3.8
395.21860	1.8
427.13675	0.8
427.19104	4.0
427.24438	0.9
446.12961	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3784
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
50.80936	2.0
53.03949	2.9
55.05519	12.7
57.07080	6.2
57.39463	1.8
60.49707	1.9
67.05513	24.1
69.07077	24.6
69.35149	10.0
69.35577	5.6
71.08650	4.0
79.05503	14.0
81.07068	46.0
83.08640	10.7
86.09731	3.1
89.06042	4.1
91.05464	9.0
93.07054	30.1
95.08619	84.1
97.06526	2.5
97.10179	4.6
105.07037	17.6
107.08604	44.6
109.06534	2.1
109.10165	52.1
111.08112	3.5
111.11729	6.5
119.08585	25.9
121.10155	37.8
123.08090	2.6
123.11714	24.7
130.15924	5.3
131.08597	5.7
133.10149	19.6
135.08070	2.5
135.11693	28.9
137.13271	18.0
143.08549	2.9
144.09454	2.0
145.10219	9.5
147.11690	17.5
149.13274	15.1
151.14880	2.5
159.11691	9.9
161.13255	14.5
163.14853	13.6
173.13235	9.1
175.14856	8.4
177.16383	9.7
179.14374	4.8
184.07367	5.4
185.13329	1.9
187.14876	7.3
189.16432	10.4
191.17958	25.7
199.14844	2.2
201.16479	5.3
203.17976	16.7
205.19475	10.1
207.17419	3.8
213.16563	2.8
215.17949	10.3
217.19614	6.6
219.17555	2.1
229.19633	5.3
231.21165	4.6
233.18988	4.6
243.21132	8.5
245.22708	7.9
247.20714	12.8
255.21188	3.2
257.22733	2.3
259.24295	3.6
261.22107	4.0
269.22684	4.5
271.24353	6.8
283.24323	3.7
285.25839	3.3
407.36777	21.9
425.37903	100.0
426.38266	4.7
439.85944	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	426.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.5
56.05040	0.5
56.96595	0.4
60.04530	0.5
65.03941	0.8
68.58323	0.3
69.03426	0.8
69.76820	1.7
70.06597	7.6
70.97377	0.3
71.06929	0.4
72.08160	6.1
73.08458	0.3
74.06079	0.4
78.43057	0.3
81.03419	0.5
81.07055	0.4
84.04513	2.1
84.07648	0.4
84.08147	5.0
85.02913	1.6
85.08459	0.3
86.09707	3.8
87.04491	2.0
87.05583	0.4
91.05479	6.4
95.04983	0.3
95.06068	0.4
97.02892	0.5
97.06593	0.3
98.06048	0.4
98.21484	0.7
100.07613	4.0
103.05458	0.4
110.07159	0.9
112.08726	0.5
112.11214	0.4
115.08740	0.4
116.07102	0.5
118.07807	0.3
118.08665	12.1
119.04947	17.9
120.05283	0.4
120.08104	1.6
121.77705	0.3
123.04435	1.0
127.03928	0.7
129.10237	2.5
130.10632	0.4
135.04414	0.4
136.05275	0.3
136.06165	1.4
136.07597	0.5
141.10243	0.3
145.06102	0.3
147.04417	100.0
148.04773	1.6
163.03906	0.4
173.12891	0.5
177.05418	0.3
213.12309	0.3
245.11195	0.5
264.12341	8.3
309.09802	1.0
381.24408	0.3
394.20569	0.9
408.16415	0.4
408.22400	0.5
417.15543	0.3
419.33774	0.3
426.17337	1.6
426.24274	0.7
427.13083	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3418
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.03939	1.4
55.05516	15.2
56.29649	0.9
57.07087	5.3
67.05510	9.4
69.07076	28.7
71.08635	4.0
71.37231	1.4
79.05497	10.1
81.06593	1.7
81.07065	29.0
82.18328	0.9
83.04977	1.1
83.08624	10.9
86.09714	2.9
88.40912	1.0
88.86443	1.0
91.05479	7.5
93.07052	14.2
95.04993	1.6
95.08618	17.8
97.06516	3.1
97.10168	7.0
99.04451	1.3
105.07036	13.2
107.08606	12.8
109.06534	10.5
109.10176	9.4
111.11737	1.9
117.07005	1.9
119.08583	7.4
121.06514	3.1
121.10172	6.1
123.04441	1.4
123.11734	5.8
123.43259	1.2
131.08583	3.6
133.06512	1.6
133.10156	11.3
135.08043	1.2
135.11674	8.7
137.05995	17.7
137.13234	3.2
143.08553	2.0
145.06590	1.1
145.10098	5.3
147.08067	3.1
147.11725	4.6
149.09680	1.4
149.13261	3.4
151.14803	1.3
155.08562	1.1
157.10124	3.3
159.08092	2.8
161.09627	4.2
161.13284	10.1
163.07574	2.6
163.14835	2.1
173.09622	5.5
173.10870	1.0
175.07555	1.9
175.14839	4.4
177.09099	2.1
183.11736	1.2
184.07387	3.3
187.11247	1.2
189.09143	8.3
189.16447	2.5
191.10672	3.5
199.14909	1.3
203.10733	1.5
213.12868	1.2
217.12309	1.0
218.99475	1.0
229.12305	1.5
231.13763	1.3
243.13937	1.5
269.18958	1.2
273.25885	5.5
285.18661	1.4
301.25250	6.1
313.21616	2.3
315.23288	1.8
327.23264	4.4
341.24594	1.2
391.60907	1.0
416.23557	1.1
425.34174	100.0
426.34546	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	425.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.9
55.01867	3.8
55.05517	68.1
55.21724	3.3
57.07073	12.9
63.22188	2.9
67.05510	34.5
69.07073	100.0
71.08659	5.6
71.51024	5.3
75.40337	3.0
79.05491	24.3
80.11268	3.1
81.07069	54.6
83.04998	4.2
83.08627	48.3
85.10199	5.9
86.09695	14.4
89.06053	6.2
89.61991	2.9
91.05476	16.3
93.07053	31.0
95.04992	4.7
95.08615	64.9
95.09183	5.3
97.06516	4.9
97.10181	34.3
102.39850	3.2
105.07040	27.4
107.04993	11.7
107.08605	31.6
109.06526	10.5
109.10164	53.5
109.66190	2.7
111.08033	2.8
111.11731	13.6
112.41999	2.7
117.07013	6.3
119.08577	26.5
121.06506	22.8
121.10143	28.6
123.08128	8.9
123.11699	16.1
125.06004	4.5
129.07013	4.3
131.08546	15.0
133.06497	5.6
133.08598	3.7
133.10176	25.4
134.97469	4.1
135.08070	6.8
135.11716	25.1
137.06006	13.5
137.13261	9.6
139.14888	2.8
143.08592	8.8
144.47597	3.2
145.10144	17.9
147.08063	13.8
147.11644	16.1
149.09668	7.1
149.13271	12.5
149.30670	2.9
151.14848	3.5
155.08588	4.7
157.10146	9.1
159.08041	10.0
159.11722	12.4
161.09625	7.2
161.13249	15.4
163.11273	3.8
163.14848	9.1
169.10089	4.4
171.08023	14.1
171.11662	6.0
173.09624	18.2
173.13324	9.4
175.11195	7.9
175.14798	11.0
177.12715	3.1
177.16464	5.6
181.10217	3.8
183.11713	5.5
184.07382	10.8
185.09563	5.1
185.13330	6.7
187.11247	8.5
187.14856	3.1
189.12758	4.4
189.16422	8.2
191.10722	5.7
191.18007	5.2
195.11717	3.5
199.14809	7.3
201.12764	5.3
201.16396	8.2
203.18156	3.0
209.13469	2.9
213.12660	6.9
215.17970	4.2
217.15936	3.0
227.14383	5.6
241.15822	5.0
245.18962	3.5
251.18022	5.0
252.44890	2.9
253.19601	3.2
257.98093	3.2
269.18991	9.0
273.25674	3.0
283.20685	5.5
287.20044	4.9
295.20645	7.5
299.20218	3.9
309.22119	8.1
313.21661	22.9
315.23184	5.6
327.23297	12.1
350.08939	2.8
397.34808	3.9
407.33115	6.2
425.33972	60.3
426.34787	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	425.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60318	3.8
55.01849	5.3
55.05509	37.2
57.07067	15.0
62.97606	3.6
65.03940	6.1
67.05190	4.9
67.05512	81.1
69.03439	28.0
69.07072	41.7
69.55853	29.2
69.83199	4.6
71.04991	6.0
71.08624	7.9
73.02925	4.5
76.45553	4.0
76.46219	4.2
76.67842	3.7
79.05505	44.9
81.03431	35.2
81.07060	100.0
83.04983	9.8
83.08628	19.8
85.02908	22.1
85.06538	4.3
86.09717	7.7
86.49657	4.0
89.06059	7.6
91.05486	28.7
93.07051	56.7
95.04960	12.0
95.08618	75.9
97.02889	11.5
97.06555	6.0
97.10159	12.6
99.04462	5.0
99.08115	4.6
99.29237	4.1
105.07024	30.3
107.04970	5.4
107.08604	31.7
109.02920	7.4
109.06566	5.4
109.10157	33.1
111.04439	6.6
111.08087	5.9
117.06998	13.7
119.08590	30.4
121.06528	9.7
121.10149	26.4
123.04445	4.6
123.08088	6.8
123.11700	14.1
124.99944	5.3
125.06094	3.9
125.09679	4.2
127.03946	7.5
129.06973	4.1
131.08583	17.0
133.06488	4.3
133.10144	19.6
135.08051	6.8
135.11691	17.2
137.09605	4.2
137.13245	7.3
139.11143	5.1
143.08578	10.6
145.10091	11.8
147.08060	5.4
147.11679	14.7
149.09630	5.5
149.13303	12.6
151.11154	4.2
151.14803	4.6
159.08177	4.3
159.11732	11.0
161.13297	11.3
163.14838	8.2
165.12752	4.7
169.10175	4.3
171.11668	5.1
173.13263	10.0
175.11125	5.6
175.14815	8.0
177.12825	6.4
179.14325	5.3
184.07387	21.9
185.09389	4.2
185.13261	8.5
187.14902	4.9
189.16328	5.5
199.60509	4.8
202.71321	4.0
205.12265	5.5
245.22380	5.9
254.95131	3.7
257.16528	3.9
263.23657	7.9
267.67703	3.9
275.23587	6.9
289.17990	5.7
293.24792	6.1
303.22974	6.8
305.24603	5.4
340.41107	4.7
347.25525	5.1
371.25873	22.5
389.27051	20.3
407.28339	19.9
425.29034	5.9
425.37930	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	425.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.3
55.01872	11.1
55.05511	44.2
56.50050	4.8
57.07075	13.1
59.05013	4.9
61.92262	4.6
67.05178	8.2
67.05507	100.0
69.03436	31.2
69.07076	33.3
69.55922	34.1
71.04983	5.2
71.08627	7.2
77.89838	4.9
79.05494	41.2
81.03430	41.4
81.07056	86.9
83.04989	10.7
83.08610	26.0
85.02898	17.8
85.10147	6.0
85.26655	5.0
87.04466	6.8
89.06005	8.3
91.05496	35.7
93.07056	48.7
95.04963	19.0
95.08608	83.0
97.02878	16.4
97.10165	12.1
99.04432	6.4
105.07026	44.2
107.05037	5.0
107.08577	37.9
109.02867	7.9
109.06530	12.6
109.10165	36.4
109.10821	6.7
111.04439	7.4
117.07005	19.9
119.08586	28.4
121.06518	16.4
121.10131	23.9
123.08070	5.3
123.11703	21.2
126.05454	5.2
127.03922	8.8
129.06953	10.4
131.08553	18.4
133.08601	7.7
133.10144	21.1
135.08031	6.5
135.11702	21.0
137.13286	6.8
143.08585	7.2
145.04858	5.1
145.10098	14.4
147.07939	7.2
147.11673	13.7
149.09543	6.6
149.13222	12.8
157.10114	6.4
159.11693	11.6
161.13304	9.9
163.14813	10.5
171.11574	8.6
173.13295	6.1
175.14816	10.4
177.12717	6.6
184.07356	7.3
185.09653	5.4
185.13210	6.2
187.14961	7.0
189.16522	7.5
207.13774	7.3
218.37727	5.2
257.26089	5.6
261.22192	5.2
271.17044	5.4
272.20633	5.6
291.22946	7.2
293.24878	11.2
315.23175	5.3
321.24423	6.3
332.85742	5.4
347.26004	6.6
353.24701	8.2
371.25806	22.5
389.26859	23.8
407.28351	13.2
425.28641	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	425.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84219	0.8
52.42918	0.8
55.36583	0.9
58.62300	0.8
70.06597	1.3
70.65355	2.9
76.18182	0.9
82.99870	3.1
87.18612	1.3
94.99827	1.1
101.00893	21.2
111.18799	0.9
113.00878	5.8
118.08684	1.0
119.01155	1.5
119.01939	17.7
127.02412	3.6
131.01904	8.0
131.93646	1.0
139.02437	2.2
143.01909	45.5
145.03470	7.8
155.01903	17.2
156.04239	5.0
157.03490	4.6
161.02977	36.5
167.01901	14.0
169.03477	3.7
171.05066	1.5
173.02982	15.8
175.04597	1.1
179.01917	5.3
179.43979	1.0
181.03500	1.1
185.02969	31.7
187.04546	3.8
191.04004	4.0
197.02991	12.1
203.04030	14.3
205.99583	0.9
209.02983	1.3
215.04002	6.9
221.05191	1.4
227.03995	7.9
245.05096	100.0
246.05118	1.9
257.05042	5.1
263.06146	24.1
275.06140	11.9
293.07300	2.0
305.07251	9.9
335.08176	4.0
365.09396	4.2
425.11545	3.7
435.48264	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69466	0.2
71.49249	0.3
72.95124	0.3
98.97550	0.7
101.00882	0.3
115.13357	0.3
119.01860	0.3
120.96947	0.3
137.96994	0.3
143.01860	0.4
161.02914	0.4
177.01030	0.4
180.96854	0.8
185.02940	0.3
192.99020	1.4
198.97871	1.8
216.98972	7.6
217.98923	0.5
219.01996	0.6
220.02374	0.3
222.46471	0.3
222.97841	2.4
225.93739	0.3
230.55385	0.3
235.00027	12.8
236.00017	0.7
240.98959	14.0
241.98932	0.7
243.01956	0.4
245.05051	0.8
249.98843	0.4
253.01004	1.6
255.97697	0.4
259.00031	48.1
260.00034	3.8
261.00275	0.6
261.03171	1.1
263.02881	0.8
264.02869	0.6
264.98825	2.9
273.98700	2.0
277.01086	23.8
278.01202	2.4
283.00015	100.0
284.00122	8.6
285.00140	0.9
285.99860	0.4
291.99802	1.3
301.01080	93.0
302.01172	8.3
303.00891	0.8
319.02106	2.5
322.98120	0.5
324.02612	1.3
334.92593	0.4
359.00018	1.2
364.99350	1.0
365.98978	0.3
383.00375	1.1
396.76175	0.3
400.93130	0.4
401.01318	4.1
402.01413	1.6
407.00015	5.7
408.00485	0.4
408.92020	0.3
418.94775	0.6
425.01193	54.1
426.01227	5.5
427.01224	0.5
443.02280	87.9
444.02448	8.3
445.02148	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2851
Annotation	Antibiotic BE 14106
Peak:m/z	Relative Intensity
53.03931	1.9
55.05503	5.5
65.03941	2.0
67.05507	10.6
68.05038	15.7
69.07071	4.6
70.06602	35.9
71.23963	2.2
74.55696	1.2
77.03935	1.7
78.66538	1.3
79.05505	15.3
80.05013	5.3
81.07069	19.4
82.06579	4.5
83.04986	1.7
84.08157	1.7
91.04982	1.8
91.05494	22.9
92.25036	1.3
92.63958	1.1
93.07065	20.0
94.06564	2.6
94.07395	1.2
95.04984	40.2
95.08631	7.4
96.08145	7.6
97.06535	2.1
98.06085	2.3
100.07629	28.7
103.05455	1.5
105.07041	45.1
107.08586	11.8
108.08144	9.8
109.06478	1.9
109.10181	6.7
114.05554	8.7
116.06320	1.3
116.07079	3.1
117.07034	14.5
119.08594	40.6
120.08129	6.5
121.10163	16.3
122.09666	4.0
123.11718	1.3
126.09172	1.9
128.06226	6.2
128.07091	36.3
128.08035	1.3
129.07022	13.4
130.07823	8.7
131.08572	23.2
132.08130	2.2
133.09172	1.5
133.10150	10.4
134.09665	5.6
135.11696	3.4
137.09682	2.3
138.57692	1.4
141.07007	3.5
142.07713	6.7
142.08720	7.5
143.08566	27.5
144.09344	3.3
145.10138	63.9
146.09657	2.9
147.11673	2.4
148.11229	24.5
149.12048	2.4
154.08664	42.6
155.08609	2.7
156.09340	8.1
157.08974	1.9
157.10167	16.2
158.09607	1.8
159.11653	7.2
160.11229	3.0
161.09645	1.8
162.12828	4.0
164.07109	6.8
165.09106	2.1
168.10201	4.8
169.10172	9.7
170.10931	1.7
171.11697	16.5
172.11240	2.1
173.13304	13.2
174.12811	3.1
175.14929	1.8
178.08662	5.5
180.10350	2.8
181.10097	2.9
183.11729	3.0
184.11237	1.4
185.13347	2.5
186.12810	2.8
187.14873	3.9
192.10233	9.3
192.11676	1.3
193.10289	1.4
194.11804	76.7
195.11877	2.8
197.13354	2.9
198.12567	1.2
199.14861	4.8
201.16418	2.7
206.11720	1.7
209.13307	4.2
212.14427	1.5
212.16338	1.4
214.15982	1.4
218.11786	5.4
219.12549	2.4
220.13316	3.4
226.15909	1.5
232.13301	1.6
240.17505	3.6
245.65477	1.3
256.19144	3.4
258.14853	2.0
260.16287	1.5
270.14990	3.3
284.16562	5.3
285.17294	2.5
286.18021	26.1
291.21201	2.2
314.21176	54.5
332.22211	5.9
406.27466	79.9
407.27762	2.8
414.72235	1.4
424.28491	100.0
425.28699	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	424.2835
Annotation	Antibiotic BE 14106
Peak:m/z	Relative Intensity
50.28286	1.2
53.03945	2.1
55.05510	4.2
55.25581	1.2
56.05029	1.5
57.07067	1.2
59.04996	1.5
59.73224	1.2
63.34387	1.4
65.03974	1.3
67.05504	7.3
68.05033	12.6
69.07059	4.9
69.55916	6.1
69.56335	2.9
70.06596	28.8
79.05510	12.7
80.05027	5.1
81.07067	14.1
82.06584	5.4
85.06526	1.2
91.05493	16.0
93.07053	20.2
94.06545	1.6
95.04983	15.4
95.08614	8.7
96.08124	6.8
98.06023	2.1
98.21510	2.4
100.07000	1.4
100.07628	20.9
103.05485	1.3
105.07046	35.3
107.08611	12.3
108.08137	7.5
109.10161	7.6
114.05538	7.9
114.09187	1.4
115.05412	2.1
116.07111	3.6
117.07009	10.1
119.08598	32.1
120.08107	5.1
121.06546	1.4
121.10161	8.9
122.09669	3.2
126.09172	1.8
128.06236	4.7
128.07088	23.7
129.07021	8.7
130.07784	5.4
131.07217	1.2
131.07527	1.6
131.08575	21.3
131.91237	1.3
133.10141	13.0
134.09622	2.7
135.08102	1.6
135.11700	3.9
140.07057	2.4
141.07016	2.0
142.07735	5.1
142.08685	9.4
143.08583	17.0
144.09375	2.8
145.10141	36.0
146.09668	3.4
147.11705	3.2
148.11203	11.4
149.09618	1.6
154.08662	34.9
155.08549	5.3
156.09352	5.3
157.10138	12.6
158.10912	3.1
159.11766	7.2
160.11316	2.2
161.09692	2.2
161.13261	1.6
162.12766	1.9
164.07088	4.9
166.08667	1.8
168.10303	8.5
169.10088	7.1
171.11705	9.6
173.11984	2.0
173.13304	14.4
174.12856	4.9
175.14812	1.9
178.08696	3.8
179.08554	3.0
181.10184	1.7
183.11707	4.5
184.12469	1.6
185.13266	2.9
186.12793	3.2
187.14839	2.1
192.10263	5.0
193.10155	1.5
194.11806	34.8
195.11826	3.6
197.13319	1.3
199.14836	7.4
201.16411	1.9
207.11795	1.8
209.13264	5.6
211.14713	1.5
216.10243	2.0
218.11801	4.9
219.12534	1.6
220.13335	4.4
221.13377	1.3
223.14767	2.8
230.11797	2.1
232.13432	2.4
235.14894	2.5
237.16417	1.7
244.13194	1.3
254.69926	1.4
265.19489	2.9
270.14999	2.5
284.16492	2.1
285.17126	1.3
286.18060	10.8
302.17542	1.6
314.21167	24.9
332.22220	74.0
333.22586	1.6
406.27487	38.9
407.28250	1.3
422.81924	1.3
424.28528	100.0
425.28909	4.7
426.63776	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	424.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66434	0.5
53.11150	0.5
55.01870	0.9
55.05505	0.9
56.05030	3.6
58.99575	0.8
65.03966	0.6
65.43472	0.6
67.05476	0.6
69.07076	1.1
70.02960	0.6
70.06602	9.5
71.49762	0.8
72.08160	9.9
73.08498	0.8
74.02475	0.8
75.73286	0.6
79.05454	0.5
84.04510	25.6
84.08151	7.7
85.02911	1.7
86.06060	0.7
86.09710	47.2
87.10052	0.8
91.05486	14.3
93.07037	0.6
95.06078	1.1
96.04477	0.8
97.06487	1.0
98.06071	1.0
99.05576	1.5
100.02210	0.9
102.05550	9.0
107.04938	3.5
110.07201	1.0
112.08770	0.8
112.11298	1.1
113.17075	0.6
116.07079	0.8
118.06545	0.8
119.04946	10.7
120.08111	5.5
121.06512	1.5
121.08457	2.5
121.83040	0.6
123.04437	1.0
125.07130	1.0
126.05492	0.5
129.10263	3.5
130.05028	1.3
132.10216	33.7
135.06831	2.5
136.07588	100.0
137.07944	1.8
145.06113	1.8
146.02708	1.3
146.06036	0.7
147.04416	2.4
153.06580	1.9
160.07605	0.6
163.03969	0.9
174.09088	1.1
184.07478	0.7
199.07213	0.6
202.08655	13.8
220.09698	4.8
247.10817	26.1
249.16014	0.9
265.11847	27.2
275.10251	5.2
279.10626	0.6
293.11414	4.3
295.16513	4.6
351.73450	0.6
406.12149	0.7
424.16614	2.3
424.22549	1.1
425.13873	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	423.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.1
55.01884	2.3
55.05521	13.4
56.05014	1.4
57.07059	2.2
59.05002	1.1
61.34576	1.2
65.03922	1.8
67.05513	18.6
69.03444	6.0
69.07074	13.2
70.06595	11.1
71.05006	2.5
71.49952	1.2
71.50394	1.8
72.08154	8.8
72.93805	1.6
73.79799	1.2
77.03942	1.7
79.05502	20.2
81.03401	1.4
81.07060	43.9
83.04993	8.2
83.08637	7.6
84.04503	2.6
84.08129	8.3
85.02916	7.6
85.06535	1.5
86.09691	8.9
91.05481	26.5
93.07051	41.4
95.04996	3.3
95.06105	4.0
95.08613	52.1
95.41796	1.2
97.02865	1.5
97.06541	4.8
97.10181	3.9
99.65878	1.3
103.05455	3.4
105.04579	1.5
105.07040	55.8
106.07323	1.7
107.04955	2.0
107.08601	51.8
108.64665	1.5
109.06528	5.2
109.10161	33.3
111.08109	5.6
111.11698	1.3
112.08752	1.4
113.96371	3.9
115.05458	1.6
116.07073	1.6
117.07032	8.3
119.08590	47.7
120.08115	5.8
121.06521	2.6
121.10151	48.2
123.08078	4.8
123.11717	16.4
125.09648	5.4
127.03915	2.1
128.04245	1.3
128.06244	4.4
129.06999	10.9
129.10226	4.5
130.07762	1.4
131.08577	30.6
131.97421	1.6
133.09123	2.2
133.10138	41.0
135.08055	3.4
135.11705	20.5
137.09616	3.4
137.13260	3.0
138.06624	3.6
139.11171	1.9
141.07014	5.4
142.07799	4.6
143.08574	25.3
144.09349	2.6
145.06447	1.6
145.10135	38.7
147.08052	2.0
147.11694	21.2
149.09660	3.6
149.13289	16.1
151.11179	5.0
153.06984	1.5
154.07835	3.9
155.08574	15.1
156.09367	5.8
157.10141	17.0
158.10864	2.8
159.08061	1.9
159.11703	28.6
161.09567	1.7
161.13268	17.1
162.10393	2.0
163.11147	3.1
163.14851	9.7
165.12788	4.0
165.16437	2.3
167.07196	1.2
167.08586	4.3
168.09410	2.3
169.10141	39.8
170.10878	4.1
171.11702	39.2
173.09689	2.2
173.13280	26.4
175.14833	17.9
177.12776	4.2
177.16405	8.2
179.14339	3.4
181.10167	4.8
182.10909	4.0
183.11676	15.3
184.12608	2.1
185.13272	29.0
187.14830	25.5
189.12799	3.9
189.16397	9.2
191.14319	15.2
191.18062	2.5
193.15872	6.2
195.11758	8.0
196.12556	2.0
197.13249	20.0
198.13866	1.7
199.11031	1.4
199.14828	21.6
200.15578	2.7
201.12755	6.6
201.16373	18.2
203.14314	13.5
203.17970	4.9
205.15904	15.1
207.11658	1.5
207.17499	1.8
208.12547	1.9
209.13268	9.8
210.13983	1.7
211.14832	59.1
212.15547	2.8
213.16414	21.3
215.14359	5.6
215.17976	7.0
217.15918	9.5
217.19350	1.7
219.13741	3.4
219.17506	7.0
221.13321	2.6
223.14828	8.7
225.16469	8.0
227.12639	1.6
227.17960	3.1
229.15883	46.5
229.19478	2.9
230.16675	23.7
231.11240	1.5
231.17462	25.0
233.19022	2.7
235.14873	3.2
236.15724	1.7
237.16353	7.5
239.17940	15.2
241.19502	4.8
243.17514	3.3
243.21259	1.7
245.19115	3.0
247.20670	1.6
249.16449	1.9
250.17216	2.1
251.18011	5.1
253.19572	6.1
255.21191	1.7
257.19046	10.7
259.20514	7.3
263.18036	2.0
265.19534	27.0
267.21085	10.9
269.19040	3.1
271.20648	5.9
277.19537	2.4
279.21155	6.3
281.22794	1.5
283.20599	27.2
295.20609	1.5
297.22156	5.2
303.21121	1.5
311.23590	2.0
317.22806	1.7
321.26086	1.3
331.24200	2.1
375.30676	1.8
377.32068	2.3
387.30441	11.7
393.31375	11.9
395.33267	1.5
405.21039	1.8
405.31537	46.2
423.20197	4.1
423.32608	100.0
424.33084	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	423.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.7
55.05524	11.9
57.03433	4.3
57.07075	1.5
59.04969	1.5
61.67656	1.2
65.03946	1.6
67.05508	11.1
69.03438	4.7
69.07072	10.2
69.41348	1.0
70.06593	4.0
71.05001	2.5
71.50779	1.9
72.08150	3.8
79.05497	11.1
81.03437	2.5
81.07055	20.7
83.04990	2.5
83.08625	3.6
84.08144	5.0
85.02899	2.0
85.06554	1.6
86.09718	1.9
91.05482	12.4
93.03435	1.2
93.07044	11.8
95.04980	3.1
95.06072	1.6
95.08610	17.3
97.06544	3.4
97.10174	6.7
99.08169	1.4
103.05495	1.7
105.07042	15.3
107.08596	40.1
109.02892	2.0
109.06461	1.6
109.10170	14.3
115.05458	1.7
117.07023	3.2
119.08579	8.1
121.06508	2.3
121.10152	7.5
123.08080	4.6
123.11716	5.2
125.09637	40.0
127.11256	1.4
128.06235	3.0
129.06999	16.9
131.08565	8.7
133.10143	9.7
135.11670	7.3
135.41901	1.5
137.09645	2.4
137.13239	5.9
139.11214	2.5
141.07001	5.5
142.07782	22.6
143.08568	7.5
145.10117	7.8
147.11696	3.7
149.09607	1.3
149.13261	1.8
151.11195	5.2
153.07008	3.3
153.12733	11.1
153.13832	1.6
155.08560	42.6
155.14296	4.2
157.10132	100.0
158.10516	1.6
159.11720	7.6
161.13286	3.6
163.14830	1.6
165.07002	3.5
165.09108	5.7
167.08549	3.2
169.10135	5.7
171.11710	9.2
173.09680	3.2
173.13297	3.0
175.11346	1.4
175.14854	1.7
179.08551	2.9
180.09230	1.2
181.10092	5.7
183.11711	13.9
185.13255	4.5
187.14870	2.6
193.10156	1.8
194.10912	1.9
195.11713	10.7
197.13297	8.2
199.11038	1.3
199.14806	2.1
205.19284	1.3
207.11726	4.6
209.13234	11.6
211.14804	8.5
215.14322	1.3
219.11725	1.9
221.13287	3.8
223.14839	4.3
225.16501	1.9
233.15430	1.7
235.14827	3.0
237.16397	1.8
245.85258	1.3
247.14807	1.7
249.16406	10.5
251.18021	14.7
252.18350	1.3
253.19540	4.8
267.17511	8.4
269.19107	6.0
277.19525	2.6
281.22562	5.8
289.19635	2.0
291.21078	9.7
309.22104	6.7
321.22144	1.9
387.30414	2.0
405.31390	5.7
423.19852	3.5
423.24432	2.4
423.32657	27.2
424.32944	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	423.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
55.01880	2.1
55.05519	9.4
57.03428	3.3
57.07078	3.8
67.05516	16.1
69.03433	3.4
69.07078	15.0
71.04987	3.3
71.08640	1.9
72.08201	0.9
79.05493	9.4
81.03432	2.8
81.07066	20.4
83.04988	2.4
83.08634	4.2
85.02901	1.9
85.06583	1.2
89.06054	1.2
91.05492	8.8
93.07055	13.2
95.04971	2.1
95.08617	18.3
97.02247	1.1
97.06551	2.7
97.10179	2.8
98.20736	2.4
99.08134	1.2
105.07050	9.3
107.08612	11.9
109.06521	12.9
109.10175	9.7
110.27625	0.9
111.08088	3.3
117.07034	2.4
119.08578	10.3
121.10175	8.3
122.07335	1.2
123.08080	62.8
123.11747	2.9
124.08396	1.6
125.09681	1.1
129.07037	1.6
131.08615	4.7
133.10138	8.1
135.08072	12.1
135.11703	4.7
137.09618	3.0
143.08542	1.4
145.10139	4.7
147.11697	5.5
149.09637	3.4
149.13304	4.7
151.11230	1.6
151.14822	1.0
157.10081	1.6
159.11737	4.6
161.13297	3.2
163.11195	1.2
171.11850	1.2
173.13297	2.9
175.14888	3.4
177.12788	5.1
179.14326	22.7
183.11722	1.4
185.13371	1.4
187.14775	1.4
191.14452	1.1
193.15930	1.1
198.84167	1.1
205.15939	1.1
221.15515	1.5
233.19072	1.3
244.01262	1.0
247.20618	1.7
259.04202	1.0
259.20633	1.2
263.20059	2.0
275.20126	6.8
277.21747	1.3
293.21194	3.9
303.23392	2.2
303.26913	5.7
313.25443	1.3
331.26352	39.1
349.27386	13.1
367.24893	3.4
405.30310	2.2
423.31119	100.0
424.31476	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	423.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
55.01871	4.2
55.05518	9.2
57.03437	2.9
57.07073	3.7
63.98272	0.9
65.03936	1.1
67.05507	22.1
69.03432	4.9
69.07072	13.2
69.40527	1.9
69.40936	7.6
71.04980	3.5
71.08643	2.5
73.02930	1.7
79.05492	13.4
81.03417	4.2
81.07066	24.8
81.89076	1.0
83.04979	1.4
83.08627	5.6
85.02904	1.2
85.06552	1.9
91.05488	9.3
93.07055	20.7
95.04963	1.9
95.08622	17.7
97.02900	12.0
97.06538	2.8
97.10210	1.5
98.21478	2.5
99.04460	7.4
105.07040	8.4
107.08592	12.9
109.02896	3.2
109.06528	14.6
109.10169	8.5
111.08097	2.2
117.07047	2.5
118.85548	1.2
119.08592	11.2
121.06516	2.2
121.10137	9.1
123.08082	54.0
123.11718	2.4
127.03919	6.6
131.08594	5.3
133.10121	6.9
135.08096	7.7
135.11728	6.0
137.09595	3.0
137.13251	1.2
144.09271	1.1
145.04987	1.7
145.10118	5.1
146.12030	1.0
147.11659	5.2
149.09647	3.2
149.13261	4.3
157.10028	1.2
159.11737	4.1
161.13269	3.3
163.14801	1.1
166.00255	1.0
167.14388	1.6
169.33366	1.0
171.11761	1.6
173.13280	2.1
175.14906	1.5
177.12761	3.7
179.14325	36.1
185.13376	1.4
187.14798	1.9
191.14403	1.1
205.15906	2.2
218.95404	1.1
233.19157	1.4
247.20552	2.0
261.22253	4.7
275.20129	3.0
293.21234	2.9
303.26834	4.1
313.25330	1.9
331.22369	2.0
331.26346	37.3
349.27411	9.6
354.01019	1.1
367.25070	3.3
405.30127	3.1
423.31097	100.0
424.31302	4.9
427.48224	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43139	1.0
53.03947	2.2
53.99480	1.0
55.01878	3.3
55.05510	9.7
55.20060	1.2
57.03434	3.4
57.07064	4.0
57.07309	1.1
57.84808	1.1
59.05011	1.4
64.01395	1.2
65.03934	1.6
67.05506	24.6
67.52429	1.0
69.03435	4.1
69.07076	10.9
69.63953	6.6
70.30907	1.2
71.04997	3.0
71.08604	1.7
79.05495	13.5
81.03419	3.6
81.07056	23.0
81.53770	1.1
82.26536	1.0
83.04970	3.5
83.08623	4.4
85.06537	2.8
88.59768	1.1
91.05462	8.5
93.07050	17.0
95.04968	4.5
95.08603	17.7
95.38174	1.2
97.02895	2.4
97.06528	4.8
97.10155	1.2
99.04451	2.6
99.08102	1.5
105.07040	12.0
107.08604	13.3
109.06519	16.3
109.10153	12.9
111.08083	4.8
117.07017	3.2
119.08582	10.7
120.75770	1.1
121.06541	2.9
121.10155	8.5
123.08073	54.8
123.11718	1.8
127.03925	2.0
129.07010	2.8
131.08504	6.4
133.10158	7.4
135.08064	14.6
135.11699	4.8
137.09641	5.1
137.13316	1.3
137.74069	1.2
142.07771	2.1
143.08543	2.5
145.10138	6.8
147.11682	5.1
149.09657	4.3
149.13298	5.2
155.08548	2.7
157.10135	4.4
159.08107	2.6
159.11723	6.7
161.09593	3.0
161.13289	3.2
165.12764	1.7
167.08633	1.2
169.10127	2.8
171.11682	2.6
173.09595	1.2
173.13277	2.2
177.12776	7.4
179.14314	33.5
179.15854	2.1
184.07436	1.9
185.09465	1.2
193.15903	1.8
197.13197	1.5
199.14740	1.4
205.15935	2.3
215.14566	1.5
247.20744	1.4
275.20059	5.5
303.26923	8.4
303.30249	1.5
311.59247	1.4
331.26321	44.5
349.27542	2.5
367.24835	3.7
423.31119	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.05513	9.9
57.03409	2.7
57.07065	3.5
65.03947	2.1
67.05511	35.0
69.03421	2.1
69.07066	15.5
71.50639	3.0
79.05500	19.6
79.49052	1.4
81.07060	32.6
82.62997	1.7
83.04965	3.3
83.08624	7.2
85.06538	2.0
89.06036	1.5
91.05485	22.9
93.07052	30.0
95.04968	8.2
95.08619	44.0
97.06530	18.2
97.10197	2.1
103.05471	2.0
105.07035	35.0
107.04926	2.8
107.08598	54.8
108.08940	1.8
109.06508	8.4
109.10161	53.0
111.04423	4.5
111.08099	11.4
113.06004	3.0
115.05462	4.7
117.07022	12.1
119.08595	26.7
121.06517	4.2
121.10168	25.4
123.08080	7.3
123.11720	13.1
125.06003	19.9
125.09645	10.7
127.07531	3.1
128.06213	9.4
129.07037	21.6
130.07779	2.1
131.08571	26.9
133.06479	2.4
133.10144	16.5
135.08040	5.8
135.11710	26.1
137.05991	1.8
137.09637	14.2
137.13255	3.4
139.07590	7.6
139.11247	2.5
141.07005	11.6
142.06758	2.6
142.07790	28.1
143.08574	39.2
144.09206	2.2
145.06445	1.9
145.10153	32.1
147.08047	3.8
147.11674	11.9
149.09676	3.6
149.13234	11.9
151.07535	3.5
151.11198	3.9
153.07011	11.9
153.09102	11.6
154.07762	7.1
155.08572	93.3
155.10548	17.3
156.09386	7.3
156.10822	1.4
157.10136	100.0
158.10828	2.9
159.08087	5.0
159.10469	2.3
159.11697	31.3
160.08945	1.8
161.09636	8.4
161.13251	5.5
163.11183	3.8
163.14818	3.3
165.07019	13.8
166.07739	7.0
167.08583	23.9
168.09367	7.5
169.10139	31.3
169.12267	1.8
170.10878	1.6
171.07985	1.7
171.11693	27.4
173.09596	6.0
173.13283	10.5
175.11197	12.0
175.14847	2.0
177.12704	4.3
178.07703	3.9
179.08553	18.3
180.09328	9.8
181.10130	37.8
182.10873	12.4
183.11705	58.8
185.13242	15.6
187.11169	4.8
187.14819	4.4
189.12709	4.3
189.16336	2.1
191.08473	2.5
191.14236	2.1
192.09348	5.0
193.10155	12.7
193.55685	1.6
194.10858	14.1
194.66331	1.6
195.11705	51.4
196.12413	5.5
197.13275	58.0
198.13774	2.2
199.11223	5.1
199.14893	10.4
200.94632	1.8
201.12776	8.6
201.16360	2.7
205.10086	4.4
206.10872	3.0
207.11723	22.2
208.12405	5.4
209.13268	95.5
210.13667	4.6
211.14835	23.0
213.12683	2.8
213.16344	2.4
215.14330	6.5
217.10019	2.7
217.15916	3.4
219.11754	4.3
220.12413	2.4
221.13264	14.1
222.14098	3.9
223.08469	1.5
223.14827	54.6
224.15244	1.8
225.12740	1.9
225.16432	10.3
227.14406	10.7
229.15868	3.9
233.13190	3.9
233.15378	2.8
234.13882	1.8
235.14859	20.4
236.15559	3.3
237.16362	25.0
239.14395	1.8
239.17892	2.2
241.16005	3.1
243.17462	2.7
247.14876	14.0
249.16403	18.2
250.17174	16.8
251.17981	59.9
252.18350	3.7
253.15842	2.4
253.19485	7.1
259.17227	1.7
261.16400	4.0
263.18005	10.2
264.18396	1.7
265.15860	4.7
265.19519	2.0
267.17456	4.8
268.18143	2.0
269.19000	20.4
275.17981	5.2
277.19568	18.2
281.19107	1.7
289.19495	5.7
291.21060	12.1
292.21841	6.5
294.71213	1.7
295.20465	7.7
301.19440	2.1
303.21063	3.0
314.21069	1.9
329.22614	1.7
339.23526	1.9
341.24994	2.7
359.27426	2.8
369.25873	3.3
372.59793	1.7
377.28726	2.8
387.26846	14.4
402.57877	1.7
405.27911	99.7
405.70715	1.8
406.27884	8.5
423.28912	42.4
424.28796	5.9
425.58496	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	423.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	14.5
55.01876	6.5
55.05518	24.1
57.03446	6.2
57.07069	4.3
67.05509	56.8
69.03443	63.6
69.07081	24.6
70.69670	9.7
71.04995	8.1
71.08617	4.0
79.05505	48.4
81.03427	100.0
81.07066	62.1
83.04993	6.2
83.08617	3.9
85.02900	11.9
91.05485	31.3
93.07050	63.4
95.04996	8.5
95.08616	46.3
97.02903	14.2
97.10207	5.4
99.04469	15.3
105.07041	27.3
107.08599	30.6
109.02898	13.6
109.06520	11.0
109.10178	20.6
111.08116	4.4
117.07044	13.1
119.08590	23.5
121.06441	3.9
121.10156	30.5
123.08073	19.1
123.11725	11.1
127.03913	7.1
129.07047	6.5
131.08583	15.0
133.10135	22.0
135.08064	6.6
135.11690	17.7
137.09613	4.3
143.08542	8.7
145.10146	16.4
147.11740	8.4
149.13271	11.6
159.11707	10.6
161.09595	5.2
161.13254	9.4
163.14838	6.6
171.11682	4.6
173.13263	10.1
177.12764	3.5
179.14337	23.3
187.14819	4.0
243.21007	6.1
259.20572	7.6
261.22168	14.9
275.19995	4.2
292.90662	3.4
303.23328	6.0
326.69571	3.6
331.26291	16.0
345.23953	4.9
369.24463	6.2
387.25375	8.0
405.26349	12.2
417.22675	4.2
423.31427	40.9
423.36426	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	15.1
55.01852	11.3
55.05515	35.5
57.03416	6.1
57.07072	7.6
58.88099	3.2
59.04987	9.8
65.03936	6.9
67.04118	3.9
67.05506	96.8
68.67174	3.9
69.03433	21.9
69.07072	29.2
69.92707	9.1
69.93100	7.6
71.04977	13.5
79.05501	100.0
81.03404	16.6
81.06596	5.0
81.07059	98.1
83.04973	8.3
83.08611	14.5
85.02926	5.3
85.06520	4.0
91.05482	71.6
93.07048	96.0
95.04961	17.6
95.08613	81.7
97.02293	6.7
97.02893	92.3
97.06516	10.0
97.10175	6.1
99.04469	22.8
99.08132	4.1
105.07040	46.1
107.04930	3.8
107.08601	50.9
109.02862	7.4
109.06507	11.3
109.10165	35.4
111.08076	7.2
116.03812	4.5
117.07014	14.1
119.08598	42.6
121.06517	4.7
121.10144	60.3
123.08063	24.7
123.11703	11.0
127.03905	31.7
129.07013	7.6
131.04924	4.5
131.08565	36.4
133.10147	31.4
135.08060	15.7
135.11688	33.9
137.09604	7.1
143.08560	13.5
145.10136	28.6
147.08017	6.7
147.11722	24.5
149.13277	15.8
155.08621	4.7
157.10097	14.0
159.08038	7.8
159.11714	22.7
161.09625	5.4
161.13272	13.3
163.14815	6.1
169.10139	3.9
171.08086	4.8
171.11723	6.7
173.09685	6.2
173.13274	14.6
175.14749	6.0
177.12642	4.3
179.14285	31.1
181.10045	3.9
183.11671	4.8
184.07390	18.4
185.13257	4.9
187.14786	8.3
189.12793	4.3
195.11786	6.6
243.21118	9.4
259.20593	9.9
261.22137	42.8
273.22104	4.8
301.03421	3.5
325.21536	4.5
331.26355	10.5
339.23227	5.5
349.27521	5.1
357.24261	7.6
405.26917	5.0
423.30447	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	11.1
55.05510	32.3
57.03438	7.0
57.07067	6.4
63.53712	5.4
65.03947	7.9
67.05513	93.5
68.80244	6.1
69.03434	45.3
69.07078	31.6
69.23094	41.9
69.23508	10.9
71.01377	7.5
71.04991	12.0
79.05500	77.2
81.03434	39.5
81.07058	100.0
83.05000	10.2
83.08624	11.7
85.02919	15.6
87.04482	6.6
91.05494	74.9
93.07050	79.6
93.84523	5.5
95.04976	22.4
95.08622	61.3
97.02891	17.9
97.10094	6.0
98.21483	10.1
99.04446	9.5
105.07040	47.7
107.04950	8.4
107.08591	42.7
109.02885	7.1
109.06535	8.3
109.10181	30.7
111.04450	6.5
117.06999	32.0
119.08598	44.9
121.06484	8.2
121.10179	39.7
123.04453	10.2
123.08096	5.5
123.11723	13.5
125.09629	7.6
127.03936	7.4
129.07024	16.5
131.08521	28.6
133.10126	31.9
135.11728	21.3
139.07663	6.0
141.07033	9.9
143.08574	19.7
145.10109	22.3
147.11668	31.8
149.13263	11.0
155.08588	6.5
157.10149	10.7
159.11676	14.6
161.13266	19.5
171.11729	13.8
173.13289	17.3
173.95157	6.3
177.12686	6.7
185.13193	10.5
187.14677	7.5
189.16402	7.0
210.48009	5.6
259.20572	11.3
261.22162	13.0
273.22092	7.9
277.21899	7.4
303.23193	16.2
345.24265	10.4
345.96948	6.2
351.23346	8.3
359.25790	6.6
369.24265	18.9
369.71289	6.0
387.25314	25.3
405.26633	27.7
423.27466	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2742
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
52.58012	6.8
53.03937	19.4
55.01891	16.0
55.05508	45.4
57.03426	12.9
63.84725	9.1
67.05511	96.3
69.03431	45.3
69.07063	41.7
69.35874	11.1
69.36208	60.9
71.05015	8.2
79.05500	81.4
81.03426	47.6
81.07056	100.0
83.04987	19.8
83.08609	23.3
85.02906	31.1
91.05489	82.7
93.07059	97.5
95.04968	24.9
95.08614	82.9
97.02901	27.7
97.06524	18.4
97.10150	9.8
98.20784	10.7
99.04488	10.3
99.08100	9.1
101.05086	6.1
105.07028	72.4
107.08586	53.4
109.02908	9.4
109.06506	18.7
109.10174	35.6
111.04442	12.5
111.08108	8.0
115.05478	8.6
116.04332	6.7
117.07029	27.4
119.08595	44.4
121.06429	10.3
121.10163	49.0
122.75806	6.6
123.11722	20.3
129.06990	22.1
131.08556	48.5
133.10147	40.0
135.08069	11.6
135.11713	32.3
137.09612	11.5
143.08524	16.6
145.10117	32.2
147.08076	9.2
147.11624	31.6
149.13251	16.6
157.10155	20.7
159.11717	27.9
161.13297	25.6
169.10109	10.8
171.11707	14.9
173.13298	23.1
183.11746	12.3
185.13237	11.3
186.33417	7.3
203.14301	7.1
215.14154	8.4
217.01628	7.5
217.16011	7.9
241.19574	11.5
259.20584	19.8
261.22110	16.8
275.23712	11.5
277.21643	9.4
289.21497	6.5
301.21860	7.9
303.23126	27.6
305.13614	6.6
341.24701	12.3
345.24313	8.7
351.23135	11.6
369.24408	36.7
387.25375	39.6
405.26425	47.5
423.27332	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2743
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
52.52892	4.1
53.03937	8.8
55.01854	8.2
55.05513	33.5
57.03424	11.2
57.07078	9.5
65.03929	4.9
65.71547	3.9
67.05511	91.9
69.03435	29.4
69.07079	28.5
71.04997	5.1
73.41724	3.3
75.36192	3.9
79.05071	5.4
79.05497	58.5
81.03432	32.6
81.07064	100.0
83.04969	18.2
83.08619	16.2
85.02892	14.3
87.04468	4.2
91.05478	58.3
93.07044	72.2
95.04962	16.0
95.08067	5.6
95.08620	76.9
97.02878	11.6
97.06551	6.5
97.10165	6.8
98.20737	12.2
99.04465	8.5
102.79806	3.7
103.03960	5.5
104.76537	3.2
105.07040	51.4
107.04971	4.8
107.08586	47.3
109.02862	9.7
109.06516	9.8
109.10163	34.4
111.04444	11.1
111.08127	8.8
117.07014	26.5
119.08584	43.7
121.06557	6.7
121.10147	34.9
123.08086	8.3
123.11703	19.8
125.09599	5.8
126.12781	3.9
127.03927	5.6
129.05501	4.9
129.07039	17.9
131.08569	32.8
133.06491	5.3
133.10130	36.9
135.08064	10.6
135.11740	28.6
137.09656	5.5
143.08487	18.7
144.52502	3.6
145.10143	34.0
147.08087	5.3
147.11717	25.1
149.09645	6.5
149.13258	21.8
155.08545	8.5
157.10117	12.5
159.11742	26.1
161.13263	19.3
163.11243	4.7
163.14908	6.4
167.08717	4.0
169.10115	8.4
171.11678	14.1
173.09547	4.5
173.13223	21.8
175.11218	5.8
175.14876	6.8
183.11742	4.9
185.13280	13.5
187.14818	11.7
197.13354	5.5
199.06021	4.1
199.11139	4.4
199.14810	9.3
205.15916	4.4
229.79710	5.0
229.81728	4.6
241.19435	7.4
243.21141	5.7
259.20599	19.1
261.22119	21.2
271.20499	4.2
273.22125	7.0
275.20239	3.7
275.23737	5.3
277.21613	8.4
285.22141	5.5
287.19781	4.0
289.21600	7.5
291.23248	4.6
301.21463	8.6
303.23206	28.5
315.23297	8.0
319.22827	5.1
327.23227	5.5
341.24854	4.5
351.23361	7.7
369.24268	29.8
372.55322	3.7
382.09256	3.6
387.25272	37.9
405.26306	34.3
423.27191	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	12.1
55.01860	9.1
55.05522	29.8
55.41314	4.0
57.03428	13.6
57.07071	9.3
62.43834	3.7
63.34635	4.0
65.03940	6.5
67.05510	88.1
69.03423	16.4
69.07067	24.7
70.72047	8.1
70.72388	5.2
71.04989	13.3
72.08143	4.0
73.02923	7.0
79.05060	7.1
79.05495	74.5
81.03434	20.7
81.07059	91.4
82.19398	4.2
83.04973	8.9
83.08609	16.2
85.02917	12.2
85.06545	5.8
87.02002	4.0
87.98860	4.4
89.06024	8.0
91.05479	55.5
93.07048	94.4
95.04958	11.7
95.08612	73.3
97.02296	7.4
97.02895	100.0
97.06510	8.5
97.10188	6.5
99.04463	46.2
105.07043	46.0
107.08608	50.7
109.02904	24.2
109.06501	6.5
109.10159	44.7
111.08077	7.0
117.07032	12.5
119.08568	35.3
121.10152	55.9
122.07204	4.3
123.08077	11.2
123.11697	9.6
127.03906	36.6
128.06274	6.4
129.07008	6.4
131.08598	30.6
133.10162	22.6
135.08069	5.8
135.11684	32.4
137.78639	3.7
143.08470	3.8
145.04953	10.9
145.10118	27.5
147.11696	15.7
149.13271	15.0
157.10147	6.0
159.11696	11.6
161.13266	16.5
163.14833	7.0
171.08163	4.5
173.13281	15.1
175.11101	3.9
179.14320	14.6
187.14854	6.4
224.17982	4.1
243.20987	6.0
259.20737	4.0
259.41742	4.1
261.22177	27.8
277.84470	4.1
303.23123	7.5
331.26318	9.0
349.27310	5.3
369.24286	8.8
387.25409	8.8
405.26437	8.8
423.26395	7.5
423.30884	16.9
430.55597	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	423.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.6
55.01868	7.5
55.05267	4.0
55.05514	38.7
57.03433	10.5
57.07080	5.5
61.02936	3.8
67.05511	76.2
69.03432	41.4
69.07069	36.0
69.74677	7.3
69.75082	9.9
71.04999	5.3
73.02916	4.9
79.05492	67.0
79.05914	5.2
81.03419	41.6
81.06587	6.9
81.07059	100.0
83.04971	17.0
83.08622	19.6
85.02893	19.0
85.06548	5.8
91.05487	57.6
93.07045	90.2
95.04978	15.7
95.08611	81.7
97.02903	11.5
97.06540	8.9
99.04462	6.5
99.08054	3.5
103.03928	5.0
105.07034	59.0
105.49937	2.9
107.04927	7.9
107.08592	45.7
109.02897	7.6
109.06526	13.9
109.10165	37.2
111.04436	10.8
111.08112	10.1
117.07026	29.3
119.08578	44.0
121.06516	11.6
121.10145	43.6
123.08072	8.6
123.11729	11.1
125.09672	4.2
127.03864	5.6
128.06256	5.3
129.05496	5.0
129.07001	16.8
131.08565	34.4
133.06474	5.0
133.10132	32.2
135.08081	5.7
135.11696	26.1
137.09627	6.0
137.13380	3.8
139.11188	5.1
141.07016	6.3
142.07738	5.1
143.08557	20.3
145.06525	3.4
145.10156	28.8
147.08066	7.0
147.11693	27.9
149.09602	4.4
149.13260	20.6
155.08563	8.9
157.06516	3.6
157.10161	11.9
159.08080	7.3
159.11688	27.2
161.09677	3.3
161.13293	19.2
163.14851	9.9
165.07022	3.6
165.12741	4.5
167.08617	4.8
169.10138	8.7
171.08067	21.1
171.11688	12.8
173.11974	3.8
173.13284	18.6
175.10995	3.7
175.14853	5.4
177.12711	4.8
179.14410	3.9
181.10120	5.3
182.22179	3.4
183.08018	3.9
183.11690	7.6
185.13297	10.8
187.14877	8.7
189.12689	3.9
194.10988	3.5
195.11726	4.3
197.09590	8.1
197.13266	6.1
199.14888	8.5
201.16519	3.5
209.13370	4.0
211.11362	3.7
225.12761	3.6
227.14412	3.4
241.19547	5.6
259.20663	18.0
261.22101	23.9
271.20828	3.7
275.23886	4.1
277.21628	6.8
283.16937	13.2
285.22034	3.9
289.21725	4.9
291.23111	3.8
301.21558	4.4
303.23169	17.8
313.21567	4.2
315.22989	4.8
315.35944	3.4
319.22385	4.9
345.24295	7.9
351.23251	6.3
367.06937	3.1
369.24344	20.3
387.25375	22.4
389.55255	2.9
405.26474	21.3
423.26724	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	423.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.9
55.01859	7.1
55.05521	34.1
57.03442	7.1
57.07067	5.4
59.05012	5.0
65.03947	3.9
67.05193	6.9
67.05515	96.5
69.03436	25.9
69.07080	34.1
69.62953	8.2
69.63374	15.8
70.06580	6.3
71.04974	12.5
73.02904	7.8
79.05499	61.9
81.03419	36.0
81.07066	100.0
83.04980	12.4
83.08614	13.2
85.02898	12.0
85.06525	10.7
86.09709	9.1
91.05485	68.1
93.07051	86.4
95.04987	18.0
95.08609	64.8
97.02901	9.4
97.06548	9.1
97.10154	12.0
98.20841	6.8
99.04484	6.7
99.08066	4.5
105.04507	5.1
105.07039	57.1
107.04972	5.6
107.08600	49.7
109.02863	4.1
109.06509	12.4
109.10168	37.3
111.04462	8.4
111.08092	7.7
115.05466	4.0
117.07042	24.2
119.08595	48.3
121.06485	6.3
121.10168	38.7
123.08069	16.3
123.11699	12.6
125.00014	4.7
127.03958	5.7
129.07002	13.8
131.08578	34.5
133.06503	5.1
133.10129	33.4
135.08026	8.4
135.11685	31.4
137.09615	7.1
139.07562	3.8
141.07022	5.3
142.07768	5.6
143.08572	26.0
145.06473	4.5
145.10146	29.7
147.08084	5.3
147.11722	23.7
149.09602	5.1
149.13251	14.4
151.07590	5.3
155.08601	8.2
157.10143	19.4
159.08110	4.9
159.11679	20.8
161.09573	5.9
161.13266	18.0
163.11226	3.8
167.10634	6.9
169.10106	9.0
170.10887	3.8
171.11685	13.8
173.09677	6.3
173.13306	12.9
175.11256	4.3
175.14796	8.8
179.14276	11.0
184.07339	16.0
185.13219	6.1
189.12874	5.6
197.13191	10.2
199.14839	8.4
201.12775	6.7
201.16269	5.9
205.15923	5.1
209.13258	6.0
211.11346	3.6
211.14941	5.4
214.06599	4.3
241.19432	6.5
243.21057	7.4
259.20532	15.3
261.22156	21.9
273.21997	6.7
277.21597	6.4
289.21481	4.2
303.23221	12.0
331.26382	9.8
341.24713	5.6
345.24405	5.9
351.23007	5.2
369.24258	19.1
387.25238	12.7
405.26395	21.1
423.27182	14.2
423.31635	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	423.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80073	0.7
54.54908	0.5
55.01870	0.7
55.05515	9.7
56.05037	2.5
57.05807	1.4
60.04532	0.7
67.05473	0.6
70.06594	9.7
71.02628	1.3
71.05000	2.6
72.05343	0.8
72.08160	100.0
73.08489	0.9
74.06079	1.9
83.06104	2.8
84.04521	5.3
84.08147	8.2
86.09713	9.0
91.05489	1.8
93.07054	0.9
97.06561	1.5
98.06069	0.7
98.06786	0.7
99.05630	0.7
102.05556	2.1
103.05492	2.1
107.04990	0.6
110.07164	0.8
110.42276	0.6
112.08779	0.7
113.07157	0.5
119.04967	1.0
120.06656	3.7
120.08111	76.1
121.08461	1.4
129.10251	4.5
130.05035	2.6
132.10185	2.9
135.78987	0.6
136.07579	8.3
139.52818	0.6
143.11829	0.8
145.06126	1.1
177.10240	32.9
201.12317	6.3
202.08665	1.0
205.09740	23.6
219.13400	10.7
219.15294	0.7
246.12494	1.6
247.10838	1.8
247.14467	0.6
256.09607	1.2
259.14529	3.2
260.11374	0.7
264.13373	1.0
275.10483	0.8
293.11716	1.7
294.04343	0.8
295.04810	1.6
302.10263	1.2
304.16699	2.5
348.19641	0.9
405.21521	2.9
423.09406	3.1
423.15533	1.2
423.26138	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	423.1995
Annotation	CHEBI:59526
Peak:m/z	Relative Intensity
54.00796	0.9
55.05505	1.0
59.68416	1.0
64.75697	1.0
67.05513	1.5
70.06593	6.4
70.53695	2.6
72.08160	5.6
79.05500	1.9
81.03407	0.9
81.07039	3.1
81.17742	0.9
81.49266	1.0
83.06071	1.0
84.08154	8.4
85.02922	1.7
86.09718	7.8
91.05469	2.3
93.07044	2.9
95.05006	1.1
95.06104	1.5
97.06535	1.8
98.97643	1.0
105.07046	2.5
107.08559	1.2
119.08601	2.1
120.08096	2.0
121.10143	1.5
123.32039	0.9
128.06219	0.9
129.10211	2.6
132.10201	0.9
136.06157	1.2
145.10152	2.0
163.04010	1.5
175.61227	1.0
201.03757	2.3
203.05301	3.0
238.63606	0.9
243.13611	14.1
245.15137	24.6
261.10983	2.7
261.14880	1.0
382.35913	1.1
423.19940	100.0
424.20227	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	423.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.2
56.05035	2.5
57.66893	0.6
60.04539	1.0
64.92538	0.5
64.92915	0.6
69.07090	0.6
70.06596	11.3
71.50270	1.3
72.07812	1.1
72.08164	12.3
73.08495	0.8
83.06110	2.6
84.04508	11.8
84.04977	1.0
84.08153	10.6
85.02908	1.1
86.09727	3.0
91.05492	1.5
98.06043	0.8
98.97585	0.6
101.07115	2.9
102.05543	2.1
104.05347	0.7
110.07148	1.5
111.09203	0.6
112.11270	1.0
120.08117	27.8
123.04320	0.6
129.06610	2.7
129.10246	6.8
130.04991	1.2
136.07582	4.0
145.59534	0.7
147.04451	0.8
147.07578	0.6
166.08649	2.9
169.09637	0.7
177.08708	1.6
177.10213	0.6
212.10316	0.9
219.14934	4.6
231.11403	1.0
240.09879	1.3
247.14484	3.5
249.15945	1.0
258.10632	0.9
261.13120	10.7
276.13425	1.7
277.11880	1.8
289.22244	0.7
382.64844	0.6
405.18307	1.3
423.18405	100.0
424.18701	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.8
57.07082	34.0
66.02636	1.3
67.05481	2.1
69.07061	4.0
69.80180	1.2
71.01089	1.3
71.08638	29.5
71.51015	2.3
73.06563	3.6
79.05499	1.4
81.03393	1.2
81.07052	1.8
83.08619	3.5
85.10194	17.2
87.04459	2.1
89.06040	100.0
90.06326	1.6
95.08611	1.9
95.94814	1.2
97.10167	3.8
99.11726	2.8
107.07103	6.4
107.08604	1.8
111.11711	2.7
113.00022	1.3
113.13320	1.3
117.09131	1.5
121.10203	1.1
127.79680	1.3
130.08662	1.7
133.08617	37.3
151.09680	6.1
177.11244	8.6
195.12292	40.8
213.90591	1.4
273.93124	1.3
299.29440	2.4
392.19476	1.5
405.35797	25.3
407.22153	2.2
422.24252	3.8
423.31641	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	422.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.9
54.99774	2.5
55.05515	18.6
57.07065	11.4
59.04996	2.5
67.05509	32.9
69.03432	4.7
69.07074	52.2
70.43974	4.8
71.04980	2.6
71.08624	7.4
72.08175	2.5
79.05499	17.8
81.06601	5.1
81.07066	100.0
83.04972	2.3
83.08627	11.9
85.10155	2.5
85.96047	2.8
86.35404	2.1
91.05471	11.3
93.07053	36.9
95.04949	8.2
95.08616	81.7
97.06520	5.8
97.10174	6.1
105.07045	16.4
107.08598	40.0
109.06512	4.2
109.10164	59.5
111.11712	9.1
113.07729	2.0
117.06945	2.9
119.08594	12.4
121.06516	5.6
121.10159	29.4
123.08059	5.1
123.11715	27.8
133.10135	8.0
134.04472	6.6
135.08040	4.1
135.11714	26.0
137.09624	5.5
137.13243	18.3
145.10112	8.2
147.11661	7.2
149.13251	18.5
151.14757	3.3
159.11711	7.3
161.13252	8.3
163.11275	3.5
163.14804	6.0
173.13286	3.8
175.14832	3.6
177.16393	4.9
179.14314	9.1
179.17943	5.4
187.14981	2.8
205.15804	2.8
215.17906	4.3
261.25891	13.4
271.24188	8.5
271.27017	2.3
289.25262	34.9
293.19727	2.5
422.28958	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	421.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
55.01865	10.2
55.05506	6.8
57.07082	12.5
67.05499	4.9
69.07069	12.9
71.08635	9.4
71.50981	2.6
72.47887	1.4
74.09701	2.4
79.05508	10.6
81.07063	47.0
83.04993	1.9
83.08641	10.2
85.10172	5.1
87.28744	1.8
88.81555	1.8
89.06041	7.9
91.05455	2.0
93.07036	4.9
95.08625	9.4
97.06507	2.1
97.10140	7.4
98.98466	2.2
105.07042	4.9
107.08593	4.6
109.06531	15.0
109.10168	4.0
111.04451	3.0
111.08060	1.8
111.11720	4.4
119.08553	5.7
121.10172	4.4
123.11736	2.7
125.06008	23.4
125.13280	2.2
130.15831	2.1
131.08601	2.6
133.08568	2.7
133.10150	4.2
135.08084	4.2
137.05991	100.0
145.10095	3.0
147.11707	3.9
149.13260	1.8
155.07050	4.1
157.10089	2.0
159.11728	3.1
161.09583	3.0
161.13271	6.5
165.09061	2.0
175.11169	3.8
175.14778	2.5
177.12738	3.4
184.07491	1.8
184.59785	2.1
189.12718	3.1
193.12280	4.5
207.13834	2.9
207.22902	1.5
228.39594	1.9
239.15041	2.0
259.94937	1.6
263.96170	1.7
403.35480	2.3
415.01828	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	421.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.6
55.01865	6.4
55.05513	19.9
57.03424	8.5
57.07080	34.3
63.21658	2.9
67.05242	2.2
67.05506	27.9
69.03433	16.8
69.07059	13.5
73.30220	2.3
79.05495	18.7
81.07059	36.4
83.04970	4.9
83.08607	8.1
85.06544	16.6
89.01894	2.4
91.05494	22.8
93.07038	27.8
95.04994	12.2
95.08618	28.0
97.06540	19.8
100.59285	2.3
105.07039	23.8
107.04944	5.9
107.08609	32.9
109.06513	25.5
109.10167	23.8
111.04475	3.4
111.08080	7.2
113.05945	3.1
117.07037	5.3
119.08590	23.9
121.06503	11.1
121.10160	19.6
123.08055	15.3
123.11704	7.6
125.00037	2.7
125.05997	24.1
125.09622	4.9
128.06183	7.7
129.07048	4.9
131.08580	13.7
133.10121	16.0
135.07114	4.6
135.08064	47.1
135.11694	12.9
137.05980	23.6
137.09602	11.4
138.06754	2.8
139.07521	4.8
143.08617	14.0
145.06360	3.0
145.10112	15.3
147.08038	18.0
147.11685	11.0
149.09601	7.7
149.13196	3.8
151.07481	7.0
151.11169	7.2
153.09114	6.8
154.91321	2.5
155.08560	16.0
156.09360	2.6
157.06491	2.8
157.10091	10.0
158.07207	3.6
159.08005	5.7
159.11693	13.4
161.09604	13.1
161.13283	4.8
162.03174	3.8
163.11205	5.6
165.09055	3.4
165.12741	7.8
167.08533	3.2
169.10098	5.2
171.08052	44.9
171.11697	8.2
173.09709	14.4
173.13284	12.8
175.11133	8.0
175.14845	4.9
177.12743	16.4
179.08522	5.3
179.14313	6.0
181.10168	4.3
183.11646	6.2
184.07251	6.9
185.09602	6.5
185.13264	6.9
187.11172	3.5
189.12726	6.4
191.14351	3.7
193.10199	5.6
193.12222	5.2
195.11627	3.1
197.09615	6.1
197.13214	2.9
199.11172	5.5
203.14317	3.4
207.11732	5.9
207.13809	8.7
209.09663	3.9
211.11133	9.0
213.12715	8.7
215.14272	4.1
223.11217	5.5
225.12732	4.1
227.14276	3.1
233.19006	5.0
239.14294	2.7
251.14279	3.1
263.14337	6.2
263.20151	7.2
265.15881	4.2
267.17426	15.2
269.18954	4.6
293.19037	10.3
295.20532	3.4
297.22134	6.4
319.26279	10.9
327.23059	4.2
329.21069	6.6
329.24747	11.7
337.27563	4.1
347.25848	100.0
365.26855	17.9
367.24341	3.2
393.29965	10.2
403.26147	17.2
421.29648	69.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	5.8
55.05522	12.0
57.03450	11.7
57.07079	38.3
67.05511	22.0
67.05791	2.1
69.03428	16.6
69.07076	20.7
75.76654	2.6
79.05505	19.0
79.05862	2.0
79.74087	1.8
81.07059	36.5
83.05012	5.9
83.08649	5.2
85.06547	14.1
91.05486	17.3
93.07046	25.0
95.04984	10.7
95.08620	32.5
97.06541	16.5
98.20714	4.4
105.07039	16.4
107.04984	2.5
107.08605	27.4
109.06544	23.8
109.10172	24.8
111.04492	4.3
111.08115	6.2
117.07084	9.8
119.08598	17.2
119.31507	2.2
121.06524	10.7
121.10131	17.7
123.08069	17.0
123.11777	6.0
125.05991	19.2
125.09720	6.1
128.06291	4.0
129.07062	6.1
131.08621	11.7
132.05746	2.3
133.06503	3.9
133.10147	17.4
135.08064	29.0
135.08995	2.8
135.11769	9.4
137.05983	19.3
137.09679	7.1
137.13316	2.5
139.07556	2.7
139.11328	2.7
141.06967	3.2
142.07828	3.5
143.08641	10.0
145.06532	4.3
145.10147	16.2
146.85959	2.3
147.08026	16.1
147.11649	10.1
149.09723	6.4
149.13274	3.7
151.07628	9.4
151.11287	5.1
153.07057	2.9
153.09164	7.0
153.12819	2.6
155.08548	16.2
155.10719	3.7
156.09355	2.2
157.10208	9.1
159.08139	8.0
159.11717	10.5
161.09711	8.5
161.13377	5.9
165.12839	7.9
167.08600	3.4
169.10191	5.1
171.08069	49.0
171.11819	7.5
173.09602	12.1
173.13350	8.5
175.11264	7.5
175.14883	2.3
177.12846	8.1
179.08636	2.5
179.14445	7.5
181.10220	6.3
183.11726	2.6
184.07469	4.0
185.09744	6.5
185.13371	4.5
187.11270	6.2
187.14876	4.2
189.12863	3.5
191.14450	2.9
192.09375	2.5
193.10222	5.2
193.12244	4.3
195.11839	6.4
197.09789	6.7
197.13330	3.5
199.11272	3.5
199.14928	5.7
203.14433	4.1
203.18053	3.0
207.13928	9.1
209.09666	3.2
209.13417	3.5
211.09311	2.5
211.11377	6.2
213.12889	7.3
223.11256	3.7
223.15028	3.4
225.12843	5.1
227.14459	4.3
229.51523	2.9
233.15454	2.6
233.19092	3.4
237.12939	3.0
245.13231	3.0
247.15001	2.8
251.14479	3.5
263.14523	3.5
263.20276	5.4
265.16153	5.9
267.17465	17.8
293.19147	9.9
295.20657	3.8
297.22504	6.4
307.20505	2.5
319.26285	12.3
327.23303	5.3
329.25076	8.3
337.27802	6.0
347.25879	100.0
365.26889	19.8
375.26743	3.6
385.25549	4.4
393.30081	12.4
403.26221	15.7
421.29669	75.8
422.29974	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	421.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.4
55.05518	6.0
57.07076	1.3
65.03947	1.9
67.05514	16.0
69.03415	3.6
69.07073	6.5
69.43564	1.2
69.43913	9.6
79.05502	10.9
79.67677	1.2
81.07060	16.0
83.08616	1.8
85.06555	1.3
91.04958	1.9
91.05465	11.5
91.24564	1.4
93.07044	11.8
95.04983	2.8
95.08621	17.2
97.06539	17.4
105.07043	14.7
107.08590	21.5
109.06516	5.5
109.10166	25.2
111.04440	3.3
111.08092	7.5
113.06040	1.6
115.05479	2.9
117.07030	4.5
119.08590	11.9
121.10162	12.1
123.08095	3.4
123.11710	3.0
125.06001	13.8
125.09639	6.8
128.06232	4.4
129.07043	6.2
130.07791	2.9
131.08586	11.1
133.10138	7.3
135.08063	2.1
135.11696	8.9
137.09612	7.1
139.07574	2.7
139.11214	3.2
141.07021	3.2
142.07797	4.9
143.08559	15.9
144.09328	2.2
145.06516	4.7
145.10143	22.4
147.11690	12.9
149.13249	4.2
153.06992	3.6
153.09111	4.9
154.07805	2.8
155.08571	70.1
155.10452	6.9
156.09373	3.5
157.10126	12.8
158.07285	5.8
159.08032	2.0
159.11687	8.1
161.09644	3.9
161.13287	3.2
163.11221	4.2
163.14789	1.6
165.07054	3.6
166.07797	2.8
167.08582	15.8
168.09340	2.2
169.10117	11.1
170.10979	1.8
171.08041	13.9
171.11638	6.8
173.09642	56.4
173.13269	3.6
174.10095	1.6
175.11179	12.9
175.14906	1.8
177.12720	1.8
178.07797	3.4
179.08611	5.4
180.09319	2.4
181.10114	14.9
182.10959	1.4
183.08064	2.3
183.11703	10.5
185.09685	3.3
185.13344	5.9
187.11224	4.8
187.14853	2.8
189.12726	2.3
191.08591	1.4
191.14503	1.5
192.09386	4.9
193.10170	9.0
194.10912	2.6
195.11684	15.4
196.08917	1.4
196.12497	2.2
197.09685	4.2
197.13249	10.2
199.11203	10.2
201.12747	1.8
205.10080	4.7
206.11018	2.4
207.11711	18.2
208.12558	1.3
209.09604	1.9
209.13284	9.1
210.10474	1.4
210.14005	2.0
211.11282	9.9
211.14825	4.7
213.12750	14.3
215.14366	2.8
219.11726	5.6
220.12563	2.5
221.13254	9.5
223.11237	4.0
223.14845	6.4
224.11942	1.6
225.12732	19.3
225.16338	2.4
227.14317	8.0
233.13226	4.3
233.15424	1.9
235.14857	7.8
237.12787	4.2
237.16428	3.9
238.13705	1.4
238.17117	1.8
239.14354	9.6
239.17975	5.9
241.15892	2.8
245.13390	3.6
247.14847	4.1
247.17065	1.5
249.16351	16.5
249.18488	1.8
251.14339	7.3
251.18021	3.9
253.15855	5.1
263.14368	5.0
265.15881	9.9
265.19498	1.6
266.16669	6.6
267.17447	18.8
269.18927	2.0
275.17993	3.9
277.19498	1.6
279.17599	3.6
279.20636	1.4
281.15332	2.9
283.16721	1.7
289.19507	3.4
291.17532	2.3
293.18991	11.6
295.20419	2.1
305.19083	2.5
307.20645	2.1
311.20175	3.5
357.25656	1.6
375.27045	3.6
385.25217	6.0
393.28174	8.3
403.26340	32.3
421.27408	100.0
422.27927	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	421.274
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83950	2.5
55.05499	9.4
57.03440	4.3
59.25486	2.5
67.05495	25.1
69.03431	5.3
69.07059	8.5
70.06592	3.3
70.93997	7.3
71.05010	3.1
76.30875	3.8
79.05500	18.3
81.07059	21.1
83.04993	3.9
91.05470	14.7
93.07048	16.3
95.04941	5.5
95.08613	30.1
97.06551	24.0
105.07051	27.8
107.08613	32.1
109.06525	9.1
109.10173	30.5
111.04437	6.0
111.08096	7.0
115.05432	4.7
117.07024	6.9
119.08595	18.9
121.06539	2.6
121.10125	13.5
123.08079	29.0
123.11735	5.0
125.06012	18.8
125.09673	19.2
128.06189	3.4
129.07010	13.1
130.07814	3.6
131.08595	18.1
133.10132	12.7
135.08064	4.3
135.11684	7.2
137.09596	10.9
141.07001	7.8
142.07773	18.2
143.08586	21.6
145.10136	25.5
147.08092	3.7
147.11696	11.2
149.09602	3.9
151.07573	7.2
153.07027	5.9
153.09067	9.4
154.07709	4.1
155.08565	49.7
155.10634	6.3
156.09335	4.0
157.10149	58.8
159.11668	15.1
161.09616	7.3
161.13333	3.7
163.03993	3.7
163.11191	2.8
165.07010	6.5
166.07800	4.8
167.08603	10.0
169.08630	15.4
169.10146	23.5
171.08078	4.2
171.11722	19.7
173.02345	3.6
173.09612	16.1
173.13260	6.4
175.11206	7.4
177.12735	6.9
178.07884	4.2
179.08551	12.3
180.09380	5.8
181.10124	24.6
182.10832	3.1
183.11694	24.2
185.13254	5.8
187.11058	3.7
187.14836	2.5
189.08810	2.5
191.08629	4.4
192.09346	8.3
193.10214	14.6
194.10800	6.2
195.11757	26.2
196.12523	4.9
197.13303	18.7
199.11266	3.9
199.14825	11.1
201.12787	4.4
205.10138	6.7
206.10931	3.9
207.11673	25.0
208.12471	5.2
209.13258	16.8
211.14839	8.4
213.12727	5.3
215.07065	3.5
215.14400	3.5
219.11694	6.4
220.12589	4.2
221.13278	13.0
222.16167	2.8
223.11406	2.9
223.14836	28.6
225.12770	6.1
225.16423	7.1
227.14293	5.4
232.12283	4.0
233.13205	6.5
234.14075	3.4
235.14845	19.3
237.16415	8.3
239.14314	6.6
241.15918	4.4
245.13297	3.6
247.14902	8.2
249.16383	53.0
250.17093	4.7
251.17960	22.9
253.15979	4.1
253.19551	22.2
259.09818	6.0
259.14658	2.9
261.16388	4.9
263.18149	3.1
265.15726	3.0
266.16595	3.2
267.17526	26.7
268.17987	3.0
273.16409	4.5
275.18008	15.8
279.17517	5.4
279.21121	4.2
289.19504	6.5
290.20108	6.5
293.19052	8.1
311.16214	3.2
311.19858	5.2
357.25592	4.0
375.27032	7.2
385.25259	12.9
403.26297	39.6
404.27115	3.8
421.27435	100.0
422.27554	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	421.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	15.7
55.01863	18.0
55.05523	30.4
57.03431	8.2
57.07073	6.9
67.05505	62.7
69.03432	38.5
69.07069	20.7
71.01352	4.4
71.04993	9.3
71.51210	6.0
73.02931	9.2
76.02135	4.0
79.05499	61.5
81.03419	42.6
81.07067	65.9
83.04994	10.4
83.08617	12.3
85.02917	16.0
86.09689	5.1
91.05492	82.5
93.07051	81.5
95.04984	16.3
95.08614	56.4
97.02891	14.7
97.06538	5.2
97.10172	7.7
99.04496	7.7
99.08123	4.3
103.03902	4.6
103.05455	4.7
105.04576	5.0
105.07044	100.0
107.04957	8.6
107.08606	39.8
109.02911	11.1
109.06549	8.5
109.10165	18.7
111.04453	8.2
111.08108	4.9
115.05453	7.2
116.06264	7.8
116.34469	4.6
117.07037	53.8
119.08600	65.4
121.06473	8.7
121.10158	36.9
123.04516	5.5
124.84418	5.8
127.03948	11.8
128.06198	9.2
129.06973	29.8
130.07800	4.9
131.08578	64.9
133.10146	51.7
135.08070	9.8
135.11710	20.1
136.06198	5.9
141.07002	11.0
142.07730	8.3
143.08559	36.6
143.57626	4.5
145.06508	6.6
145.10132	53.4
147.08043	6.6
147.11694	35.4
149.09662	8.1
149.13272	14.1
151.07520	6.3
155.08571	16.6
157.10153	31.3
159.08096	6.8
159.11722	51.3
161.09697	8.0
161.13272	20.0
167.08565	5.6
168.09389	5.7
169.10118	18.0
171.08092	8.5
171.11664	34.1
173.09637	9.7
173.13292	27.4
175.11150	9.7
175.14787	5.0
177.09129	4.4
181.10138	13.5
183.08087	4.8
183.11777	14.2
184.07451	7.7
185.09619	8.2
185.13263	18.4
187.11217	10.4
187.14841	8.8
193.12387	4.7
195.11731	9.2
197.13216	9.2
199.11237	7.6
199.14816	14.1
201.12752	5.4
203.14314	8.8
209.13237	6.5
211.14749	6.1
215.14371	5.5
229.12450	4.5
231.21088	4.4
233.15393	5.6
241.19534	7.7
257.19034	11.2
259.20572	24.5
271.20688	21.4
271.60712	4.6
273.22272	7.6
275.20151	8.4
277.21716	6.9
287.20215	6.3
289.21631	7.9
301.21613	37.7
313.21722	8.3
319.22739	7.8
325.21863	5.1
329.21231	5.1
329.24802	8.4
339.23276	8.1
343.22531	7.0
348.01083	4.6
349.21588	8.0
367.22589	29.2
385.23682	46.1
403.24820	58.1
404.24750	5.3
421.25745	70.2
421.30518	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	421.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26648	2.9
53.03938	14.4
55.01876	6.1
55.05514	33.4
57.03432	8.9
57.07078	60.9
67.05511	52.3
69.03433	35.4
69.07073	27.6
69.19838	33.9
71.04996	10.0
71.08635	48.7
73.06543	5.1
79.05494	52.4
81.03426	65.2
81.07063	56.7
83.04973	12.0
83.08618	14.7
85.02901	12.6
85.06535	6.4
85.10177	29.1
87.04472	4.8
89.06039	100.0
91.05484	55.3
93.07048	59.4
95.04972	8.5
95.08614	40.9
97.02896	9.3
97.06551	6.6
97.10155	6.5
99.04449	8.6
99.08070	6.5
99.11739	5.0
105.07037	43.8
107.04959	5.8
107.08597	36.2
109.02868	19.5
109.06519	10.5
109.10168	17.3
111.04440	10.9
115.05486	3.7
117.07027	22.0
119.08595	41.0
121.06496	8.4
121.10165	34.5
123.08074	8.6
123.11714	4.6
127.03931	28.6
129.07024	14.6
131.08556	35.3
133.06453	3.4
133.08615	48.2
133.10117	27.9
135.08113	4.7
135.11687	23.9
139.11218	3.6
141.07045	3.1
142.07756	3.4
143.08568	19.1
145.10150	32.2
147.08105	2.9
147.11697	28.5
149.09698	4.8
149.13255	13.9
151.07567	3.5
151.09630	4.7
151.11147	4.3
155.08531	5.4
157.10123	12.6
159.08061	4.2
159.11711	24.9
161.09615	4.6
161.13280	11.3
162.28955	3.1
163.14809	4.3
169.10126	4.8
169.47432	3.9
171.11699	12.0
173.13275	12.5
175.11148	3.8
175.14842	4.4
177.11246	7.2
177.12692	3.6
179.14336	11.1
183.11671	3.3
185.13257	12.1
187.14882	6.3
189.12761	4.2
195.11789	6.6
197.13243	5.4
199.14981	6.2
201.12694	5.3
209.13266	3.7
210.11519	3.3
211.11320	3.7
213.12851	3.5
217.12434	4.3
219.13554	4.0
239.14850	16.1
241.19498	11.6
257.19022	5.7
259.20612	23.9
275.20169	9.2
277.21796	14.9
301.21719	9.3
313.21286	4.4
367.22635	10.2
374.91617	3.3
385.23700	14.6
403.24829	23.1
421.25772	42.0
428.29645	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	421.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	19.8
55.01861	6.4
55.05516	30.2
57.03435	19.5
57.07080	89.6
65.03947	3.4
67.05506	56.7
69.03434	47.7
69.07072	27.5
70.11043	6.3
70.11440	5.7
71.04990	15.3
71.08636	85.0
73.06517	3.5
77.13378	3.4
77.51147	3.3
79.05497	58.4
79.68231	3.9
81.03427	93.3
81.07060	70.7
83.04970	9.3
83.08644	17.8
85.02901	13.2
85.06543	5.4
85.10191	35.6
89.06038	100.0
91.05484	52.2
92.89311	3.2
93.07047	69.3
95.04974	17.4
95.08613	48.2
95.75667	3.0
97.02904	17.4
97.06533	9.9
97.10180	7.8
98.20767	3.6
99.04464	15.3
99.08096	9.5
99.11739	5.6
103.05487	5.2
105.07034	49.8
107.04915	7.4
107.08605	45.1
109.02854	30.6
109.06523	6.7
109.10170	16.6
111.04444	9.5
111.08113	4.6
111.11707	3.6
113.09669	4.3
113.13329	4.1
117.07058	24.5
119.08582	33.9
121.06499	5.2
121.10166	36.9
123.08097	11.3
123.11706	5.7
125.09617	7.2
127.03931	54.2
129.07024	14.8
131.08578	29.8
133.06461	5.6
133.08617	54.8
133.10138	30.2
135.08047	6.9
135.11713	27.9
137.09627	5.5
139.11157	4.1
141.07060	5.3
143.08557	14.2
145.06522	5.4
145.10101	23.7
147.08034	7.0
147.11681	22.9
149.09573	7.0
149.13280	11.1
151.11192	10.5
155.08571	9.9
157.10155	8.6
159.08080	5.0
159.11722	24.2
159.12825	4.2
161.09695	4.6
161.13300	13.6
163.11206	6.2
163.14799	4.6
169.10152	6.6
171.11734	12.4
173.13255	13.2
175.11198	6.7
177.11253	7.5
177.12685	4.8
179.14325	36.1
183.11749	9.4
185.13293	10.9
187.11232	5.3
189.12819	4.2
195.11931	3.8
199.15004	3.5
201.12761	3.8
203.14427	4.9
207.11925	3.8
218.49239	4.4
239.14832	19.1
241.19521	4.8
257.19046	3.9
259.20624	23.9
275.20117	6.5
277.21667	24.4
301.21582	7.5
313.22055	3.9
315.19797	5.0
316.48755	3.5
329.21045	5.7
357.24329	4.1
367.22766	7.8
385.23779	12.3
403.25021	24.0
421.25732	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2588
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03951	15.8
55.01869	9.0
55.05520	36.3
57.03427	11.8
57.07073	3.5
57.75330	5.0
65.03937	7.1
67.05175	6.9
67.05512	68.7
69.03444	38.5
69.07083	26.6
70.96938	8.9
71.01337	6.1
71.05000	9.4
79.05504	75.5
81.03425	43.5
81.07069	70.7
83.04982	16.2
83.08634	15.1
85.02899	26.0
91.05491	88.4
93.07057	80.4
95.04980	20.7
95.08623	52.1
97.02923	22.3
97.06535	10.3
97.10185	8.9
99.04443	6.7
99.08090	4.6
103.03940	4.7
103.05472	5.1
105.07047	100.0
107.04958	9.4
107.08607	52.4
109.02885	11.5
109.06515	6.5
109.10165	18.7
111.04434	8.9
111.08012	3.5
115.04012	7.2
115.05482	7.8
117.07035	44.2
119.08594	75.8
121.06532	7.5
121.10161	44.5
123.04427	5.0
123.08064	4.4
123.11767	6.7
127.03881	9.7
128.06247	11.6
129.05511	6.2
129.07042	37.1
130.07852	4.8
131.08588	64.2
133.06505	6.9
133.10147	60.1
135.08073	13.4
135.11743	19.8
141.07027	10.0
143.08569	38.1
145.06496	7.9
145.10129	69.0
147.08073	10.9
147.11711	42.0
149.13280	13.2
154.07834	5.4
155.08597	21.1
157.06569	4.7
157.10155	32.7
159.08089	7.9
159.11722	47.3
161.13245	14.9
163.07486	4.6
163.11160	7.7
165.06972	4.4
167.08601	6.5
169.10126	30.9
171.08153	6.1
171.11664	32.2
173.09624	7.5
173.13274	24.6
175.11182	5.9
175.14803	6.5
181.10156	8.6
183.11711	20.4
184.07358	5.1
185.09650	7.2
185.13280	22.3
187.11171	9.6
187.14813	9.4
189.16447	4.0
195.11734	13.7
197.13350	9.7
199.11339	6.9
199.14769	9.1
203.14417	6.8
209.13402	5.1
211.14740	5.2
213.09267	4.4
213.12669	4.6
213.16364	5.9
214.68324	3.8
225.12709	5.7
229.12097	4.0
231.21249	4.0
239.17979	4.8
241.19485	5.1
257.19031	13.9
259.20593	26.2
269.18933	4.6
271.20615	13.7
273.22141	9.7
275.20059	10.8
277.21658	12.6
283.20493	11.5
287.20114	6.7
289.21759	8.7
299.20032	4.2
301.21643	44.1
313.21655	5.9
319.22708	6.1
325.21970	4.4
329.21082	5.8
339.23279	11.2
343.22684	6.2
349.21628	13.3
357.24152	5.3
367.22708	31.7
385.23801	59.9
403.24811	76.7
421.25812	89.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1933
Annotation	Murrastifoline F
Peak:m/z	Relative Intensity
52.55406	1.0
56.05029	1.2
60.04229	2.3
60.04529	46.1
69.03431	1.2
69.07074	13.7
70.02943	2.7
70.06595	4.9
70.42360	0.9
71.48975	1.5
72.08147	3.6
74.06071	4.4
82.99854	2.3
84.04489	2.4
84.08145	2.6
85.02872	0.9
85.04014	2.2
86.09711	76.6
87.10017	1.0
88.03500	1.1
88.03998	15.1
96.08131	6.0
98.02398	3.4
98.97582	4.0
101.00879	10.7
106.05034	18.1
110.09641	1.5
113.00847	1.9
113.10786	1.4
115.05043	1.3
116.03439	2.3
116.98608	1.2
119.01933	11.1
127.02415	2.3
129.06665	1.3
130.05028	2.1
131.01904	4.6
131.05432	1.3
133.06073	1.8
136.07571	1.2
138.09148	2.7
141.10231	13.0
142.08641	3.4
143.01906	50.3
143.05588	1.4
145.03488	7.9
147.04364	1.4
155.01921	6.9
155.11740	1.4
156.10204	24.9
157.03421	1.4
157.06091	5.9
158.99622	2.1
161.02966	36.8
162.03165	1.9
163.02634	1.4
169.03539	1.2
173.02991	6.2
173.06636	2.2
173.12863	2.2
175.07146	16.1
183.11316	4.8
184.09723	2.3
185.02913	1.2
185.06602	3.0
187.04529	2.7
189.08678	1.4
193.08218	47.5
197.06581	2.0
201.12349	100.0
202.12584	1.6
203.04028	22.7
213.06078	1.2
215.07481	1.3
215.13876	1.6
217.01868	7.1
221.05040	6.6
227.07762	1.6
229.11870	22.8
247.65289	1.2
270.14606	1.4
275.09985	2.3
277.04013	1.5
287.09778	15.8
288.15588	1.3
291.07483	1.2
293.10773	3.8
298.14001	1.6
305.10828	4.7
309.08472	1.3
313.08191	1.1
316.14920	6.1
334.69620	1.0
385.17130	1.2
397.15652	1.0
403.18158	3.2
421.11847	11.7
421.17001	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	421.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06199	2.4
53.03942	2.6
53.32159	2.6
55.01868	10.0
55.05509	18.5
56.05033	2.7
58.99591	31.3
64.21008	2.9
67.05502	14.0
69.07072	8.2
70.06591	16.9
70.76006	5.4
72.08170	15.4
74.00685	3.0
76.02235	100.0
76.04002	4.5
77.56935	2.3
79.05494	10.9
81.03405	5.2
81.07060	9.8
83.08623	11.9
84.04507	6.5
84.08146	22.3
85.01082	2.8
85.08502	2.7
86.00655	10.1
86.09704	11.0
86.38435	2.6
86.99080	13.2
88.02229	8.2
91.05493	18.3
93.07047	10.9
95.08611	6.8
97.01123	3.6
97.02908	8.2
97.06511	4.6
97.10181	13.9
105.07036	10.6
107.04966	11.0
107.08586	9.7
109.02892	39.0
109.10180	2.9
110.99016	7.4
111.02666	4.0
111.08085	6.5
113.00585	6.0
114.00125	29.8
116.01691	40.5
117.06988	4.7
119.08573	5.7
120.08146	13.3
121.06487	2.9
125.09608	11.7
128.06209	2.5
129.10255	10.0
130.04961	5.4
131.08592	3.6
133.04333	7.5
133.10164	16.4
135.08076	4.3
136.07603	3.7
138.00078	4.3
140.01636	6.7
141.00082	4.1
143.02765	11.1
143.08562	8.3
144.01132	18.6
145.06226	2.7
153.09079	5.1
156.01123	17.7
161.09688	19.6
162.02203	41.4
162.12996	2.7
171.08052	6.2
171.14975	3.6
179.04872	53.8
179.10725	7.7
185.03790	7.4
187.07588	3.0
189.03290	9.7
189.09143	19.5
189.11090	5.6
191.08971	3.5
207.10213	11.4
213.03333	16.2
215.07072	6.0
225.11217	46.2
229.08948	82.0
236.11136	4.4
237.09421	6.6
241.02788	3.5
243.12288	3.5
254.12096	8.3
257.08484	7.9
259.03821	8.5
264.10657	11.1
275.09503	4.1
282.11597	28.2
300.12744	17.1
310.11038	30.7
318.13882	7.0
321.12473	3.7
324.12451	4.1
328.12119	9.7
339.13766	35.1
357.14804	8.6
367.13159	33.2
368.11880	3.2
385.14401	22.7
403.15344	83.0
404.15567	2.8
420.71967	3.1
421.16446	15.4
421.24496	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	420.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.05515	3.9
55.69689	0.5
56.05042	4.3
67.05177	0.8
67.05508	10.4
68.05022	2.6
69.03426	0.6
69.07073	3.7
70.06598	57.6
72.08157	1.2
79.05499	7.8
81.03416	1.2
81.07066	7.8
82.07423	0.6
83.04922	0.6
83.08626	1.5
86.06079	10.4
86.41593	0.6
87.04439	0.7
91.05492	5.1
92.93822	0.5
93.07060	10.0
95.04980	1.0
95.08611	6.5
96.08133	4.3
98.06079	0.9
107.05025	0.6
107.08606	3.1
109.06499	1.0
109.10162	1.7
111.04468	0.6
114.05541	26.5
114.09174	32.7
116.42861	0.8
117.07063	1.2
119.08581	2.3
121.10165	2.8
123.11726	0.6
127.03938	0.6
129.07108	0.7
131.08563	1.9
133.10092	1.3
135.11659	1.0
142.08647	69.3
143.08939	0.6
145.10155	0.8
149.13268	0.6
160.09705	100.0
161.10081	1.1
173.13089	0.6
184.07349	2.1
276.20300	0.7
319.26367	2.8
374.30597	2.2
420.31100	78.0
421.31522	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.01875	1.9
55.03383	1.4
55.05516	5.7
57.07076	1.4
67.05222	1.4
67.05513	11.6
69.03085	1.6
69.03440	14.3
69.07059	4.8
71.50580	1.4
75.54311	1.2
79.05507	9.7
81.03436	1.6
81.07057	13.9
83.04964	2.1
85.02912	1.8
85.06534	1.3
91.05482	10.0
93.07053	10.4
95.04965	3.3
95.08620	12.5
97.06526	4.4
97.10174	1.5
105.07036	10.3
107.04947	2.1
107.08603	16.0
109.06548	6.1
109.10174	17.9
111.04413	2.1
111.08070	5.2
115.05510	1.7
117.07030	3.2
119.08602	8.1
121.06537	9.2
121.10142	8.4
123.08066	5.3
123.11705	6.8
125.06083	2.8
125.09647	4.4
125.50081	1.1
127.07678	1.2
128.06245	5.9
129.07010	4.2
131.08546	4.3
133.06503	1.8
133.10121	5.1
135.08070	10.9
135.11702	4.3
137.09619	6.2
139.07539	2.2
139.11148	1.5
141.06985	2.6
142.07761	2.8
143.08585	12.2
145.06491	3.2
145.10143	4.9
147.08083	11.1
147.11682	4.0
149.02290	1.5
149.09605	3.2
149.13348	2.4
151.07494	2.8
153.07019	3.4
153.09103	2.8
155.08554	8.5
155.10634	2.0
157.06470	2.0
157.10138	7.1
159.08026	3.2
159.11719	4.1
161.09648	4.3
161.13266	2.2
162.07779	1.5
163.11192	2.3
165.07092	2.3
167.08554	4.7
168.09334	2.0
169.10149	7.1
171.08072	100.0
171.11708	2.5
172.08360	1.6
173.09599	4.1
173.13293	3.2
175.11217	4.5
177.12758	2.2
178.07767	2.0
179.08592	9.4
180.09340	2.0
181.06400	2.7
181.10088	5.5
182.07236	4.1
183.08075	9.8
183.11705	6.3
184.07414	2.2
185.09654	5.1
185.13293	2.5
187.11159	2.0
187.14912	1.5
190.07695	1.9
191.08589	2.3
191.14418	1.7
192.09364	1.9
193.10234	6.2
193.11880	1.2
194.07283	2.8
195.08060	8.1
195.11760	6.4
196.08847	7.2
197.09650	35.8
197.13333	2.8
199.11201	3.2
203.08549	2.2
205.10146	2.9
206.10945	2.0
207.11703	3.3
208.08855	11.2
209.09650	15.1
209.13174	1.6
210.10408	3.4
211.09306	2.2
211.11212	31.1
211.14670	1.4
213.12775	3.0
217.10106	2.5
218.10921	1.6
219.11729	2.3
221.09610	6.5
221.13187	2.4
222.10454	6.2
223.11188	30.6
223.13258	1.8
224.11839	2.0
225.12746	11.2
227.14459	1.7
233.09549	1.5
233.13239	2.1
234.10420	2.2
235.11188	8.7
236.12010	4.0
237.12798	10.8
239.14331	9.1
247.11108	3.0
247.14746	5.9
248.12007	3.3
249.12828	7.6
249.16374	1.7
250.13574	1.5
251.14308	17.2
260.12094	1.5
261.12802	4.6
262.13541	2.9
263.14349	10.1
264.15112	1.8
265.15915	54.4
266.16431	2.0
267.17426	4.9
274.13495	2.1
275.14114	1.7
276.15128	1.7
277.15814	5.8
289.15964	3.5
290.16370	1.3
291.17450	22.2
293.19019	1.6
303.17450	2.7
305.19000	5.3
306.19705	2.0
317.19504	1.5
331.20554	1.2
373.25229	4.6
383.23676	5.0
401.24734	18.0
419.25827	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.9
53.38012	0.7
55.05516	5.3
57.03418	0.9
57.57160	0.8
59.04999	0.9
67.05502	10.3
69.03086	0.9
69.03432	10.6
69.07065	4.3
69.59721	3.3
69.60133	1.8
79.05486	7.7
81.07060	12.5
81.33847	0.7
83.04967	2.2
83.08605	1.9
85.06561	1.2
91.05495	5.3
93.07052	7.4
95.04962	1.9
95.08600	11.6
97.06526	2.8
97.10194	0.8
103.05457	1.0
105.07027	8.3
107.04956	1.7
107.08591	13.6
109.06507	5.6
109.10157	14.5
111.04454	2.4
111.08067	3.2
115.05471	2.3
117.07007	3.0
119.08590	6.9
121.06487	5.2
121.10140	6.7
123.04475	1.2
123.08089	3.4
123.11695	4.5
125.05990	4.1
125.09609	2.7
128.06219	6.7
129.07011	4.0
129.28815	0.8
131.04964	0.8
131.08607	4.6
131.09512	1.0
133.06494	1.5
133.10120	6.0
134.60497	0.7
135.08046	7.7
135.11702	4.2
137.09612	4.5
137.13208	1.3
139.11174	1.5
141.06996	2.2
142.07800	2.7
143.08569	12.1
145.06503	2.8
145.10127	5.8
147.08044	6.1
147.11690	2.5
149.09634	4.0
149.13251	1.9
151.07559	4.1
151.11189	2.3
152.06200	1.3
153.07013	3.0
153.09093	3.7
154.07788	1.0
155.06100	0.9
155.08577	8.8
155.10652	1.5
157.06621	0.9
157.10121	4.9
158.07216	1.7
159.08041	3.7
159.11665	4.7
160.08820	1.5
161.09663	2.9
161.13248	1.2
163.11165	2.8
163.14880	1.0
165.07045	3.4
166.07735	1.2
167.08565	3.6
169.10155	6.7
171.08054	100.0
171.11729	2.9
172.08423	1.8
173.09645	4.9
173.13266	3.4
175.11211	4.7
177.12808	2.4
178.07747	2.3
179.08556	7.1
180.09344	2.3
181.06470	1.8
181.10114	5.2
182.07300	3.8
183.08043	6.6
183.11694	4.6
185.09604	4.3
185.13237	2.7
187.11145	2.0
189.12801	1.7
191.08612	1.8
192.09360	1.5
193.10152	6.1
193.12054	1.3
194.07304	2.5
195.08075	5.3
195.11742	5.1
196.08861	7.1
196.12547	0.9
197.09622	31.8
197.13295	3.3
199.11160	2.1
199.14734	1.0
204.09480	1.1
205.10086	3.9
206.10849	1.4
207.08109	1.0
207.11725	3.5
208.08852	7.2
209.09616	12.0
209.13252	2.1
210.10396	3.8
211.11185	29.2
213.12788	2.2
217.10190	0.8
218.10780	1.3
219.11633	1.6
220.09047	1.0
221.09633	5.1
221.13261	2.3
222.10362	4.5
222.14052	0.9
223.11197	23.3
223.14656	1.5
224.11894	1.1
225.12769	11.5
227.14293	1.4
231.11731	1.0
232.12437	1.5
233.09660	1.9
233.13246	1.4
234.10432	2.0
235.11189	7.0
235.14864	1.4
236.11983	3.2
237.12744	10.4
237.16357	1.1
239.14296	5.8
243.17525	1.0
246.10538	0.8
246.14084	0.9
247.11150	1.8
247.14821	3.6
248.11998	2.9
249.12772	5.2
249.16406	2.1
250.13445	1.7
251.14311	16.1
253.15941	1.3
261.12842	2.3
262.13507	2.0
263.14322	10.1
263.17148	1.1
263.18051	0.9
264.30701	0.8
264.50348	0.8
265.15891	39.1
266.16388	1.5
267.17502	5.3
273.16315	1.2
274.13547	1.0
275.14392	1.1
276.15121	1.8
277.15845	3.9
279.13889	0.9
279.17487	2.5
289.16049	4.0
289.18927	1.0
290.16495	1.7
291.17426	19.4
291.20648	1.4
293.18991	1.5
301.15823	1.2
303.17502	2.6
305.15735	1.1
305.19064	3.0
306.19836	1.0
307.16614	1.1
309.18399	1.5
311.20181	0.9
313.15842	1.0
317.19031	1.2
343.20432	1.1
345.21988	1.5
373.25357	3.7
383.23657	3.3
401.24747	19.4
408.98770	0.7
419.25809	35.2
420.26016	1.8
433.49457	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.2
55.05517	13.8
57.03423	2.2
60.27170	1.7
65.03954	2.1
67.05511	22.6
69.03432	34.1
69.07067	7.0
69.57635	4.2
69.58045	10.2
71.04977	2.0
79.05502	15.8
81.07062	33.3
83.04984	11.4
83.08606	3.5
85.06555	4.0
91.05481	19.7
93.07046	16.9
95.04966	7.3
95.08610	26.5
97.06528	3.4
103.05482	1.7
105.07029	28.1
107.04964	6.6
107.08598	28.1
109.02946	2.2
109.06520	15.9
109.10166	29.5
111.04456	9.2
111.08070	11.5
115.05429	3.8
116.06230	2.1
117.07037	10.4
119.08582	23.2
121.06516	14.0
121.10143	19.9
123.04472	1.9
123.07248	2.8
123.08024	10.7
123.11716	9.4
125.06011	4.9
125.09636	8.0
127.07555	3.8
128.06232	10.9
129.07051	11.6
131.08589	18.7
133.06505	6.0
133.10144	21.1
135.08064	19.0
135.11687	8.5
137.09628	29.6
137.13225	2.4
139.11169	5.0
141.06985	9.1
142.07787	13.7
143.08568	39.9
144.05653	2.2
144.09332	2.3
145.06502	8.3
145.10114	16.6
147.08057	17.9
147.11685	12.3
149.09642	21.2
149.13225	4.2
151.07573	3.7
151.11214	4.8
152.06314	3.5
153.07050	5.2
153.09079	4.2
154.07785	2.6
155.08557	20.3
155.10616	4.2
156.09335	4.6
157.06537	3.7
157.10138	37.3
158.07286	2.6
158.10872	3.5
159.08078	11.1
159.11678	13.7
160.08826	11.1
161.09633	14.1
161.13274	5.3
163.11203	7.1
165.07031	8.8
167.08580	10.5
168.09380	6.8
169.10132	29.3
171.08058	72.2
171.11690	18.0
173.09651	7.2
173.13290	6.6
175.11185	34.1
177.12733	12.3
178.07802	4.8
179.08575	17.8
179.14302	6.0
180.09386	7.6
181.06511	5.4
181.10106	24.9
182.07300	7.4
182.10925	5.2
183.08138	5.0
183.11688	18.4
184.07375	2.1
184.12373	2.7
185.09691	10.1
185.13290	13.3
187.11171	2.9
187.75699	2.0
191.08560	5.7
191.14278	2.7
192.09322	6.1
193.10138	18.6
193.11734	2.8
194.10947	5.8
195.08099	13.0
195.11703	25.6
196.08810	11.1
196.12431	8.4
197.09631	49.1
197.13293	11.6
199.11224	4.6
199.14893	2.7
203.08530	3.0
204.09337	3.6
205.10107	10.2
206.10938	6.6
207.08072	3.4
207.11719	15.0
208.08922	14.0
208.12375	2.3
209.09593	21.0
209.13287	15.2
210.10435	9.6
210.14014	2.9
211.11201	29.6
211.14552	9.4
213.12753	5.4
217.10181	3.8
218.10963	6.4
219.11717	8.9
220.08701	2.0
220.12482	4.8
221.09668	7.9
221.13249	17.6
222.10428	10.2
222.14142	3.4
223.11208	35.6
223.14677	11.2
224.11871	2.4
225.12766	23.9
225.16360	2.7
227.14384	4.7
229.10190	3.6
230.10823	2.7
231.11707	2.5
232.12463	4.6
233.09637	2.7
233.13261	9.0
234.10373	6.7
235.11223	17.3
235.14827	7.5
236.11961	6.8
237.12747	18.5
237.16408	9.2
239.14325	38.6
241.12257	2.7
241.15825	4.6
243.11835	2.2
245.13316	4.2
246.10567	2.4
246.13849	1.9
247.11308	5.4
247.14888	12.3
248.11884	3.1
249.12759	12.1
249.16396	6.3
250.13564	4.8
251.14363	31.0
253.12096	2.7
253.15970	4.4
257.15610	2.4
258.14175	4.0
259.14749	2.6
260.15738	2.9
261.12781	6.8
261.16473	4.1
262.13593	3.4
263.14334	22.1
263.17587	3.5
264.15085	2.3
265.15891	100.0
266.16547	9.1
267.17374	10.0
273.16367	7.4
275.14273	4.8
275.17917	3.7
276.15033	9.2
277.15979	9.8
279.17471	7.3
281.15427	4.3
283.59488	2.1
289.13007	2.2
289.15924	9.4
290.16544	7.2
291.17447	77.1
292.17963	4.6
293.18881	9.9
301.19559	2.5
303.17502	3.6
305.18890	5.6
307.16983	6.0
309.18631	13.5
319.20285	2.5
331.16901	3.0
333.22079	3.3
334.23087	2.4
337.21576	3.0
343.20734	2.5
351.18613	2.2
351.22824	2.3
373.25323	14.9
383.23633	14.9
391.26273	3.7
401.24762	65.2
402.25006	4.6
419.25815	92.1
420.26080	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	419.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
54.80140	0.8
55.01873	1.8
55.05516	6.7
57.03435	1.5
57.07065	1.9
67.05505	14.3
69.03137	0.8
69.03437	9.3
69.07071	7.9
69.47444	4.9
71.05013	1.0
71.08543	0.8
79.05080	1.0
79.05493	10.6
79.76713	0.8
81.03432	1.4
81.07056	18.4
83.04977	2.6
83.08627	3.5
85.06538	2.3
91.05483	10.9
93.07055	11.8
95.04965	3.0
95.08614	18.3
97.06529	9.4
97.10165	1.8
98.21569	1.5
103.05435	1.2
105.07034	13.0
107.04958	3.2
107.08601	20.3
109.06530	10.9
109.10159	21.4
111.04453	2.1
111.08084	8.5
115.05444	2.6
117.07023	5.5
119.04922	1.0
119.08584	12.2
121.06506	12.7
121.10150	11.6
123.04489	0.9
123.08070	5.3
123.11742	5.9
123.67711	0.8
125.06007	10.3
125.09618	7.5
128.06221	4.8
129.07016	4.4
131.08594	8.8
133.06493	2.9
133.10133	8.7
134.11057	0.8
135.04413	2.0
135.08075	8.6
135.11679	7.3
137.09637	9.0
137.13257	1.6
139.07527	2.3
139.11156	2.9
141.07004	3.6
142.07799	3.2
143.08574	16.2
144.09352	1.6
145.06480	4.5
145.10153	9.6
147.08047	8.6
147.11711	4.7
149.09637	4.1
149.13283	3.5
151.07576	2.0
151.11119	1.2
152.06194	1.8
153.06976	3.1
153.09105	4.3
154.07820	2.6
155.08575	7.8
155.10695	3.6
156.09334	2.0
157.06534	2.0
157.10139	9.3
158.07315	1.4
158.10872	1.1
159.08070	7.4
159.11697	7.2
161.09647	5.2
161.13287	3.1
163.11282	3.7
163.14813	2.4
165.07042	3.2
165.12741	0.9
166.07744	2.0
167.08582	6.5
168.09387	2.3
169.06522	1.2
169.10129	10.5
170.07306	1.2
171.08060	81.9
171.11673	8.2
172.08502	1.9
172.12398	1.3
173.09633	11.8
173.13254	5.6
175.11208	6.3
177.12761	2.6
178.07718	4.6
179.08551	10.6
179.14302	2.2
180.09372	3.1
181.06522	3.0
181.10136	7.2
182.07228	4.8
182.10899	1.9
183.08044	3.0
183.11702	10.9
184.08754	1.0
184.12453	1.3
185.09618	9.8
185.13200	4.0
187.07539	1.9
187.11208	4.8
187.14816	2.0
189.12743	1.5
189.16432	1.6
190.07721	1.4
191.08565	2.8
191.14342	2.2
192.09323	3.0
193.10141	13.7
194.07301	4.2
194.10922	4.0
195.08035	8.1
195.11708	8.9
196.08810	6.4
196.12393	1.3
197.09628	38.4
197.13248	5.4
198.10234	1.1
199.11201	7.9
199.14857	2.7
201.12685	1.9
203.08591	1.9
203.14407	2.3
204.09293	1.6
205.10141	6.1
206.10915	2.1
207.08054	2.3
207.11761	4.9
208.08824	13.0
209.09616	16.3
209.13161	5.8
210.10381	3.2
210.14061	1.1
211.11189	37.3
211.14842	2.7
212.11612	1.1
213.12805	5.9
213.16467	1.6
215.14186	1.1
216.09386	1.0
217.10216	2.7
217.15933	0.8
218.10948	1.9
219.08093	1.2
219.11700	4.9
220.08841	1.3
220.12427	1.4
221.09642	22.7
221.13051	4.5
222.10359	5.4
222.13953	1.2
223.11191	34.3
223.14859	2.5
224.11810	2.2
225.12701	8.4
225.16313	1.9
226.13483	1.0
227.14301	1.7
229.10153	1.1
229.15982	1.6
230.10988	2.3
231.08195	1.2
231.11711	2.8
232.12444	1.4
233.09659	2.1
233.13306	3.8
234.10335	2.8
234.14044	1.5
235.11208	11.0
235.14906	2.2
236.11919	2.9
237.12727	19.2
237.16521	2.4
238.13332	1.3
239.10677	2.4
239.14368	4.7
239.18091	1.1
241.15915	1.4
243.11761	1.8
243.17409	1.1
245.13300	2.8
246.10378	3.9
246.14029	1.6
247.11192	5.2
247.14893	3.6
248.11954	4.1
249.12744	10.0
249.16405	1.9
250.13422	1.9
251.14314	9.4
251.18069	1.3
253.12302	1.4
253.15843	1.9
256.12500	1.2
258.14194	0.9
259.11276	1.2
259.14728	1.7
260.11984	2.7
261.12787	13.6
261.16388	2.0
262.13556	5.1
263.14343	18.5
263.17465	1.1
264.15106	3.5
265.12802	1.2
265.15878	27.9
265.19504	2.3
266.16238	1.4
267.13794	0.8
267.17407	4.9
270.14026	1.1
273.12714	1.2
273.16394	2.0
274.13535	1.8
275.14267	4.7
275.17868	0.8
276.15073	3.4
277.15891	9.1
279.13818	17.4
279.17383	3.0
281.15482	3.5
281.18762	1.0
283.17184	1.1
285.16013	1.2
289.15833	5.3
291.17453	38.8
292.18039	1.4
293.15430	1.8
293.19031	3.1
295.16986	1.3
295.20459	1.9
301.16019	1.2
303.17456	4.6
305.19031	3.9
306.19739	4.8
307.16962	2.9
307.20248	1.3
309.18561	2.9
313.15894	1.3
315.21243	1.0
317.15381	1.6
317.18875	1.8
319.17014	1.0
325.21899	1.3
333.18469	1.8
337.21579	1.3
341.18866	1.2
343.20609	1.3
345.22171	2.1
349.17853	0.9
350.11124	1.0
351.23083	1.5
355.24496	0.8
357.22055	0.9
373.21326	1.2
373.25391	8.6
383.23822	7.2
391.26520	1.9
401.24762	36.1
401.30063	1.8
402.25000	2.1
419.25833	100.0
420.26172	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	419.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41671	0.5
53.03927	0.6
55.05514	8.4
56.05040	2.7
57.05821	0.6
58.06588	0.7
60.04224	0.9
60.04526	13.2
60.18444	0.5
68.05017	0.8
69.03434	0.6
69.07075	3.8
70.02983	0.6
70.06591	10.1
71.06936	0.6
71.08630	0.5
71.40894	0.6
71.41249	1.0
72.04526	0.7
72.08157	100.0
73.08500	1.3
74.06074	4.6
78.51401	0.6
79.05495	1.1
81.04531	0.6
83.06123	0.6
84.04509	2.4
84.08146	6.6
85.02905	1.9
86.09709	53.9
87.05618	1.1
87.10034	1.3
91.05495	1.7
95.06097	0.6
97.02889	0.7
97.67459	0.5
98.06062	6.5
98.09705	1.2
101.07158	1.4
102.05556	1.3
109.93042	0.5
110.07155	1.1
110.09695	1.4
112.04021	1.6
112.08717	0.8
112.11254	1.0
115.08742	0.8
116.07098	18.5
116.93860	0.5
120.08111	3.1
123.04429	0.9
125.06081	0.6
125.07134	1.0
127.12328	0.8
128.10696	1.1
129.10245	3.8
132.10173	3.1
133.06435	0.6
136.07613	0.9
138.09192	1.1
142.08707	1.7
143.08113	4.4
145.06184	0.7
147.04424	0.7
147.07663	0.6
147.27287	0.6
155.11806	1.9
160.09709	0.9
161.09198	5.6
163.03908	0.9
171.07658	13.0
173.09308	1.1
173.12872	11.6
183.11362	2.4
189.08717	8.8
201.12315	8.4
219.13359	7.2
225.12408	2.5
231.17059	16.5
242.15065	2.0
270.14493	19.6
287.05334	0.6
288.15640	2.5
294.06015	0.6
296.19800	2.1
306.16721	0.8
331.12985	0.6
401.24161	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	419.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.0
53.84005	3.0
55.05510	31.5
55.49683	2.5
57.07080	2.8
61.02929	4.1
63.63752	2.7
65.03945	2.9
67.05512	43.5
67.93436	3.0
69.07075	25.4
70.06577	3.5
70.19861	3.0
70.80882	7.5
72.08170	4.0
79.05498	37.6
81.03413	3.4
81.07054	97.0
81.96394	2.7
83.08617	12.5
85.02885	6.1
91.05484	35.2
93.07049	100.0
93.07631	4.9
95.04978	16.2
95.08609	74.3
95.09177	5.3
97.06546	7.2
97.10169	12.1
105.04530	4.5
105.07035	69.3
107.08595	77.4
107.09316	5.2
109.10159	55.3
110.28400	2.7
113.99707	2.7
117.07024	11.2
119.08586	68.1
121.06469	5.2
121.10146	74.6
123.08077	5.5
123.11716	13.8
125.09604	5.9
129.06973	6.2
131.08568	31.8
133.06517	3.1
133.10141	40.4
135.08110	3.9
135.11691	29.6
137.09653	3.8
137.13271	3.7
142.07732	3.3
143.08556	13.2
144.09317	8.2
145.10136	38.5
147.07997	4.4
147.11670	34.8
149.09627	5.1
149.13261	59.3
155.08586	6.5
156.09262	3.6
157.10135	20.5
159.11708	57.7
161.09636	9.7
161.13249	27.9
163.11186	4.4
163.14839	23.1
169.10156	13.9
171.08060	4.7
171.11647	13.8
173.09615	4.7
173.13254	48.5
175.11273	13.8
175.14819	35.9
177.12846	3.4
177.16414	4.9
183.11711	8.2
185.13281	10.0
187.11168	5.4
187.14821	83.8
189.12769	6.9
189.16434	8.6
190.87183	2.9
191.17973	4.6
197.13252	11.4
199.14877	3.7
201.12627	2.9
201.16364	21.7
203.17958	11.2
211.14836	17.1
213.16449	4.5
215.14386	6.5
215.17975	6.0
223.11205	3.1
225.16406	9.4
227.18030	17.9
229.15948	3.5
229.19522	48.2
250.33241	2.7
257.22659	63.0
258.23126	3.3
267.21048	29.3
285.22104	34.1
419.25284	17.6
432.69437	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	418.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	12.8
56.05037	5.9
61.02938	5.5
65.45982	4.1
67.05494	11.1
69.03385	5.5
69.07048	8.9
69.84856	23.3
70.06608	27.2
71.01864	4.2
71.04984	10.6
72.08143	16.4
79.05492	18.8
81.03407	5.9
81.07049	12.5
82.35262	4.7
83.08618	5.9
84.04502	10.8
84.08147	15.9
85.02910	10.0
86.06080	6.8
86.09715	11.0
91.05491	17.4
93.07052	20.0
95.04971	9.4
95.08611	9.3
97.06540	9.5
99.04388	4.4
105.07041	23.3
107.04984	6.8
107.08613	21.3
109.06489	5.7
109.10172	9.2
112.11243	6.5
117.07015	10.3
119.08569	12.4
120.08096	10.4
121.06508	5.6
121.10146	19.0
127.07537	8.6
128.66354	4.5
129.10266	9.5
131.08583	4.8
133.10138	10.4
135.11681	13.8
139.07574	26.6
145.10117	40.6
151.07510	8.1
163.11189	100.0
166.15950	4.9
167.07033	11.9
179.14357	12.2
181.05028	10.3
203.14366	6.7
221.15405	27.9
260.78943	4.5
278.71317	4.4
328.66312	4.9
386.22910	9.0
407.53961	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	3.1
56.05016	1.5
57.03419	1.1
59.04990	2.1
61.02916	4.1
63.02374	1.4
67.05511	1.4
67.17801	1.1
68.05016	5.0
68.40842	1.3
69.07038	1.4
69.95403	5.8
70.06583	6.8
71.04983	5.0
72.08162	5.4
79.05520	2.6
80.05012	1.9
81.04545	1.8
81.07048	8.9
83.06115	5.7
84.04507	2.8
84.08140	4.5
86.09706	10.2
87.10046	1.3
89.03922	14.6
91.05469	1.3
95.06097	83.1
97.18508	1.1
102.79572	1.1
106.04206	1.1
107.06083	6.3
109.07648	1.2
112.08738	40.6
113.09653	1.1
117.03393	42.7
119.06073	2.5
120.08053	2.8
121.07624	2.9
129.10229	2.4
133.07652	7.0
134.03654	2.4
135.04416	1.2
138.06627	4.7
141.98994	1.2
145.02858	98.3
149.06009	11.7
149.10695	1.4
151.12282	4.0
163.12323	40.9
175.12318	87.7
176.12642	1.5
177.05484	77.4
181.13341	1.8
184.63191	1.2
192.14978	18.4
192.16560	2.0
193.13376	11.9
210.16031	34.6
224.17570	2.6
225.15997	17.2
242.18646	85.3
243.18951	2.2
268.16614	3.9
288.13486	2.3
368.15311	2.4
368.19720	29.6
386.20770	13.6
400.22269	3.5
418.17810	12.0
418.23346	100.0
419.23532	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	418.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	1.4
56.70451	0.9
57.28310	0.8
57.81324	0.8
60.04537	1.3
61.02928	1.4
62.21277	0.9
69.03439	1.8
70.06590	6.6
71.18020	1.7
72.04192	0.9
72.08178	6.9
74.06082	4.0
81.03414	1.0
84.04492	2.4
84.08168	4.2
85.02914	7.7
86.09697	6.5
87.04491	1.7
89.06038	76.5
97.02900	2.1
100.74326	0.8
101.07143	1.0
127.03905	1.2
129.10245	2.0
132.10158	1.3
133.08612	39.1
145.04919	0.9
150.43094	0.9
151.09665	3.1
163.03938	1.4
173.12947	1.3
177.11253	9.1
195.12206	2.6
201.12135	0.9
239.14900	100.0
240.15300	1.3
246.14650	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48290	0.7
53.03933	2.7
55.01875	51.3
55.05507	1.0
56.05069	0.8
57.03447	3.6
57.03672	0.7
61.02901	0.9
67.05477	1.2
67.53014	0.6
68.05022	3.0
69.03432	12.4
69.07076	5.3
70.06599	7.0
70.87766	1.7
71.04992	1.5
72.08163	6.9
73.02917	9.2
73.08478	1.1
78.79156	0.6
79.05496	21.2
80.05029	5.4
81.03423	21.0
81.07049	1.8
83.04972	3.1
84.04504	2.3
84.08134	3.3
85.02914	8.7
86.09230	0.9
86.09712	10.6
86.94540	0.6
87.10046	2.2
95.04977	3.2
96.04483	1.1
96.08122	1.1
97.02904	15.4
97.06535	80.8
98.06053	14.8
98.06711	1.2
99.04456	5.2
105.04565	0.8
107.04965	6.0
108.04482	0.8
109.02880	9.8
115.07574	14.8
115.08747	0.7
116.07079	2.8
120.08077	1.4
124.07615	6.0
125.05997	49.5
126.05538	1.6
127.03914	9.3
129.10243	1.6
139.48428	0.6
140.97852	0.6
142.08640	100.0
143.07027	0.8
143.08971	0.9
145.04964	5.5
145.05965	0.8
147.04398	0.8
160.09698	54.4
161.09941	0.8
166.80408	0.7
173.12895	0.9
202.10748	0.9
206.08162	1.5
223.09572	1.3
228.36308	0.7
232.09886	1.6
241.10712	23.4
250.10802	3.9
259.11789	12.1
268.11835	0.9
356.17337	1.0
364.17493	2.5
370.53580	0.7
382.18719	2.4
400.19601	6.9
418.20709	16.2
419.21408	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11116	5.4
55.05511	23.3
57.03428	14.1
57.07064	10.0
59.04988	6.6
67.05512	38.0
69.03431	7.0
69.07085	31.7
69.57858	24.7
69.58274	13.0
71.05002	76.2
73.02921	7.5
79.05487	27.5
81.07067	83.1
83.04981	17.1
83.08633	10.9
85.02912	71.6
87.04492	7.1
89.13218	5.0
91.05482	22.1
93.07059	53.3
95.04968	10.1
95.08060	7.9
95.08616	81.5
97.02843	5.8
97.06537	13.5
97.10189	6.3
99.04496	9.1
101.38323	4.8
105.07032	55.9
107.08607	57.8
109.10174	62.4
111.04448	8.6
119.08597	70.4
121.10158	45.1
123.11706	27.3
129.05489	22.9
129.07018	10.9
131.08591	23.1
133.10141	34.2
135.11717	31.6
139.47836	5.2
142.07755	8.0
143.08578	17.7
145.10146	41.5
147.11705	29.0
149.13251	25.2
153.05556	5.5
155.08627	7.9
157.10130	26.7
159.11705	56.8
161.13229	31.6
163.14787	12.3
166.15382	5.5
169.10136	7.9
171.11710	29.2
173.13272	33.1
175.14836	20.5
183.11722	8.3
185.13316	21.6
187.14801	17.8
189.16418	10.8
193.10120	4.9
197.13301	9.4
199.14876	20.5
201.16351	25.6
203.17865	7.0
209.13243	7.9
211.14830	12.3
213.16386	21.2
215.18007	13.9
217.19672	6.7
225.16403	6.8
227.18033	11.6
241.19534	8.4
243.21115	9.1
253.19435	7.9
255.21191	12.4
257.22687	29.1
269.22699	34.2
271.24258	9.2
281.22678	11.7
283.24106	9.6
295.24197	6.3
325.25275	6.1
337.25229	8.0
355.26392	6.7
381.27829	14.6
399.29013	27.3
417.30045	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.5
55.01845	3.5
55.05500	14.4
57.03440	9.9
57.07076	5.3
59.05002	4.2
62.92345	3.5
65.98299	3.6
67.05505	35.4
69.03421	6.6
69.07072	24.9
70.57194	10.3
71.04993	43.6
73.02921	5.7
79.05486	24.5
81.06596	5.2
81.07063	79.2
83.04977	11.0
83.08619	10.6
85.02911	54.0
87.04479	6.8
91.05470	24.4
93.06503	3.6
93.07056	48.3
93.39527	3.6
95.04984	8.9
95.08618	56.7
97.02874	6.1
97.06519	4.1
97.10143	4.6
98.98457	6.3
99.04453	4.8
105.07040	48.7
107.08613	41.4
109.06495	7.6
109.10159	43.5
111.04419	7.7
117.07022	8.4
119.04945	4.1
119.08600	54.3
121.06558	4.7
121.10131	39.2
123.08063	7.9
123.11723	12.5
129.05481	16.5
129.06978	3.8
131.08595	21.4
133.10117	22.1
135.11696	17.2
137.05943	3.7
137.13263	5.4
142.07700	5.9
143.08592	18.5
145.10143	35.8
147.04362	4.5
147.08022	5.1
147.11699	27.9
149.13274	16.2
155.01024	9.9
155.08496	7.9
156.09358	4.7
157.10126	23.0
159.11702	37.1
161.09612	7.4
161.13281	23.7
163.11200	4.3
163.14799	9.4
169.08710	3.4
169.10144	10.6
171.11697	18.7
173.13322	22.6
175.14825	14.0
177.16400	7.6
183.11670	11.5
185.13226	13.5
187.14838	9.9
189.16393	8.6
195.11722	4.9
197.13229	10.5
199.14827	15.0
201.12665	3.6
201.16359	16.2
203.17992	4.2
209.13220	4.5
211.14790	7.2
213.16338	13.5
215.17961	13.5
221.13303	3.4
223.14810	5.3
225.16306	7.0
227.17964	8.6
229.19504	7.6
239.18028	5.3
243.21104	4.4
253.19476	5.1
255.21138	11.7
257.22653	19.9
269.22552	32.3
271.24139	10.3
281.22684	8.7
283.24170	6.9
325.25168	8.0
337.25119	5.5
381.27875	13.3
399.29221	20.3
399.33673	3.6
409.04388	3.5
417.30023	100.0
417.35928	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	417.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.7
55.05511	18.2
57.03449	19.7
57.07069	10.6
67.05508	33.0
69.03429	11.0
69.07078	26.0
69.23940	32.9
71.05002	66.7
73.02911	12.9
74.17643	3.5
75.04482	4.2
77.72967	4.2
79.05489	22.2
81.07064	64.1
83.04977	14.3
83.08620	16.5
85.02911	66.1
87.04484	5.7
91.05464	27.2
93.07048	56.4
95.04987	11.6
95.08615	66.5
98.21627	7.9
99.04485	11.1
105.07024	53.7
107.08608	48.8
109.06496	7.1
109.10184	49.1
117.07006	7.2
119.08585	58.4
121.10163	38.8
123.08102	6.9
123.11734	16.4
125.05984	5.7
128.06264	4.7
129.05469	17.3
129.07025	8.0
130.07820	4.1
131.08554	23.2
133.10153	30.5
135.08060	8.6
135.11705	14.9
137.06058	4.5
137.13281	8.5
143.08553	15.6
145.10141	30.0
147.11681	34.7
149.13243	27.3
155.08549	6.5
156.09319	4.6
157.10179	13.9
159.11707	37.3
161.09651	4.5
161.13332	26.6
163.14818	13.5
169.10141	8.0
171.11670	21.4
173.13237	22.2
175.14830	13.4
177.12727	5.6
183.11719	6.6
185.13229	15.3
187.14825	12.8
189.16444	12.4
197.13223	6.6
199.14821	14.6
201.16406	15.8
203.18044	8.4
211.14828	8.5
213.16394	21.0
215.17957	20.2
225.16371	5.5
227.18054	5.9
229.19679	5.8
239.18025	6.1
241.19504	7.4
253.19579	5.6
255.21074	12.7
257.22668	21.4
267.21048	5.3
269.22681	29.1
271.24146	9.5
281.22742	11.0
283.24261	13.8
295.24393	5.1
311.52325	4.4
313.25482	8.2
325.25311	5.0
337.25024	5.3
381.27771	15.9
387.23825	4.1
399.28925	26.9
401.76077	4.4
417.30048	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.0
55.05507	18.6
57.03421	11.2
57.07068	7.5
57.24878	2.6
59.04998	3.8
61.02881	2.5
63.55093	2.8
67.05507	29.8
67.34464	2.6
69.03433	7.2
69.07076	23.6
69.20862	2.6
69.21184	27.9
70.43477	2.7
71.01349	2.9
71.04995	49.0
71.08630	3.4
72.15429	2.8
73.02910	9.4
75.04453	3.8
79.05506	19.4
81.07066	68.7
83.04559	2.8
83.04972	16.9
83.08620	10.2
85.02911	57.6
85.06565	3.2
87.04471	9.3
91.05485	16.6
93.07050	42.0
95.04957	7.6
95.08614	58.3
97.06525	3.7
97.10186	4.8
98.21595	3.6
99.04449	9.7
105.07040	48.7
107.08598	45.3
109.06509	7.3
109.10159	47.9
110.29391	2.6
111.04453	6.5
111.08107	3.9
111.11738	5.1
113.05994	2.7
117.07011	9.9
119.07820	4.1
119.08597	53.3
121.10146	36.4
123.08062	5.0
123.11724	20.9
125.05960	3.4
128.06238	4.7
129.05528	15.2
129.07028	4.4
131.07037	3.0
131.08568	19.2
133.10144	26.5
135.08055	5.6
135.11725	17.2
137.09648	3.4
137.13268	7.9
143.08566	16.4
145.10117	32.5
147.08086	3.0
147.11684	26.0
149.09602	3.2
149.13268	18.1
155.08592	7.3
157.10164	18.9
159.11708	40.2
161.09616	5.5
161.13284	23.6
163.14832	11.7
169.10141	10.0
171.11722	19.5
173.13246	23.4
175.11215	4.1
175.14803	13.6
177.16434	7.1
179.08553	3.2
181.10185	6.1
183.11746	8.7
185.13283	12.3
187.14758	17.3
189.16396	7.6
194.22244	3.1
195.11621	5.8
197.13274	10.5
199.14861	15.5
201.16389	14.6
203.17999	6.2
207.11761	3.1
209.13318	7.0
211.14772	6.8
213.16339	13.1
215.14398	3.4
215.17947	17.0
217.16219	3.0
223.14899	3.2
225.16425	4.9
227.17986	7.8
229.19545	4.8
235.14771	2.9
239.17972	5.9
241.19527	6.1
243.21036	4.1
253.19551	3.2
255.21182	10.6
257.22696	16.0
269.22647	27.1
271.24249	11.8
281.22693	7.8
283.24197	7.4
293.22726	3.7
295.24115	6.8
311.23615	2.8
313.25162	4.5
325.25272	6.2
337.25296	6.4
355.26483	3.1
363.26865	3.9
381.27905	11.8
399.28909	26.3
417.16776	5.2
417.29947	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3001
Annotation	Plakortolide K
Peak:m/z	Relative Intensity
51.97564	1.8
53.03936	2.9
55.05508	7.3
57.03442	4.7
57.07084	5.1
67.05508	15.0
69.03423	4.5
69.07074	12.5
70.95464	3.0
70.95776	3.0
71.01387	2.4
71.05000	24.2
73.02938	3.3
77.25757	1.8
79.05491	9.1
81.07054	24.0
83.04979	6.7
83.08654	5.3
83.68859	1.8
85.02912	24.9
91.05499	7.8
93.07049	18.5
95.05003	3.2
95.08619	25.7
97.06548	2.8
97.10158	1.9
98.98471	3.9
99.04468	3.0
105.07047	20.2
107.08602	23.0
109.06499	3.2
109.10165	21.3
111.04449	3.5
111.08089	2.4
117.07048	5.2
119.08598	25.9
121.10138	21.5
123.08096	2.6
123.11736	7.3
125.09612	2.4
129.05487	7.0
131.08551	9.5
133.10127	13.2
135.08057	3.1
135.11742	10.5
141.06955	2.5
143.08572	5.6
145.10156	14.9
147.11699	14.2
149.09608	1.9
149.13300	6.6
153.01805	1.7
155.01126	3.6
157.10158	8.5
159.11726	22.7
161.09647	2.0
161.13277	6.9
163.11227	2.2
163.14915	3.3
169.10127	5.0
171.11713	8.7
173.09654	2.2
173.13248	12.7
175.14853	7.1
177.16405	2.2
179.10612	2.2
183.11736	4.3
185.13301	4.6
187.14853	8.2
189.12810	2.5
189.16376	4.9
199.14870	6.7
201.16388	5.0
209.13303	3.8
211.14839	2.9
212.82689	2.2
213.16463	5.5
215.17993	9.0
227.17978	2.6
239.18071	2.4
241.19482	2.7
255.21294	3.9
257.22876	5.2
263.23584	2.4
269.22632	10.0
271.24179	5.1
281.22638	5.2
283.24265	4.9
295.24167	2.6
325.25519	2.4
363.26630	2.5
384.71286	2.3
399.29056	8.3
404.53024	1.9
417.29865	100.0
418.30228	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.6
55.05508	22.8
57.03436	15.2
57.07070	5.1
63.02437	5.2
65.03951	4.8
67.05515	26.8
69.03417	11.3
69.07076	30.0
69.50745	4.6
71.01351	6.6
71.04996	66.9
71.39842	9.0
73.02908	13.5
75.04493	6.2
79.05483	21.7
81.07053	77.3
83.04991	20.3
83.08620	12.2
85.02914	83.5
87.04482	7.3
87.33230	5.5
91.05470	17.8
93.07050	42.8
95.04970	8.6
95.08607	74.0
97.06528	11.2
97.10182	6.9
99.04436	6.1
101.34135	4.6
105.00247	4.7
105.07032	51.6
107.08598	50.0
107.28410	4.8
109.06508	11.1
109.10165	56.7
111.04440	10.5
111.08067	6.3
117.07026	12.7
119.08588	61.5
121.10162	47.8
123.08035	9.1
123.11719	18.8
125.06002	5.9
129.05487	24.9
129.07030	6.5
131.08566	27.1
133.10146	35.9
135.11726	29.3
137.13303	10.7
143.07034	6.4
143.08545	14.0
145.10095	40.7
147.11679	38.7
149.13251	25.1
155.08562	8.2
157.10135	25.6
159.11716	44.5
161.09761	5.7
161.13287	27.3
163.14835	12.8
169.10150	9.7
171.11668	19.3
173.13297	34.4
175.14818	20.6
177.16394	10.4
183.11671	11.1
185.13286	17.2
187.14845	20.6
189.16389	10.9
195.11699	8.8
197.13281	9.8
199.14838	20.4
201.16389	20.2
203.17947	7.5
209.13258	5.7
211.12961	5.9
211.14857	16.1
213.16371	23.0
215.17963	13.4
225.16405	8.5
227.17903	12.4
239.18019	8.3
241.19484	8.3
243.21124	10.6
255.21120	14.5
257.22614	23.7
267.20920	5.8
269.22720	41.3
270.40094	5.4
271.24252	13.9
281.22678	15.7
283.24237	10.4
295.24045	11.9
325.25443	8.4
337.25113	8.0
363.26758	9.9
381.27756	14.0
399.29105	28.7
399.33365	4.9
417.29977	100.0
417.35397	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	417.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.5
55.05508	22.3
57.03432	16.7
67.05513	35.2
69.03439	10.1
69.07084	30.1
69.54895	15.8
69.55309	12.9
71.04998	74.9
73.02911	17.9
79.05499	33.2
81.07065	80.1
83.04993	10.7
83.08628	14.7
85.02916	74.8
85.06567	5.3
85.98454	4.7
87.04520	5.5
91.05492	19.5
93.07057	48.1
95.04973	13.6
95.08613	80.6
97.06538	14.9
99.04455	8.5
99.84396	5.2
105.07047	53.9
107.08595	66.4
109.06541	8.6
109.10162	53.4
117.05533	5.4
117.07005	9.7
119.08582	56.0
121.06572	5.7
121.10150	42.9
123.11732	17.6
129.05505	15.6
129.06979	7.3
131.08572	26.4
133.10155	33.2
135.11746	23.5
137.13313	8.2
143.08575	14.0
143.13054	5.6
145.10130	32.9
147.11723	31.1
147.76666	4.9
149.13272	23.3
157.10109	24.5
159.11708	50.8
161.09616	5.5
161.13298	26.3
163.11110	6.0
163.13571	4.4
163.14836	18.7
163.61200	5.3
169.10133	10.3
171.11717	21.9
173.13300	22.1
175.14867	20.8
183.11659	13.3
185.13309	12.8
187.14868	21.0
189.16425	14.7
191.14423	4.8
197.13269	12.0
199.14854	20.9
201.16432	26.5
203.18016	9.8
213.16452	22.0
215.17996	20.1
225.16367	12.5
227.17973	13.4
239.18102	5.0
241.19710	5.1
251.17928	5.3
253.19522	7.2
255.21156	14.6
257.22522	22.5
264.26962	5.9
269.22690	43.2
271.24246	13.5
281.22546	11.6
283.24228	13.4
295.24191	11.4
303.53137	5.7
325.25259	6.2
337.25238	8.8
361.23898	5.8
363.26675	9.1
377.39063	4.8
381.27905	16.8
399.28876	29.1
417.30060	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.279
Annotation	Machillene
Peak:m/z	Relative Intensity
52.52822	3.5
53.03945	8.6
55.05509	16.3
57.07066	4.7
59.04995	5.9
59.81695	3.7
67.05517	27.8
69.03434	7.1
69.07063	15.5
71.05000	8.7
71.51318	5.6
74.74423	3.3
77.14881	3.2
79.05502	29.3
80.82834	4.0
81.03412	19.5
81.07059	43.5
83.08625	11.0
91.05475	43.2
93.07052	41.9
95.04982	14.9
95.08597	38.8
97.06519	4.4
98.98484	11.6
105.07040	73.3
105.98697	3.6
107.04925	4.7
107.08608	49.3
109.02876	43.6
109.06517	61.1
109.10166	30.5
110.88667	4.5
111.08058	6.2
117.07014	15.7
118.81499	4.2
119.07809	6.3
119.08587	72.1
121.06516	8.2
121.10161	63.3
123.08057	10.4
123.11674	18.6
123.18166	3.8
125.09647	4.6
127.03938	7.3
128.06230	11.0
129.07031	17.2
131.08586	48.3
133.06503	7.4
133.10132	57.9
135.08058	11.7
135.11690	31.2
137.09610	6.7
137.13255	4.3
141.06982	5.3
142.07796	21.8
143.08580	35.8
145.10107	45.2
147.08032	20.8
147.11713	19.9
149.09644	11.4
153.07007	3.7
154.26543	3.8
155.01085	8.5
155.08545	19.5
156.09360	15.3
157.10144	48.6
159.08076	16.7
159.11681	19.7
161.09634	13.0
161.13261	4.4
163.07468	3.9
163.11151	4.5
165.06966	9.3
167.08575	6.9
168.09361	6.4
169.06427	4.2
169.10170	18.3
171.08057	5.3
171.11671	24.3
173.09604	15.5
173.13240	18.2
175.11224	11.3
175.14864	10.1
179.08569	10.5
179.22118	4.6
180.09286	6.3
181.10107	21.2
182.10983	4.7
183.11707	27.5
184.07346	9.1
185.09657	10.2
185.13318	14.9
187.11179	15.7
187.14861	13.3
189.12729	5.4
192.09273	5.6
193.10167	12.6
194.11047	7.5
195.11734	25.8
197.09659	9.4
197.13297	15.0
199.11171	10.3
199.14787	8.2
205.10219	5.3
206.10869	11.5
207.11761	15.4
208.12497	7.2
209.13260	16.9
211.11195	10.4
211.14865	11.5
213.12785	8.9
213.16405	15.6
215.14256	5.6
217.10188	6.6
217.12270	6.0
219.11679	9.3
220.12466	7.9
221.13300	14.3
223.11276	6.4
223.14670	8.2
225.12724	6.1
227.14452	6.0
231.11765	6.8
232.12465	5.4
233.13228	9.3
235.14877	15.9
237.12744	7.1
237.16414	6.3
239.17960	8.3
241.19427	6.5
245.13252	7.2
247.14932	10.6
249.16463	5.8
251.17982	7.4
253.15895	9.1
255.17392	5.6
259.14792	8.2
261.16360	5.2
263.14313	6.3
263.18076	5.2
265.15808	5.5
267.17807	4.7
270.14008	5.7
273.16187	5.8
277.15869	8.5
277.19379	5.8
281.19147	5.4
295.17065	7.9
295.20593	4.7
297.21915	4.6
301.19638	6.7
305.18695	4.8
315.21237	5.1
317.22397	4.5
341.22757	7.3
357.25671	9.2
359.23715	13.6
373.25546	4.4
375.26956	12.1
399.22061	7.9
399.26840	29.3
417.22379	7.6
417.27884	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
53.32796	0.4
55.05515	2.9
55.67875	0.3
57.03422	0.9
65.03899	0.4
65.66705	0.4
67.05508	7.0
69.03435	5.8
69.07065	2.4
69.43107	3.0
70.31168	0.3
71.04957	0.5
79.05485	3.9
81.06602	0.5
81.07057	6.6
83.04981	2.6
83.54957	0.4
85.06554	0.5
87.89767	0.4
91.05484	4.7
93.07047	4.2
95.04942	0.9
95.08614	6.1
96.64933	0.4
97.06518	1.3
98.21492	0.8
99.27708	0.3
103.05455	0.6
105.06400	0.7
105.07043	8.6
107.04932	1.4
107.07995	0.6
107.08609	6.6
109.05889	0.5
109.06524	5.3
109.10165	12.9
111.04445	2.0
111.08083	4.2
113.05993	0.9
115.05424	0.9
117.07002	1.3
119.08605	4.8
121.06516	6.8
121.10142	5.6
122.07278	0.4
123.08072	2.6
123.11707	2.8
125.05991	1.5
125.09634	2.4
127.07548	2.4
128.06187	1.7
129.07031	1.9
130.07823	0.5
131.08577	4.2
133.06505	1.4
133.09326	0.4
133.10146	3.4
135.08064	3.5
135.11676	1.5
137.06010	0.4
137.09627	11.1
139.11157	0.9
141.06914	1.0
142.07751	1.3
143.08568	5.9
144.09317	0.9
145.06479	1.0
145.09100	0.4
145.10123	3.1
147.08115	1.9
147.11681	1.4
149.09653	3.9
149.13228	1.5
151.07538	1.7
151.11159	1.5
153.06982	0.7
153.09088	1.2
154.07739	1.3
155.08565	3.0
155.10655	4.3
156.09291	1.4
157.06461	0.5
157.10120	3.0
159.08060	2.1
159.11722	2.9
160.08861	1.9
161.09630	3.3
161.13252	1.4
163.11256	1.9
165.06969	2.5
165.12749	0.6
166.07730	1.3
167.08601	2.3
168.09358	0.5
169.10168	3.4
170.10962	0.5
171.08058	16.2
171.11658	4.9
173.09660	2.2
173.13266	0.7
174.10405	0.5
175.11205	5.4
175.14954	0.4
177.12753	6.8
178.07768	2.0
179.08551	6.0
180.09349	2.5
181.06384	0.9
181.10139	3.6
182.07236	1.8
182.10918	0.7
183.08044	1.0
183.11694	2.0
185.09625	3.0
185.13295	0.8
187.11166	1.2
189.06967	0.5
189.12706	1.3
191.08594	1.5
192.09325	2.8
193.10184	6.7
193.12096	1.2
194.07236	0.9
194.10918	10.4
195.08069	3.9
195.11714	3.9
196.08844	2.3
196.12479	0.8
197.09612	11.1
197.11406	0.8
197.13278	1.1
199.11169	1.6
201.12677	0.8
202.07794	0.6
203.08548	1.4
203.14290	0.4
204.09355	1.7
205.10152	5.0
206.10892	2.7
207.08043	2.7
207.11674	5.5
208.08807	5.5
208.12360	0.5
209.09625	5.0
209.13248	1.6
210.10406	0.9
211.11186	8.0
211.14812	1.6
213.12740	1.1
215.08598	4.2
216.09358	1.7
217.10130	1.9
218.10934	2.2
219.08141	2.1
219.11685	4.7
220.08871	3.6
220.12422	2.7
221.09639	11.7
221.13026	2.4
222.10388	4.7
222.13866	0.8
223.11200	7.5
223.14775	0.7
224.11868	0.5
225.12712	2.2
227.14311	0.8
228.09502	0.6
229.10143	1.6
230.10892	7.6
231.08090	1.3
231.11691	3.7
232.08829	1.7
232.12498	1.5
233.09663	6.0
233.13228	3.1
234.10397	6.4
235.11185	22.5
235.14719	5.5
236.11794	1.3
237.12776	8.7
239.10741	0.5
239.14360	3.1
241.12273	0.5
242.10887	0.9
243.11661	2.4
244.12457	0.7
245.09634	2.8
245.13269	11.5
246.10426	4.5
246.13968	1.2
247.11189	7.4
247.14841	1.5
248.11986	11.5
249.12790	8.3
251.14365	2.9
253.12189	1.8
253.15930	0.6
255.13951	0.5
256.12445	2.7
257.13257	0.9
258.10413	1.0
258.13727	0.4
259.11197	3.8
259.14722	0.8
260.11929	3.1
261.12759	10.2
261.16357	1.7
262.13446	2.9
263.14325	100.0
264.14838	3.8
265.15945	3.1
271.11682	0.7
271.14822	3.8
272.12018	1.0
273.12790	2.1
273.16373	0.9
274.13550	6.3
275.14282	4.8
276.15155	1.0
277.12332	0.7
277.15891	2.5
279.13779	1.1
279.17313	0.7
281.15350	0.7
285.12766	0.6
286.13525	0.9
287.14395	3.2
288.15073	1.1
289.15881	26.9
290.16513	1.6
291.14124	0.8
291.17438	4.7
293.15527	0.6
297.92126	0.5
299.14490	0.7
301.15857	3.5
302.16531	0.6
303.17422	4.7
304.18161	2.9
305.15359	1.7
305.18689	0.6
307.17007	3.8
309.18491	0.8
311.14252	0.5
315.17581	1.5
321.22202	0.5
325.15836	1.0
328.18250	0.7
329.15372	0.6
329.18948	0.6
331.20648	0.8
341.19055	0.6
343.16693	0.6
343.20651	1.2
349.21628	1.8
351.17365	0.6
357.22327	0.9
363.21091	0.4
366.19632	0.4
371.23654	3.9
381.22186	3.8
389.24985	1.9
399.23203	17.0
417.24258	43.4
418.24771	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	417.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04496	0.7
52.74664	0.7
53.03931	1.0
55.01871	8.8
55.05522	5.2
56.05032	2.0
57.03431	1.0
57.05824	1.2
61.02928	0.9
63.60445	0.6
68.05025	0.9
69.03434	3.8
69.07069	9.6
69.84395	3.6
70.02952	0.9
70.06597	37.7
71.04958	0.9
71.06917	1.9
72.08160	50.4
73.02914	1.6
73.08465	0.8
74.06087	1.4
79.05498	3.5
80.05001	1.1
81.03432	4.0
81.04570	0.6
81.07049	1.4
84.04507	7.0
84.08154	4.7
85.02921	2.7
85.08450	0.8
86.09711	100.0
87.04459	0.7
87.10023	1.2
88.03999	2.6
91.05479	1.0
93.07064	0.7
95.04993	1.0
95.06077	0.8
96.04513	1.3
97.02934	3.3
97.06535	13.4
98.06066	3.6
99.04440	1.2
99.05585	1.2
102.05551	3.2
103.03931	1.3
104.07236	0.7
107.04957	1.2
109.02887	2.2
110.07165	1.1
110.09678	0.6
112.08743	1.1
112.11317	0.6
113.07133	1.2
115.07579	2.3
115.08747	1.4
116.07113	1.4
118.08663	1.9
120.08132	2.8
121.06461	0.9
125.05983	8.6
127.03970	2.0
127.08683	1.1
129.10271	2.4
132.10231	4.3
136.07581	2.4
137.07915	0.7
138.09093	0.7
141.06567	4.1
141.10309	1.5
142.08638	18.2
143.11800	5.3
145.05011	1.4
147.17438	0.6
155.08163	0.8
156.10233	1.5
157.13390	3.1
159.07664	7.3
160.09718	9.2
162.93741	0.8
169.06152	2.2
169.09775	0.7
171.11334	2.8
172.07388	1.0
183.11334	2.2
183.14969	0.9
185.12903	2.6
185.16672	0.7
187.07135	9.4
187.10892	1.2
189.12355	5.4
201.12389	5.7
215.13974	1.0
219.08110	0.9
223.07719	1.1
229.11896	3.9
229.15529	7.3
231.17056	7.4
231.68732	0.7
233.14989	2.6
235.07474	1.0
237.15048	1.1
240.13435	1.9
241.10680	4.1
247.07533	1.2
247.10664	0.8
247.12990	2.4
258.14532	1.3
259.11954	1.8
270.16953	0.8
270.67007	1.5
286.13974	3.1
300.15628	1.1
311.80484	0.6
314.75821	0.7
319.09732	0.9
399.11243	1.2
400.19647	1.8
417.12057	1.3
417.21207	0.7
417.24731	1.2
418.15530	1.0
418.20743	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	417.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.3
56.05029	2.3
57.05815	0.7
60.04515	1.2
60.76825	0.6
69.03429	0.9
69.07067	6.5
69.71484	3.6
70.02967	0.6
70.06598	15.1
71.04994	0.6
71.06929	1.2
72.08160	66.9
73.08476	1.3
74.06084	2.5
75.05581	0.7
75.37739	0.6
84.04511	7.1
84.08150	8.1
85.02889	1.2
85.08492	0.9
86.09710	100.0
87.10041	2.0
87.36285	0.7
88.03982	2.5
95.06089	1.1
98.06031	1.1
98.21442	0.8
100.07606	0.9
102.05539	4.5
110.07156	1.7
112.08759	1.2
112.11192	0.6
116.05359	0.7
116.07116	5.0
118.08661	2.9
120.08118	2.1
124.07625	0.9
127.08684	1.8
129.10234	6.9
129.13914	0.7
130.04982	1.5
132.10202	0.7
136.07602	1.6
141.06613	0.8
142.08669	3.0
143.11809	6.9
148.06035	3.6
152.10863	0.8
156.10202	0.8
157.13380	1.3
159.07686	0.8
163.03870	0.8
169.06165	0.9
169.09607	0.8
171.11276	5.4
171.13669	0.8
171.14893	4.0
173.12946	1.4
175.10774	1.4
177.05576	1.5
181.62489	0.7
185.12807	1.7
185.16516	1.8
187.10783	9.0
189.12459	2.9
199.14479	3.0
199.18071	4.3
201.12390	4.2
203.13931	5.4
213.16022	0.9
215.10327	6.5
215.13882	5.0
217.11850	0.9
219.13408	3.4
225.15947	0.9
227.17593	1.4
229.11948	3.2
229.15503	2.4
233.11412	1.0
243.13362	6.7
247.12839	6.2
270.18106	2.0
286.14124	1.1
300.15707	1.0
304.15317	1.5
328.18689	1.0
384.11963	0.8
399.11847	0.8
399.22589	1.1
417.24588	2.8
429.73141	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
54.45786	1.4
55.01870	2.5
55.05513	7.7
57.07066	2.4
58.99590	15.8
59.04984	2.2
59.39489	1.4
61.01133	2.3
67.05518	9.2
69.01853	1.7
69.07067	10.9
70.06590	8.4
71.04993	2.5
71.50679	2.7
72.08163	15.2
73.01118	1.6
74.00643	3.9
76.02236	14.4
76.04005	3.7
79.05504	18.9
81.07055	16.8
83.04985	3.6
83.08613	2.3
84.04491	5.2
84.08149	6.6
85.02902	2.7
85.04025	2.1
85.06546	2.4
86.09718	17.2
86.99063	8.8
88.02211	4.8
91.05489	28.8
93.07045	30.7
93.62655	1.5
95.04967	3.7
95.06097	1.8
95.08607	12.1
97.06523	3.3
98.21567	1.7
99.04459	1.8
101.07792	1.6
103.05458	3.3
105.07035	42.4
106.03579	1.6
107.04952	2.0
107.08605	18.7
109.06496	3.0
109.10140	4.5
112.03971	1.6
114.85171	1.8
115.05453	3.6
116.01679	42.5
117.07030	7.3
117.48444	1.6
119.08585	45.0
121.06541	4.1
121.10139	7.7
123.04435	3.4
123.08071	3.7
128.06264	2.5
129.06999	8.7
130.04993	4.2
131.04945	10.0
131.08562	11.2
132.05701	9.6
133.06471	6.2
133.10132	18.4
135.08044	8.8
135.11671	1.8
137.09616	2.2
143.08565	8.2
144.01146	22.0
145.06502	1.9
145.10155	2.9
146.05992	1.4
147.08043	14.8
147.11679	6.3
149.09682	1.8
151.07574	2.6
153.09114	6.2
157.10133	6.1
159.11688	13.1
161.02306	1.6
161.06013	8.3
161.09642	5.2
161.13271	54.3
161.49258	1.5
162.02211	72.8
165.09132	5.1
167.07047	7.1
173.13226	3.4
175.07486	2.4
175.11165	8.2
175.14830	5.9
177.03204	2.2
177.05476	2.4
179.04851	11.9
179.10710	1.9
181.05048	3.5
185.13252	20.2
185.16492	3.0
188.07147	4.6
192.07848	4.7
192.14479	1.9
203.14331	37.9
207.02914	3.3
221.15387	100.0
222.15784	2.3
239.16568	2.4
240.89864	1.5
278.15756	6.6
282.24072	1.9
296.16830	2.2
306.15170	5.3
314.17889	1.8
364.15814	1.7
367.08118	10.8
382.16846	2.0
399.10992	1.8
399.19193	7.2
400.17795	9.0
417.11768	4.0
417.20560	7.1
431.16394	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3574
Annotation	13Z,16Z,19Z,22Z,25Z-octacosapentaenoic acid
Peak:m/z	Relative Intensity
53.55132	7.8
55.05510	21.2
61.24414	8.5
67.05510	34.9
69.07061	40.3
71.04995	22.6
71.51329	9.0
75.36625	10.4
79.05488	32.3
81.07066	78.1
83.08585	20.5
89.06052	18.0
91.05486	18.6
93.07056	53.3
95.08621	100.0
97.10169	8.2
99.04459	41.0
105.07040	36.7
107.08594	61.9
107.91063	9.2
109.10146	60.9
110.28265	8.7
111.68800	9.8
119.08592	68.1
120.20472	7.9
121.10120	42.2
121.10940	9.6
123.08047	9.5
123.11690	25.5
124.40037	9.1
125.09647	9.5
133.08624	9.2
133.10139	31.5
135.11700	40.6
137.13268	23.7
141.09084	21.4
145.10124	16.3
147.11728	16.2
149.13240	23.2
151.07497	9.0
157.10103	13.1
159.11702	30.0
160.93532	8.8
161.13269	19.7
163.14824	31.9
171.11699	9.4
173.13303	14.1
175.14867	11.8
177.16402	11.1
189.16289	9.4
204.35397	9.2
216.85332	8.5
287.27286	13.5
379.33612	12.2
397.34573	26.9
415.28668	9.4
415.36005	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13194	2.7
55.05494	6.5
57.07069	8.0
61.93340	2.4
67.05495	10.2
69.07073	7.6
69.23563	22.2
71.08633	5.1
72.04488	3.0
74.01012	2.8
79.05502	7.7
81.07066	19.8
83.08616	8.3
87.50596	2.6
91.05483	6.0
93.07043	11.6
95.08624	24.7
97.06533	7.5
97.10151	3.5
100.39812	2.6
105.07035	5.4
107.08611	9.4
109.10172	21.7
111.08109	14.1
119.08576	24.2
121.06487	3.9
121.10123	8.2
123.07986	4.1
123.11697	6.7
126.70818	3.0
131.08543	5.0
133.10149	8.9
135.11713	5.0
137.09636	6.6
145.10098	9.0
147.11647	6.8
149.09575	6.6
149.13275	4.1
152.16667	3.2
159.11691	4.4
163.11180	4.1
171.11690	9.1
175.14839	3.3
177.12677	3.3
185.13243	3.2
197.13307	2.9
205.15852	3.7
205.19608	2.7
205.28523	2.7
225.16376	3.2
289.25235	7.9
338.30545	3.7
360.13855	2.8
368.11935	2.8
371.12973	10.2
372.13669	5.1
379.33679	18.1
384.13666	3.3
385.14456	10.5
386.15253	7.6
387.15933	7.8
397.34668	58.1
398.35321	3.1
399.11420	3.5
399.16357	14.4
400.12781	9.4
400.17407	18.7
401.17776	4.0
413.17789	3.8
414.14444	8.5
414.19165	4.3
415.15359	100.0
415.19345	67.7
415.35657	8.5
416.15234	21.1
416.20142	13.8
429.60489	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	415.2846
Annotation	seco-plakortolide P
Peak:m/z	Relative Intensity
53.03940	6.2
55.01863	5.5
55.05513	23.8
56.96575	17.7
57.03443	16.0
57.07080	3.1
59.04990	4.2
67.05511	33.7
69.03424	15.9
69.07075	14.2
70.06584	12.0
71.01365	2.6
71.04998	75.3
71.50588	4.1
72.08159	6.7
73.02912	8.9
75.04460	4.9
79.05499	35.6
81.03400	7.0
81.07063	77.2
83.04982	16.9
83.08624	7.7
84.08133	5.0
84.96046	5.0
85.02910	81.1
85.06525	3.9
86.06091	5.1
86.09716	7.1
87.04479	14.7
91.05476	40.7
93.07045	63.5
94.57638	2.5
95.04959	15.8
95.08063	4.6
95.08619	58.3
97.02887	5.6
97.06533	10.7
97.10177	3.9
98.97588	58.3
99.04469	8.3
104.07095	5.3
105.07036	68.5
107.05027	3.4
107.08606	54.1
109.02874	2.3
109.06516	10.8
109.10166	39.3
110.97568	10.6
111.04440	8.3
111.08061	6.5
112.99104	15.6
113.06056	2.9
114.53241	2.4
115.19801	2.6
116.98640	15.3
117.07030	19.6
119.04943	2.7
119.08585	62.4
120.08936	3.6
121.06514	5.8
121.10147	34.5
123.08100	7.0
123.11729	9.4
124.99160	3.6
125.06048	5.3
125.09647	9.4
128.06180	3.4
128.98637	9.7
129.05504	14.1
129.07014	11.8
131.00169	11.6
131.08560	30.7
133.10136	31.8
135.08049	7.2
135.11676	25.9
137.05965	3.2
137.09557	3.3
141.07008	3.6
142.07771	9.0
143.00183	7.1
143.07013	2.5
143.08565	22.4
145.02844	3.3
145.10138	39.6
147.08069	5.1
147.11699	28.0
149.09674	5.5
149.13248	13.1
151.11227	3.9
155.08562	10.7
156.09349	8.3
157.10155	32.3
158.10776	3.1
158.99657	15.9
159.10475	3.8
159.11710	42.3
161.01297	4.3
161.09621	5.5
161.13264	21.6
163.11157	5.0
163.14801	3.7
163.47408	2.7
165.06972	3.2
165.09198	3.3
168.09283	2.7
169.01686	3.0
169.10155	16.4
170.10793	3.7
171.11676	28.6
173.01167	3.5
173.09702	3.3
173.13298	23.9
175.11185	3.0
175.14844	19.2
177.00706	8.1
177.12698	3.8
179.08626	3.3
180.09428	3.6
181.10197	7.3
182.10904	5.8
183.10307	3.5
183.11693	17.2
185.01221	14.4
185.09840	3.0
185.13295	19.0
187.02841	4.7
187.14874	15.6
189.00618	2.9
189.16339	5.4
193.10036	4.4
195.11687	7.5
197.13252	13.6
198.03081	2.6
199.14801	21.2
201.16385	11.5
203.02246	14.5
203.14255	4.1
209.13261	8.7
211.11261	3.4
211.14862	14.5
213.16379	17.2
215.17899	2.9
219.01689	5.6
221.03365	3.3
221.15346	3.5
223.14880	6.6
225.16405	9.3
227.02188	3.4
227.18045	10.0
229.69321	2.9
235.14832	4.7
237.02861	3.6
237.16463	4.8
239.17940	7.0
241.19751	5.0
245.03362	9.6
249.08000	3.2
251.18010	7.7
252.12022	7.3
253.12599	5.2
253.19572	11.0
255.21062	17.9
263.04385	3.3
267.21039	22.5
269.22681	15.3
270.11267	10.2
270.61282	4.0
279.21194	9.3
281.22791	5.4
285.21976	3.5
289.13449	3.0
293.22653	4.3
299.23798	3.5
305.05392	17.3
307.24008	3.6
311.23740	5.6
317.14868	3.8
323.06454	3.5
323.23718	7.4
325.14996	6.7
326.15601	10.0
327.11264	7.7
335.23590	4.8
361.25015	5.3
379.26300	8.4
385.20538	4.1
397.27408	26.6
415.28387	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.7
56.05031	0.9
58.68082	0.4
59.04994	0.4
60.04514	1.0
69.07073	0.8
70.06594	10.0
71.05012	0.6
71.49763	0.4
72.08157	22.9
73.06550	1.5
74.06075	0.6
79.05467	0.4
81.03429	0.4
81.07048	0.4
84.04510	1.7
84.08147	3.7
85.02918	0.6
86.09708	15.8
87.04472	5.8
89.06033	100.0
91.07610	0.7
93.07013	0.4
95.04980	0.4
105.07017	0.4
107.07053	1.1
110.07195	0.7
112.11256	0.5
113.14053	0.4
113.62913	0.4
114.09126	0.5
114.26170	0.4
116.07099	10.0
117.09137	0.5
119.08569	0.4
120.08121	1.3
129.10255	1.4
130.08676	0.7
131.07062	1.6
133.08606	45.3
134.09004	0.4
135.04388	0.5
136.07623	0.6
137.06004	0.5
145.10187	0.4
146.16483	0.6
147.11162	0.4
154.06546	0.4
159.11302	3.4
163.03951	0.8
173.12895	1.0
175.09712	0.7
177.11234	10.2
183.11356	1.8
187.10757	2.8
195.12332	0.5
199.08630	0.5
201.12389	1.5
206.08548	0.4
215.13960	2.3
221.13892	0.7
223.10884	0.6
225.97586	0.4
227.08205	0.9
229.15567	1.2
239.14771	0.6
271.10776	1.8
282.18085	3.8
283.10812	4.0
283.17667	0.4
300.19281	0.8
309.08652	6.2
311.10190	0.7
327.20279	0.6
371.22885	0.5
380.16193	1.2
397.18802	0.6
415.13959	0.7
415.25409	1.3
425.82162	0.4
433.48105	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2845
Annotation	seco-plakortolide P
Peak:m/z	Relative Intensity
53.03955	4.6
55.01876	3.6
55.05514	14.8
57.03456	2.6
57.07079	3.7
59.27757	2.1
61.02945	4.0
67.05503	20.4
68.81903	1.8
69.03427	11.2
69.07070	17.0
71.01374	2.4
71.04984	4.1
73.02923	8.1
77.22340	1.9
79.05505	15.1
81.03413	6.5
81.07066	47.4
83.04990	7.2
83.08614	6.1
85.02901	8.0
91.05488	15.5
93.07056	36.5
95.04987	7.8
95.08620	46.7
97.02903	7.3
97.06539	2.8
97.10193	3.8
98.20805	5.2
103.03935	5.4
104.60975	1.9
105.07046	35.7
107.04972	2.2
107.08607	33.7
109.06502	5.8
109.10172	26.2
111.04494	2.1
112.57966	1.9
113.02358	1.9
113.06011	2.5
115.03913	2.5
115.05470	2.5
117.07027	6.5
119.08595	42.7
121.06515	4.8
121.10155	32.1
123.08053	4.6
123.11711	13.0
127.03956	2.3
128.06194	4.2
129.05486	4.2
129.07018	6.1
131.04861	2.1
131.08578	21.8
133.06503	3.3
133.10133	25.0
135.08060	4.3
135.11720	19.5
137.13272	3.8
140.48140	1.8
142.07825	3.9
143.08569	19.0
145.06569	2.2
145.10146	33.1
147.08038	4.8
147.11716	18.3
149.09677	5.0
149.13251	15.0
155.08542	9.3
156.09367	3.6
157.10147	22.2
159.08029	5.0
159.11703	27.4
161.09607	6.4
161.13260	16.3
163.14871	6.9
167.08537	2.4
168.09270	1.9
169.10132	13.2
171.08092	2.4
171.11690	17.8
173.09566	2.3
173.13313	17.1
175.11165	3.5
175.14877	8.4
177.12756	1.8
177.16423	3.0
181.10185	7.4
183.11722	13.5
185.09674	2.6
185.13319	17.0
187.11200	4.0
187.14839	13.7
189.12761	3.0
189.16399	5.6
194.10966	2.0
195.11717	7.1
197.13287	11.8
199.11275	2.7
199.14903	13.9
201.16469	7.8
207.11736	2.4
209.13269	8.2
210.14061	2.5
211.14841	10.2
213.12892	2.6
213.16428	15.3
215.17905	5.1
217.15901	2.7
217.19582	2.0
221.13402	3.8
223.14854	8.1
225.16437	9.8
227.17963	7.6
229.19780	2.6
235.15115	2.1
237.16501	5.6
239.17950	7.5
241.19568	6.5
243.21198	3.2
246.13875	2.3
251.17903	4.0
253.19679	5.6
255.21066	4.1
265.19669	3.0
267.21127	6.0
269.22720	21.2
271.24200	3.5
277.19666	1.9
279.21152	3.9
281.22647	19.1
283.21133	3.2
283.24313	8.2
285.14905	2.2
293.22781	10.6
295.24222	13.9
305.22681	2.5
307.24164	5.2
311.23730	6.0
315.49628	2.0
319.24313	2.4
323.23761	2.8
325.25256	5.0
337.25333	7.8
355.26447	5.0
361.25250	3.8
367.26248	4.9
379.26419	15.8
385.27365	3.7
397.27435	48.0
398.27832	3.5
415.28473	100.0
416.28436	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	415.2327
Annotation	Dendromoniliside A
Peak:m/z	Relative Intensity
50.72320	0.8
53.03945	1.5
55.05511	2.4
57.03442	0.8
65.03956	2.2
67.05516	5.7
69.03454	4.3
69.07087	4.2
69.24239	1.9
69.24654	5.3
70.06597	5.9
71.04995	1.0
72.08161	6.5
79.05494	1.6
81.03415	1.7
81.07066	5.5
83.04980	1.6
84.04515	1.7
84.08157	4.6
85.02928	6.4
85.06548	1.0
85.45773	0.7
86.09716	24.0
89.06013	0.9
91.05493	2.7
93.07033	4.6
94.20609	0.8
95.04980	100.0
95.08592	4.3
96.05339	1.2
97.02905	2.0
97.06549	2.1
98.21645	1.5
99.04487	1.0
105.07041	6.1
107.08588	5.1
109.02892	1.3
109.06525	3.0
109.10172	2.9
110.07201	0.9
116.07121	1.3
117.07057	1.1
119.08595	6.4
121.06509	2.8
121.10142	6.0
123.08106	2.0
123.11729	5.5
125.09631	0.8
127.03924	1.4
129.10240	2.1
130.07819	1.0
131.08607	2.8
133.08627	1.0
133.10135	4.8
135.08090	3.0
135.11703	2.8
137.09618	3.4
139.11203	1.9
142.07788	1.6
143.08588	1.8
144.09468	0.8
145.04977	1.0
145.10136	5.9
147.04575	0.7
147.08012	1.3
147.11719	4.7
149.09659	2.1
149.13283	1.7
157.10143	2.6
159.11707	3.9
161.09656	2.7
161.13278	1.7
163.11224	2.6
165.12573	0.8
171.11688	1.8
171.14938	0.9
173.13306	0.9
175.11234	2.8
175.14864	1.5
177.12798	1.3
178.48097	0.7
185.12982	1.0
187.06088	0.9
187.14845	6.0
189.12494	1.2
189.16432	4.0
191.14307	1.0
193.15903	1.3
199.14761	2.9
199.18051	1.8
205.15884	9.5
205.17612	1.0
207.17517	0.9
217.15880	9.4
227.17580	1.4
235.16939	27.9
236.17159	0.9
253.18089	2.7
272.17712	1.7
287.94739	0.9
396.59763	0.9
415.22986	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.9
55.01875	1.8
55.05527	12.9
57.03436	7.0
57.07074	4.0
65.03935	4.9
67.05138	2.3
67.05511	44.4
69.07084	9.5
69.62034	1.5
71.50893	1.6
71.51307	2.7
76.47203	1.7
79.05507	40.2
81.07069	50.8
83.08617	7.9
85.06553	2.9
87.66246	1.6
88.55827	2.1
91.05493	28.9
93.06485	3.7
93.07056	51.2
95.04970	4.0
95.08614	38.4
97.06538	2.4
97.10194	2.8
98.98478	71.3
99.08092	3.6
105.07043	24.4
107.08607	37.3
109.10166	20.6
111.08118	3.9
113.09625	2.9
117.07029	7.8
119.08595	21.9
121.10161	32.2
123.08148	2.4
123.11738	8.8
131.08568	18.8
133.10141	14.0
135.08107	1.8
135.11699	25.4
137.06070	1.6
137.13292	4.7
139.11166	1.9
145.10139	13.4
147.11725	12.0
148.53569	2.0
149.09674	2.9
149.13266	25.3
151.03922	1.6
151.11159	3.0
151.14737	1.9
155.01057	79.7
159.11765	13.6
161.13271	9.3
163.11256	2.6
163.14799	12.9
165.12814	3.9
173.13248	12.7
175.14862	3.0
177.16533	3.0
179.14291	1.8
187.14870	11.6
194.43076	1.6
201.16431	2.9
205.15901	1.9
229.04515	1.7
233.22658	7.1
239.17468	2.7
243.21124	29.5
244.21677	1.8
247.45772	1.9
261.22168	100.0
262.22525	2.5
266.03979	1.8
269.18256	1.8
303.77664	1.7
415.22186	7.3
415.27048	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	414.7618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.6
58.04222	9.7
59.05007	0.9
61.02907	0.9
64.69171	0.7
67.05499	1.7
69.03434	1.5
69.07076	2.3
70.06606	6.1
71.04988	1.8
71.50724	1.1
72.08141	4.3
73.02925	29.5
73.06554	2.5
75.05614	1.2
79.05502	1.2
80.05521	8.5
81.03417	1.0
81.07053	3.0
83.05000	1.1
83.29172	0.9
84.08142	3.5
85.02900	2.1
86.09711	25.4
87.04480	11.4
89.06039	100.0
90.06363	2.2
91.05476	3.2
93.07053	2.2
95.04967	1.1
95.06098	2.9
95.08616	1.5
97.02922	1.3
97.06501	1.3
99.04495	1.2
100.07646	1.1
102.06814	11.1
102.13229	0.8
105.07027	1.6
107.07088	2.4
107.08586	1.5
109.06530	1.5
109.10126	1.3
110.09795	0.8
116.07155	1.1
119.08646	1.1
120.08093	1.7
121.10180	1.5
123.11767	1.1
124.08113	7.3
127.03886	1.0
129.06973	0.8
129.10246	1.5
130.08681	0.8
131.07062	2.0
133.08618	50.0
134.08958	2.5
135.11678	1.5
137.05965	1.2
143.11839	5.1
143.12787	0.9
145.10133	1.5
146.09378	3.9
147.11780	1.7
155.09927	6.8
157.10098	0.9
164.10507	3.1
165.12804	1.9
168.10616	1.3
171.11385	1.9
175.11136	1.0
175.61221	0.9
177.11261	15.6
192.41629	0.8
199.12593	3.4
211.13173	1.0
211.15079	0.8
220.33603	0.9
221.13828	3.3
225.39825	0.8
233.27357	0.9
245.18623	3.5
253.14493	1.4
283.17792	1.0
358.21561	1.0
367.22269	0.9
396.25751	1.1
397.15527	1.6
414.26425	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2643
Annotation	Yesodine
Peak:m/z	Relative Intensity
53.03931	1.0
55.05501	5.0
56.05036	1.8
57.07070	1.7
67.05522	6.7
68.05028	3.7
69.03433	3.5
69.07069	4.9
70.06597	43.6
70.48933	1.3
70.49265	2.8
71.05006	2.2
72.08157	8.5
77.47649	1.1
79.05493	7.6
80.05002	1.3
81.03383	1.5
81.07072	7.7
82.06602	1.8
83.04977	5.6
83.08630	2.5
83.19591	1.2
84.04494	3.0
84.08155	7.0
85.02902	3.4
85.06512	1.9
86.09718	8.4
91.05485	10.1
93.07071	8.5
94.06547	2.7
95.04964	2.8
95.06104	5.5
95.08608	3.6
96.08131	4.4
97.06570	2.6
98.06066	2.7
100.07623	14.2
102.31492	1.1
103.05501	1.3
105.07040	16.2
106.06596	1.5
107.04948	1.9
107.07353	2.3
107.08600	11.2
108.08112	2.3
109.06516	4.5
109.10160	4.6
111.04482	1.5
112.08710	1.3
114.05526	5.3
116.06328	1.9
116.07094	16.4
117.07043	4.5
118.08663	2.8
119.04942	1.2
119.08591	17.8
120.08121	13.0
121.06508	4.2
121.10139	11.5
122.09713	5.3
123.08072	1.1
124.11261	1.5
125.09608	1.6
127.81229	1.1
128.06238	2.4
128.07063	15.7
129.07013	7.9
129.10222	3.2
130.07849	2.1
131.08585	14.5
133.06462	1.9
133.10146	7.1
134.09663	13.4
135.08032	1.8
136.11218	5.0
137.05948	1.4
138.09138	2.1
139.11192	1.3
141.07045	3.6
142.07747	8.1
143.08580	18.1
144.09384	7.0
145.10138	15.8
147.11621	1.9
148.11200	4.6
149.09624	9.9
151.06355	1.7
154.08662	2.5
155.08516	6.3
156.09349	6.2
157.10146	21.2
158.09665	1.3
159.08076	12.4
159.11697	5.2
160.11276	1.3
161.09604	1.1
164.07109	3.0
165.06946	1.1
166.08690	4.2
167.08563	4.7
167.10730	2.9
168.10277	15.3
169.10126	5.9
171.11742	8.5
173.09679	1.9
173.13344	6.0
175.11166	1.5
178.08678	7.7
179.08557	3.0
181.10132	3.8
182.11919	1.8
183.11687	10.9
184.09694	2.0
184.11147	2.5
185.09964	1.0
185.13260	6.3
186.12758	1.7
187.14879	1.3
189.12814	1.8
191.14372	1.5
192.10321	1.7
193.10185	4.4
194.11848	2.7
195.11774	6.0
197.13261	8.0
198.14078	1.6
199.11205	2.8
199.14827	4.0
206.10994	1.3
207.11684	5.4
208.12460	3.1
209.13274	9.7
211.11058	1.2
215.14342	2.7
221.13284	5.2
223.14842	8.7
225.12740	2.2
225.16505	2.4
232.13348	2.0
233.13663	1.3
233.15410	32.6
234.15883	1.5
235.14684	1.7
237.16441	2.1
239.17970	1.5
241.15918	1.5
248.15668	3.7
255.17618	1.5
259.15720	3.4
263.17996	5.9
265.19510	6.4
273.18478	1.7
281.19156	5.8
281.51361	1.2
283.20566	8.3
296.16412	1.5
298.18024	2.2
304.19476	1.6
313.20374	2.1
345.89716	1.2
352.26416	7.9
356.22238	5.5
363.21936	1.2
378.23914	1.6
381.22827	1.4
396.25372	31.9
414.26437	100.0
415.19336	4.9
415.26453	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	414.264
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89507	0.9
55.05505	4.3
57.07065	2.8
66.42614	1.0
67.05508	7.3
68.05022	4.8
69.03423	4.0
69.07066	3.1
70.06598	58.9
70.72050	2.7
71.04977	3.3
72.08118	1.1
73.53062	1.0
79.05502	9.7
80.05028	1.0
81.03419	1.4
81.07055	10.6
82.06579	1.1
83.04983	3.7
83.08612	3.7
84.08144	3.1
85.02894	2.4
85.06557	2.7
86.06068	1.9
87.04460	3.8
91.05483	10.7
93.07051	11.9
94.06567	3.0
95.04983	4.7
95.08607	5.5
96.08131	7.4
96.97413	0.9
97.02940	1.0
97.06540	2.9
98.06071	1.4
98.97570	0.9
100.07619	15.5
103.05484	0.9
104.07120	1.2
105.04463	1.0
105.07036	20.9
107.05001	1.1
107.08595	11.1
108.08136	3.5
109.06522	9.4
109.10152	6.1
114.05540	6.2
115.05444	1.1
116.07083	4.2
117.07032	6.0
119.08591	26.1
120.08102	6.3
121.06538	1.2
121.10175	7.5
122.09676	5.5
123.08079	4.6
125.05993	1.2
125.09613	2.3
128.06216	2.5
128.07077	20.6
129.07039	5.9
130.07819	2.3
131.08572	12.0
132.08089	1.2
133.06537	1.3
133.09178	1.4
133.10133	9.4
134.09654	3.6
135.08060	3.1
135.11681	1.5
136.11218	5.4
137.09619	2.6
140.07089	1.3
140.10750	1.4
141.07011	2.1
142.07765	5.9
143.08586	12.5
144.09332	3.3
145.10130	23.2
146.09612	2.7
146.10820	1.2
147.08063	4.4
147.10564	1.5
147.11702	9.3
148.11247	5.8
149.09695	1.4
151.06284	1.4
151.07469	0.9
154.08676	2.7
155.08580	5.2
155.10675	1.7
156.09369	6.2
157.10138	17.6
158.10858	1.5
159.08112	2.1
159.11700	6.2
160.11237	2.6
161.09680	2.4
161.13286	1.5
162.12828	6.9
163.11209	3.5
164.07179	1.1
165.07033	1.4
165.09111	10.2
166.08676	4.3
167.08647	2.5
168.10217	41.2
169.10155	4.9
170.10916	1.9
171.11717	9.9
173.09663	1.7
173.13257	5.5
174.12744	1.3
175.11201	5.6
178.08647	9.5
179.14383	1.1
181.10046	1.6
181.12300	1.7
182.10728	1.7
183.11690	6.3
184.12332	1.2
185.13339	4.9
186.12733	1.3
187.14784	1.1
188.14355	1.6
190.15944	5.9
192.10231	3.5
193.10146	1.5
194.11897	6.9
195.11667	5.3
196.12611	0.9
197.13271	7.8
199.14871	4.0
203.14349	4.0
206.11873	1.6
207.11806	1.4
207.13779	1.4
209.13300	5.3
211.14922	1.9
213.16319	1.2
215.14238	4.9
221.13249	1.0
221.15367	25.9
223.14870	6.0
225.12714	1.4
225.16463	1.3
226.15831	1.2
227.14403	2.1
230.11758	1.1
232.13364	2.6
234.14853	5.7
237.16266	1.1
239.06410	1.1
239.14635	0.9
241.15891	1.1
244.13429	1.4
246.14764	1.5
258.14941	2.1
258.55951	0.9
265.19565	4.0
281.18973	1.7
283.20465	1.1
298.18246	1.5
299.20059	2.2
301.21811	2.0
312.19592	1.9
340.18976	1.2
352.26212	1.4
356.22269	2.9
370.27518	8.1
371.24625	1.0
396.25482	4.9
414.26434	100.0
415.27005	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	414.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	4.1
57.07063	2.3
58.16177	1.1
67.05521	7.1
68.05022	5.6
69.03423	5.1
69.07063	3.4
70.06595	50.4
70.46687	3.4
71.04971	1.6
79.05488	7.6
80.04990	1.3
81.07076	8.3
81.07453	1.5
83.04992	3.2
83.08614	2.4
84.08147	2.8
85.06561	3.1
86.06070	5.0
87.04456	4.6
91.05494	9.9
93.07053	9.0
95.04958	3.3
95.08609	5.8
96.08130	5.5
97.06518	2.5
98.06073	2.3
100.07632	11.5
103.05508	1.7
103.62093	1.6
104.07111	5.9
105.07042	16.9
106.06523	1.3
107.08601	10.4
108.08125	3.2
109.06518	6.0
109.10180	7.4
111.08069	1.4
114.05516	5.7
115.05386	1.5
116.07122	3.8
117.07018	4.2
118.06509	1.7
119.08586	26.9
120.08138	7.3
121.10144	5.2
122.09670	5.3
123.08077	2.8
123.11769	1.4
125.06002	1.3
128.06230	2.5
128.07080	14.6
129.07008	5.3
130.07806	2.5
131.08569	10.7
133.10133	8.4
134.09608	3.2
135.08083	1.9
135.11668	1.6
136.11198	5.7
137.09644	3.6
142.07742	5.4
143.08574	12.5
144.09410	2.5
145.10123	20.9
146.09645	2.2
147.08090	3.3
147.10590	1.4
147.11723	6.3
148.11201	4.5
151.06357	2.0
155.08557	2.5
156.09344	5.2
157.10123	12.5
158.10909	1.9
159.11633	6.2
160.11194	4.1
161.13274	1.6
162.12758	6.9
163.11226	2.5
165.09125	7.0
166.08649	3.8
167.08577	2.2
168.10239	32.7
169.10139	3.2
171.11699	8.1
173.09599	1.6
173.13293	6.2
174.12744	1.9
175.11214	3.4
178.08601	8.0
179.08435	1.5
181.10040	1.6
181.12294	1.5
182.10861	2.3
183.11740	5.1
185.13269	4.7
190.15855	3.1
192.10101	1.7
193.10165	1.4
194.11911	6.9
195.11746	3.3
197.13297	7.3
199.14859	4.0
203.14166	2.5
206.11809	2.0
207.11806	1.8
209.13338	4.0
215.14378	2.8
221.15372	16.1
223.14864	4.4
232.13231	2.1
234.14954	4.2
237.16444	1.8
258.14993	2.8
265.19504	2.9
298.18063	1.7
299.19855	2.7
334.20288	1.5
352.26443	3.1
356.22092	1.8
370.27344	14.2
378.11023	1.3
390.64008	1.3
396.25424	8.5
414.26431	100.0
415.26425	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25783	0.8
55.05508	3.5
57.07076	2.3
67.05513	5.1
68.05022	3.7
69.03429	1.7
69.07058	2.4
70.06599	44.9
70.75194	2.5
71.04986	2.6
72.08165	1.0
72.66962	1.0
79.05497	4.9
80.05022	1.1
81.07072	6.7
83.04997	3.2
83.08614	1.8
84.08154	2.8
85.06544	2.1
87.04449	1.8
88.86964	0.9
91.05491	9.2
93.07040	7.6
94.06550	2.3
95.04984	3.2
95.06087	1.0
95.08609	3.7
96.08147	5.8
97.06538	2.6
98.06047	1.6
100.07620	12.9
105.07034	18.8
107.08595	9.6
108.08109	3.5
109.06530	7.1
109.10161	5.1
111.04489	0.9
111.56824	0.9
114.05541	5.0
116.07094	3.1
117.07032	4.5
118.06502	1.0
119.08583	20.3
120.08104	6.5
121.06481	1.1
121.10120	5.2
122.09685	2.8
123.08080	3.8
125.09644	2.1
128.06219	2.2
128.07079	16.2
129.07018	6.2
130.07808	2.3
131.08586	11.6
132.09312	1.1
133.10133	8.3
134.09615	2.4
135.08078	3.0
135.11687	1.6
136.11205	5.5
137.09612	1.5
141.06996	1.3
142.07751	7.0
142.08653	1.0
143.08566	10.4
144.09373	2.3
145.10138	17.1
146.09694	1.4
147.08089	2.4
147.10583	1.3
147.11681	6.4
147.90825	1.1
148.11185	4.6
149.09627	1.1
151.06314	1.4
154.08618	2.3
155.08591	2.1
155.10674	1.1
156.09360	4.3
157.10136	13.7
158.10878	1.4
159.08081	1.7
159.11717	5.1
161.09676	1.5
161.13232	1.8
162.12727	5.3
163.11171	2.1
164.07094	1.0
165.09123	5.9
166.08687	2.9
168.10231	35.7
169.10216	3.6
171.11697	8.1
172.11209	1.4
173.09808	1.3
173.13287	4.2
175.11177	6.3
177.08005	1.1
178.08656	6.4
181.12256	2.0
182.10823	2.1
183.11743	6.1
185.13300	4.6
186.12737	1.9
188.14343	1.1
189.12750	1.0
190.15906	3.5
192.10220	3.2
193.10052	1.6
194.11848	5.8
195.11758	3.5
197.13304	7.3
199.14882	2.9
202.16071	1.0
203.14374	4.0
206.11844	1.4
207.11946	1.4
207.13899	1.1
208.12563	1.0
209.13289	3.4
211.14825	1.1
213.16382	1.2
215.14349	3.4
221.13409	0.8
221.15382	18.7
223.14784	4.4
225.16461	1.6
227.14320	1.8
232.13338	1.4
234.14948	3.9
241.16093	1.1
244.13458	1.9
246.14966	2.1
248.01997	0.9
251.11485	1.1
258.14941	1.8
263.18002	1.1
265.19617	3.1
268.20749	0.9
272.16479	1.3
281.19000	1.1
283.20502	1.5
299.20151	2.2
301.21771	1.4
313.20358	1.4
352.26187	1.3
356.22293	1.7
370.27426	6.1
396.25327	4.0
414.26434	100.0
415.26645	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	414.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
55.05516	5.3
55.27264	0.9
57.07079	1.6
60.73214	1.0
67.05512	6.0
68.05025	4.3
69.03416	2.8
69.07063	2.5
70.04487	3.1
70.04902	2.2
70.06596	45.2
71.04997	1.6
79.05494	4.8
80.05025	0.9
80.57997	0.8
81.05821	0.8
81.07059	6.5
83.04991	2.4
83.08629	1.7
84.08134	2.7
85.06553	3.2
86.24889	1.0
87.04438	1.0
91.05486	9.3
93.07048	11.1
94.06564	1.8
95.04961	3.3
95.08599	5.7
96.08131	4.2
97.06543	2.3
98.06065	1.9
100.07625	14.2
103.05500	1.1
105.07028	17.1
107.08585	8.4
108.08118	2.8
109.06532	8.6
109.10160	3.9
113.09708	1.0
114.05556	6.4
115.05414	1.1
116.07097	3.9
117.07049	5.2
117.07750	1.0
119.04981	0.9
119.08590	21.2
120.08118	6.5
121.10163	4.9
122.09661	3.9
123.08066	3.3
125.09590	1.0
128.06227	2.1
128.07083	18.7
129.07018	4.7
130.07796	2.9
131.08577	11.1
133.09172	1.5
133.10135	8.7
134.09645	3.0
135.08061	2.6
136.11223	4.5
137.09608	3.3
140.10738	1.5
141.06979	2.7
142.07756	5.3
143.08563	10.6
144.09334	3.0
145.10118	19.7
146.09615	2.0
147.08066	2.4
147.10583	1.5
147.11707	6.5
148.11214	6.6
149.09697	1.1
151.06259	2.1
154.08618	3.4
155.08604	4.7
155.10655	1.3
156.09375	4.4
157.10164	13.1
158.09737	1.1
158.10950	1.4
159.08078	2.5
159.11690	4.8
161.09630	1.0
161.13223	1.4
162.12834	5.4
163.11206	2.8
164.07010	1.3
165.07059	1.5
165.09154	6.4
166.08652	3.5
167.08589	1.2
168.10226	42.9
169.10075	5.0
169.40892	1.0
170.10873	1.6
171.11674	8.0
173.13255	4.6
175.11189	5.5
178.08679	6.9
179.08524	1.5
181.10120	2.3
181.12273	1.6
182.10815	2.0
183.11714	8.2
184.12660	1.4
185.13234	4.8
186.12692	1.3
187.11183	1.1
187.14877	1.2
188.14252	1.0
189.12727	1.1
190.15901	3.0
192.10214	2.7
193.10226	1.6
194.11841	7.6
195.11717	3.6
197.13240	7.1
199.14870	4.3
202.16013	1.6
203.14299	2.3
206.11749	2.0
208.12553	1.7
209.13295	3.8
215.14328	1.9
221.15358	18.9
221.17361	1.7
223.14813	4.5
225.16434	1.4
226.15781	1.1
227.14311	1.5
230.11755	1.4
232.13377	1.7
234.14879	4.4
237.16344	1.4
237.73241	1.0
246.14943	1.1
258.15045	1.2
265.19553	3.5
268.20758	1.3
281.18875	1.8
312.19733	1.4
313.20270	1.2
332.69559	1.0
340.18704	1.0
352.26334	1.2
356.22385	2.4
370.27444	8.6
396.25162	4.1
414.26413	100.0
415.26886	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	414.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.01862	0.9
55.05510	4.2
57.07078	2.3
61.73779	0.7
67.05502	5.9
68.05032	4.3
69.03421	2.8
69.07066	2.8
69.24572	2.6
69.24990	5.4
70.06598	50.3
71.04984	2.9
73.99554	0.9
79.05489	6.1
80.05026	1.1
81.07056	8.5
82.06551	1.1
83.04984	3.4
83.08597	2.6
84.08138	2.2
85.02888	1.3
85.06530	2.5
86.06060	2.0
87.04461	2.5
91.05476	8.9
93.07054	11.6
94.06565	2.3
95.04961	2.5
95.08613	6.2
96.08137	5.8
97.06513	2.5
98.06067	2.0
98.97560	1.3
100.07623	13.2
105.07032	18.8
107.07391	1.2
107.08598	8.7
107.62074	0.9
108.08116	3.4
109.06534	7.2
109.10177	4.9
111.04445	0.9
112.07593	1.1
113.05998	1.1
114.05519	4.9
115.05476	1.0
116.07092	3.6
117.07004	4.9
119.08583	20.2
120.08107	5.4
121.06530	1.6
121.10153	5.9
122.09628	4.2
123.08073	3.6
124.11293	1.1
125.09644	1.3
128.06215	2.1
128.07091	18.4
129.07039	4.8
130.07767	2.0
131.08560	10.7
132.08076	1.6
133.06483	1.3
133.10110	5.9
134.09642	3.4
135.08046	3.7
135.11728	1.3
136.11215	4.5
137.09586	2.3
141.07048	1.9
142.07750	5.7
143.08578	11.8
144.09323	3.1
145.10130	18.4
146.09630	1.7
147.08064	3.6
147.10570	1.3
147.11656	5.6
148.11186	6.7
151.06319	1.3
151.07553	1.2
154.08626	2.9
155.08577	3.7
155.10640	1.3
156.09340	5.5
157.10153	15.2
159.08057	2.5
159.11688	6.0
160.11288	1.4
161.09651	2.1
161.13226	1.5
162.12804	7.5
163.11185	3.6
164.07060	1.0
165.09113	8.1
165.78078	1.0
166.08653	2.9
167.08621	1.7
168.10228	35.4
169.10155	5.3
170.10939	1.7
171.11700	8.6
172.12495	1.2
173.09656	1.3
173.13306	4.1
174.12732	1.1
175.11205	4.8
177.08029	0.8
178.08620	8.8
181.10054	2.0
181.12320	2.2
182.10765	0.9
182.11975	1.1
183.11699	4.3
185.13330	4.9
186.12758	1.7
187.14882	2.2
188.14438	0.9
189.12741	1.0
190.15970	3.1
192.10172	3.2
193.10126	1.2
194.11929	5.6
195.11633	4.0
196.12592	1.7
197.13226	6.6
199.14867	2.8
203.14355	3.0
206.11902	1.3
207.11714	1.5
207.13829	1.1
208.12523	1.0
209.13316	3.6
213.16365	1.5
215.14371	2.3
221.13445	0.7
221.15375	20.4
223.14948	4.9
225.16425	1.3
226.15973	1.4
227.14343	0.8
230.11633	1.2
232.13385	1.4
234.14888	4.8
235.57155	0.8
244.13480	1.9
246.14960	2.0
248.59885	0.8
248.78549	0.9
257.41602	0.8
258.14908	1.5
259.15704	0.9
263.18076	1.0
265.19556	2.7
268.20685	1.1
270.14835	0.9
272.16678	0.9
281.19080	1.8
283.20505	1.1
298.17990	1.6
299.19968	2.5
301.21628	2.0
312.19592	1.5
352.26379	1.5
356.22168	2.5
370.27405	7.7
396.25595	4.3
414.26422	100.0
415.26913	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3781
Annotation	Adiantone
Peak:m/z	Relative Intensity
55.05514	5.4
56.94802	2.9
57.07084	5.3
67.05515	5.9
68.14162	2.2
69.07092	7.7
70.56784	5.4
70.57170	5.2
71.08649	3.7
72.42767	2.5
79.05507	9.3
81.07062	22.5
83.04992	10.1
83.08634	5.8
91.05495	4.3
93.07049	4.7
95.08612	10.7
97.06535	91.3
97.10188	3.9
100.10300	2.2
102.51816	2.2
105.07079	2.5
107.08603	7.3
109.06524	100.0
109.10171	4.5
117.58759	2.2
119.08647	3.4
119.73141	2.3
121.10146	3.9
123.08045	12.2
125.91014	2.3
131.08621	3.2
133.10175	4.7
145.10184	2.4
159.11737	2.9
163.14833	2.5
202.29163	2.4
202.56596	2.4
215.18193	2.3
343.79535	3.1
395.36520	4.1
406.49677	2.6
413.32498	9.3
413.37692	64.4
431.24686	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29565	1.1
55.01870	2.1
57.03440	30.2
59.04990	1.3
59.91424	1.1
61.02927	9.5
63.59894	1.2
67.05489	1.4
68.05009	1.5
69.03436	34.4
69.19788	10.2
69.20184	1.9
70.06584	6.8
71.01359	2.4
71.04998	2.6
72.08144	3.0
73.02920	51.4
75.62866	1.3
78.34206	1.3
79.05501	2.0
81.03429	3.9
84.08150	2.9
85.02910	100.0
86.09713	2.8
87.04482	9.9
91.03952	4.5
91.05482	2.4
95.06126	1.3
97.02902	43.9
99.04449	3.3
105.07033	2.0
109.02875	7.6
110.07209	1.3
115.03935	35.6
116.07121	1.3
118.08604	1.2
119.08596	1.6
120.08126	1.6
121.10179	1.2
127.03923	26.4
128.06181	1.5
129.07028	1.2
132.06612	1.7
133.04958	15.6
143.08624	1.5
145.04967	50.7
150.07613	3.8
163.06021	26.1
172.07719	1.4
178.13135	1.4
186.45128	1.3
199.67371	1.1
205.88318	1.1
209.13100	1.1
221.13225	1.2
223.06038	3.6
233.15334	3.6
241.07051	3.4
259.08127	3.8
263.62469	1.4
265.16504	3.1
302.25699	1.2
396.25443	2.4
414.26764	6.9
435.95712	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35131	1.3
56.05032	4.7
67.05502	1.4
69.03419	3.2
69.07059	4.9
69.07407	1.6
69.74362	2.5
69.74759	3.7
70.02961	1.3
70.06596	8.6
72.08160	15.4
75.05598	1.3
83.06105	1.7
84.04515	3.0
84.08152	98.0
85.02901	3.2
85.08501	1.5
86.09710	35.3
87.05594	3.9
88.04014	2.5
89.03941	3.7
89.10791	5.0
96.08130	1.6
97.02911	1.5
97.29235	1.1
98.06024	1.9
98.09679	2.0
98.21422	1.8
102.05563	1.7
102.89928	1.2
105.56801	1.4
107.04960	2.2
110.02453	1.4
110.07177	10.3
111.09208	5.6
112.07624	6.9
112.08665	1.5
117.03419	6.0
120.08080	1.4
127.04059	1.8
127.05031	6.7
129.10268	4.2
130.08675	2.4
135.04434	14.0
135.09172	3.4
136.07561	9.7
137.07915	1.9
137.10768	1.6
138.05466	1.5
139.08717	10.4
142.05240	1.6
145.02840	10.2
151.08662	1.3
152.14334	10.1
153.10304	2.4
155.04524	2.6
156.97455	1.4
157.03502	1.3
158.06657	5.8
159.06783	1.5
160.06395	5.8
161.02943	1.6
162.12744	1.4
163.03918	100.0
163.08656	16.7
164.04300	1.9
164.07059	6.7
170.06743	2.1
171.11287	1.4
176.07710	3.1
178.07355	2.5
179.15479	2.3
180.11346	4.2
181.09729	11.8
186.04431	2.4
188.07704	5.4
189.03770	1.7
189.07863	1.4
190.07422	7.4
191.70647	1.4
197.16542	5.4
198.12396	8.3
198.98627	1.4
209.09325	2.7
210.12376	3.0
213.12216	1.3
220.10860	3.1
224.17584	19.0
234.11287	3.0
237.13507	10.8
238.09370	2.6
238.11877	4.7
249.16095	4.7
251.14226	9.0
252.17091	4.3
253.12158	6.9
255.14557	50.2
263.12405	1.5
265.12186	3.0
266.11658	1.4
266.18573	3.3
271.13425	3.8
281.13486	5.3
283.13373	13.7
284.08054	6.4
284.10236	2.2
294.18039	4.9
302.09161	4.7
309.19296	2.9
311.20694	1.7
313.37656	1.3
323.20795	6.9
326.80368	1.2
351.20306	11.9
352.23361	2.4
368.22964	26.4
379.19604	3.5
385.25516	3.2
396.22452	79.7
397.22910	2.4
413.19376	21.8
413.24786	2.9
424.70517	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	413.142
Annotation	t(6)a
Peak:m/z	Relative Intensity
53.37619	0.4
55.05507	0.5
55.79635	0.4
56.05029	0.9
57.41037	0.3
60.02684	0.4
67.65194	0.4
70.06605	3.9
71.41087	0.7
72.08165	4.0
74.06084	2.4
84.04511	0.9
84.08157	2.8
86.09713	1.1
89.10803	0.5
97.02856	0.4
97.99488	0.4
102.05540	1.3
112.08774	0.4
112.11260	0.5
119.03559	3.8
120.06598	8.0
123.04439	0.4
129.10234	0.7
136.06201	100.0
137.04590	1.2
137.06613	0.5
145.02795	0.8
148.07535	0.5
162.04128	59.9
163.04016	0.6
177.78024	0.4
178.05038	0.7
179.05379	0.8
206.67831	0.4
246.64479	0.4
250.10796	0.5
251.11099	1.2
268.10406	1.2
281.09964	44.7
282.10339	1.1
287.05374	0.9
390.53357	0.4
413.15735	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	1.3
70.06596	1.5
71.49567	0.3
72.08158	7.5
79.05464	0.4
84.08150	1.6
85.02905	1.6
86.09711	0.5
89.03922	3.2
89.10794	3.8
97.02909	0.6
98.06051	0.3
101.00881	0.5
107.04948	1.2
110.07164	0.8
114.09184	0.3
115.08680	0.7
117.03384	6.6
118.03618	0.3
119.01916	0.9
120.08115	1.9
120.41876	0.2
127.02458	0.4
127.03935	0.4
129.10265	0.3
135.04420	13.6
143.01910	0.5
143.63763	0.3
145.02794	12.1
163.03906	100.0
164.04265	0.9
194.84595	0.3
206.06728	0.3
221.06604	0.4
230.49646	0.3
234.11246	5.9
239.04092	0.5
248.07697	0.8
251.13934	9.3
255.14392	0.4
257.05130	0.4
265.02032	0.5
266.08716	0.6
270.23572	0.3
283.03024	1.6
295.68866	0.3
301.04016	1.1
307.08084	0.7
325.09167	0.9
371.14642	0.7
396.16513	1.9
396.22369	0.9
413.19202	17.7
414.19293	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	5.5
61.27937	1.6
67.05510	16.1
69.07066	4.2
69.47837	11.6
70.02936	4.8
70.06591	2.7
74.02442	36.6
79.05494	14.9
81.07060	21.2
83.08641	2.6
84.08155	2.2
88.03996	57.2
91.05480	5.9
91.20710	1.7
93.07059	16.3
95.08608	19.0
105.07034	5.7
107.08569	11.4
107.77345	1.7
109.10165	7.0
116.03447	23.3
117.07011	3.6
118.08665	3.6
119.08596	5.7
121.10136	6.7
123.11735	2.8
131.08580	4.5
133.10136	2.0
134.04494	100.0
135.11699	5.2
145.10132	4.6
147.11708	4.2
149.13260	3.4
158.49673	2.1
159.11751	2.5
163.14806	3.5
173.13284	5.4
177.16365	2.8
200.60356	1.6
240.15579	1.7
243.21080	6.5
261.22141	15.8
264.68634	1.6
297.58765	1.7
412.29703	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	412.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99490	1.1
55.05515	1.5
56.05034	1.7
57.03447	8.1
60.04530	2.7
66.50977	1.2
67.01873	2.9
69.03083	2.2
69.03432	27.6
69.42822	2.0
69.43233	6.1
70.06594	5.5
70.07979	1.1
71.01357	1.2
71.05003	1.4
72.08161	7.0
73.02900	1.5
74.06087	6.1
75.25320	1.4
83.06091	1.5
84.04501	3.4
84.08150	6.5
85.02921	15.9
86.09721	2.3
95.01324	4.1
97.02993	1.1
98.21552	2.2
99.04465	28.9
99.05536	1.4
105.37365	1.2
110.07156	2.5
112.08750	1.8
112.11272	1.4
113.02374	9.2
118.22164	1.2
120.08128	4.5
121.08466	3.5
127.03923	80.0
129.10258	2.2
131.03471	1.4
136.06203	1.7
136.07576	1.8
141.01819	6.8
150.05519	3.0
159.02992	1.1
159.07690	1.8
166.08644	1.9
169.05043	2.0
177.29099	1.2
201.07602	100.0
231.33673	1.0
236.11134	1.7
250.12126	2.1
254.12225	2.3
315.41742	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	412.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46620	1.4
55.01878	2.2
55.05502	6.0
56.53623	1.6
57.03437	34.8
58.32249	1.5
59.05015	1.6
61.02929	11.4
62.00634	1.4
67.05505	1.9
69.03431	44.4
69.87056	5.9
70.06601	11.1
71.01343	4.2
71.04993	6.3
71.16429	1.3
71.68337	1.3
72.08143	5.2
73.02921	63.2
81.03413	6.4
81.07047	1.6
83.04989	1.7
83.08617	7.5
84.04496	1.6
84.08150	8.0
85.02908	100.0
86.09717	5.9
87.04464	14.2
91.03959	5.6
93.07072	2.2
97.02897	58.3
97.03533	2.8
97.06538	1.5
99.04451	4.8
99.85085	1.6
103.03973	1.7
104.10754	3.9
109.02883	7.9
110.07160	2.3
111.08081	2.3
115.03933	45.4
127.03922	26.2
129.09116	2.6
129.10208	1.6
133.04974	26.6
133.05878	2.7
136.07605	1.8
139.07558	3.8
141.09100	1.7
143.44397	1.4
145.04967	41.6
145.10126	2.3
150.07637	5.7
151.07565	2.2
155.10623	1.6
158.32681	1.5
163.06056	15.4
167.10756	2.3
175.11237	2.9
184.07347	4.3
193.04965	1.5
223.05998	4.4
227.12807	3.0
241.07172	3.6
245.13895	3.4
259.08130	3.2
263.14905	5.4
274.06482	1.7
295.10190	2.4
324.12341	2.4
327.52493	1.6
404.56833	1.6
412.20349	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	411.1995
Annotation	1-Acetyltagitinin A
Peak:m/z	Relative Intensity
55.05506	1.7
56.05025	0.9
58.81496	0.4
69.03424	0.8
70.06599	5.1
71.39293	0.8
72.08160	7.2
74.06078	0.6
79.05475	0.9
81.03355	0.6
83.04980	0.4
84.04504	0.9
84.08147	6.6
85.02916	0.6
86.09708	3.7
89.22240	0.4
91.05477	1.1
93.07034	0.5
95.04956	0.5
95.08604	0.6
97.06554	0.4
103.05484	0.4
105.07040	0.5
112.07590	0.4
112.08750	0.4
120.08128	2.2
124.35826	0.4
129.10231	3.1
131.08565	0.5
136.06287	0.5
136.07582	1.0
144.99568	0.5
145.10071	0.6
162.04158	0.5
195.11795	0.5
197.16438	0.4
215.14151	0.5
218.81477	0.5
249.14621	0.7
291.14499	0.5
292.14023	0.8
324.08109	0.4
353.15814	1.5
411.19913	100.0
412.20319	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	411.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05043	9.8
57.03442	2.1
57.42891	1.0
59.55943	1.1
60.04530	39.8
62.21994	1.0
69.03436	3.3
69.04553	5.7
70.02961	3.4
70.06593	9.3
70.79330	1.0
70.79667	3.2
72.08142	1.2
74.06084	72.4
84.04511	5.3
84.08144	1.1
86.06064	5.4
86.09729	1.3
87.05586	4.6
91.05476	1.4
99.05583	6.6
101.07160	1.3
103.05474	3.9
103.08721	2.8
113.07153	6.9
115.05042	2.6
116.03498	2.0
117.06614	4.2
120.08114	100.0
121.08483	1.5
127.04059	1.2
127.05014	1.4
130.06577	1.6
131.04916	3.0
131.08170	28.9
132.08118	4.8
139.05084	1.0
143.95819	1.1
144.08090	4.9
145.06087	9.6
146.06015	1.4
159.07671	50.2
160.07664	3.3
166.08656	58.0
167.08975	1.5
172.07599	6.2
182.09229	1.8
185.05638	1.2
189.10254	3.8
200.10323	3.5
200.68631	1.2
201.08803	2.1
206.08139	2.5
207.11275	13.7
217.09766	2.9
218.11320	6.1
228.09857	7.2
235.10796	43.0
235.13213	2.3
236.11188	1.7
246.10797	27.5
246.12944	1.8
250.16428	1.2
252.31172	1.2
253.11862	50.5
254.12331	1.5
263.10443	1.3
292.12946	8.2
310.14020	4.4
332.12418	2.3
361.49911	1.3
375.16367	1.6
393.17697	10.5
411.18762	2.4
418.96393	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	411.163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.8
55.05503	1.8
60.04506	1.1
63.90529	0.7
69.07046	0.9
70.02940	0.8
70.06596	10.0
71.49654	0.9
72.08164	12.6
81.03407	1.0
84.04494	1.7
84.07648	0.8
84.08146	14.6
85.02904	1.2
85.04030	1.1
85.08431	0.9
86.09715	8.4
87.10023	0.9
91.05491	5.3
105.07005	0.8
110.07162	1.8
112.08688	1.1
116.07130	0.9
119.04951	1.9
119.08653	0.9
120.08112	7.3
123.04428	0.9
123.92834	0.8
129.10249	4.0
130.08600	1.5
136.07582	8.6
137.07935	4.3
139.04004	0.7
146.05969	1.3
147.04387	0.7
160.07504	1.1
181.07097	0.9
207.08617	2.7
225.09694	1.5
231.08629	2.0
231.13771	1.0
234.09584	1.2
249.09637	6.1
249.14803	1.7
251.10251	3.2
252.10667	4.0
255.10825	0.9
267.10785	12.2
279.06845	2.5
285.11856	1.1
291.10687	3.5
309.11746	3.2
323.05646	2.0
350.14117	2.1
394.12939	3.2
411.15985	100.0
412.16129	3.2
435.12125	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.0
56.05038	2.2
56.12516	1.3
56.96577	1.8
59.32685	1.3
60.04543	7.4
69.03450	2.2
69.07061	1.3
70.02960	1.4
70.06590	16.1
71.49037	2.7
72.08156	5.7
74.06089	13.0
79.05509	1.5
84.04504	6.1
84.08144	11.6
85.02924	2.4
85.08488	1.7
86.09713	2.0
87.18658	1.4
91.05489	2.4
97.02875	1.9
98.06043	3.6
98.97562	3.3
110.07146	3.2
111.40778	1.4
112.07600	10.0
114.97883	1.2
116.07107	2.0
119.04903	1.7
120.06734	1.6
120.08118	28.7
122.04601	1.9
124.99075	1.3
127.03926	1.3
129.10239	3.7
130.04948	1.9
131.01898	2.0
131.08192	1.9
133.03473	1.9
136.07614	7.5
140.05563	7.9
140.07141	1.6
145.06090	2.5
147.04402	3.1
154.44217	1.3
156.97537	1.8
158.06639	56.1
158.07945	2.9
161.03027	2.0
161.09187	1.6
163.07179	5.1
166.08618	5.0
170.06654	19.1
171.11432	1.7
176.07693	22.5
176.10654	7.3
181.08266	1.7
182.08243	2.5
188.07703	49.6
189.07898	1.9
208.08195	2.3
211.34827	1.5
213.12317	2.7
220.08159	1.8
221.12852	7.6
225.10857	11.0
228.09850	2.0
235.10840	4.3
236.07663	10.5
238.09251	8.2
239.12300	2.6
243.11877	3.9
246.10707	1.9
249.04356	2.5
249.12459	2.9
251.12430	44.4
252.07567	1.7
252.12636	2.7
253.11932	2.1
254.08827	7.5
256.10300	7.9
261.11246	1.8
263.12439	25.6
264.07318	7.9
267.05209	2.0
269.13452	18.4
281.13480	100.0
282.08231	50.1
282.13626	4.9
283.08401	2.0
288.79584	1.6
300.09293	40.4
301.09326	1.7
304.14944	1.8
309.24078	1.5
351.07715	5.3
369.08786	2.4
375.16766	2.1
393.17792	3.3
399.89957	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	411.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	15.4
57.69109	13.2
59.05022	12.8
67.05507	45.1
69.03443	57.7
69.07057	32.8
70.06589	17.4
70.74884	16.7
70.75235	24.6
72.08150	11.0
73.02974	11.6
79.05508	24.4
81.03419	36.3
81.07069	71.9
83.08620	14.1
85.02914	100.0
85.95405	11.9
86.90535	12.0
86.94928	12.6
87.00818	63.7
91.05495	24.9
93.07044	37.9
95.04990	14.9
95.08624	47.9
97.02919	41.7
97.06548	13.6
99.04440	21.5
105.01868	75.6
105.07040	42.7
107.08606	27.6
109.02876	17.7
109.10185	47.9
111.54777	12.9
117.07045	13.4
118.08663	43.3
119.08594	47.0
121.10134	28.6
127.03939	64.9
133.10143	14.7
145.04962	29.5
145.10081	15.2
147.11684	22.2
147.26352	11.8
149.13319	17.5
159.11667	21.7
161.13269	23.3
163.14857	13.4
166.63776	10.8
166.87592	10.3
173.13248	10.3
185.13071	11.0
189.16583	11.8
210.18570	36.2
216.22343	12.1
231.04904	19.6
351.16678	10.9
411.36316	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	409.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16137	3.3
55.01877	99.3
55.05511	9.7
57.07078	6.2
59.88488	3.1
67.05517	29.7
67.95250	3.6
69.03426	6.0
69.07069	27.1
69.69305	5.3
69.69712	19.3
72.71565	3.7
79.05505	18.3
81.07073	32.6
83.04976	5.9
83.08622	8.6
85.10133	4.0
89.60044	3.4
91.05489	14.1
93.07031	17.8
95.04981	6.9
95.08611	26.6
97.06540	100.0
97.10163	6.3
97.94495	3.4
98.21474	4.1
98.98470	4.0
105.07024	10.1
107.08600	13.6
109.10193	17.1
111.08099	4.0
111.11757	3.6
113.00022	12.5
115.00378	3.4
119.08580	15.0
121.10157	14.0
123.08054	5.4
123.11694	3.8
131.08607	5.5
133.10161	8.9
133.37541	3.2
135.11679	8.8
137.09648	17.0
139.11153	5.4
145.10141	4.4
147.11699	7.7
149.13336	3.6
151.11217	3.7
161.13272	5.0
165.12720	5.2
169.02655	3.8
171.03171	4.5
249.22124	9.6
261.46918	3.8
277.21692	34.3
295.22696	29.1
384.24780	3.4
417.72189	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30101	1.0
53.03963	2.0
54.30571	1.1
55.05513	18.9
55.11308	1.0
57.03436	3.4
57.07071	2.3
65.59879	1.0
66.00468	1.2
67.05502	9.7
69.03411	1.1
69.07080	9.2
69.60255	6.0
70.06600	2.1
71.04995	2.3
75.05576	1.0
77.03934	1.3
79.05495	7.3
80.17963	1.1
81.03415	1.5
81.07057	23.6
83.04984	1.8
83.08624	39.9
91.05490	8.4
93.06480	1.8
93.07050	22.2
95.04951	2.8
95.08615	23.0
97.06525	2.3
97.10177	2.5
99.08112	1.4
100.91987	1.1
105.07037	14.2
107.04942	2.2
107.08604	11.5
109.06519	3.0
109.10165	11.6
111.08089	53.1
111.11710	1.8
113.09644	2.8
115.05447	3.2
117.06992	3.7
119.08587	7.8
121.06508	1.8
121.10139	11.7
123.11726	10.1
125.09643	1.8
128.06204	4.1
129.07001	18.9
131.08586	9.3
133.06517	1.3
133.10141	8.2
135.11707	4.4
137.09612	3.4
139.11189	17.0
141.06993	4.6
141.12761	7.8
142.07784	23.9
143.08557	7.9
145.10130	9.0
147.11707	5.4
149.09641	1.3
149.13254	3.0
153.07039	2.3
154.07762	1.3
155.08566	47.9
156.09207	1.8
157.10138	100.0
159.08055	1.7
159.11707	9.1
161.13309	2.7
165.07079	3.0
166.07863	2.6
167.08578	3.7
168.09331	3.4
169.10109	7.6
171.11694	8.6
173.09653	5.5
173.13263	2.8
175.11186	2.2
175.14955	1.5
179.08560	4.5
180.09375	2.4
181.10109	8.5
182.10931	1.3
183.11694	14.7
185.13293	4.4
185.82312	1.2
187.14810	1.7
189.16504	1.6
193.10133	4.5
194.10872	2.0
195.11700	17.7
197.13229	9.5
199.11301	1.7
199.14769	1.4
205.10143	2.1
207.11703	5.2
209.13258	11.3
211.14735	6.7
213.16368	1.6
220.12646	1.3
221.13255	5.2
223.14828	5.1
225.16351	2.7
234.14053	1.1
235.14861	4.1
237.16420	2.6
239.18208	1.3
243.21295	1.5
247.14763	2.2
249.16364	15.8
251.18007	19.0
253.19565	4.7
263.18036	1.5
267.17471	20.7
269.19055	8.8
270.43378	1.1
277.19516	2.4
277.68619	1.1
279.21234	1.6
281.22629	4.9
289.19388	1.4
291.21069	10.6
299.23627	1.5
307.20670	1.7
309.22006	10.4
327.23245	3.7
373.28903	2.7
391.30103	10.6
409.22385	2.3
409.31018	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	409.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.8
54.79895	1.9
55.01877	5.5
55.05516	14.8
57.03441	7.0
57.07082	10.1
65.03956	2.7
67.05509	26.7
67.65586	2.1
69.03436	4.5
69.07071	23.0
70.06601	4.9
71.04217	4.0
71.04999	3.9
71.08632	14.5
79.05494	15.1
81.07059	44.4
82.06619	1.8
83.05010	4.7
83.08634	8.6
85.06547	5.2
86.09727	1.9
91.05475	15.0
93.07051	29.6
95.04976	28.8
95.08615	30.4
97.02902	2.1
97.06568	11.4
97.10219	3.6
99.08109	14.4
100.07589	2.5
101.07883	1.8
105.07030	32.1
106.07397	4.1
106.75127	1.9
107.04932	1.9
107.08607	18.3
109.06519	48.7
109.10147	11.2
109.73268	1.6
111.04447	1.9
111.08152	2.2
111.14253	1.8
117.07025	4.6
119.08595	23.8
120.08926	3.2
121.06508	14.1
121.10139	10.7
123.08103	6.0
123.11687	3.6
129.07091	2.4
131.08559	15.5
133.10175	11.2
135.08107	8.1
135.11723	6.5
137.09584	2.8
139.11256	4.7
141.07120	2.2
143.08621	5.0
145.10147	13.1
147.08078	4.6
147.11694	8.8
149.09692	5.1
149.13333	2.3
151.07654	2.3
151.11217	2.4
154.08670	5.0
155.08627	2.2
157.10179	6.5
159.08092	2.3
159.11748	7.8
161.13293	4.8
163.11227	7.9
165.09135	5.3
165.12766	82.7
169.10164	2.9
171.11702	2.3
173.13252	3.2
175.11244	2.9
175.14879	5.5
177.12776	3.8
179.14331	4.4
183.11726	4.6
184.07382	6.1
191.14403	5.0
201.16454	4.4
203.14392	2.5
209.19073	11.2
211.14914	2.8
219.17470	2.4
221.15442	8.4
236.62120	2.0
249.18639	2.6
279.19583	2.4
289.25208	19.5
299.23700	3.7
307.26453	2.9
316.22864	8.6
317.24924	100.0
318.25092	2.4
335.25797	40.1
391.28461	10.1
409.29568	68.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.8
54.79895	1.9
55.01877	5.5
55.05516	14.8
57.03441	7.0
57.07082	10.1
65.03956	2.7
67.05509	26.7
67.65586	2.1
69.03436	4.5
69.07071	23.0
70.06601	4.9
71.04217	4.0
71.04999	3.9
71.08632	14.5
79.05494	15.1
81.07059	44.4
82.06619	1.8
83.05010	4.7
83.08634	8.6
85.06547	5.2
86.09727	1.9
91.05475	15.0
93.07051	29.6
95.04976	28.8
95.08615	30.4
97.02902	2.1
97.06568	11.4
97.10219	3.6
99.08109	14.4
100.07589	2.5
101.07883	1.8
105.07030	32.1
106.07397	4.1
106.75127	1.9
107.04932	1.9
107.08607	18.3
109.06519	48.7
109.10147	11.2
109.73268	1.6
111.04447	1.9
111.08152	2.2
111.14253	1.8
117.07025	4.6
119.08595	23.8
120.08926	3.2
121.06508	14.1
121.10139	10.7
123.08103	6.0
123.11687	3.6
129.07091	2.4
131.08559	15.5
133.10175	11.2
135.08107	8.1
135.11723	6.5
137.09584	2.8
139.11256	4.7
141.07120	2.2
143.08621	5.0
145.10147	13.1
147.08078	4.6
147.11694	8.8
149.09692	5.1
149.13333	2.3
151.07654	2.3
151.11217	2.4
154.08670	5.0
155.08627	2.2
157.10179	6.5
159.08092	2.3
159.11748	7.8
161.13293	4.8
163.11227	7.9
165.09135	5.3
165.12766	82.7
169.10164	2.9
171.11702	2.3
173.13252	3.2
175.11244	2.9
175.14879	5.5
177.12776	3.8
179.14331	4.4
183.11726	4.6
184.07382	6.1
191.14403	5.0
201.16454	4.4
203.14392	2.5
209.19073	11.2
211.14914	2.8
219.17470	2.4
221.15442	8.4
236.62120	2.0
249.18639	2.6
279.19583	2.4
289.25208	19.5
299.23700	3.7
307.26453	2.9
316.22864	8.6
317.24924	100.0
318.25092	2.4
335.25797	40.1
391.28461	10.1
409.29568	68.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13334	2.4
50.47867	2.1
53.03947	6.5
54.05915	2.2
55.01861	5.4
55.05518	18.0
57.03424	3.7
57.07076	9.7
59.04989	5.2
65.03944	4.8
65.14883	2.4
67.05507	28.7
69.03425	8.8
69.07068	10.3
70.06598	4.9
71.08627	2.4
71.51014	4.8
79.05502	31.1
81.03432	4.3
81.07058	49.6
83.05003	6.7
83.08615	4.2
84.08146	5.0
85.06551	4.9
86.09718	2.8
91.05489	48.7
92.05812	3.3
93.07048	62.4
95.04980	55.8
95.06055	2.1
95.08613	41.9
97.06535	9.6
99.08122	2.5
103.05484	6.0
105.04507	4.5
105.07037	100.0
106.07361	3.4
107.08610	29.3
109.06513	22.2
109.10194	13.4
111.08120	4.1
115.05438	5.0
115.92383	2.3
117.07031	16.5
119.08586	69.1
120.08113	3.3
121.06512	24.0
121.10145	21.2
122.05933	2.5
123.08067	19.9
124.99935	2.8
128.06230	6.6
128.07089	4.1
129.07021	16.5
130.07809	8.5
130.41220	2.1
131.08594	32.5
133.06511	3.1
133.10132	24.1
135.08051	17.3
135.11734	5.4
137.09628	14.2
141.07030	4.1
142.07794	15.8
142.08769	3.1
143.08560	24.5
144.09364	4.0
145.10147	45.5
146.10558	3.0
147.08072	21.1
147.11703	30.8
149.09589	12.2
151.07532	24.1
153.06927	3.2
153.09084	3.0
154.08722	4.0
155.08618	12.5
156.09308	6.3
157.10135	21.7
159.08102	7.2
159.11676	20.6
161.09642	11.7
161.13289	6.4
163.11205	7.8
165.09138	43.3
165.12732	14.4
167.08614	6.8
168.09331	6.0
169.10132	12.9
170.10765	2.3
171.11693	9.8
173.09738	4.9
173.13240	11.0
175.11160	15.8
175.14732	4.7
177.09140	5.1
179.08572	3.4
181.10101	6.9
181.12248	3.2
183.11732	15.3
184.07361	8.4
185.13263	6.3
187.11183	7.3
187.14857	4.4
189.12764	7.6
191.14293	6.0
193.10274	3.1
195.11816	6.7
197.13223	5.1
199.11177	3.2
199.14883	3.6
201.12730	9.4
203.14345	16.9
207.12009	2.9
207.13829	10.4
209.13373	5.4
209.15366	5.9
211.14828	9.3
213.12732	5.6
219.13814	3.6
221.13640	2.8
221.15390	77.7
225.16405	2.6
229.15825	7.7
231.13757	3.8
233.15408	3.2
234.16205	7.9
260.15543	2.3
286.19302	3.9
287.20023	10.7
300.20883	4.7
311.20102	2.6
316.22699	8.8
317.23264	16.4
322.75055	2.4
329.20969	6.5
335.25778	4.0
391.26288	5.3
409.27377	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2741
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
52.78773	2.8
53.03937	5.3
55.05523	14.5
56.75951	2.7
57.07067	5.1
59.04994	5.0
67.05516	22.1
69.03421	9.8
69.07055	9.2
70.75616	6.3
71.04977	3.0
77.03970	2.7
78.27397	2.9
79.05505	21.9
81.07071	35.5
83.04976	6.4
83.08633	3.5
85.06529	3.5
91.05494	32.0
91.30586	2.9
91.74974	3.1
93.06481	3.8
93.07052	46.9
95.04971	48.9
95.08608	31.0
97.06564	14.1
103.05446	4.8
105.07041	100.0
107.08597	24.0
109.06509	16.7
109.10170	18.1
115.05436	3.9
117.07025	15.4
119.04941	3.3
119.08588	60.1
121.06496	20.7
121.10149	13.4
123.08074	18.7
128.06198	3.7
129.07008	9.3
131.08572	26.4
133.06470	6.7
133.10144	18.7
135.08046	15.4
135.11682	4.4
137.09630	8.1
141.06976	3.9
142.07826	13.6
143.08548	17.1
144.09338	3.7
145.10129	38.7
147.08052	17.2
147.11710	31.8
149.09599	14.2
151.07568	22.5
153.07005	4.6
155.08540	11.2
156.09392	4.7
157.10133	22.6
159.08049	8.3
159.11725	16.0
161.09637	9.1
161.13257	6.3
163.11177	5.2
165.09140	34.0
167.08475	3.8
168.09364	4.8
169.10146	13.9
171.11696	11.5
173.09618	5.1
173.13266	5.5
175.11211	24.3
177.09108	4.1
178.09856	3.5
181.12263	3.7
183.11691	11.9
185.13300	10.4
187.11209	5.7
187.14865	4.7
189.12738	7.9
191.14339	3.9
195.11720	5.2
196.12439	3.8
197.13254	3.3
201.12744	8.9
201.16273	2.9
203.14304	17.7
207.13898	8.9
209.13348	6.3
209.15369	5.5
211.14882	6.4
219.13821	4.3
221.13261	2.5
221.15372	60.3
227.14352	3.5
229.15855	5.5
234.16147	9.2
268.18430	2.9
286.19150	3.9
287.20151	8.6
300.20889	5.2
329.20953	5.6
391.26318	9.3
407.04993	3.3
409.27454	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	409.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.8
55.05510	13.8
57.07066	7.0
57.33527	1.8
59.04998	2.4
61.86259	1.8
65.03937	3.1
67.05507	12.3
69.03418	6.9
69.07065	7.3
71.15440	3.5
77.03927	3.2
79.05508	17.0
81.03411	2.1
81.07058	25.7
83.04971	4.5
85.06538	3.6
88.97890	2.1
91.04982	2.7
91.05487	32.3
93.06487	3.1
93.07051	44.8
95.04979	47.0
95.08609	22.9
97.06525	5.5
103.05467	5.2
105.04561	2.6
105.07040	100.0
107.04922	2.1
107.08606	21.8
109.06541	11.3
109.10156	4.7
115.05457	3.1
116.06281	2.1
117.07027	15.2
119.04908	3.9
119.08586	66.5
121.06523	17.7
121.10140	13.6
123.08070	16.4
128.06172	2.6
129.06956	7.2
130.07809	4.4
131.08577	19.5
133.06503	6.0
133.10132	15.3
135.08084	11.8
135.11679	4.2
137.09625	9.3
141.06963	4.4
142.07739	10.7
143.08557	14.0
145.06491	2.1
145.10146	37.3
146.10889	2.1
147.08063	12.5
147.11700	41.6
149.09633	14.0
150.10446	2.5
151.07556	16.8
152.23970	1.8
153.09082	2.2
154.07724	1.8
155.08521	5.3
156.09297	4.0
157.10156	22.4
158.10878	2.5
159.08102	6.1
159.11705	10.6
160.08856	3.6
161.09633	7.7
161.13306	5.4
163.11168	3.8
165.06982	2.6
165.09117	31.0
167.08559	2.1
168.09341	4.3
169.10121	8.1
170.10901	4.0
171.11696	7.8
173.09679	4.9
173.13307	5.4
175.11195	31.2
175.14777	2.3
177.09131	4.4
178.09904	2.3
179.08572	3.5
181.10083	4.9
183.11684	10.4
185.13226	5.0
187.11218	2.8
187.14894	3.1
189.12704	5.2
193.10010	2.8
195.11694	1.9
197.13249	4.5
199.11197	2.7
199.14781	2.2
201.12715	9.8
203.14326	15.2
207.11967	3.4
207.13847	7.6
209.13303	4.5
209.15297	3.2
211.14763	3.1
213.12784	1.8
215.14238	2.6
216.15120	2.1
219.13875	4.3
221.15373	69.4
223.14885	2.8
229.15924	6.7
231.13782	3.2
233.15392	4.6
234.16136	15.2
286.19302	3.0
287.20074	10.0
300.20749	6.1
313.21008	2.0
329.21323	2.0
391.26349	4.4
409.27322	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.5
55.01857	2.7
55.05517	18.1
57.07063	4.9
59.04986	4.1
61.01273	1.4
65.03942	2.5
67.05506	14.6
68.73686	1.1
69.03429	7.3
69.07067	5.4
77.03935	1.8
79.05499	21.5
81.07059	24.9
83.04983	5.7
85.06537	2.0
91.05489	37.5
92.82328	1.1
93.07052	41.4
95.04978	44.5
95.08611	25.6
95.60225	1.4
97.06538	5.9
103.05468	4.1
105.04539	1.8
105.07041	100.0
106.07354	1.7
107.04939	1.5
107.08605	23.8
107.27000	1.2
109.06544	9.5
109.10169	7.4
113.72534	1.1
115.05457	2.3
116.06226	1.5
117.07024	12.9
119.04922	2.3
119.08591	66.0
121.06512	15.7
121.10142	13.6
123.08060	14.0
128.06229	4.9
129.07008	8.8
130.07794	4.6
131.08568	22.1
133.06476	5.0
133.10138	16.8
135.08066	11.9
135.11691	3.3
136.64760	1.1
136.95992	1.2
137.05948	1.9
137.09653	9.3
141.07008	4.1
142.07814	9.3
143.08582	10.7
144.09309	4.0
145.06487	2.4
145.10136	33.8
146.07350	1.3
146.10881	2.3
147.08070	14.3
147.11700	40.1
148.00386	1.2
149.09624	13.4
151.07545	16.5
153.07060	2.1
153.09071	2.1
154.07761	1.6
155.08594	7.8
156.09349	5.4
157.10127	19.5
159.08095	6.3
159.11729	13.7
160.08829	2.0
161.09602	6.4
161.13263	5.2
163.11186	4.5
165.07007	1.5
165.09126	29.0
167.08604	3.4
168.09311	3.0
169.10074	7.8
171.11714	7.4
173.09685	6.2
173.13289	7.2
174.10480	1.8
175.11197	29.5
177.09081	4.2
178.09990	1.3
179.08470	1.8
181.10139	3.8
181.12305	1.5
182.10851	1.8
183.11746	7.4
184.07303	1.5
185.09689	1.8
185.13249	4.7
187.11108	3.3
187.14764	1.8
189.12723	5.2
191.14287	1.6
193.10107	2.7
195.11713	3.2
196.12531	1.7
197.13284	5.0
199.11195	3.3
199.14700	1.9
201.12779	9.1
201.16359	2.1
203.14322	12.8
207.11943	1.9
207.13748	8.2
209.13219	1.9
209.15324	2.9
211.14839	2.8
213.12851	2.8
215.14279	3.6
216.14999	2.2
219.13873	5.6
221.15376	60.3
222.15627	1.3
223.14734	1.6
223.28137	1.3
225.12923	1.4
227.14304	1.6
229.15884	4.2
231.13840	3.6
233.15495	2.6
234.16125	15.8
235.14664	1.2
249.16275	1.5
251.17844	1.6
253.15935	2.3
269.18964	1.4
286.19250	3.3
287.20041	7.5
300.20880	4.0
329.21021	4.9
337.06531	1.3
391.26285	3.5
409.27393	35.0
410.27679	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	409.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16568	2.0
53.03954	3.9
55.05519	18.0
57.03437	1.8
57.07062	6.4
59.04994	2.7
65.03929	3.8
67.05511	19.6
67.15540	1.7
69.03436	8.5
69.07059	6.8
69.14764	10.6
69.15189	9.4
71.05013	2.8
78.04694	1.8
79.05496	29.0
81.03417	2.7
81.07070	39.8
82.85632	1.8
83.04980	7.1
83.08619	3.8
85.06548	2.0
91.05489	45.8
93.07055	46.2
93.68761	1.6
95.03649	2.1
95.04979	47.8
95.08609	30.5
97.06525	6.7
98.21530	4.1
103.05490	4.4
105.07041	100.0
107.08608	23.5
109.06525	13.2
109.10143	8.7
115.05448	2.6
117.07035	15.6
119.08595	62.9
121.06528	17.6
121.10143	19.7
123.08072	21.1
123.11707	2.2
128.06242	4.1
129.07031	12.1
130.07756	4.1
131.08562	22.9
133.06519	2.5
133.10149	23.0
135.08058	13.8
135.11740	4.6
137.09637	11.1
141.07004	6.5
142.07805	14.8
143.08559	16.2
144.09332	5.1
145.06511	3.7
145.09059	3.3
145.10135	40.1
146.10997	2.7
147.08057	15.9
147.10666	3.1
147.11716	39.9
149.09644	13.7
151.07576	22.4
153.07094	2.5
153.09206	3.2
154.07759	2.6
155.08551	7.3
156.09358	5.0
157.10152	24.3
158.07237	2.1
158.10927	2.8
159.08067	6.6
159.11734	16.1
161.09641	7.0
161.13266	5.2
163.11169	6.0
165.09137	31.4
167.08598	6.1
168.09306	4.2
169.10168	12.3
170.10887	2.2
171.11662	12.1
173.09602	6.5
173.13246	6.6
175.11226	25.4
175.14777	2.6
177.09151	4.8
179.08586	3.3
180.09311	2.3
181.10112	5.2
181.12219	2.8
183.11703	12.8
185.09650	2.9
185.13292	6.0
187.11160	5.4
187.14867	3.7
189.12720	5.5
191.14372	2.8
193.10078	2.3
194.11006	3.3
195.11734	3.1
196.12442	2.8
197.13321	3.8
199.11203	4.1
201.12749	7.9
201.16367	4.1
203.14307	14.5
207.11792	4.0
207.13803	8.2
209.13289	5.6
211.14818	5.5
215.14297	3.5
219.13789	4.7
221.15370	62.1
223.14819	4.8
229.15794	5.4
231.13777	3.0
233.15370	3.1
234.16122	12.3
235.14664	1.8
243.13654	2.6
253.15898	2.5
286.19208	5.8
287.20102	7.8
299.20282	2.9
300.20871	5.9
312.20828	2.9
329.21097	6.0
373.25327	2.0
391.26343	5.1
409.27380	39.1
410.27505	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.1
55.05515	20.4
57.03422	2.4
57.07067	6.7
57.28479	2.1
59.04995	3.9
65.03915	3.7
66.28628	2.5
67.05505	18.7
68.98813	2.4
69.03426	8.7
69.07059	6.9
77.03902	2.3
79.05498	22.3
81.07063	29.5
83.04948	3.8
83.08568	2.1
85.06580	5.1
91.05489	39.4
93.07053	51.2
95.04974	52.3
95.08614	28.5
95.98020	2.2
97.06538	9.4
98.21583	3.8
105.07040	100.0
107.04988	2.3
107.08609	23.1
109.06528	16.3
109.10155	10.0
115.05422	4.2
117.07030	13.3
119.04896	3.2
119.08587	69.9
120.09381	2.5
121.06511	16.8
121.10148	15.2
123.08078	19.5
125.05891	2.5
128.06236	5.3
129.07008	10.1
130.07806	2.5
131.08568	23.4
133.06467	6.2
133.10144	18.7
135.08087	15.9
135.11682	3.6
137.09647	10.8
141.06984	6.5
142.07776	9.5
143.08575	16.6
144.09325	4.6
145.06522	2.7
145.10133	39.8
147.08063	16.2
147.11699	36.8
149.09653	12.9
150.89500	2.3
151.07552	21.7
153.07034	3.8
155.08591	10.4
156.09367	5.9
157.10129	23.4
158.10970	2.4
159.08075	4.5
159.11691	15.5
161.09624	8.1
161.13231	4.4
163.11255	3.1
165.09132	35.7
166.07693	2.6
167.08588	4.3
168.09262	2.3
169.10112	9.4
170.10855	2.6
171.11684	11.7
172.08784	2.5
173.09607	6.6
173.13266	8.7
175.11191	26.7
177.09143	3.7
180.09383	2.8
181.10155	6.3
182.10963	2.3
183.11705	10.0
185.09721	2.4
185.13225	5.7
187.11234	5.7
187.14861	4.5
189.12828	5.7
191.14317	2.6
195.11755	4.1
196.12398	2.7
197.13293	5.9
199.11221	3.4
201.12766	12.4
201.16310	3.3
203.14343	16.2
207.11882	2.9
207.13780	8.6
209.13266	4.1
211.14784	6.9
215.14253	2.3
219.13841	2.8
221.13368	3.1
221.15355	67.6
229.15909	5.2
231.13759	3.2
231.48685	2.1
233.15501	2.8
234.16116	16.2
253.16116	3.0
281.22720	2.1
286.19305	4.6
287.20062	8.1
300.20966	5.9
329.21008	6.1
391.26340	4.4
409.27405	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1837
Annotation	Woodhousin
Peak:m/z	Relative Intensity
51.95831	0.3
55.05509	0.6
67.05520	0.4
69.07066	0.5
70.06598	2.9
70.09145	0.7
70.37434	0.2
72.04197	0.2
72.08157	1.2
79.05451	0.4
80.68572	0.2
81.07072	0.6
82.92515	0.2
83.08620	1.0
84.04523	0.3
84.08125	1.1
85.02907	0.4
86.09701	0.7
91.05475	0.5
93.07040	0.8
95.08615	0.5
97.06529	0.4
99.51902	0.3
101.64886	0.2
105.07024	0.6
107.01061	0.4
107.08616	0.6
109.10153	0.4
111.08071	1.1
112.11241	0.5
113.06896	0.2
120.08093	1.2
121.10119	0.5
123.11717	0.4
129.10229	0.4
131.08545	0.3
139.11130	0.6
142.07785	0.6
155.08504	0.6
157.10146	1.6
159.11664	0.3
181.10277	0.3
188.07037	0.4
197.13225	0.3
203.05247	0.4
209.13275	0.4
247.13031	3.0
252.83012	0.3
269.18982	0.4
315.09869	0.2
409.18335	100.0
410.18674	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	14.7
56.05032	2.4
56.05854	1.8
58.99590	2.8
60.04531	1.3
69.03422	0.9
69.07075	2.6
70.02962	1.4
70.06598	12.3
70.18450	1.7
70.18845	1.4
72.08159	100.0
75.57026	0.7
76.02232	1.1
78.59596	0.7
81.50279	0.7
83.05012	0.9
83.06131	1.0
83.08620	6.3
84.04515	7.0
84.08148	11.6
84.08929	1.6
85.04861	1.5
86.09710	39.2
86.99072	2.0
87.05596	3.2
88.04005	1.6
91.05505	2.5
93.07072	1.6
95.05023	0.9
96.08136	1.7
97.02856	0.9
98.02420	3.7
99.05604	1.4
101.09649	0.9
102.05543	0.9
103.05463	1.4
110.02407	1.7
110.07189	1.2
110.09716	1.0
112.08763	0.9
112.11257	2.1
113.07154	1.3
113.10796	2.0
116.01698	7.2
116.07104	1.3
117.02038	2.4
119.04916	1.4
120.08112	79.6
121.08488	1.4
123.04463	1.8
129.10225	3.6
130.05011	1.5
136.07594	8.3
138.09151	4.1
141.10226	6.1
144.01132	4.1
144.99640	0.9
145.01572	1.4
147.04460	2.1
155.11807	8.1
159.08430	3.0
160.08759	2.1
162.02226	12.4
163.02614	5.4
165.05510	2.7
166.08699	1.4
174.05672	1.2
175.11987	0.7
177.10231	32.1
182.08206	2.5
183.11301	6.0
187.10844	2.6
200.13959	29.1
201.12415	1.6
205.09793	24.9
205.11888	14.8
215.45757	0.8
217.68269	0.9
228.13446	5.9
234.16907	0.8
247.06207	0.9
259.14532	2.6
262.11230	3.1
263.11432	6.6
280.14169	1.5
295.16714	1.4
304.16574	3.5
324.21863	0.8
334.15292	3.3
346.17313	0.8
375.15692	0.8
391.19669	1.6
401.87500	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61587	0.2
55.05507	0.5
56.05030	0.8
68.61395	0.3
68.76266	0.3
70.06599	3.3
70.70731	0.4
70.71050	0.3
72.08172	2.3
74.02440	1.2
74.06073	0.6
75.02714	0.5
84.04502	1.3
84.08151	2.1
86.09708	1.6
86.59980	0.3
86.60571	0.2
88.03994	0.7
91.05486	1.0
93.07038	1.0
95.05028	0.3
101.07150	5.5
102.05587	0.3
103.05477	3.3
104.05344	0.4
110.07174	1.1
112.08744	0.3
120.08115	100.0
121.08468	1.0
122.06008	0.3
125.77860	0.2
129.06616	1.8
129.10240	0.8
130.05045	0.4
130.06537	0.4
132.08115	1.0
134.04488	0.7
136.07594	1.0
166.05356	2.4
170.06053	0.3
187.08652	0.4
191.11804	0.5
216.11273	0.3
231.11353	1.2
237.12383	0.4
263.10202	0.3
276.13522	0.9
281.11346	12.3
281.14508	0.6
391.15967	0.6
409.14612	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91553	1.2
58.99876	1.7
63.57748	1.0
70.06587	4.4
72.08146	5.0
82.99845	2.4
84.04517	4.3
84.08157	7.9
86.09702	2.1
91.70461	1.1
94.99892	1.5
97.01389	1.6
97.02874	2.3
98.45378	1.2
98.97578	4.2
101.00886	18.2
102.05474	1.3
113.00878	9.8
115.02460	7.2
116.98598	2.6
118.08652	1.7
119.01938	12.3
119.04932	1.8
120.08091	9.5
121.01793	1.7
124.06361	1.3
125.00890	1.2
127.02416	4.0
129.03967	3.9
129.09355	1.2
129.10219	3.0
130.05002	4.3
131.01913	18.0
131.05612	8.7
133.03499	6.2
136.07608	7.7
137.00844	4.1
137.02985	1.3
143.01907	46.5
145.03445	5.9
147.01418	1.7
147.04425	5.1
147.07646	5.0
149.06604	11.9
155.01906	25.6
155.05507	1.9
156.02654	1.3
157.03496	2.3
157.07198	1.4
159.05025	2.8
161.02969	34.1
167.05594	1.8
169.07077	1.5
171.05106	2.3
173.02998	14.0
173.05112	1.5
173.06619	31.0
177.06126	4.2
185.03041	1.9
185.06589	44.7
187.08110	6.7
189.05475	3.8
191.07614	6.8
197.00560	2.0
197.06676	2.8
199.08073	1.6
200.06203	1.3
201.05980	2.5
203.04022	8.9
203.07640	20.7
205.03595	1.8
209.06682	1.9
215.07657	11.4
219.07225	1.9
221.05046	19.8
223.04509	1.4
227.07603	5.4
233.08745	4.4
247.04465	7.9
257.08737	4.9
259.04517	1.5
265.05624	4.0
275.09760	43.3
276.09982	1.5
277.09567	1.8
293.10831	100.0
294.11087	3.4
295.10980	1.3
307.06540	2.8
309.08423	3.3
316.12680	1.7
349.07672	9.0
363.11234	3.3
365.12997	1.7
367.08759	6.4
373.09692	1.9
391.10907	6.9
409.11905	56.8
409.21042	2.6
410.12042	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	408.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.05511	4.7
57.07072	0.8
65.03944	1.0
66.00925	0.8
67.05515	5.3
68.05041	6.3
69.07076	10.0
70.06602	14.3
71.03564	1.5
74.40361	0.9
79.05517	7.7
80.05009	3.4
81.07067	14.0
81.50191	0.8
82.06591	3.7
83.08608	2.3
87.53320	1.0
91.05480	9.9
93.07051	10.0
94.06529	1.0
95.04987	2.1
95.08621	11.5
96.08144	2.7
97.10242	0.8
100.07626	12.5
103.05473	1.0
105.07038	39.1
107.08593	7.9
108.08130	4.1
109.06568	0.9
109.10155	5.1
114.05547	4.9
114.06196	0.8
115.05438	1.0
116.07150	0.9
117.07026	4.0
119.08591	25.8
120.08120	2.9
121.10136	6.8
122.09686	1.6
123.11709	1.7
126.09151	1.7
128.06238	1.5
128.07083	11.3
129.07050	2.6
130.07748	1.2
131.08582	7.7
133.10149	11.1
134.09651	1.5
135.11699	1.1
142.07793	1.6
142.08696	6.6
143.08578	6.9
144.09343	0.9
145.10130	12.7
146.09668	1.9
147.11685	5.5
148.11244	3.7
154.08647	25.4
155.08606	2.4
156.09355	2.1
157.10149	6.8
158.09642	1.2
159.11676	4.8
160.11261	1.9
161.13310	1.4
164.07140	2.2
167.08624	1.5
168.10304	6.0
169.10123	6.1
171.11682	4.1
172.11153	1.9
173.13280	3.5
174.12788	3.0
175.14827	9.9
178.08653	3.2
180.10313	1.1
181.10150	1.2
182.10829	0.9
183.11743	3.3
185.13303	2.3
188.14435	1.0
189.16493	1.2
192.10233	2.4
194.11800	9.4
197.13269	3.0
201.16428	4.0
203.18004	1.5
209.13280	1.3
211.14844	3.1
216.10466	1.7
217.11037	0.8
218.11836	3.7
219.12535	1.5
220.13449	5.0
223.14900	1.6
232.13274	1.7
234.15140	0.8
237.16388	1.3
260.16449	1.5
267.21045	1.6
286.18097	4.2
293.22604	1.9
301.20438	3.2
302.21356	1.2
315.19391	0.9
316.22742	100.0
317.22934	1.9
408.29059	44.8
409.29083	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	408.257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.2
55.01865	3.7
55.05513	14.9
57.07095	3.0
58.99577	4.2
60.54232	1.7
63.99915	1.4
67.05507	26.2
69.03086	2.6
69.03436	36.0
69.07079	16.8
70.06580	5.8
71.04984	5.1
71.50874	2.3
72.08141	3.9
76.02220	6.9
79.05499	30.4
81.03442	3.0
81.07063	100.0
83.04983	2.9
83.08623	9.3
84.08148	6.6
85.02889	1.8
85.06573	1.8
86.99073	2.3
87.80804	1.5
89.06013	2.1
91.05478	23.7
93.07048	59.7
93.07644	3.3
95.04951	6.2
95.08614	47.3
96.57528	1.7
97.06551	14.1
97.10174	4.9
98.97655	1.6
99.02682	1.6
99.08139	1.7
101.61100	1.6
105.00082	3.1
105.06317	2.1
105.07035	53.4
107.08604	67.9
108.08875	2.1
109.06525	15.3
109.10159	39.2
111.08099	7.2
117.07024	3.9
119.08592	52.7
121.06511	2.2
121.10154	44.7
122.02732	28.2
123.08067	6.6
123.11710	17.0
125.09643	48.8
125.10561	2.4
127.11204	5.6
129.07016	2.7
131.08575	10.5
132.00291	2.4
133.10139	22.9
135.11708	18.9
137.09628	2.5
137.13248	4.7
139.11151	3.6
142.07764	2.6
143.08588	7.5
145.10136	24.3
147.11700	28.4
149.13272	25.3
151.11183	13.4
155.08557	3.6
156.09012	2.6
157.10141	19.8
158.10451	4.6
159.10434	2.7
159.11694	23.6
161.13306	11.1
163.11201	2.4
163.14828	7.9
165.12813	2.3
171.11739	7.6
173.13293	12.9
175.14859	10.8
177.12721	1.8
177.16409	6.4
180.01433	1.9
185.13283	7.2
187.14867	9.3
189.16396	3.8
191.18030	3.0
193.15944	2.1
195.99765	2.7
199.14806	10.3
201.16367	10.2
203.17987	26.6
208.00926	7.2
213.16394	18.0
213.57097	1.8
215.18054	2.2
217.59937	1.6
219.17380	4.2
227.17952	3.9
229.19508	2.1
231.17441	2.4
269.22650	18.7
287.23846	9.5
329.51889	1.8
371.51639	1.7
377.02213	4.4
408.25128	3.9
408.29800	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	408.2134
Annotation	Glu-Ile-Phe
Peak:m/z	Relative Intensity
50.19286	0.6
55.05507	1.7
56.05030	2.3
69.07060	1.5
70.06597	4.1
71.14733	1.1
71.15073	0.8
72.08167	3.0
74.02451	0.8
77.03969	0.6
84.04508	23.8
84.08147	2.4
85.02893	1.0
86.09710	43.9
87.10051	1.2
91.05492	3.8
93.07044	1.3
94.73172	0.5
102.05546	11.0
103.05466	2.9
110.07166	1.1
115.61729	0.6
116.01669	1.9
119.07317	0.9
120.08110	100.0
121.08447	2.6
129.06557	0.6
129.10188	1.0
132.10208	30.6
135.15263	0.6
136.07605	4.9
144.01176	1.0
144.08032	0.8
159.08411	0.7
162.02261	3.3
166.05382	1.2
166.08652	3.4
186.09137	13.4
197.12901	1.9
204.10201	3.7
207.41867	0.7
215.13899	3.1
231.11288	25.1
249.12349	22.2
249.16269	1.4
252.92900	0.6
259.10767	5.6
262.10995	1.4
277.11719	3.8
279.17023	4.2
364.84610	0.7
390.20319	0.9
402.54877	0.7
408.23239	1.4
409.18307	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	408.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	26.0
56.05034	1.1
58.99585	11.8
59.11201	0.6
69.70837	4.2
73.01135	1.3
76.02233	4.8
76.03986	2.6
81.07045	1.0
82.80399	0.7
83.06094	1.6
83.08627	35.7
84.04509	17.7
85.01154	0.9
86.99059	9.0
87.75665	0.6
88.02210	2.4
99.02690	0.9
99.05588	1.3
101.09664	2.1
105.00084	0.9
107.08617	1.2
116.01691	46.6
129.06610	2.0
130.05057	3.8
141.07362	1.1
142.03285	3.3
144.01157	25.6
145.06081	2.0
159.08414	36.5
162.02219	100.0
163.02605	1.2
170.02773	0.8
176.11079	4.6
179.04842	1.2
187.07974	1.0
203.49336	0.8
205.08932	1.6
220.57715	0.8
241.21779	0.8
244.10152	1.6
262.11105	44.3
263.11261	1.5
279.13794	17.2
333.14807	9.5
408.17978	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	408.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	33.7
56.05029	1.5
57.98792	1.2
58.53035	1.0
58.99588	18.2
64.76766	0.9
69.77170	4.2
73.01141	1.6
76.02235	7.7
76.04008	3.3
83.06086	2.4
83.08626	39.8
84.04508	21.3
86.99062	12.5
88.02222	4.2
99.05573	1.5
101.09664	2.6
115.05772	1.1
116.01688	58.9
129.06541	4.5
129.07439	1.4
130.05000	4.4
141.07304	1.4
142.03223	3.5
142.44763	0.9
144.01144	26.0
145.06085	1.7
159.08408	32.8
162.02214	100.0
176.11104	3.5
189.43588	1.0
205.08960	1.2
244.10080	1.4
245.06052	1.8
262.11108	53.9
272.03204	1.0
279.13791	14.3
291.46146	0.9
333.14792	18.2
371.92749	1.0
390.16669	1.8
408.18143	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	407.2795
Annotation	3-Oxocholic acid
Peak:m/z	Relative Intensity
53.03942	10.0
55.01872	5.8
55.05516	29.3
57.03436	5.7
57.07074	12.7
62.83429	2.0
65.03943	2.1
67.05511	73.8
69.03425	21.0
69.07072	38.4
71.01346	3.9
71.05000	5.5
71.08623	8.1
71.28260	3.1
73.02917	1.9
79.05068	3.6
79.05499	49.3
81.03423	23.8
81.07064	100.0
82.07385	2.2
83.04980	10.3
83.08623	19.4
85.02901	9.1
85.06547	3.5
87.04467	2.3
89.06034	7.5
91.05488	41.5
93.07052	63.5
95.04974	14.2
95.08614	71.6
97.02889	8.9
97.06533	5.9
97.10170	10.0
99.04456	5.0
99.08109	3.9
103.05499	2.8
105.07037	51.6
105.07700	3.8
107.04955	8.5
107.08611	41.9
109.02891	4.8
109.06541	6.6
109.10168	34.4
111.04464	9.4
111.08078	2.6
111.11761	3.5
113.00022	13.0
113.02400	2.6
117.07011	19.1
119.08594	42.9
121.06534	5.6
121.10154	33.5
122.11300	1.6
123.04448	5.4
123.08026	3.6
123.11722	15.6
125.06113	2.1
125.09561	4.6
127.03951	4.2
128.06226	3.6
129.05498	2.5
129.07014	8.2
131.08563	27.3
133.06506	4.8
133.08578	2.4
133.10135	23.4
135.08058	3.5
135.11700	16.0
137.09619	2.9
137.13269	7.8
139.03894	3.2
141.07027	3.0
142.07802	3.3
143.08562	10.2
145.06483	5.7
145.10143	21.8
147.08020	4.0
147.11693	18.9
149.09653	4.9
149.13266	14.9
150.70987	2.2
151.11191	3.7
153.12727	2.1
155.08572	6.2
157.10170	11.3
159.08090	5.4
159.11673	15.5
161.09631	4.3
161.13275	16.6
161.18164	1.8
163.07553	2.3
163.11180	3.3
163.14830	10.8
165.12787	4.8
169.02631	13.0
169.10165	4.8
171.11760	8.8
173.13298	13.3
175.14857	10.0
177.12759	4.8
177.16386	8.7
179.14313	3.0
183.11678	3.9
185.09636	2.7
185.13283	5.9
187.14799	9.7
189.16447	6.2
191.18008	3.1
193.12350	2.2
195.12093	2.3
195.13843	2.6
197.13307	2.3
199.14841	5.5
201.16429	7.2
203.18047	3.3
203.63275	2.0
205.15938	3.1
207.13875	3.5
211.14792	3.4
213.16417	4.3
215.17949	4.3
223.13177	3.0
229.19586	2.6
241.19440	3.4
243.21198	3.7
245.22588	2.6
255.21129	2.3
257.22745	5.7
259.16858	2.7
259.24255	2.1
269.22662	4.3
273.18433	2.2
275.23691	9.6
283.24173	2.0
291.23218	6.8
299.23730	2.8
301.25842	2.0
303.23178	10.5
305.24799	3.4
317.24759	5.9
321.24277	3.8
325.25067	2.1
329.24811	3.3
333.24210	4.5
343.26532	4.4
347.25778	5.3
353.24615	11.0
361.27338	3.6
371.25848	34.0
389.26865	31.9
407.28122	29.5
407.36740	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2794
Annotation	3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate
Peak:m/z	Relative Intensity
52.31776	2.7
53.03933	4.9
55.01863	10.1
55.05512	33.4
57.03424	6.6
57.07065	13.0
65.03920	4.4
67.05503	81.9
69.03425	27.5
69.06725	4.0
69.07069	46.7
69.91584	12.2
71.04989	6.5
71.08622	11.2
73.02919	3.0
75.72145	2.9
77.03930	2.8
79.05019	2.7
79.05486	52.6
81.03421	35.8
81.06593	5.6
81.07056	100.0
83.04970	12.1
83.08608	22.0
85.02894	7.3
85.06538	4.9
85.10176	3.7
87.04483	3.4
89.06028	8.2
91.05481	46.5
93.06486	4.3
93.07043	66.7
95.04964	17.1
95.08602	74.8
97.02880	9.5
97.06526	9.8
97.10155	9.8
98.20808	2.7
99.04428	6.2
105.07021	57.0
107.04939	9.5
107.08587	45.6
109.02876	8.7
109.06512	12.3
109.10147	30.0
111.04412	8.1
111.08124	6.5
111.11739	3.3
113.00003	9.8
117.07008	23.6
119.08573	45.0
121.06499	12.5
121.10129	32.6
123.04436	5.5
123.08060	8.2
123.11714	14.8
125.09608	3.7
127.03896	2.8
128.06238	3.8
129.05504	4.3
129.06989	14.4
131.08569	37.0
133.06485	7.6
133.10132	25.8
135.08055	6.3
135.11697	19.3
137.13200	8.7
139.11201	3.5
142.07790	3.6
143.08545	12.5
145.06470	3.9
145.10107	27.7
147.08008	7.8
147.11687	21.1
149.09627	8.6
149.13269	12.9
151.11163	3.3
151.14908	3.3
155.08508	4.8
157.10124	12.7
159.08073	3.5
159.11705	15.3
161.09637	7.7
161.13243	18.3
163.07608	3.0
163.11147	3.9
163.14825	12.4
167.08562	3.6
169.02606	7.9
169.10097	6.6
171.08009	3.7
171.11681	11.5
173.09644	3.6
173.13275	15.5
175.11198	3.9
175.14804	13.0
177.12779	5.9
177.16481	6.0
183.11743	3.3
185.09631	3.8
185.13184	8.2
187.11023	3.9
187.14828	10.2
189.16432	8.4
191.14320	6.8
191.17984	3.6
195.11766	4.5
197.13289	5.9
199.14818	5.6
201.16379	5.8
202.83847	2.7
203.14320	4.1
203.18005	3.9
205.15858	4.4
211.14764	2.9
213.16502	4.9
215.14384	3.9
215.17999	3.3
217.15758	4.6
228.29013	2.7
231.21141	3.3
243.17325	3.0
245.22829	2.6
257.22653	5.1
261.22134	5.5
267.21320	3.0
269.22757	3.3
275.23688	9.4
285.22028	3.5
287.23691	7.6
291.23190	6.7
293.24789	4.2
293.96909	2.8
296.57346	2.8
303.23135	7.1
305.24744	6.5
317.24707	10.8
319.22690	3.2
319.26410	3.5
321.24200	7.5
329.24902	7.2
343.26227	9.5
345.24185	3.8
347.26120	6.6
353.24823	15.8
361.27264	4.2
371.25699	33.1
372.26123	3.9
389.26819	37.9
407.27924	50.8
407.36542	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	407.2293
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
52.93802	0.9
55.05511	2.3
56.05033	3.8
58.06599	1.3
67.05506	1.8
67.15816	0.9
69.07079	10.1
70.06596	14.6
71.50256	1.4
72.04538	1.0
72.08153	9.0
76.02225	1.8
81.06991	1.0
83.06107	36.2
84.04511	49.0
84.08150	11.0
85.02905	1.3
85.75761	1.0
86.06078	1.3
86.09712	100.0
87.10047	1.9
91.05482	2.5
93.07027	2.2
95.08613	1.2
96.04543	1.3
97.02903	1.1
97.06525	3.2
98.06060	1.0
101.07148	9.9
103.05470	2.5
104.77338	0.9
109.10206	1.2
113.07121	1.5
116.07079	1.1
119.04944	1.3
120.08115	84.1
121.08427	1.0
124.11230	1.3
129.06618	26.0
129.10243	5.1
131.04904	1.8
131.08545	1.4
131.11829	3.9
132.10216	3.4
136.07603	2.4
139.07512	1.3
141.06685	1.5
142.54570	0.9
143.11830	3.6
147.04424	4.0
149.05946	0.9
152.10725	4.5
154.38715	1.1
157.13406	2.0
162.02283	1.6
166.08652	62.7
169.13322	6.3
171.11308	16.9
177.10223	2.8
185.12917	2.5
186.09169	1.7
196.14470	31.5
197.12866	26.6
197.14505	0.8
211.13339	1.1
213.10155	1.1
214.15518	20.6
215.07031	3.7
223.10834	2.3
224.13924	11.0
225.12381	4.5
230.12878	2.3
231.11365	3.1
237.12311	9.2
242.15015	17.4
276.13495	1.1
279.16946	1.8
294.14603	2.6
315.09897	1.5
372.23746	1.0
375.11893	3.3
389.13507	2.7
389.21814	18.0
407.22882	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	406.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.0
55.14269	1.9
56.70172	2.0
66.02827	2.3
67.05521	2.6
69.03431	6.1
69.07069	5.2
70.02958	2.5
70.06594	16.7
71.21700	4.5
72.08146	9.0
76.02264	2.0
79.05506	3.4
81.03402	2.3
81.07037	4.4
83.08585	2.8
84.04509	4.2
84.08146	14.4
85.02905	9.1
86.09715	13.2
88.03999	2.1
91.05469	3.1
93.07034	6.3
95.06094	2.9
95.08599	6.1
97.02885	2.3
99.08096	10.3
105.07016	5.7
107.08585	9.5
109.06493	2.4
109.10129	2.3
119.08603	2.8
120.08093	4.7
121.10136	16.2
125.06044	2.5
125.09652	3.0
129.10257	3.4
133.10124	8.1
135.08076	4.2
135.11777	2.7
137.09576	5.1
145.10123	2.9
147.11699	3.2
148.53780	2.0
149.09633	97.3
149.13281	4.6
151.11186	16.2
153.09071	2.8
163.14781	3.6
165.12787	13.4
173.13280	6.2
191.14290	23.1
209.15375	100.0
231.17343	3.0
255.39264	2.4
270.90460	2.3
406.23016	2.8
407.22562	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	406.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	5.4
59.87253	4.2
60.04547	5.2
67.05482	7.7
69.07044	6.5
69.48260	4.6
69.53747	12.7
69.54176	18.9
70.06587	31.4
71.04987	23.6
72.08155	24.5
79.05495	4.6
81.07034	11.8
83.04964	7.8
84.04516	5.0
84.08152	22.1
85.02897	11.8
85.06566	6.6
86.09715	27.5
87.58529	3.8
91.05485	8.4
93.07051	36.7
95.04948	12.6
97.02887	4.5
97.06528	6.2
98.20764	7.9
99.04456	81.5
105.07027	12.4
107.08589	7.7
111.06662	4.6
111.08090	20.1
119.08514	5.1
120.08113	6.8
129.10158	6.3
131.08493	6.5
133.10115	42.2
136.07512	4.5
139.11211	4.7
147.11633	5.6
149.09644	4.6
151.11189	11.1
153.09116	100.0
173.13278	14.0
188.07114	6.7
191.14333	13.6
209.15359	23.4
209.95740	4.2
216.07477	4.3
236.60719	4.3
239.80659	3.8
245.01817	4.0
258.10791	4.8
269.47977	4.8
390.55054	4.8
407.23428	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	406.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.6
56.05020	2.9
57.03448	3.0
67.05480	10.8
69.03407	4.0
69.07050	3.6
69.67400	20.1
70.06591	28.2
71.04992	9.2
72.08163	18.5
79.05476	9.5
81.07037	6.2
83.05000	6.3
84.04500	6.9
84.08131	12.8
85.02895	18.6
85.06551	70.4
86.09709	18.3
90.05554	5.7
91.05467	10.1
93.07034	8.8
95.04942	3.5
105.07040	8.9
107.04952	4.7
107.08582	14.7
109.94255	3.1
110.07149	7.6
111.04426	6.2
119.08578	8.4
120.08100	7.6
121.06505	4.1
121.10160	11.5
125.82981	3.0
129.06967	3.1
129.10254	5.8
131.08578	40.9
135.64310	3.3
136.07574	6.2
145.04950	4.2
145.10167	18.7
149.06009	3.2
149.09641	37.0
153.05472	4.2
163.11189	13.1
164.66011	2.7
165.09091	5.2
167.10683	17.4
189.58231	2.9
191.10666	49.9
209.11737	60.7
209.15215	5.2
227.12798	100.0
247.10632	3.3
310.66046	3.2
313.15753	3.7
316.38495	3.6
406.26376	4.1
407.12970	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	406.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.1
55.05509	23.4
57.03426	7.9
59.07833	5.3
61.02930	6.9
67.05505	21.9
69.03452	12.0
69.07063	19.2
70.06606	40.8
71.04990	19.4
71.50331	7.9
72.08148	31.1
73.02899	8.7
79.05093	6.0
79.05486	38.2
81.03418	10.0
81.07056	48.5
83.04996	13.6
83.08615	10.4
84.04513	7.0
84.08165	29.7
85.02894	32.0
85.06532	7.3
86.09714	22.1
89.06034	6.6
91.05470	21.2
93.07037	36.0
95.04971	17.7
95.08601	42.9
97.02882	14.5
97.06519	17.8
98.06048	5.4
99.04457	71.8
101.06020	18.5
105.07037	34.7
105.82272	5.3
107.08600	100.0
109.02867	5.9
109.06528	16.1
109.10146	18.1
110.07182	7.4
111.32629	5.7
113.06012	9.3
115.08681	5.1
119.08595	24.8
120.08142	9.1
121.06522	8.4
121.10145	47.0
127.03913	8.7
129.10226	11.4
131.08594	14.1
132.27351	5.0
133.10127	22.6
135.08063	12.2
135.11699	12.4
145.10175	10.6
147.11716	11.2
149.09621	7.7
149.13312	8.7
151.11186	6.7
161.13239	28.9
163.03926	10.6
163.14864	16.5
165.12721	14.4
173.13292	20.0
179.14297	82.3
191.14301	53.3
197.13718	5.9
197.15407	34.0
209.15376	75.9
215.07068	12.7
215.62032	5.4
227.16376	9.8
259.09576	6.1
261.38138	6.1
268.32089	4.9
347.02722	16.2
375.02356	27.6
407.22781	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	406.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	6.8
56.05032	7.2
57.03440	2.7
58.99604	3.2
65.31566	2.8
67.05514	13.4
69.03442	5.8
69.07067	7.6
70.06598	46.2
71.05000	10.9
71.31641	3.8
71.31976	3.3
72.08163	43.8
74.06091	3.5
76.02222	8.0
79.05502	12.9
81.03434	4.4
81.07069	10.4
83.04980	4.7
84.04517	25.2
84.08150	36.9
85.02926	14.6
85.06553	65.8
85.08523	3.0
86.06076	3.2
86.09712	50.4
89.10786	5.7
90.99199	3.3
91.05493	17.2
92.91599	2.7
93.07056	11.4
95.04964	3.5
97.02907	7.1
97.06584	4.3
98.06065	4.9
99.08112	3.4
102.05518	4.5
105.07058	11.6
107.04967	8.5
107.08628	13.5
109.02885	3.2
109.06506	3.9
110.07199	5.2
111.04459	7.1
112.63702	2.9
116.01700	6.8
119.04925	4.5
119.08602	10.8
120.08124	12.5
121.06506	8.0
121.10153	13.2
123.04441	4.2
125.05991	3.1
129.06987	4.0
129.10275	14.4
130.05034	4.8
131.04919	4.1
131.08586	46.3
132.10231	12.4
135.11739	5.3
136.07611	23.4
137.09669	3.2
145.10135	23.9
147.04422	5.3
147.08002	5.2
149.09634	38.6
153.06590	5.2
155.08548	3.2
156.08455	3.1
157.06766	3.2
160.02151	3.5
162.02260	7.8
163.07619	3.6
163.11198	12.2
165.09093	10.0
167.10664	20.5
168.41826	3.4
173.09721	3.9
174.09525	6.4
179.04929	5.2
184.04036	4.1
185.04869	3.8
188.01671	28.3
189.02573	5.0
190.03238	6.2
191.10684	50.0
202.08736	7.1
209.11774	58.0
216.01146	46.7
218.02765	7.8
227.10559	4.9
227.12802	100.0
230.02795	3.3
244.00719	4.7
247.10872	3.6
259.11124	25.7
262.01709	8.6
273.03284	16.3
293.06003	4.3
319.03827	50.8
390.11493	7.1
406.16611	4.7
407.13910	32.1
407.18817	6.5
407.26715	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	405.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	0.4
55.05523	2.4
55.61075	0.3
57.07080	37.3
65.96645	0.3
67.05505	1.0
69.07082	3.3
69.23317	2.5
69.23721	0.7
71.08637	28.5
73.06562	3.4
79.05505	0.6
81.07064	1.3
83.08640	3.1
85.10191	18.2
87.04472	1.6
87.14459	0.3
89.06038	100.0
90.06393	0.5
91.05481	0.8
91.07606	0.4
93.07063	0.9
95.08607	0.6
97.10178	3.2
99.11732	2.1
105.07030	1.0
107.07074	6.4
107.08641	0.6
109.10153	0.6
111.11739	1.9
113.13290	0.9
117.06979	0.4
117.09136	0.9
119.08598	0.5
121.10154	0.5
125.13281	0.5
127.14858	0.6
130.08649	2.0
131.08546	0.5
133.08614	30.8
135.10109	0.3
139.04256	0.6
145.10153	0.7
151.09679	4.7
151.13434	0.4
155.17979	0.6
164.42610	0.3
177.11226	6.6
185.62352	0.3
195.12289	19.7
211.24356	0.4
375.15945	0.7
387.25311	0.6
389.17972	0.5
390.18649	0.9
405.17502	0.6
405.21289	4.0
405.26193	0.9
405.35748	2.9
406.21463	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
55.05505	6.4
57.03422	1.5
57.07067	1.3
67.05510	17.7
69.07078	7.0
69.50919	6.8
79.05487	11.5
81.07059	17.9
83.04977	1.8
83.08609	3.6
85.06592	1.6
91.05498	10.7
91.06034	1.6
93.07050	14.6
95.04948	1.3
95.08611	19.9
97.06541	12.0
97.10152	1.3
99.08062	1.2
105.06394	1.7
105.07035	18.4
107.08600	25.9
108.08818	0.9
109.06524	5.8
109.10162	27.9
111.04450	2.9
111.08089	8.9
114.06142	1.1
115.05457	1.9
117.07015	5.0
119.08580	10.6
121.06556	1.6
121.10143	12.2
123.08056	3.9
123.11696	6.1
125.06000	13.2
125.09596	6.2
127.07557	2.4
128.06241	5.0
129.07008	13.1
131.08578	17.7
133.10127	8.2
135.08011	2.3
135.11703	14.1
137.09625	7.0
137.13231	2.1
139.07545	3.9
139.11182	1.6
141.06992	7.0
142.07799	16.8
143.08560	19.6
144.09344	2.4
145.10115	15.3
147.11667	3.7
149.09644	1.6
149.13234	6.8
151.07544	1.4
151.11183	3.3
151.22101	1.1
153.06996	9.7
153.09050	5.5
154.07751	4.2
155.08565	76.2
155.10468	9.5
156.09247	2.3
157.10127	63.8
159.11702	15.9
161.13206	2.9
163.11171	2.2
163.14839	2.0
165.07019	7.3
166.07809	3.2
167.08563	11.6
168.09384	5.4
169.10129	17.1
170.10658	1.0
171.11679	14.0
173.13301	6.0
176.51140	1.2
177.12785	1.4
178.07802	1.5
179.08556	10.6
180.09338	6.5
181.10109	24.2
181.11670	1.9
182.10945	5.2
183.11703	44.2
185.13269	6.7
187.14790	1.6
189.12793	2.0
191.08600	1.3
191.14275	1.8
192.09404	1.4
193.10167	6.5
193.11766	1.2
194.10916	7.6
195.11713	33.7
195.13544	1.3
196.12509	3.7
197.13272	41.7
198.14003	2.8
199.14841	5.1
205.10237	2.8
205.15997	1.4
206.10890	2.1
207.11703	13.7
208.12436	4.0
209.13258	63.4
210.13866	1.4
211.14803	12.6
213.16406	1.6
219.11732	2.4
221.13281	8.7
222.14003	3.5
223.14810	38.0
224.15285	1.7
225.16394	5.1
229.15805	1.3
233.13223	2.4
235.14821	16.5
236.15727	1.6
237.16389	21.4
237.18665	1.6
247.14897	5.1
249.16455	12.6
250.17171	15.3
251.17957	44.7
252.18706	2.1
253.19496	4.7
262.17346	1.4
263.17966	7.4
265.19443	2.8
275.17993	2.4
277.19528	14.3
279.21008	3.1
281.22638	0.9
289.19598	2.9
291.21045	10.7
292.21808	5.1
293.19223	1.2
293.22638	1.5
303.21014	1.0
359.27438	3.8
369.25818	4.0
377.24695	1.1
387.26779	11.7
405.27887	100.0
406.28265	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	405.2637
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
53.03947	11.9
55.01863	8.4
55.05528	28.6
56.46310	5.7
57.03436	7.9
57.07085	7.9
60.17342	6.6
67.05513	95.7
69.03440	26.8
69.07081	37.8
70.97414	16.3
75.69012	5.2
79.05499	54.0
81.03415	32.7
81.07059	90.1
81.13300	6.8
83.04990	12.2
83.08628	13.6
83.10075	5.5
85.02920	11.6
91.05488	69.3
93.07056	72.8
93.79436	7.1
95.05006	18.0
95.08624	61.0
97.02904	10.8
97.06573	11.0
97.10191	12.2
99.04502	15.4
105.07041	74.7
107.04978	17.2
107.08606	40.5
107.17027	5.7
109.06578	10.9
109.10183	21.8
111.04457	11.8
115.05465	9.4
117.05483	5.9
117.07017	40.6
119.08602	67.4
121.06493	13.0
121.10175	31.3
123.04452	7.1
123.11707	14.4
127.03889	6.1
129.05559	7.4
129.07037	26.0
131.06793	6.7
131.08594	40.0
133.10138	38.6
135.08066	7.8
135.11711	25.3
141.07004	8.3
143.08595	21.2
145.06531	6.4
145.10176	41.5
147.08081	11.9
147.11676	37.1
149.09674	6.0
149.13329	13.9
151.07661	6.2
155.08643	13.6
157.10153	21.1
159.08054	11.0
159.11769	35.6
161.13281	17.1
163.11293	8.3
169.10156	14.9
171.08061	9.1
171.11716	22.9
173.09695	7.2
173.13303	21.9
175.11221	16.1
175.14809	9.1
181.10208	8.3
183.11772	13.8
185.13239	15.0
187.11250	9.5
187.14825	9.9
199.14786	9.8
225.12779	6.6
249.18668	6.0
259.20569	8.6
261.22250	7.1
271.20663	9.0
273.22189	17.2
277.21729	8.4
285.22150	10.6
289.21579	9.6
301.21475	7.9
315.23254	19.0
317.24771	5.7
319.22733	11.3
327.23117	12.4
331.22717	13.1
341.24701	7.1
345.24319	10.8
351.23242	23.5
369.24231	59.6
387.25244	60.8
405.26340	100.0
406.26657	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	405.2638
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
51.02361	3.3
53.03937	12.3
55.01880	15.0
55.05516	30.4
56.18891	3.0
57.03428	8.5
57.07058	5.6
62.45499	3.5
67.05186	4.5
67.05509	61.3
69.03437	31.3
69.07072	23.8
71.01311	4.1
71.15961	6.1
79.05496	51.7
81.03425	27.0
81.07063	59.3
83.05006	15.6
83.08611	9.8
85.02898	10.5
85.06542	5.7
91.05489	66.6
93.07049	61.5
95.04951	14.5
95.08607	64.8
97.02884	12.1
97.06506	7.4
97.10159	4.3
101.80145	3.3
103.05459	4.4
105.07034	64.9
107.04983	7.7
107.08596	43.2
109.02856	8.2
109.06502	7.8
109.10175	25.1
111.04435	14.7
111.08079	4.7
115.05481	7.0
116.96687	3.3
117.07019	30.7
119.08586	53.5
121.06493	7.6
121.10144	35.6
123.04427	6.0
123.08056	11.2
123.11722	8.3
127.03899	7.0
128.06232	7.1
129.05525	4.4
129.07021	24.1
130.07724	3.6
131.08580	52.0
133.06499	9.7
133.10141	37.4
135.08029	9.0
135.11707	20.1
137.06061	3.3
137.09581	4.3
137.13261	3.4
141.06938	4.7
142.07739	4.0
143.08604	32.9
145.06485	6.9
145.10139	40.0
146.81920	2.9
147.08035	9.9
147.11700	30.6
149.06062	3.6
149.09613	10.9
149.13243	13.5
155.08546	11.7
156.09317	3.5
157.06520	3.1
157.10124	22.0
159.08060	9.3
159.11717	33.5
161.09631	10.1
161.13264	14.7
163.66283	3.0
167.08572	4.6
169.10120	9.8
171.08073	4.8
171.11699	22.1
173.09676	7.1
173.13255	27.1
175.11125	5.3
175.14827	7.2
181.10170	4.2
183.11673	11.4
184.94821	3.2
185.09715	3.7
185.13277	9.5
187.11217	6.9
187.14813	8.4
189.12720	3.9
189.16267	3.4
193.41441	3.1
195.11743	7.5
197.13226	7.6
199.11169	5.7
199.14760	8.5
201.12697	5.8
209.13295	4.2
211.11292	3.6
211.14772	5.3
213.12781	4.9
213.16451	3.4
225.16249	4.3
236.92441	3.2
261.22253	5.0
271.20416	4.7
273.22141	6.8
277.21677	7.0
285.22089	6.7
287.20297	3.6
289.21664	5.7
291.23105	6.4
297.22003	3.6
301.21585	6.1
303.23294	7.6
309.22034	3.0
313.21802	3.8
315.23254	14.4
317.24606	4.7
319.22678	11.4
323.23816	4.8
327.23117	8.4
331.22906	5.5
333.22012	3.4
341.24756	14.1
345.24219	11.7
351.23083	12.4
359.25647	5.9
369.24380	42.6
387.25336	57.4
405.26328	100.0
406.26611	3.6
415.63925	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	405.2638
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
53.03950	11.8
55.01866	13.9
55.05315	3.6
55.05521	39.1
55.44989	3.7
56.59288	3.6
57.03424	9.8
57.07072	6.9
63.11153	4.4
65.03942	4.4
67.05507	73.5
69.03432	37.2
69.07078	32.7
69.70240	17.6
71.01335	6.0
71.04974	6.3
75.45654	4.6
79.05489	62.8
81.02298	4.0
81.03426	31.7
81.07063	96.6
83.05000	10.7
83.08601	15.6
85.02903	12.7
87.04449	4.0
91.05477	63.7
93.07053	55.7
95.04951	11.7
95.08617	61.8
97.02892	10.0
97.06522	11.7
97.10175	9.5
98.21441	6.3
99.04447	8.0
105.07037	64.6
105.59879	4.6
107.04971	12.5
107.08602	39.1
109.02863	4.1
109.06511	11.5
109.10173	26.9
111.04441	15.1
111.07982	6.4
114.50126	4.2
115.03951	4.3
117.07016	38.7
119.08584	57.9
121.06499	9.0
121.10172	31.4
123.04458	4.6
123.08076	6.3
123.11697	4.5
129.07004	19.5
131.08574	44.8
133.06496	15.4
133.10126	39.4
135.08029	9.5
135.11713	23.7
141.06943	9.8
142.07805	5.3
143.08551	35.0
145.06496	11.2
145.10138	38.2
147.08035	14.2
147.11658	32.3
149.09659	9.3
149.13261	12.1
151.07491	4.4
155.08517	11.8
157.10112	23.9
159.08098	7.5
159.11691	34.3
161.09608	9.2
161.13277	17.3
167.08585	8.0
169.10101	9.6
171.08089	5.4
171.11699	17.9
173.09612	6.2
173.13316	21.2
175.11198	10.1
175.14810	6.7
177.97304	4.7
181.10127	8.1
183.11656	15.1
185.13248	16.2
195.11826	6.4
197.13301	10.7
199.14880	6.0
201.16406	5.6
209.13275	8.3
213.12773	4.7
213.16434	6.7
227.17657	4.3
259.20673	7.4
271.20874	4.9
273.22223	7.7
277.21735	5.1
285.22095	8.2
289.21625	9.2
301.21469	7.3
303.23047	9.9
313.21646	6.9
315.23178	13.4
319.22650	11.5
323.23611	5.5
327.23251	11.2
341.24728	17.2
343.22726	5.1
345.24152	9.8
351.23160	14.2
357.24051	4.5
369.24222	49.5
387.25363	58.2
405.26379	100.0
417.95535	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	405.264
Annotation	7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
Peak:m/z	Relative Intensity
53.03940	9.7
55.01862	10.5
55.05518	25.9
57.03431	11.6
57.07066	7.1
58.93917	2.9
62.92643	2.6
65.03934	6.6
67.05507	65.8
67.85601	2.8
69.03437	23.7
69.07077	30.8
69.33321	20.9
71.04966	7.5
73.02900	3.0
75.62451	2.4
79.05496	60.9
81.03429	32.9
81.07064	82.8
83.04979	17.4
83.08627	11.4
85.02901	8.7
85.06557	5.6
91.05489	67.3
93.06483	4.9
93.07045	69.2
94.51521	2.5
95.04977	13.7
95.08613	52.9
97.02883	12.3
97.06525	9.8
97.10183	7.0
99.04456	5.3
99.08102	3.0
103.05492	3.8
105.07036	73.6
107.04974	9.1
107.08605	40.2
109.02886	6.1
109.06519	10.7
109.10147	25.3
111.04450	13.9
111.08065	3.1
111.20047	3.0
115.05448	6.0
117.07021	31.9
119.08585	56.7
121.06547	6.9
121.10148	28.4
123.04425	3.1
123.08089	6.7
123.11729	6.8
125.09660	3.2
127.03956	3.8
128.06238	7.9
129.05489	4.8
129.07021	22.9
130.07771	2.9
131.08577	48.5
133.06474	13.1
133.10136	31.5
135.08037	8.9
135.11699	20.8
137.05995	4.3
137.09612	5.3
139.07503	3.0
139.11203	5.4
141.06999	7.5
142.07744	4.6
143.08554	22.6
144.09326	2.9
145.06532	4.7
145.10138	46.5
147.08025	12.6
147.11696	29.5
149.09604	5.2
149.13290	9.8
151.11198	3.4
155.08557	9.1
157.10149	23.6
159.08038	8.4
159.11728	31.0
160.08926	2.7
161.09644	7.8
161.13286	17.0
163.11192	4.3
163.14792	6.3
165.09206	4.0
167.08597	5.8
169.10141	9.0
171.08067	5.7
171.11723	15.8
173.09628	5.0
173.13284	21.0
175.11256	6.1
175.14845	6.8
177.12808	4.4
179.08598	3.4
181.10146	4.9
183.08054	4.5
183.11693	8.1
184.07248	2.8
185.09612	5.2
185.13239	16.9
187.11229	6.6
187.14824	9.1
189.12720	6.7
195.00804	3.0
195.11682	6.4
197.09702	4.3
197.13318	8.6
197.74620	2.5
199.14822	9.5
201.12787	4.1
201.16519	2.8
203.14389	4.3
205.15735	2.7
205.71005	3.1
207.11832	2.8
209.13287	3.3
211.14853	4.8
213.12715	5.3
213.16374	3.0
215.14250	4.2
223.14819	6.2
226.09679	2.9
227.14421	4.8
239.14424	3.5
241.19440	3.0
243.13840	3.5
259.20590	6.5
261.21893	3.1
271.20520	4.7
273.22147	8.1
277.21625	6.3
283.20724	3.2
285.22031	5.4
289.21695	10.3
291.23425	4.7
297.22110	4.1
301.21515	13.1
303.23151	12.5
313.21609	5.6
315.23248	13.0
319.22696	8.0
323.23721	4.4
327.23325	10.6
331.22598	6.6
341.24652	12.2
345.24225	11.3
351.23181	10.2
357.24139	3.1
359.25659	3.4
369.24255	49.4
387.25381	43.1
388.26501	2.8
405.26349	100.0
406.26556	3.5
426.13113	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	405.2641
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
52.37560	3.5
53.03944	12.2
55.01859	16.7
55.05517	39.0
57.03432	7.9
57.07055	6.4
67.05176	7.2
67.05512	84.4
69.03136	4.6
69.03436	48.0
69.07079	35.5
69.42392	29.5
71.04990	10.4
72.01144	4.4
75.80706	4.5
79.05080	6.0
79.05504	72.2
81.03429	34.8
81.07063	100.0
83.04987	18.0
83.08626	14.6
85.02913	14.0
85.75494	5.0
91.05491	85.5
93.07053	82.2
95.04992	21.1
95.08615	65.8
97.02884	14.6
97.06557	10.1
97.10191	7.0
99.04452	8.8
103.59939	3.6
103.60662	3.9
105.07040	89.2
107.04969	8.0
107.08605	46.7
109.02842	7.0
109.06518	18.0
109.10159	33.9
111.04434	14.5
111.08057	6.0
115.05476	5.9
117.07047	46.8
119.08593	69.2
121.06501	9.4
121.10157	40.6
123.04485	6.1
123.08079	10.0
123.11700	7.7
125.09657	5.2
127.03944	6.4
127.99732	4.0
128.06244	9.2
129.05475	6.1
129.07002	32.7
131.08606	60.2
133.06471	10.4
133.10136	37.0
134.19104	4.2
135.08066	9.0
135.11684	25.7
141.07014	11.2
142.07811	6.6
143.08612	26.3
145.06514	10.8
145.10138	41.9
147.08072	15.5
147.11720	32.6
149.09665	9.3
149.13274	14.0
154.07677	6.1
155.08531	14.2
157.10100	23.2
159.08055	11.6
159.11737	40.3
161.13277	18.5
165.12764	4.2
167.08598	6.5
169.10135	13.5
171.07974	8.3
171.11678	19.9
173.09732	4.9
173.13226	25.2
175.11249	8.2
175.14897	6.0
177.09154	4.6
179.14384	4.7
181.10153	9.7
183.11719	12.7
185.09566	8.8
185.13240	16.5
187.11182	7.7
187.14812	11.6
189.12741	13.1
195.11691	6.5
197.09717	5.3
197.13274	9.6
199.14835	9.2
201.12729	8.8
209.13359	6.6
215.14383	5.0
227.14301	4.9
259.20798	10.8
261.22229	6.7
271.20621	5.8
273.22180	13.7
275.20203	5.7
277.21704	6.3
283.20755	5.0
285.22302	5.2
289.21548	8.7
291.23138	5.2
301.21606	13.4
303.23175	9.1
315.23190	14.5
319.22827	11.9
327.23218	16.1
331.22736	9.1
341.24731	17.3
345.24344	12.5
351.23160	16.1
359.25531	6.3
369.24350	54.0
387.25360	62.1
405.26413	93.7
406.26688	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	405.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01882	6.1
55.05515	15.4
57.03434	7.8
57.07070	4.2
67.05510	16.5
69.03445	5.0
69.07072	15.2
69.85243	4.1
69.85661	1.4
71.04989	1.0
71.08637	2.8
71.09033	0.8
73.31481	0.9
79.05502	12.9
81.03414	4.0
81.06655	1.4
81.07071	16.2
83.04980	2.4
83.08626	12.4
85.02900	2.4
85.10166	0.9
91.05481	9.8
92.69672	1.1
93.07050	14.5
95.04986	1.4
95.08621	12.5
97.02916	1.3
97.06507	2.4
97.10180	6.4
98.20898	1.5
105.07030	10.4
107.04961	2.0
107.08611	9.1
109.02884	1.4
109.06499	2.0
109.10184	6.1
111.04449	1.5
111.08060	1.8
111.11716	1.9
113.00028	100.0
117.07025	5.5
119.08573	7.3
121.06515	1.9
121.10137	8.3
123.11694	2.4
126.78813	0.9
127.03887	1.0
129.07037	3.0
131.08591	7.3
133.06502	0.9
133.10114	6.4
135.08145	1.5
135.11731	5.9
140.59657	1.0
143.08556	3.5
145.06483	1.3
145.10123	4.6
147.08047	1.8
147.11685	3.5
149.09666	1.1
149.13254	2.1
155.08565	2.0
157.10120	2.9
159.08095	1.0
159.11734	3.9
161.13235	1.7
163.14722	1.3
169.02626	87.8
169.10089	2.2
171.11714	3.0
173.13300	3.7
183.08086	0.9
183.11739	1.8
185.13301	2.1
187.14876	1.8
197.13196	1.6
219.21141	1.5
237.22141	7.0
273.22159	1.2
301.21729	1.0
315.23285	1.4
319.22711	1.3
341.24826	1.6
345.24304	1.9
351.23190	1.6
369.24176	6.0
387.25348	8.2
405.26285	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	2.1
56.96573	8.4
58.06600	2.2
60.04514	4.6
67.44594	1.6
69.07060	2.6
69.64157	1.4
70.06593	13.3
70.98111	5.0
71.49063	2.7
71.83336	1.6
72.08158	16.0
73.06538	6.7
74.06084	7.3
78.26466	1.4
81.03403	2.1
84.04517	10.6
84.08157	17.6
85.02906	2.8
86.09712	70.2
88.03954	2.1
88.99139	2.0
95.06113	1.5
98.97588	30.1
99.02899	1.5
101.00874	10.5
102.05540	4.1
106.05074	2.5
109.02893	2.2
110.07135	2.7
112.08741	1.6
112.11179	1.6
113.00878	8.9
113.07138	1.9
114.39625	1.6
115.02415	4.9
116.98615	9.4
117.03970	4.2
119.01926	10.2
120.08067	2.3
127.02436	1.7
128.98573	2.6
129.03963	6.9
129.10205	6.1
129.31053	1.7
130.04948	2.5
131.00301	1.7
131.01926	23.6
131.05515	7.9
132.02731	2.1
133.03455	4.4
134.99666	1.5
135.05067	2.3
136.07552	2.4
137.00835	2.4
143.01895	5.1
143.11768	3.3
145.03510	7.9
146.99651	2.2
147.05093	12.7
148.06030	2.2
149.06580	13.9
155.01894	9.8
155.05521	2.0
156.07658	1.7
157.03413	3.2
158.99644	5.2
159.05037	14.3
159.07648	5.4
159.08881	1.6
161.02921	5.3
169.03429	4.5
171.05035	12.1
172.05782	1.8
173.02919	5.6
173.06612	44.1
173.12851	5.1
174.06705	2.2
175.04422	1.8
175.08167	1.7
177.00734	20.0
177.06158	9.7
182.04282	2.1
183.05035	3.6
184.05746	3.1
185.06615	67.7
186.06734	2.7
187.04518	2.7
187.08232	7.9
189.06049	3.0
190.98633	1.9
191.07672	14.0
195.01860	8.0
197.06590	4.8
199.08154	3.8
201.06090	3.0
201.12360	4.0
203.04007	3.3
203.05861	2.5
203.07654	34.9
203.93974	1.9
205.00128	2.2
205.11905	1.7
209.06621	1.9
210.03726	2.8
213.02267	1.6
215.07643	16.9
215.13937	3.4
217.09325	2.4
219.13449	2.4
221.05130	4.2
225.06133	2.0
227.07671	17.1
233.08690	3.2
235.01202	3.6
243.07095	4.3
247.01312	4.7
257.08621	3.0
265.02246	5.1
272.16159	2.1
275.06982	2.7
275.09787	46.2
276.10043	2.7
282.53265	1.7
287.05600	2.8
289.02234	10.1
293.10825	100.0
294.10928	2.7
315.05743	2.3
387.11292	10.0
387.18860	2.9
405.12372	57.4
405.23346	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	404.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.9
55.01873	0.5
55.05513	3.4
57.03426	0.6
57.07087	1.0
65.03976	0.6
67.05508	5.1
68.05031	0.5
69.03419	0.7
69.07075	1.1
69.13706	0.5
71.51016	0.6
75.65984	0.5
78.37584	0.4
79.05499	4.9
80.05021	3.7
81.03436	1.3
81.07062	11.9
82.06592	0.6
83.05003	0.7
83.08617	1.7
84.04505	9.3
84.08147	1.7
85.02911	6.8
85.06554	0.8
91.05476	2.3
93.07047	3.4
95.08611	3.9
97.06571	0.7
98.09675	0.7
105.07033	1.5
107.08603	3.4
108.08119	6.4
109.06508	6.7
109.10155	1.3
117.07018	1.0
119.08588	1.5
121.10163	1.9
123.11691	0.8
124.07609	1.8
126.09162	95.2
127.07564	11.7
127.09515	1.0
129.07021	0.9
131.08569	1.2
133.10153	1.4
135.11710	1.1
142.08644	1.8
144.10204	100.0
145.10355	0.9
147.11720	0.9
149.13242	0.9
154.90559	0.5
157.10149	1.1
159.11681	0.6
173.13322	0.7
177.82240	0.4
181.10065	0.4
199.64186	0.5
243.21017	0.9
261.22211	2.5
276.69815	0.5
348.24915	0.6
369.23950	1.1
386.30258	1.3
387.25046	0.8
404.27148	0.5
404.31729	4.8
405.26862	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60727	1.1
58.99883	1.2
60.04527	1.9
67.48594	1.0
68.98323	1.7
69.07063	1.5
70.06603	6.4
71.48722	1.2
71.97014	1.2
72.07806	1.4
72.08166	14.0
74.06075	2.7
78.52551	1.2
78.95927	1.2
82.99870	4.0
84.04501	2.7
84.08134	5.2
85.02911	2.7
86.09718	8.6
97.02887	1.3
101.00893	24.4
102.05601	1.4
105.00393	1.3
107.62900	1.2
110.07140	1.1
112.07634	1.2
113.00888	13.7
113.04515	1.2
115.02447	5.3
119.01931	18.9
127.02377	1.9
129.03986	4.0
129.10255	2.5
131.01932	17.5
131.05560	11.7
133.03464	6.0
137.00882	3.3
143.01915	79.2
145.03499	6.5
147.01430	1.6
147.05005	3.9
149.06606	9.7
155.01910	27.4
155.05571	3.6
156.02760	2.4
157.03467	3.7
159.05040	4.4
161.02982	54.9
161.07727	1.2
162.03084	1.5
167.05539	2.8
169.07153	1.8
171.05048	3.1
173.03018	15.2
173.06633	32.4
173.12868	4.8
177.06108	4.3
183.05148	1.5
185.03015	1.6
185.06621	41.5
187.04617	1.4
187.08244	7.0
189.06042	1.6
191.07700	6.9
197.06680	2.8
199.08159	4.1
201.02470	1.4
201.06203	1.6
201.12366	3.2
203.04034	19.5
203.07693	16.4
205.09271	1.6
209.06693	2.0
215.07658	13.8
216.07991	1.6
221.05098	18.1
227.07651	7.3
233.08737	2.8
257.08798	3.5
275.09793	46.2
276.10031	2.1
287.06903	1.2
287.09689	5.9
293.10840	100.0
294.10992	2.4
316.12207	2.2
387.11636	7.0
387.15884	2.0
405.12424	42.0
406.12756	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99355	4.0
55.05498	17.4
55.55532	3.4
67.05503	16.6
69.07057	12.4
70.90120	8.1
72.08136	12.1
76.26192	4.1
77.49174	3.9
79.05492	19.6
81.07058	82.9
84.08157	7.9
85.02911	4.4
85.06538	4.5
91.05473	15.7
93.07054	44.3
95.08615	67.8
97.06530	6.4
97.10178	22.9
105.07044	41.2
107.08604	36.4
109.10157	22.5
113.09647	7.6
114.20401	4.3
115.59290	4.2
119.08582	49.2
120.07111	3.6
121.10124	19.5
126.99716	3.8
130.77802	5.0
133.10132	56.8
147.11703	27.3
147.65376	4.4
149.13255	29.1
161.13324	10.9
163.14894	4.5
189.16396	100.0
207.17488	17.2
239.33913	4.2
404.24341	10.4
404.29105	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	404.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36602	2.7
56.05031	5.7
63.04004	3.1
69.07059	6.7
70.06595	27.3
70.89395	7.6
71.05001	5.7
72.08156	35.9
74.02470	3.2
77.81100	3.0
79.05499	4.5
81.07066	7.1
83.04967	3.7
84.04512	8.3
84.08147	22.8
85.02915	26.8
86.09708	31.8
91.05477	14.9
93.07066	7.1
95.04984	4.5
95.06113	4.9
97.06532	13.6
103.10538	3.0
104.05356	5.3
105.07059	18.5
107.08611	13.0
110.07146	3.1
112.08771	5.6
119.08558	18.3
120.08099	9.2
121.10171	13.4
123.11694	15.8
123.40907	3.1
128.10570	3.5
129.10243	12.9
131.08601	9.0
133.10164	5.4
135.08075	19.4
135.11665	5.7
141.07014	4.3
143.08595	10.2
145.02885	4.0
145.10091	8.1
146.06261	3.4
147.04405	7.9
147.08090	10.5
147.11685	18.0
149.09631	11.8
156.09354	13.6
159.07730	5.3
161.13258	4.8
163.03917	8.7
171.11705	36.9
189.12772	29.7
207.13808	100.0
215.07025	10.3
259.09702	10.2
279.65460	3.1
316.15521	13.8
387.23129	4.4
388.41730	3.6
404.20947	4.7
404.25458	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	404.229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75589	1.8
55.05502	3.4
55.85084	1.5
56.05038	2.6
57.26789	1.7
57.94615	1.8
57.94876	2.2
68.05013	2.6
69.07056	2.2
70.06599	12.2
70.26374	2.0
71.29527	2.9
72.08157	16.9
76.24249	1.8
79.05477	3.5
81.07059	7.1
82.06535	1.9
83.06098	2.5
84.04495	3.3
84.08150	10.4
86.09708	13.8
89.03914	8.5
91.05492	6.3
93.07097	2.3
95.06091	49.7
95.08598	3.3
97.06529	4.8
104.22821	2.0
105.07054	12.8
106.22678	2.0
109.06519	3.2
112.08748	19.3
116.12035	1.7
117.03384	32.4
119.08601	15.0
120.08108	4.4
121.10117	3.8
123.08122	2.4
129.10263	3.8
134.03624	2.1
136.74812	1.9
138.06662	2.6
143.08589	2.1
145.02849	86.8
145.10117	3.9
147.11688	22.8
149.05981	8.7
149.09596	4.6
151.07487	2.9
151.12321	2.8
163.03883	5.1
163.11079	2.5
163.12309	7.9
165.12839	2.0
173.02235	2.1
177.05486	76.9
177.76610	1.9
189.12791	15.2
193.13420	5.9
207.13814	26.5
210.16005	17.2
211.14450	17.5
228.17084	67.6
254.15131	2.7
316.15445	4.0
322.24066	2.1
386.20654	12.3
404.21780	100.0
405.21927	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	404.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	5.7
55.05503	10.9
56.05032	10.7
57.03430	4.7
58.06593	5.0
60.04512	3.5
61.01150	3.4
67.05508	13.8
69.03428	9.6
69.07066	11.2
70.06596	38.4
71.04991	12.7
71.50047	7.4
71.50432	4.8
72.08163	47.5
76.02237	5.2
79.05484	8.3
81.06595	4.0
81.07060	12.5
83.04980	12.4
84.04506	13.9
84.08143	25.1
85.02924	23.9
85.06542	3.8
86.09712	39.2
87.04469	3.5
89.06032	3.9
91.05479	12.3
93.07045	11.1
95.04986	5.7
95.08606	15.4
97.02901	5.2
97.06538	13.0
98.06064	14.9
99.04455	36.3
102.05550	9.8
104.05332	8.4
105.07030	12.7
107.05023	3.6
107.08569	9.6
109.06514	21.4
109.10146	14.8
110.06065	3.5
110.07187	5.0
110.96246	3.2
111.08080	5.2
112.11239	13.6
112.87691	3.1
119.08577	6.7
120.08109	15.6
121.10165	14.6
123.04436	4.2
123.08071	6.7
123.11713	15.2
124.11283	4.8
125.06007	3.8
129.10228	10.2
130.05034	4.2
131.08577	7.9
133.10176	5.0
137.09627	44.8
141.13885	3.4
146.06198	3.2
147.08116	4.2
147.11670	16.3
149.09639	18.0
151.07538	4.8
155.10670	4.6
156.09395	4.1
161.13258	9.6
163.03940	5.1
165.09122	11.3
165.12762	100.0
171.11589	5.1
174.05905	5.9
174.10316	5.3
179.14337	13.1
183.10251	4.6
183.14934	7.9
189.12770	18.3
201.11240	17.9
207.13809	45.8
211.14403	36.3
215.07080	5.5
239.13898	8.1
259.09769	4.0
316.15536	7.4
386.43774	3.7
387.23099	4.2
404.25128	5.0
405.21478	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	403.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	8.9
60.48119	2.1
67.05511	27.3
69.07053	6.8
69.51180	13.3
70.06591	4.2
72.08159	2.8
79.05475	8.1
81.07059	23.0
83.04979	4.1
83.08595	3.5
84.08141	3.1
85.06493	2.4
91.05482	13.8
93.07056	10.8
95.04990	2.2
95.08617	20.3
97.06548	8.3
97.14342	1.9
97.85178	2.3
98.21467	4.3
99.08067	3.7
105.07049	16.1
107.08602	17.8
109.06522	7.2
109.10160	49.7
111.04466	4.1
111.08087	6.7
113.64507	2.2
119.08566	11.6
121.06524	2.1
121.10136	12.5
123.08072	8.5
123.11707	4.4
125.06010	6.5
125.09666	6.6
129.07018	7.8
131.08592	9.6
133.10127	5.7
135.08043	4.4
135.11685	6.2
137.09668	13.2
141.07002	6.3
142.07852	11.3
143.08559	11.4
145.10124	7.3
147.11699	2.8
149.09598	3.1
149.13229	3.2
151.07568	4.2
151.11166	4.6
153.07011	6.6
153.09113	6.9
155.08572	51.5
155.10614	16.5
157.10129	24.1
159.11729	5.1
161.09621	4.5
161.13333	4.7
165.07001	10.0
166.07794	8.7
167.08522	10.8
169.10179	11.3
171.11681	6.1
173.13293	3.0
175.11215	4.9
177.12805	3.5
178.07806	5.5
179.08630	13.3
180.09343	9.1
181.10138	38.7
183.11681	20.9
185.13235	2.6
189.12817	2.9
191.08583	8.4
192.09352	18.8
193.10175	31.1
193.12209	3.4
194.10904	5.1
195.11705	28.8
197.13245	28.3
203.08511	2.9
204.09314	2.8
205.10127	20.2
206.10962	14.4
207.11725	59.6
208.12311	4.7
209.13286	23.7
211.14873	7.1
217.10217	3.7
218.10947	3.7
219.11702	16.6
220.12389	12.6
221.13260	37.9
223.14803	15.3
230.11089	2.7
231.11731	4.9
232.12560	4.7
233.13251	16.0
234.13910	5.5
235.14839	42.0
237.16455	4.6
245.13232	10.2
246.14064	3.9
247.14818	20.6
248.15692	4.7
249.16396	100.0
250.17166	14.0
251.17932	9.8
255.11299	3.8
257.13306	3.1
259.14890	9.1
260.15643	4.2
261.16446	17.1
262.17114	3.3
263.17996	7.4
265.15775	2.2
273.16400	8.7
275.17944	41.0
276.18753	4.2
276.25732	2.2
277.19553	4.7
283.10886	6.6
285.16510	4.8
287.17993	6.9
289.19455	26.4
290.20242	12.7
291.17435	10.0
293.19034	5.3
301.19431	2.7
311.10080	2.5
315.13623	2.5
327.21094	2.6
329.22644	19.2
343.13031	8.9
357.25760	7.1
367.24152	6.7
371.12509	7.3
385.25223	25.3
403.26367	97.2
404.26498	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	403.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.0
56.05033	0.6
57.05825	0.7
57.69177	0.4
62.49220	0.3
66.19943	0.4
67.93755	0.3
69.07076	6.0
70.06599	4.1
70.23245	0.5
70.23595	1.3
71.23982	0.4
72.08162	30.9
73.08490	0.8
74.06095	0.7
84.04509	1.7
84.08159	2.0
86.09714	100.0
87.05630	0.4
87.10028	0.8
88.04010	1.0
98.21443	0.5
105.07014	0.4
107.57542	0.4
116.07103	1.3
128.51410	0.4
129.10252	18.0
132.10266	1.1
134.04515	0.5
141.10211	0.6
143.11812	0.9
143.75829	0.4
144.06606	1.3
147.07867	0.4
156.10153	0.5
157.09741	6.1
161.09283	1.4
175.10774	0.5
192.06651	0.4
199.18102	0.5
201.12398	1.6
225.16074	1.5
229.12000	1.1
233.11348	0.5
247.12918	17.3
247.89005	0.4
270.18039	2.3
272.12515	1.2
283.66547	0.4
309.73148	0.4
403.36066	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	8.1
56.05036	1.2
56.52917	0.4
57.05826	1.0
60.04509	0.6
62.58783	0.4
64.61193	0.4
69.07075	3.9
69.62827	0.9
69.63232	1.9
70.02954	0.9
70.06595	8.8
71.06921	1.2
72.08160	100.0
73.08498	0.8
74.02446	3.0
74.06076	0.9
84.04514	1.9
84.08153	5.3
85.02901	0.6
86.09711	44.7
87.05589	7.9
87.10040	0.9
88.04011	1.5
90.42582	0.5
91.05475	0.6
95.06100	0.9
98.09734	0.4
98.21462	0.5
102.05566	1.1
110.07172	1.5
110.09679	0.5
112.08747	1.1
112.11261	0.8
115.08704	0.6
116.03461	1.3
116.07082	1.0
120.08157	0.9
125.07029	0.5
127.05070	0.8
129.10249	12.2
130.04999	0.6
133.06097	32.8
136.07593	1.2
143.11787	3.9
155.11838	0.6
156.07716	0.8
157.09682	2.7
163.03906	0.7
171.11295	14.7
171.12726	0.9
173.09293	0.6
187.07141	0.5
187.10703	0.4
215.10269	2.6
225.15977	6.1
232.12935	10.9
232.15219	0.7
242.18762	0.8
259.11945	0.7
270.18103	8.1
272.12640	1.2
286.14157	0.6
289.14987	4.0
294.03186	0.5
310.02090	0.5
328.87775	0.5
384.22571	0.7
385.20941	2.3
402.12143	0.8
402.23932	5.2
413.46335	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78948	1.0
53.49338	0.9
55.05516	9.2
56.05032	3.5
57.05804	1.3
58.06594	1.3
60.04512	1.7
60.05645	1.2
66.75092	1.0
67.05495	1.2
69.07065	9.6
70.02943	3.9
70.06600	20.2
71.06944	1.1
71.49425	1.1
71.50127	1.0
72.08163	100.0
73.08490	1.3
74.06081	1.8
82.06565	1.7
83.04967	1.5
83.06133	1.4
84.04512	7.0
84.08152	34.7
85.02882	1.4
85.04030	1.6
85.08469	1.4
86.09714	93.1
87.05592	19.6
87.10048	2.3
88.03991	1.2
89.06052	1.6
95.06092	2.0
96.80822	1.0
98.02409	2.3
98.05984	1.1
100.11234	1.9
101.07108	1.0
102.05540	2.7
106.34781	0.9
107.77892	1.1
110.02377	3.2
110.07161	4.6
112.08736	2.3
112.11231	1.3
113.07156	1.4
113.10788	2.5
115.05044	0.9
115.08689	2.1
116.07089	5.1
117.07454	1.6
119.04916	1.5
120.08093	2.9
123.55081	0.9
124.03934	2.1
124.07578	1.7
127.05063	4.2
127.08716	5.0
129.10280	11.7
130.04994	1.2
130.08632	3.8
132.10194	1.6
133.06102	4.5
134.48920	0.9
136.07605	6.9
138.09091	2.0
141.10242	7.4
143.11801	3.7
144.07675	1.2
147.07664	1.5
147.11287	2.1
152.07062	1.5
155.04475	1.5
155.11790	3.8
157.09741	6.1
166.08643	4.6
169.09747	3.1
171.11284	3.2
172.07195	3.9
173.09225	3.5
174.09570	3.7
175.10788	5.2
177.05362	1.1
179.04736	1.0
183.11275	9.5
185.12794	1.6
186.12332	6.5
187.10754	3.5
189.12354	1.1
193.09802	2.0
195.11243	1.2
197.09143	1.2
197.12975	1.0
200.14008	4.9
201.12364	2.4
202.12663	2.0
209.13943	2.1
211.10760	4.9
212.09158	3.9
214.11856	9.1
215.13983	1.8
222.18410	1.6
227.17670	1.4
228.13464	27.8
229.11844	5.3
232.13028	1.3
240.13412	2.9
241.14265	1.4
246.14561	7.1
263.26669	1.1
271.14130	8.1
272.12411	10.5
282.18134	3.3
285.15668	1.3
286.13998	2.5
288.15350	1.1
289.15149	1.4
299.01886	1.1
303.16602	4.2
307.13599	1.1
327.20303	3.3
356.23029	1.2
357.21283	2.2
384.23587	1.9
385.21298	1.8
401.76135	1.2
402.24750	6.4
403.23160	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	402.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79382	0.9
55.05506	2.6
56.05043	8.9
57.03440	1.1
59.05006	7.4
60.04513	1.5
68.05035	1.0
69.03429	1.1
69.07061	4.4
70.02962	1.3
70.06599	32.4
71.06922	1.8
71.49889	0.9
72.08160	21.9
74.06087	14.0
77.06042	0.9
84.04514	4.9
84.08151	38.9
85.02907	1.5
85.08484	2.2
86.09714	48.2
87.04473	32.1
87.05592	1.0
87.10043	4.2
88.04008	1.1
89.06038	68.6
91.05492	3.0
95.06106	1.4
97.06525	1.0
98.06036	1.0
102.05537	5.8
103.03948	100.0
103.07566	4.4
104.04319	1.0
107.07085	1.2
110.07122	1.2
112.08752	2.5
112.11256	2.6
115.08718	1.8
116.07117	1.6
119.07043	2.3
120.06624	6.4
120.08095	8.2
121.08617	2.0
129.10254	25.3
130.05045	1.0
130.10553	1.8
131.07045	10.4
133.08614	36.4
136.07623	1.7
138.12805	1.8
139.08691	1.2
147.06538	9.4
153.10179	1.1
163.04025	1.2
163.09651	4.9
173.12860	1.2
175.09692	5.2
177.05322	1.2
177.11263	14.4
183.14961	1.5
185.16570	1.2
191.09209	5.7
197.10432	1.3
199.18050	1.5
201.12410	1.3
207.12299	2.6
219.12305	1.8
221.13942	2.3
226.15541	2.2
235.11536	4.8
251.15025	1.6
279.14264	2.1
283.17419	1.2
339.20190	4.0
354.27139	1.0
385.20660	12.8
402.24539	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	401.3417
Annotation	Acanthovagasteroid A
Peak:m/z	Relative Intensity
53.25910	7.8
54.72482	6.4
55.05523	48.4
57.07079	54.3
58.60421	5.7
63.14943	5.9
67.05508	39.3
69.03426	20.1
69.07069	56.3
70.14370	14.5
70.14789	20.1
71.08628	29.3
79.05499	22.4
81.03422	17.4
81.07061	83.3
83.04990	18.9
83.08617	34.7
85.02924	8.6
85.10194	15.4
87.06210	6.8
91.05495	25.2
93.07062	39.6
95.08605	100.0
97.02902	8.6
97.06551	13.7
97.10176	24.3
105.07040	41.8
107.04931	7.6
107.08599	47.1
109.10163	45.3
111.11697	12.9
117.07069	15.2
119.08607	31.5
121.06506	7.8
121.10150	20.0
123.08077	26.7
123.11703	16.3
129.07007	10.1
131.08562	17.6
133.10130	21.0
135.08043	8.8
135.11681	16.3
143.08591	11.1
145.10124	42.2
147.11708	24.4
149.09648	13.9
155.08510	10.9
157.10170	26.6
159.11722	25.0
161.09608	11.5
161.13301	7.4
171.11705	28.7
173.13246	13.7
175.11240	23.0
185.13216	17.8
199.14940	9.0
203.14305	8.9
207.21237	8.1
213.16478	9.6
215.14447	8.8
217.15976	16.8
229.15865	17.3
239.17847	10.2
257.19009	9.1
271.20541	11.2
329.28506	20.3
365.32013	16.9
381.35809	6.7
383.28629	9.8
383.33151	78.1
401.34100	51.4
411.50211	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	401.3419
Annotation	Acanthovagasteroid A
Peak:m/z	Relative Intensity
53.03943	3.3
55.05501	6.8
56.33428	1.7
57.07080	8.6
67.05510	14.4
67.76911	1.7
69.03420	2.6
69.07077	11.8
71.08634	8.4
79.05496	7.7
81.07068	18.3
83.08166	2.5
83.08603	9.6
85.02910	2.2
85.10183	3.9
91.05477	12.3
92.59792	1.9
93.07054	10.0
95.08621	28.9
97.06526	7.5
97.10163	4.5
104.76633	1.6
105.07037	19.5
105.50919	1.7
107.08601	11.0
109.06546	3.8
109.10188	16.4
111.11711	3.6
112.20032	1.9
117.07017	2.0
119.08591	11.6
121.10154	11.0
123.08089	3.4
125.09603	2.1
127.03908	1.9
129.06929	2.0
131.08580	7.6
133.10136	18.4
135.08090	3.2
135.11705	7.2
142.07825	2.2
143.08577	2.7
145.10150	10.9
147.08060	2.3
147.11707	5.5
149.09625	9.3
149.13274	2.3
152.01047	1.8
155.08565	3.9
157.10135	13.7
159.11649	8.6
161.09570	2.2
161.13234	4.3
162.90479	1.6
163.11163	11.2
167.08559	2.2
169.10066	2.2
171.11685	4.4
173.13290	4.2
177.12769	4.1
183.11639	3.0
185.13297	2.2
187.14818	3.7
197.13258	7.0
199.14874	3.3
209.13126	2.0
211.14822	2.9
227.18100	2.4
239.17879	2.0
247.40146	2.0
253.19499	2.7
275.23648	3.4
289.25186	6.2
365.32034	16.9
383.33121	100.0
384.33389	4.2
401.17871	3.9
401.28339	5.7
401.34134	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	401.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	6.9
55.05515	20.7
57.03443	7.7
57.07079	100.0
67.05504	38.3
69.03435	47.9
69.07073	28.2
69.07427	2.7
71.05016	5.1
71.08636	70.9
71.09010	4.2
73.02929	2.2
79.05518	7.4
81.03424	62.6
81.03863	4.2
81.07064	59.2
81.07523	4.2
83.08627	34.6
85.02915	45.9
85.10188	38.2
91.05515	4.2
91.18344	2.3
93.07069	9.9
95.08611	83.9
97.02910	25.0
97.09588	3.4
97.10157	16.3
98.21524	4.8
99.04498	9.5
99.11787	2.4
105.07052	7.4
107.08594	10.6
109.02894	30.2
109.10159	40.3
111.11736	7.3
119.08620	10.3
119.49300	2.1
121.10183	9.6
123.11703	18.4
125.13306	4.3
127.03927	33.3
131.08621	2.5
133.10147	4.4
135.11716	5.0
137.13318	9.9
145.04967	3.5
145.10135	5.5
147.11723	5.4
149.13286	7.8
151.14885	4.0
159.11693	5.0
161.13318	4.9
163.14986	2.3
165.16455	3.0
173.13367	3.4
175.14833	2.6
189.16306	3.4
195.11659	2.0
203.18034	3.8
217.19585	8.8
238.61427	2.3
239.23723	25.3
257.24890	4.6
383.27982	15.9
401.29239	4.4
401.34305	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	401.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83357	1.6
53.03936	5.7
55.05516	18.1
57.03424	5.3
57.07079	100.0
62.71666	1.5
67.05509	34.7
69.03432	51.1
69.07076	23.2
70.75024	3.6
71.04974	5.3
71.08637	67.9
79.05471	5.0
81.03425	59.7
81.07063	49.4
83.08620	29.7
85.02910	38.6
85.10192	35.0
85.10677	1.2
93.07047	4.4
95.08611	68.9
97.02905	23.3
97.10176	19.7
99.04442	8.7
99.77522	1.5
105.07002	3.4
107.08616	2.3
109.02893	27.4
109.09472	2.4
109.10165	27.6
111.11722	4.8
119.08592	2.8
121.10125	2.1
123.11702	15.6
125.13264	4.1
127.02985	2.1
127.03922	35.0
133.10120	1.6
137.13252	5.2
145.04912	4.0
147.11661	2.2
149.57658	1.8
151.14850	2.1
165.16376	2.2
171.11757	2.0
175.11143	2.5
195.16092	1.6
205.64243	1.7
217.19878	1.5
221.22563	2.2
239.23717	24.2
257.18497	1.6
257.24802	2.9
260.84134	1.4
349.83420	1.9
383.27872	15.4
383.32840	3.6
401.29260	3.4
401.34131	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	8.1
54.99229	1.3
55.01867	4.3
55.05519	20.7
57.03424	5.7
57.03678	1.3
57.07084	100.0
58.50208	1.5
61.02902	2.5
61.33857	1.4
65.03940	2.0
67.05190	2.3
67.05516	38.8
69.03101	1.9
69.03444	26.7
69.07077	21.1
71.04994	3.5
71.08642	71.1
71.51012	1.6
79.05477	5.6
81.02997	1.9
81.03435	30.3
81.06596	2.6
81.07069	50.1
83.08633	37.5
85.02917	30.3
85.10193	41.9
88.07642	1.7
91.05489	6.1
93.07038	5.4
95.04979	2.7
95.08619	74.2
96.12818	1.6
97.02901	16.6
97.10185	19.2
99.04462	12.3
99.11735	4.0
101.02323	1.6
102.17834	1.5
105.07034	5.1
107.08566	2.4
109.02898	25.9
109.06520	1.5
109.10172	37.9
111.11722	5.1
117.07033	2.7
119.08594	3.6
121.86375	1.3
123.11723	14.1
125.13274	5.3
127.03939	26.8
129.07021	2.7
131.08565	2.1
133.10150	3.3
135.11725	1.8
137.13258	6.3
141.06961	2.1
143.08543	5.0
145.04999	8.5
145.10100	3.9
149.09552	1.8
151.14789	3.4
155.08559	1.8
157.10153	3.1
159.08073	2.0
159.11728	2.4
160.63635	1.5
161.09589	1.7
169.10165	2.8
184.07359	2.6
195.11781	2.0
197.09662	1.6
221.22635	2.5
239.23734	41.6
257.24771	3.1
287.14072	1.7
341.27069	2.7
383.22391	4.3
383.27823	12.5
401.23233	8.0
401.28207	2.7
401.38080	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	401.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.8
55.05505	13.7
57.07076	8.4
65.03944	3.5
67.05509	24.7
69.03427	3.9
69.07074	17.3
70.68439	3.7
70.68776	8.9
71.04998	8.6
71.08621	8.8
79.05502	26.1
81.03419	7.5
81.07064	36.6
83.08603	5.5
88.07628	4.0
89.63632	3.1
91.05486	49.0
93.07044	53.4
95.04971	8.0
95.08624	25.1
97.02899	6.4
97.10186	3.2
99.04465	4.3
103.05476	4.4
105.07040	100.0
105.68755	3.2
107.08600	34.8
109.02898	5.5
109.06531	55.7
109.10137	16.7
111.08085	8.9
115.05451	7.8
116.06247	3.5
117.07014	28.8
117.36653	3.1
119.08587	70.7
121.10165	18.2
123.08066	7.3
127.03874	4.3
128.06239	13.2
129.06987	25.5
130.07768	10.2
131.08566	59.1
133.10130	76.0
135.08047	14.4
135.11678	26.1
141.07019	12.7
142.07771	26.7
143.08588	47.2
144.09363	7.1
145.10124	86.7
147.08047	5.5
147.11685	14.3
149.09653	3.9
153.07013	8.0
154.07794	4.6
155.08578	24.6
156.09355	18.5
157.10124	65.1
158.10928	16.6
159.08348	2.9
159.11702	40.8
161.09648	4.4
161.13307	6.3
165.06979	7.7
167.08586	10.1
168.09337	5.6
169.10127	27.2
170.10912	9.4
171.11691	31.8
172.12448	6.5
173.13277	37.7
175.11217	5.6
175.14833	12.2
178.07793	4.3
179.08551	10.0
181.10149	17.1
182.10854	6.4
183.11751	23.2
185.13249	14.4
187.14876	33.7
189.12686	4.3
192.09378	4.9
193.10159	11.0
194.10835	8.9
195.11671	25.8
196.12502	5.0
197.13272	18.5
199.14836	18.2
201.12694	7.6
205.09973	4.2
206.10901	8.8
207.11662	14.2
208.12497	3.6
209.13266	29.7
210.13887	3.7
211.14755	11.3
213.12727	4.0
219.11711	3.9
221.13202	17.1
223.14818	10.0
225.16386	4.6
231.11823	4.8
233.13390	4.1
235.14902	8.9
237.16339	11.7
239.17860	4.7
239.23647	5.3
245.13329	4.7
251.17998	9.5
261.16467	7.2
265.19522	4.4
275.18069	3.7
358.26761	3.2
383.33157	6.5
401.13528	7.9
401.17996	7.1
401.28323	36.7
401.38330	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	401.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.3
55.01898	0.2
55.05518	3.9
56.05033	1.0
56.96552	0.4
57.05819	0.3
57.13338	0.3
58.06594	0.4
66.26064	0.3
67.05508	0.5
69.07079	6.2
70.06599	4.1
70.67937	0.6
72.08163	22.3
75.05612	2.4
79.05474	0.3
81.03427	0.6
81.07081	0.3
84.04497	0.7
84.08134	1.9
84.71864	0.3
86.09714	100.0
87.10059	0.9
91.05486	0.6
93.07072	0.3
95.04983	0.3
95.06124	0.3
97.06557	0.3
98.06075	4.2
107.04966	0.6
109.06480	0.4
115.08707	5.6
116.07122	0.6
120.08138	0.5
121.06562	0.3
129.10226	2.4
132.10240	2.0
135.04398	0.3
136.06216	0.3
136.07497	0.3
137.06042	0.7
143.11807	10.0
145.04904	0.3
152.14368	0.3
157.09743	4.1
163.03963	0.5
170.06018	0.3
171.11296	4.2
172.57805	0.3
177.05498	0.3
213.08107	1.0
225.16010	2.3
231.09081	0.4
231.17046	0.4
242.18704	1.2
245.18652	5.7
257.07028	0.5
265.06851	0.4
270.18118	6.6
275.08109	0.6
284.19754	0.3
302.20770	1.5
355.27072	0.3
359.27274	0.3
384.14285	0.4
401.12357	0.5
401.16986	1.5
401.28229	0.9
426.21979	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	401.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54494	0.5
53.03941	0.7
55.01872	0.9
55.05508	5.6
57.03422	0.9
57.07056	2.2
67.05507	7.4
69.03091	0.9
69.03434	14.6
69.07073	5.3
72.16906	0.5
79.05500	5.7
81.06604	0.7
81.07060	12.7
82.76408	0.5
83.04956	2.0
83.08609	3.3
85.06530	2.7
91.05463	5.6
93.07049	7.5
95.04964	1.5
95.08610	13.4
97.06506	1.9
97.10172	0.9
99.08086	1.3
103.05463	0.6
105.07027	6.3
107.04942	1.0
107.08601	9.2
109.06537	4.4
109.10156	8.7
111.07377	1.1
111.08086	11.0
111.11736	1.0
113.28365	0.6
115.05393	1.4
117.07014	2.0
119.08583	5.9
121.06490	4.9
121.10143	9.2
123.08074	3.1
123.11716	6.3
125.09627	2.9
128.06247	3.4
129.06963	1.4
131.08563	2.7
133.06448	1.7
133.10127	7.2
135.08017	4.3
135.11668	2.8
137.09621	6.6
137.13260	1.0
139.11171	3.4
141.06995	1.9
142.07809	1.0
143.08562	4.7
145.06520	0.8
145.10092	2.2
147.08078	1.0
147.11655	2.4
149.09602	2.6
149.13231	1.8
151.11185	2.1
152.06133	0.7
153.06998	1.8
155.08568	5.7
155.10640	0.7
156.09306	0.6
157.10081	2.4
159.07982	0.7
159.11674	2.0
161.09636	1.8
161.13271	2.0
163.11179	1.8
163.14796	0.9
165.06967	3.4
165.12776	0.8
166.07726	1.0
167.08589	3.1
168.09386	1.1
169.06352	0.8
169.10107	4.3
171.08051	43.5
171.11720	1.8
173.09694	1.4
173.13226	3.0
175.11189	1.5
175.14836	1.1
177.12717	1.7
178.07782	6.2
179.08533	7.1
179.14288	2.2
180.09406	2.9
181.06454	0.8
181.10121	3.8
182.07323	1.6
182.10989	0.7
183.08075	1.7
183.11639	3.0
185.09627	4.0
187.11183	1.4
189.07037	0.7
189.12708	1.0
190.07747	3.7
191.08534	2.6
191.14322	1.8
192.09329	2.7
193.10132	11.4
194.07249	2.1
194.10909	8.0
195.08099	4.6
195.09717	0.7
195.10013	0.6
195.11720	5.7
196.08797	1.7
197.09627	12.8
197.13257	1.0
202.07761	2.7
203.08534	4.4
204.09296	3.6
205.10130	26.7
206.07297	1.8
206.10826	2.9
207.08076	1.7
207.11690	7.3
208.08859	6.7
208.12399	1.4
209.09651	7.8
209.13266	2.7
210.10350	1.0
211.11198	8.6
213.09018	0.9
213.12703	1.1
215.08630	2.8
216.09354	4.1
217.10144	4.1
217.15878	1.2
218.10913	2.8
219.08035	2.5
219.11687	6.8
220.08907	3.7
220.12434	2.5
221.09621	85.6
221.13177	4.0
222.10324	6.5
222.13942	2.6
223.11186	14.1
223.14793	1.7
225.12788	1.4
225.16386	0.6
228.09279	1.1
229.10068	3.1
229.15894	0.8
230.10890	5.1
231.08035	6.4
231.11649	10.5
232.08815	5.0
232.12425	1.8
233.09599	3.3
233.13231	5.2
234.10358	3.3
234.13913	1.5
235.11177	10.3
235.14760	5.9
236.11938	1.8
237.12749	6.7
239.14355	0.7
241.10138	0.8
242.10921	1.0
243.11740	3.1
244.08742	1.0
244.12442	2.1
245.09624	7.4
245.13263	8.0
246.10417	23.7
246.14021	4.0
247.11200	13.0
247.14841	3.8
248.11986	7.5
248.15643	1.1
249.12730	7.7
249.16393	2.5
251.14267	3.4
255.11736	0.9
256.12421	2.0
257.13205	2.7
258.10419	1.8
258.14081	1.9
259.11273	5.5
259.14774	2.1
260.11908	7.2
261.12756	53.0
261.16125	2.0
262.13528	7.0
263.14325	33.5
263.17780	1.9
264.15048	1.2
265.15967	3.1
265.18732	0.6
269.13290	1.0
270.14133	1.1
271.11176	1.7
271.14828	2.9
272.11935	3.4
272.14777	0.7
273.12878	4.8
273.16125	4.5
274.13455	4.7
275.14334	7.2
275.17361	1.0
276.15085	3.1
277.12646	1.4
277.15881	7.5
279.13815	2.3
279.17270	1.4
283.14761	1.3
284.11972	1.3
285.12735	1.6
285.16354	1.6
286.13452	1.7
286.16882	0.7
287.14377	5.5
287.17542	0.8
288.14993	2.2
288.18430	0.9
289.15860	13.8
291.13809	1.9
291.17413	24.1
293.15506	1.2
293.18790	1.2
297.12689	1.1
298.13586	2.9
299.14304	3.9
299.17914	1.7
300.15173	1.1
301.15851	3.1
302.16507	1.8
303.13940	1.0
303.17447	4.7
305.15198	1.0
307.16965	3.2
309.16272	0.7
311.14304	1.4
312.15042	1.6
313.15863	3.7
314.16592	1.6
315.17517	3.9
316.18085	0.9
316.21671	0.8
317.15359	1.5
317.18951	10.2
318.19244	0.8
319.16888	1.0
325.15881	1.1
326.16327	1.2
327.17624	3.6
329.19061	1.4
331.16855	1.2
331.20551	1.0
341.19055	1.8
343.20605	6.1
345.18390	1.1
345.22247	1.3
353.19067	2.0
355.24161	1.8
359.23779	1.0
368.21439	1.6
373.25369	5.4
383.23691	18.1
401.24753	100.0
402.25037	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	401.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	14.0
55.01863	2.3
55.05513	16.2
57.03434	3.1
57.07079	47.2
62.11515	1.0
65.03913	0.9
67.05508	24.9
67.36432	1.0
68.87353	0.9
69.03430	10.4
69.07072	12.4
70.06595	1.1
71.04994	2.6
71.08636	33.8
71.50970	1.2
73.02907	0.9
75.61341	0.9
76.10996	0.9
79.05499	9.7
81.03424	49.8
81.07061	30.0
83.04990	2.9
83.08623	20.0
85.02917	14.6
85.06552	1.6
85.10191	19.1
88.07635	1.9
90.21199	0.9
91.05488	11.4
93.07050	9.1
95.04955	2.5
95.08612	39.1
97.02895	9.6
97.06543	1.5
97.10164	12.6
99.04462	4.4
99.11755	1.8
102.09182	1.6
105.07039	10.0
107.04947	3.8
107.08598	5.4
109.02885	100.0
109.06535	2.4
109.09469	1.8
109.10165	19.2
110.03225	1.1
111.04443	2.3
111.11720	2.0
115.05473	1.1
117.07021	5.8
119.08578	6.5
121.06496	1.1
121.10149	5.5
123.04475	1.7
123.11713	7.6
125.09623	3.9
125.13221	1.2
127.03919	19.3
128.06248	1.7
129.06964	2.7
131.08556	4.7
133.06471	1.0
133.10135	4.2
135.08081	1.4
135.11700	2.1
137.13235	4.2
141.06958	1.1
141.16383	1.1
143.08568	2.5
145.04985	3.2
145.06477	1.1
145.10124	3.1
147.11662	1.8
149.09624	2.1
151.14842	1.4
155.08528	1.8
157.10159	1.9
159.08131	1.4
159.11717	1.9
163.07568	1.4
167.08517	1.2
169.10054	1.0
171.11719	1.4
173.09576	1.4
175.07571	1.1
187.07542	0.9
187.11240	1.6
189.11237	2.2
213.12770	2.3
217.15848	1.4
219.17470	4.3
221.22618	2.1
231.13791	3.0
239.23700	17.9
240.23332	1.0
241.15848	0.9
241.61610	0.8
247.99355	0.8
257.24820	2.5
273.18399	1.4
275.20108	4.5
327.19409	1.5
339.34726	1.1
355.78638	1.0
383.27893	4.2
400.38205	2.3
401.23303	3.2
401.28458	2.3
401.38086	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	401.1213
Annotation	Thymusin 6-isobutyrate
Peak:m/z	Relative Intensity
50.51447	1.4
65.08930	1.3
70.06611	8.5
70.14777	6.0
80.22919	1.4
81.26476	1.4
84.08144	2.8
94.93016	4.4
98.15481	1.5
102.05543	1.9
106.04591	1.3
116.07125	2.3
118.08691	1.8
131.01900	2.7
131.31209	1.3
133.69873	1.3
136.06184	4.5
145.03532	1.5
156.04239	2.7
168.03636	1.6
170.49242	1.4
189.03746	1.6
217.00314	1.6
218.86627	1.5
218.92348	2.6
228.92883	4.2
232.92279	6.7
244.90114	7.1
245.05150	1.8
250.09364	2.7
282.55182	1.5
283.03040	3.5
359.32468	1.4
400.90460	2.3
401.12158	100.0
402.12689	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	401.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.0
55.05506	8.7
56.05038	3.3
60.05626	3.1
63.77934	2.4
67.05501	9.9
69.03416	3.2
69.07059	10.0
70.06593	37.4
71.04992	4.8
71.50377	3.4
72.08160	34.8
79.05505	24.6
81.03409	6.1
81.07050	6.7
84.04495	6.5
84.08144	24.2
85.02908	5.7
86.09715	54.1
86.10184	2.6
89.06024	2.9
91.05492	15.3
93.07058	7.2
95.04953	9.6
95.06113	4.4
95.08597	5.5
97.02881	6.6
97.06508	3.5
98.06087	3.7
105.07037	12.7
107.04962	42.5
107.08569	3.4
109.06525	4.7
109.10153	5.6
110.07111	3.4
112.08752	3.2
115.05466	9.3
115.08681	7.2
116.06310	4.2
116.07087	5.2
117.06991	7.1
119.08588	6.5
120.08114	4.5
121.06535	4.9
123.04437	9.5
124.05230	8.0
125.05978	6.8
127.03928	3.1
128.06273	3.6
129.06992	6.4
129.10217	10.0
131.08554	11.7
132.10229	2.9
133.10130	6.4
136.06154	3.7
137.05943	5.4
137.09624	4.0
141.06967	7.2
142.87244	2.7
144.05695	9.9
145.06509	8.7
147.04453	4.3
151.07509	3.6
152.04727	4.9
153.05490	4.7
155.06110	3.2
156.05650	15.5
157.06483	6.2
159.08096	17.2
161.05951	4.7
163.03909	14.5
165.09108	5.1
167.07053	100.0
173.06021	5.7
175.07506	3.3
177.05450	6.8
179.06992	3.5
181.06477	3.5
186.06746	4.1
187.07536	15.6
189.05455	3.7
191.08742	4.7
193.06622	3.1
193.08618	3.9
195.06514	3.9
202.06204	6.1
204.07796	3.5
205.08621	16.7
207.06509	8.7
208.05212	27.3
208.09596	10.6
209.06012	3.5
210.06944	4.4
217.08598	38.4
218.07315	7.0
219.08086	12.9
219.10187	8.7
220.08792	5.2
221.06065	8.1
229.08562	4.1
231.08064	8.8
232.08882	5.0
233.09590	8.6
235.07637	4.4
236.04747	9.4
237.09174	4.4
238.06287	3.7
239.10541	4.6
247.07504	13.3
247.09694	25.7
248.08440	15.9
249.05687	3.4
249.09236	3.8
250.06372	3.6
251.07077	3.3
251.10539	5.2
254.05774	10.4
258.06717	3.7
261.09100	6.2
262.09839	4.8
263.07129	5.3
263.10703	14.9
264.07724	6.1
265.08649	6.4
267.06583	9.5
269.08026	24.8
271.09659	7.5
275.07077	8.2
276.07834	11.0
277.08643	6.1
279.10214	9.7
280.10779	3.9
281.08279	3.2
282.08832	17.7
290.05887	4.2
290.09512	8.1
291.10172	19.1
292.07104	4.9
292.10812	3.2
293.08090	11.9
296.10406	4.0
299.09174	6.1
305.08038	3.6
307.09583	15.1
308.10330	7.8
310.08426	11.6
311.12766	4.2
315.05191	5.8
315.08646	76.8
318.08835	4.3
319.09561	8.9
321.07397	3.9
323.12784	22.1
325.10498	3.4
328.09601	6.9
330.10986	98.6
331.11642	10.4
336.09756	6.5
337.10638	9.7
339.12225	8.3
343.11774	31.9
351.12253	30.4
352.12787	6.5
353.10281	8.7
356.12500	5.4
368.12665	11.4
369.13275	3.2
371.15018	6.9
383.14880	77.2
401.15814	23.4
401.28912	5.9
408.43271	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	400.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20990	0.3
53.03940	0.4
53.90508	0.4
55.05515	8.7
56.05046	0.4
57.03870	0.4
57.07086	2.2
58.06583	1.5
58.34689	0.4
67.05497	1.1
69.07069	7.3
70.06595	17.0
71.08643	0.9
71.50986	0.5
72.08168	0.9
74.06075	0.9
78.87677	0.3
79.05458	0.5
81.07047	1.3
83.08620	4.0
84.08129	0.5
86.06059	0.4
86.09692	0.8
87.04465	0.4
88.07633	28.5
93.07020	0.7
95.08582	1.0
97.10162	1.5
101.61086	0.3
102.09183	12.7
109.02850	0.4
109.10152	0.4
111.11678	0.4
114.24158	0.4
119.59443	0.3
127.03885	0.4
132.10172	1.8
145.10170	0.5
146.11749	0.7
150.11237	0.9
167.47649	0.4
190.07324	0.4
193.18997	0.3
252.89053	0.3
280.29935	0.3
294.31555	0.6
296.29480	0.9
297.29825	3.6
327.80499	0.4
338.34171	31.7
339.34616	0.8
382.36835	2.2
400.37860	100.0
401.23502	0.5
401.38351	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	400.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96246	1.2
55.05514	1.7
56.05034	1.7
57.03427	4.8
59.05016	6.9
60.04520	1.1
61.02914	2.0
67.05498	1.8
69.03435	9.0
69.07060	2.1
69.81729	7.2
70.06596	17.1
71.06905	1.4
72.08167	12.8
73.02917	6.3
79.05480	1.3
81.03413	1.5
81.07084	1.5
82.02834	1.9
83.10149	1.4
84.04511	3.7
84.08150	11.0
85.02435	1.9
85.02912	19.4
86.09710	17.2
87.04005	1.9
87.04480	23.6
88.03966	1.3
89.06042	15.4
91.05487	2.5
95.04965	2.1
97.02907	9.3
98.09726	1.1
103.03951	100.0
103.07579	3.5
112.11234	2.2
113.05998	7.7
115.03915	5.4
119.04939	2.0
120.08125	6.6
121.08656	2.2
127.03872	1.9
127.08679	1.6
129.05542	1.4
129.10234	5.5
130.06528	1.4
131.07037	5.4
133.04987	5.9
133.08600	8.3
136.06151	2.6
136.07561	5.8
145.04979	7.9
147.06541	9.0
147.07539	1.8
151.03928	1.7
162.03157	6.6
163.05992	3.8
163.09631	2.1
175.09779	1.9
177.11191	2.7
191.09169	5.4
192.10167	2.5
207.11934	1.3
235.11659	2.5
238.10756	9.0
251.14848	4.4
263.14813	1.7
279.14368	2.7
295.09760	1.5
297.79337	1.4
307.17432	9.7
314.03922	2.8
337.18484	4.6
356.08090	1.5
400.11194	8.6
400.18591	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	400.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00806	0.2
51.04776	0.2
53.22213	0.2
54.03501	0.2
55.01867	0.8
55.05509	0.3
56.05025	0.6
57.03436	1.2
58.06562	0.3
68.55520	0.2
69.03434	2.3
70.06602	2.7
71.01365	0.5
71.49067	0.2
72.08160	1.7
73.02923	0.8
74.06077	0.4
80.75028	0.2
83.04923	0.2
84.04487	0.5
84.08138	1.6
85.02902	1.5
86.09720	0.7
94.04057	0.3
97.02895	2.8
98.03230	0.5
99.04448	0.4
100.01169	0.2
100.41939	0.3
102.05556	0.4
107.86700	0.3
109.02890	0.3
109.11430	0.2
110.07185	0.4
112.08762	0.2
115.03936	0.7
116.07047	0.2
119.03581	1.3
120.08118	0.4
127.03870	0.3
127.08681	0.4
127.94952	0.2
129.10246	0.4
133.04991	0.9
136.06200	100.0
137.04639	0.5
137.06618	1.2
150.02222	0.3
151.96036	0.3
174.17250	0.3
178.07202	0.3
187.06157	0.3
250.09389	1.0
251.09691	0.9
268.10443	8.7
269.10684	0.5
358.13470	0.6
400.14847	3.4
407.54776	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.1
55.05501	12.7
57.03431	6.2
67.05509	24.5
69.03434	10.1
69.07066	17.9
69.50210	27.5
71.05016	7.0
73.02917	12.1
79.05491	21.3
81.07061	56.3
82.91361	3.1
83.04990	5.7
83.08629	7.4
87.04476	5.6
90.26213	3.6
91.05484	14.5
93.07040	38.4
95.04960	12.0
95.08616	52.4
97.06528	7.9
99.04458	10.3
105.07035	43.6
107.08604	36.5
109.06516	7.8
109.10171	35.7
111.04443	8.3
111.08056	4.5
117.07026	10.3
119.08599	57.1
121.10148	26.7
123.08099	5.6
123.11728	11.3
129.07033	7.2
131.08568	24.2
133.10146	30.0
135.08043	7.0
135.11691	15.5
137.09608	5.6
137.13277	5.2
142.07854	4.6
143.08583	16.9
145.10126	34.8
147.11719	19.0
149.13284	9.0
155.08585	9.1
157.10155	26.1
159.11713	29.0
161.09680	6.2
161.13268	12.5
163.14789	8.2
169.10135	16.3
171.11705	18.0
173.09636	6.0
173.13290	16.7
175.11176	5.6
175.14835	7.0
177.16380	4.3
181.10106	3.7
183.11670	21.5
185.13283	9.1
187.14838	11.4
189.12837	4.7
189.16515	5.5
195.11745	5.9
196.12553	4.4
197.13280	11.7
199.14931	19.9
201.16302	6.8
209.13234	6.4
211.14819	13.7
213.16434	14.4
215.17976	10.8
223.14815	9.2
225.16437	10.1
227.14375	3.6
227.17923	4.4
239.18018	10.9
251.18051	5.2
253.19524	5.9
265.41962	3.9
267.20920	5.1
269.22650	17.4
279.21146	3.4
281.22745	16.4
283.20813	5.4
283.24130	8.2
293.22760	6.2
295.24243	19.2
307.24194	9.2
319.24335	6.5
323.23868	6.4
325.25375	6.3
331.48593	4.0
337.25027	6.0
340.94897	3.9
363.26715	11.5
381.27927	34.7
399.28983	100.0
400.29349	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	399.2898
Annotation	Mooloolabene E
Peak:m/z	Relative Intensity
53.03954	5.1
55.05511	16.7
57.03440	2.3
57.07080	4.7
59.70763	2.4
65.03935	3.2
67.05509	26.1
69.03439	8.0
69.07076	14.4
69.44111	18.9
71.05007	5.0
73.02905	9.1
79.05505	18.4
79.19685	2.8
81.03433	2.9
81.07066	48.4
83.04980	8.8
83.08630	6.9
83.12877	2.4
85.02912	3.6
85.06538	2.9
87.04465	4.0
91.05489	22.8
93.07057	37.8
95.04976	10.4
95.08624	51.3
97.06554	5.1
97.10188	4.1
98.21492	5.1
99.04468	7.7
105.07041	42.5
107.08601	42.0
109.06499	4.9
109.10177	35.6
111.04453	5.7
117.07005	8.5
117.75700	2.4
119.08585	44.8
121.06510	5.3
121.10160	25.8
123.08071	6.1
123.11720	11.1
128.06253	4.2
129.07028	7.6
131.08577	20.6
133.10158	24.7
135.08049	4.7
135.11691	18.4
137.13335	3.6
142.07764	4.4
143.08574	15.3
145.10146	24.6
147.08083	4.8
147.11716	20.4
149.09644	3.7
149.13263	9.9
151.11137	2.4
155.08606	9.6
157.10115	20.9
159.11717	31.1
161.09676	3.9
161.13257	11.5
163.14845	7.0
169.10129	13.8
171.11707	18.7
173.09615	3.4
173.13255	17.3
175.11223	6.6
175.14859	9.9
177.12749	2.7
179.10718	2.6
181.10103	5.4
181.12360	2.5
183.11664	11.9
185.13268	10.6
187.11108	3.9
187.14821	9.9
189.12801	4.4
189.16400	7.8
195.11804	5.2
196.12257	2.8
197.13252	10.5
199.11220	3.7
199.14919	14.9
201.12709	3.5
201.16403	9.4
203.17931	4.0
207.11687	2.7
209.13284	9.3
211.14873	16.5
213.12794	4.4
213.16380	14.3
214.02777	2.5
215.14417	5.7
215.18047	7.9
221.13232	3.2
223.14885	6.4
225.16484	12.8
227.14462	3.1
227.17987	8.1
229.15891	4.4
229.19601	2.7
237.16495	4.5
239.18051	5.3
241.15820	3.6
241.19643	6.0
242.12640	2.3
246.59412	2.8
247.12946	2.5
251.18173	3.8
253.19638	7.1
255.21146	3.3
263.18024	3.4
265.19620	4.7
267.21216	6.1
269.22787	15.9
271.24387	3.9
281.22617	17.8
283.24197	6.7
293.22675	5.1
295.24045	13.2
297.25891	3.8
307.24228	8.1
309.25952	3.4
311.23770	4.9
319.24219	4.3
323.23837	8.1
325.25253	9.6
335.27560	4.0
337.25293	10.0
339.26962	5.8
343.22638	4.6
355.26498	4.0
363.26794	12.6
381.27957	27.7
399.29004	100.0
400.29059	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	399.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.7
56.05040	1.6
59.05016	0.5
59.63780	0.4
67.05517	0.7
68.05009	0.5
69.03440	1.0
69.07075	0.7
70.06597	100.0
71.03450	0.8
71.05014	0.6
72.08160	3.6
74.02469	0.4
75.05608	1.2
79.05489	1.0
81.03430	0.9
81.07069	1.2
83.04992	0.4
83.06111	0.5
83.08629	0.5
84.04498	2.4
84.08160	3.0
86.09713	34.1
89.06055	1.1
91.05495	1.0
93.07046	1.0
95.04980	0.4
95.08624	0.5
97.02897	4.6
97.06548	0.5
98.06077	0.8
102.05534	2.4
104.63324	0.4
105.07055	0.8
107.08630	0.7
109.10166	0.5
111.04456	0.5
111.37263	0.3
116.07095	8.0
117.06938	0.4
120.08120	0.9
121.06483	0.6
129.06592	0.6
129.10269	1.4
130.05014	1.7
130.06430	0.4
131.04985	0.4
133.06477	0.4
133.08603	0.6
135.08162	0.5
136.06178	4.7
137.05983	0.7
141.10266	0.4
143.11798	12.4
147.04401	0.4
147.07710	0.9
147.11679	0.7
153.01852	1.3
163.03925	0.9
168.67332	0.4
171.11313	3.5
183.14973	1.0
184.08832	0.4
187.03841	0.4
229.15489	58.3
230.15787	0.7
239.17554	0.5
250.09340	4.3
268.16580	0.7
269.04547	0.7
284.19650	1.7
298.09747	1.0
355.08139	5.5
374.46259	0.4
399.10577	1.7
399.15738	0.8
399.24707	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2381
Annotation	Hypochoeroside K
Peak:m/z	Relative Intensity
53.03935	0.8
54.89136	0.6
55.01861	1.5
55.05513	3.5
56.05019	1.5
57.03429	1.3
57.07062	1.2
61.02914	1.7
67.05506	7.4
69.03431	17.9
69.07072	5.1
69.70966	0.5
70.06596	8.4
70.27859	1.8
71.04980	1.1
71.06919	0.6
71.08624	0.7
72.08153	4.8
79.05495	3.8
81.03402	1.6
81.07055	8.5
83.04974	1.7
83.08603	1.4
84.04483	0.9
84.08157	3.2
85.02906	7.6
85.06544	4.2
86.09712	3.5
86.10158	0.8
91.05480	5.0
93.07047	23.7
95.04960	1.9
95.08619	6.8
97.02898	8.5
97.06533	3.5
97.10182	0.7
99.04399	0.6
100.11255	0.5
102.05518	2.3
105.07043	5.1
107.04941	1.4
107.08599	13.9
109.02879	1.1
109.06533	4.5
109.10159	22.5
110.07157	0.8
111.04432	1.3
111.08080	7.7
116.07093	1.3
117.06991	2.0
118.08652	3.1
119.08602	4.0
120.08118	0.7
121.06491	3.3
121.10152	9.1
123.08071	4.5
123.11717	6.6
125.09626	1.9
127.03939	2.8
129.05521	0.9
129.06999	0.6
129.10263	1.3
131.08551	3.2
133.10147	3.3
135.08069	11.3
135.11696	27.4
136.06200	6.9
137.05991	1.2
137.09624	16.6
139.11133	0.6
145.04959	2.0
145.10135	6.5
147.11684	1.3
149.09586	2.5
149.13245	2.1
151.11130	0.6
157.10162	0.9
159.09056	0.5
159.11707	6.6
161.09607	2.3
161.13245	4.3
163.06067	0.6
163.07416	0.7
163.11194	6.8
173.13283	0.8
175.14822	0.7
176.11952	2.0
177.12752	1.3
177.16397	3.5
180.62624	0.5
184.07346	1.3
191.07031	0.9
191.17978	1.3
201.16367	6.6
219.17448	100.0
220.17786	2.3
237.07674	0.6
237.18495	2.2
250.09363	5.7
298.09702	1.5
313.03397	1.9
322.46103	0.6
355.08041	1.9
399.10599	4.6
399.19492	1.1
399.24103	1.0
400.10916	0.6
408.42322	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84357	0.5
53.03932	1.0
55.01855	0.8
55.05512	5.3
65.87967	0.6
66.92233	0.6
67.05511	4.4
69.03426	5.5
69.07056	3.2
69.91420	0.5
77.03899	0.7
79.05487	5.2
81.07060	6.1
83.04968	6.6
85.06538	0.7
86.06053	0.6
91.05476	7.1
93.07040	6.5
95.04989	1.3
95.08614	7.6
97.06535	1.2
103.05491	1.2
105.07025	10.8
107.04939	1.2
107.08595	7.8
109.06521	2.8
109.10155	7.5
111.08083	5.2
115.05482	0.7
117.07015	2.1
119.08585	9.2
121.06513	6.4
121.09334	0.9
121.10143	10.9
122.07307	0.7
123.08056	4.7
123.11710	2.0
125.09611	0.9
128.06200	1.8
129.06992	1.9
131.08572	4.7
133.06487	1.2
133.10135	4.7
135.08069	7.6
135.11681	2.6
137.09612	19.7
141.06961	0.7
142.07771	1.6
143.08572	3.3
144.09323	1.8
145.06488	1.8
145.10110	2.9
147.08069	1.5
147.11705	3.1
149.09618	8.1
149.13281	2.7
151.11148	1.8
153.06885	1.0
154.07784	1.0
155.08507	3.1
155.10641	0.9
156.09380	1.0
157.10144	1.8
159.08078	1.2
159.11694	4.7
160.08800	2.7
161.09621	2.3
161.13182	0.7
163.11165	7.7
165.06996	2.2
166.07799	1.2
167.08553	1.9
168.14912	0.7
169.06471	0.7
169.10123	1.8
171.08049	15.8
171.11644	3.7
173.09608	1.7
173.13310	0.7
175.11165	9.0
177.12744	15.2
178.07800	1.3
179.08571	5.0
180.09300	2.0
181.06403	0.7
181.10120	2.0
182.07300	1.1
182.10802	0.8
183.11757	1.3
185.09598	2.0
185.13295	0.8
187.11156	0.8
187.14771	0.6
189.07130	0.6
189.12708	3.8
190.07765	1.5
191.08586	1.8
192.09358	4.5
193.10069	4.4
194.07307	0.8
194.10841	1.5
195.08099	3.8
195.11697	2.9
195.37820	0.5
196.08849	1.1
197.09612	5.3
199.11169	1.8
201.12628	1.0
202.07706	2.7
203.08591	3.7
204.09244	3.1
205.10146	7.4
206.10852	2.9
207.08083	3.0
207.11703	5.7
208.08858	6.1
208.12299	0.6
209.09612	7.2
209.13316	2.2
211.11153	3.8
213.12744	0.7
215.08559	8.4
216.09337	6.1
217.10101	3.8
218.10861	3.2
219.08072	2.6
219.11656	6.9
220.08870	4.7
220.12413	2.5
221.09625	8.0
221.13063	2.7
222.10394	10.2
223.11169	10.0
223.14670	0.9
225.12738	1.6
227.14406	0.6
228.09177	1.2
229.10107	4.5
230.10904	10.0
231.08092	4.9
231.11662	11.7
232.08932	4.1
232.12379	2.2
233.09610	5.4
233.13190	3.6
234.10381	8.4
235.11172	39.7
235.14937	1.2
236.11702	1.9
237.12770	10.6
241.10043	2.2
241.12277	0.7
241.15863	1.0
242.10789	1.3
243.11688	4.9
244.08746	1.6
244.12427	1.4
245.09607	9.7
245.13284	21.1
246.10423	11.4
246.14061	5.1
247.11194	9.7
247.14774	2.4
248.11945	6.4
249.12776	10.1
250.13255	1.0
251.14363	1.1
254.10948	0.9
255.11653	1.9
256.12463	4.4
257.13306	2.6
258.10461	1.5
258.14023	1.0
259.11206	10.3
259.14462	1.3
260.11908	7.0
261.12769	19.3
261.16321	1.6
262.13464	2.1
263.14319	12.2
263.17593	0.7
263.18146	0.7
265.15793	0.6
269.13260	2.5
271.11462	1.4
271.14807	6.1
272.11942	3.1
272.15164	1.1
273.12720	4.1
273.16452	1.2
274.13513	22.8
275.14252	4.6
276.15149	0.8
277.12054	0.7
277.15778	3.2
279.13947	0.8
282.13992	1.1
283.14908	1.3
285.12830	1.0
285.16232	1.1
286.13483	3.5
286.16946	1.1
287.14319	8.6
288.15100	1.3
289.15857	71.8
290.16254	3.3
291.13864	2.3
291.17480	2.9
297.12808	1.4
297.16132	0.9
299.14349	1.4
300.15002	1.2
301.15878	1.7
302.13312	0.7
302.16586	1.3
303.13876	0.8
303.17401	2.1
303.20630	0.7
305.15405	2.1
307.17276	0.7
309.12888	0.9
310.13461	1.0
311.14313	1.6
313.15958	1.1
315.13943	0.9
315.17484	1.6
323.14420	0.9
323.17776	0.8
324.15082	0.9
325.15823	1.7
326.16736	0.9
327.17566	1.3
329.15277	1.8
329.19009	0.7
330.16284	1.1
333.16541	0.8
337.15842	0.8
339.17355	1.0
341.19037	1.4
343.16837	1.3
351.17459	1.8
353.22702	1.0
357.22250	1.2
363.21402	0.9
366.19827	2.1
369.18594	0.7
371.23828	3.2
381.22104	10.2
384.20703	0.7
399.23184	100.0
400.23505	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	399.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04838	0.9
56.05037	8.8
59.05016	1.2
67.05507	5.1
68.05024	1.2
69.03424	2.4
69.07059	1.3
70.06596	21.9
70.66398	1.0
71.08627	6.1
72.08158	9.0
74.06062	1.2
78.03662	0.8
81.03407	0.9
81.04518	0.9
82.02949	1.5
83.06107	17.1
84.04507	5.2
84.08162	4.4
85.02929	1.2
86.09718	14.0
89.10786	1.1
94.06564	1.6
95.04977	6.1
97.02900	11.1
98.06032	3.1
99.05574	4.2
99.08100	3.1
100.08730	2.4
101.07147	1.9
102.05528	3.0
105.01995	0.8
105.07018	1.0
109.04016	6.0
112.07606	1.1
112.11282	1.0
116.07121	2.7
116.10752	1.9
118.06551	2.1
120.08095	1.6
122.06034	2.3
123.04433	6.6
126.06647	100.0
127.05065	3.0
127.08678	2.8
129.10252	1.9
130.06543	1.7
136.06192	7.5
140.07074	10.5
141.05507	3.2
141.89899	1.0
144.07689	3.6
145.07635	1.6
146.06029	2.6
155.08142	2.5
158.08148	5.7
159.09204	2.9
163.08662	1.8
171.05507	1.2
176.09193	13.5
177.10252	0.9
181.09860	0.9
186.07648	2.0
195.11357	1.0
197.12900	1.5
205.09697	2.3
206.08086	1.2
206.12891	5.8
213.12369	1.5
223.10840	5.5
224.09225	1.7
224.13948	41.4
225.14214	1.2
229.15494	5.0
231.07632	2.9
241.11784	6.4
242.14960	2.7
248.10307	3.0
249.08746	3.5
250.09418	5.8
266.11426	4.0
284.12518	5.8
301.03568	1.1
303.04889	1.2
311.14645	1.2
313.03351	3.8
339.19104	3.2
355.08136	2.7
356.21661	1.3
363.20276	1.5
381.21402	1.6
382.19568	3.2
398.59305	1.0
399.10980	12.3
399.16373	1.2
399.17377	1.2
399.22098	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	399.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.7
53.03940	2.1
55.01870	1.0
55.05508	1.4
56.05027	2.7
57.03440	7.4
60.04505	0.6
61.01148	0.6
61.02916	2.6
69.03430	9.3
69.07090	0.9
69.14999	6.2
70.06598	15.1
71.04989	1.5
72.08160	8.8
73.02914	0.9
73.08491	0.6
74.02432	0.9
74.06067	0.8
81.03423	4.8
83.04988	0.6
84.04501	2.5
84.08140	6.3
85.02909	21.0
86.09716	10.2
87.04471	1.2
89.10794	1.3
91.03960	1.3
91.05468	0.6
93.05531	0.6
95.04993	1.1
97.02894	11.8
98.06067	0.9
98.20628	0.6
99.04457	3.2
102.04743	1.2
102.05537	1.9
103.04046	2.9
103.05471	47.1
104.05817	0.6
105.07043	1.4
108.68029	0.7
109.02891	3.4
110.07155	0.7
112.11200	1.0
115.08701	0.9
116.07101	2.4
117.05522	1.6
120.08107	0.8
125.00042	0.8
127.03936	5.9
129.05490	0.7
129.10262	2.5
130.04155	1.4
131.04936	100.0
132.05251	1.4
133.06541	1.0
136.06206	5.7
136.07167	0.7
136.07639	1.0
143.75368	0.7
145.04996	3.0
147.04422	1.1
148.05196	11.4
153.01846	1.7
160.05229	0.8
161.05951	3.8
163.07555	42.9
173.09277	2.4
175.07584	0.8
184.07358	2.2
187.10712	0.6
199.18098	1.0
201.09132	1.9
219.10304	0.7
229.08429	0.6
237.11261	1.9
250.09364	4.7
253.05063	0.6
270.05118	0.6
286.14230	0.7
289.05917	0.7
298.09772	1.0
355.08115	7.8
399.10782	3.3
406.61554	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01876	1.0
55.05518	2.9
57.07076	0.4
67.05512	5.8
68.05042	2.0
68.85140	0.4
69.03434	24.1
69.07072	5.0
69.98758	0.9
69.99166	1.1
70.06604	0.9
71.04985	0.8
71.08632	1.2
72.08151	0.6
72.80586	0.4
76.88176	0.4
79.05497	4.3
81.03410	1.3
81.07060	4.8
83.04990	1.5
83.08636	1.0
86.06074	100.0
87.04473	37.1
87.06380	0.7
91.05487	2.9
93.07050	6.0
95.04969	2.1
95.06074	0.5
95.08617	4.8
97.06528	1.5
97.10194	1.0
99.08089	0.5
104.07111	46.0
105.07030	1.7
107.08597	2.8
109.06524	1.2
109.10167	2.5
111.08162	0.4
117.07053	0.9
119.08587	2.4
121.10152	2.9
123.08077	0.5
123.11718	0.9
131.08554	0.9
133.10173	1.5
135.11710	0.8
137.09639	1.6
139.11188	1.8
145.10170	0.9
147.11691	1.3
149.09584	0.4
149.13261	0.8
151.11226	1.2
151.83807	0.4
159.11583	0.4
159.58525	0.4
161.13257	0.7
162.34628	0.3
165.12822	0.8
179.14467	0.4
181.12134	0.4
199.14818	0.4
249.22256	0.5
250.20085	0.4
277.21655	9.8
295.22717	12.9
332.42126	0.4
380.28180	0.7
398.29016	19.0
399.29630	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2692
Annotation	3,4-Dihydroxy-2-methy-4-[(2E,6E)-farnesyl]-3,4-dihydroquinoline 1-oxide
Peak:m/z	Relative Intensity
51.46105	1.0
52.14126	1.0
54.20567	1.0
55.05502	4.4
59.04997	2.7
67.05515	6.5
67.98272	1.2
68.05024	9.1
69.07095	2.6
69.87431	6.0
70.06600	35.4
71.04996	2.2
79.05505	7.6
80.05046	1.5
81.07071	7.9
91.05488	19.8
93.07065	11.7
94.06590	2.3
95.04974	30.8
95.08614	3.9
95.38203	1.1
96.08144	2.5
98.06034	2.6
98.21534	1.2
100.07630	9.6
103.05469	2.3
105.07042	41.2
107.08608	9.1
108.08176	5.8
109.10155	3.1
110.09752	1.1
114.05550	14.1
115.05465	2.6
116.06322	2.0
116.07104	13.6
117.07021	15.7
119.08594	64.8
120.08103	4.8
121.10166	10.0
122.09683	10.7
123.10452	1.3
128.06235	2.0
128.07086	14.7
129.07060	6.4
130.07796	6.6
131.08594	16.3
133.10139	13.4
134.09662	2.0
135.11684	1.8
136.11221	5.2
140.10703	1.2
142.07805	3.5
143.08571	9.7
144.09349	4.8
145.10139	50.1
145.11308	2.7
147.11668	12.8
148.11267	5.7
151.06332	2.1
154.08647	3.6
155.08582	3.1
156.09355	2.0
157.10127	7.8
159.11720	3.8
160.11182	1.7
161.09598	2.1
164.07054	1.2
166.08687	3.6
167.08577	1.8
168.10223	70.0
169.10083	2.0
171.11731	2.3
172.11238	2.7
173.13284	8.3
175.14845	3.9
178.08650	15.1
180.10385	1.5
181.10115	2.1
183.11681	3.8
185.13332	1.7
186.12682	1.8
192.10260	2.6
194.11838	10.8
195.11763	2.3
197.13228	1.8
199.14893	2.5
200.14418	1.7
206.11852	1.4
209.13260	7.3
211.14841	1.5
214.15991	3.1
223.14832	1.6
230.11766	1.9
232.13290	1.8
234.14914	1.8
239.17964	1.7
244.13420	4.4
258.14981	5.6
259.15649	3.1
260.16495	51.1
265.19452	3.1
267.21048	2.5
287.18854	1.2
288.19681	5.4
380.25888	87.0
381.26132	2.4
398.26932	100.0
399.27280	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	398.269
Annotation	3,4-Dihydroxy-2-methy-4-[(2E,6E)-farnesyl]-3,4-dihydroquinoline 1-oxide
Peak:m/z	Relative Intensity
53.03949	0.7
55.05514	2.9
56.05014	0.6
57.07064	1.8
67.05511	3.3
68.05029	3.7
69.07060	2.3
70.06596	19.4
71.05018	0.8
79.05492	5.7
80.05019	0.7
81.05785	0.7
81.07059	6.1
84.08173	0.8
85.06541	1.3
85.07160	0.6
91.05480	8.2
93.07049	9.1
94.06564	1.9
95.04973	5.7
95.08611	3.5
96.08141	3.3
98.06033	0.6
98.21482	1.1
99.38193	0.6
100.07629	4.3
103.05485	1.2
105.07039	14.7
105.07633	0.5
106.06551	1.3
107.07345	0.6
107.08599	6.9
108.08123	2.1
109.10170	2.4
114.05528	7.2
116.07095	7.4
117.07021	4.8
118.06588	0.8
119.08586	19.8
120.08121	3.8
121.06525	0.6
121.10142	5.2
122.09713	3.7
126.23235	0.6
128.06223	1.2
128.07071	7.0
129.06998	3.1
130.07808	1.6
131.08578	9.6
133.08891	2.0
133.10130	7.2
134.09650	2.3
135.08041	1.5
135.11676	1.2
136.11220	2.1
140.10704	0.9
142.07751	2.2
142.08730	1.1
143.08548	6.1
144.09348	1.6
145.10127	14.4
146.09650	1.5
147.10612	0.6
147.11710	2.9
148.11221	8.5
149.11983	0.9
150.12891	0.8
151.06262	1.2
154.08609	2.2
155.08583	1.4
156.09358	1.2
157.10150	6.7
158.09697	0.7
158.10912	1.7
159.11710	3.0
160.11195	1.0
161.09647	0.9
161.13248	1.0
162.12808	1.3
163.15048	0.7
163.92690	0.6
164.07103	1.1
165.06981	0.6
166.08708	0.8
167.08632	1.0
168.10233	24.9
169.10121	3.1
171.11755	2.6
173.13258	5.1
175.14856	2.7
178.08649	6.7
179.08540	1.0
181.10161	0.9
183.11726	3.0
185.13272	2.4
187.14832	1.4
188.14369	0.9
192.10205	2.9
193.10432	0.5
194.11830	11.4
195.11716	1.7
197.13298	1.9
199.14810	1.4
206.11778	1.4
207.11711	0.8
208.13264	0.6
209.13248	3.6
211.14922	1.3
212.14392	0.6
214.15849	1.2
223.14815	1.5
224.15764	0.7
232.13353	1.9
234.14890	1.5
235.14760	1.1
239.17912	1.4
244.13359	1.0
258.14972	1.7
260.16464	8.2
265.19464	1.1
288.19693	0.7
306.20575	3.5
380.21066	1.2
380.25894	15.7
398.26917	100.0
399.27216	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	398.2693
Annotation	3,4-Dihydroxy-2-methy-4-[(2E,6E)-farnesyl]-3,4-dihydroquinoline 1-oxide
Peak:m/z	Relative Intensity
55.00896	1.4
55.05510	5.3
67.05515	6.6
68.05038	9.6
69.07070	3.3
70.06598	41.4
70.75182	2.7
70.75515	1.4
74.80254	1.3
79.05499	7.6
80.05015	2.5
81.05796	1.4
81.07060	11.3
90.70942	1.2
91.05491	22.9
93.07045	11.6
94.06562	3.3
95.04977	33.2
95.08635	6.3
95.63648	1.2
96.08138	5.4
98.06057	2.8
100.07642	8.2
103.05476	2.2
105.07037	46.5
106.06546	1.5
107.08597	8.8
108.08109	7.9
109.10196	3.9
114.05540	15.2
115.05500	1.6
116.07106	14.7
117.07029	18.0
117.67001	1.5
119.08588	73.7
120.08089	6.3
121.08925	1.4
121.10164	11.6
122.09670	10.9
123.10408	1.9
128.06233	2.5
128.07079	12.9
129.07013	8.4
130.07802	8.9
131.08580	16.5
133.10149	13.5
134.09630	2.4
135.11763	2.6
136.06212	1.2
136.11194	7.4
140.07106	1.5
140.10742	1.6
142.07758	3.4
142.08734	2.2
143.08562	12.0
144.09338	5.4
145.10139	57.0
145.11307	2.9
146.09612	2.4
147.11703	15.9
148.11201	6.4
151.06287	3.4
154.08644	4.0
155.08571	3.6
156.09344	2.3
157.10147	9.2
158.10867	2.2
159.11713	4.7
161.09654	2.8
166.08673	3.0
167.08563	1.5
168.10223	78.3
169.10170	3.9
171.11755	3.5
172.11226	2.1
173.13284	6.6
175.14844	2.8
178.08633	16.7
179.08630	2.0
180.10252	1.8
181.10115	2.4
183.11728	3.8
185.13313	3.1
186.12810	2.3
187.14894	2.3
192.10147	2.6
193.09833	1.3
194.11867	11.6
195.11650	3.4
197.13263	2.7
199.14827	3.0
209.13312	7.8
211.14857	2.4
214.15930	3.5
218.60840	1.3
230.11804	1.6
232.13289	3.1
234.15126	1.5
239.17969	2.0
244.13338	3.3
248.17072	1.4
258.14847	5.8
259.15634	3.3
260.16483	57.7
265.19562	2.0
267.21283	1.4
288.19577	5.5
314.07935	1.4
326.33881	1.2
353.19653	1.2
380.25870	98.5
381.26355	1.6
398.26935	100.0
399.27390	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	398.2692
Annotation	3,4-Dihydroxy-2-methy-4-[(2E,6E)-farnesyl]-3,4-dihydroquinoline 1-oxide
Peak:m/z	Relative Intensity
53.03936	1.6
55.05513	4.1
57.07064	1.6
59.04994	1.5
59.18359	0.8
65.03912	0.9
67.05513	8.5
68.05003	2.8
69.03419	1.4
69.07082	4.6
69.89594	0.7
70.06264	1.2
70.06600	16.5
70.39810	3.1
71.04970	1.4
72.05317	0.9
72.08138	1.1
74.26917	0.7
79.05494	6.6
81.03407	1.5
81.07059	10.5
82.07404	0.9
83.08605	2.3
84.08122	1.3
85.02869	0.9
91.05483	9.7
93.07043	11.7
94.06538	1.6
94.07389	0.9
95.04954	2.5
95.08615	6.9
96.08123	2.5
97.02881	1.0
97.06535	0.8
99.20296	0.9
100.07635	4.4
103.05453	1.0
105.07037	14.9
106.06548	1.0
106.07375	1.1
107.08609	9.9
108.08925	2.1
109.10190	4.1
110.10455	1.1
111.04455	1.7
114.05519	4.6
116.01998	1.0
116.07122	5.8
117.07056	4.8
119.08584	15.3
120.08083	3.4
120.08895	1.6
121.06493	1.0
121.10162	5.7
122.09667	2.0
123.11737	1.9
125.09627	1.7
127.11194	1.7
128.06233	1.3
128.07066	5.1
129.06995	3.1
130.07253	0.8
131.08586	10.2
132.08954	1.2
133.10136	6.6
134.09656	2.1
135.08046	2.0
135.09779	0.8
135.11644	2.7
136.11148	1.5
137.05888	0.9
141.81239	0.8
142.07759	2.9
143.08633	6.6
144.09177	1.0
145.10127	10.1
146.09567	1.4
147.11685	4.1
148.11182	7.8
149.12027	1.1
153.06868	1.3
153.12697	1.1
154.08659	2.1
155.08583	2.8
156.09238	1.3
157.10132	7.1
158.10735	1.9
159.11748	5.3
161.09621	1.1
161.13283	1.2
165.07010	1.0
166.08693	1.1
167.08630	1.9
168.10265	16.5
169.10115	3.5
170.10513	1.7
171.11717	4.3
172.12109	1.5
173.09612	0.9
173.13272	4.8
175.14798	3.0
178.08690	4.7
181.10094	2.5
182.10452	1.0
182.15456	6.2
183.11685	5.5
183.13051	0.8
184.12100	1.6
185.13251	3.0
187.14792	2.0
192.10220	2.6
194.11868	11.0
195.11671	3.1
196.12183	1.9
197.13223	2.2
198.13847	1.2
199.14856	2.2
201.16478	0.9
206.11893	1.2
207.11539	1.6
209.13184	3.4
210.13663	1.7
211.14804	1.5
223.14818	1.7
225.16225	1.0
226.16663	1.0
234.15033	1.4
235.14990	1.0
240.14624	1.7
257.19199	1.1
260.16495	1.5
265.19507	1.5
280.87775	0.9
306.20578	4.1
308.24762	1.0
311.19479	1.1
312.20419	1.5
338.25098	1.2
352.26883	1.0
362.25620	1.1
380.26428	8.1
398.27002	100.0
399.27383	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	398.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33648	2.6
55.05507	9.2
56.05040	19.2
57.03444	33.7
58.06590	3.3
60.04523	6.0
61.01146	10.2
61.02927	13.2
66.53504	2.8
67.05510	5.9
68.05038	3.2
69.03436	39.0
69.06731	4.1
69.07074	41.0
70.06597	80.9
71.01370	5.5
71.04977	5.1
71.06931	5.0
71.24971	3.0
71.49535	3.9
72.08164	50.7
72.92253	2.6
73.02927	60.8
74.06062	6.6
79.05502	3.5
81.03426	8.5
81.07056	4.8
82.06589	4.8
83.06107	4.7
84.04512	20.3
84.08152	57.0
85.02912	100.0
86.09222	6.1
86.09714	66.7
87.04478	7.8
87.05624	3.7
89.10780	3.6
91.03986	3.6
91.05499	13.7
93.07052	3.9
95.06090	9.6
97.02898	61.2
98.06046	5.6
99.04476	5.5
102.05544	9.2
103.05473	6.1
104.05306	11.4
105.07038	9.6
109.02879	7.1
110.07184	19.1
111.08105	5.5
112.08712	10.1
112.11259	4.5
113.07157	3.9
115.03936	39.3
115.08669	4.4
116.07100	14.5
120.08121	51.0
123.04446	6.7
127.03928	23.1
127.08709	3.9
129.10234	24.0
130.05005	8.1
130.06551	5.6
131.04910	6.4
132.08066	3.1
133.05006	20.2
136.06175	13.1
136.07588	12.5
138.47871	3.1
145.04973	46.6
147.04408	6.9
150.07611	4.5
156.07671	3.2
163.06047	21.9
163.07353	4.2
169.09798	3.2
173.09248	12.1
184.07384	3.7
206.09935	7.6
223.06087	5.5
225.17079	3.2
241.07185	4.6
249.12285	4.5
250.09354	5.1
251.12230	22.9
259.08142	5.7
268.13095	6.0
287.05331	3.4
295.10269	10.4
334.17725	4.8
352.18683	10.8
370.25443	3.9
380.17050	4.7
398.19217	26.9
398.24203	5.4
399.10840	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	397.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.9
67.05524	8.3
69.07076	100.0
71.04999	2.7
71.08627	1.8
79.05474	5.0
81.07067	10.1
86.09660	2.3
91.05486	10.8
93.07037	4.6
95.08607	8.1
101.09666	83.4
105.07024	3.6
107.08582	4.1
109.10149	2.7
119.08556	4.2
121.10149	3.8
123.08054	2.4
131.08577	2.2
133.10104	2.0
135.11662	2.8
136.42200	2.0
147.11688	3.1
161.13327	1.7
161.14687	1.7
165.24872	1.6
175.11153	2.7
183.13820	3.2
184.07304	3.1
186.61786	1.6
197.94606	1.6
245.28052	1.6
319.26263	2.1
347.25940	11.2
379.28439	5.4
397.34680	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	397.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.9
55.01868	9.3
55.05510	27.8
57.03429	6.4
57.07065	11.0
59.51538	3.2
62.09815	3.4
67.05183	5.3
67.05508	61.4
69.07070	54.2
70.24168	12.8
70.24550	6.2
71.04977	9.5
77.06512	3.6
79.05497	44.6
81.03404	5.4
81.07056	100.0
83.04973	7.8
83.08625	25.3
85.06522	12.5
91.05491	34.0
93.07039	56.6
95.04937	6.9
95.08607	44.9
97.06530	14.0
97.10165	8.2
99.08092	19.9
105.07026	29.9
107.04933	3.7
107.08605	35.5
109.06487	10.1
109.10167	21.2
111.08071	8.7
115.07566	6.6
117.06991	4.5
119.08584	25.2
121.10160	44.3
123.11687	8.3
125.09612	14.0
129.09090	5.9
131.08568	13.9
133.10149	24.4
135.11719	38.0
143.08582	7.6
145.10101	11.1
145.59094	4.0
147.11694	24.6
149.09636	5.9
149.13269	13.7
151.11166	7.1
157.10138	12.9
159.11710	12.1
161.13232	16.3
163.11153	7.6
165.12737	7.3
171.11612	5.2
173.13272	5.8
175.14859	7.0
177.12706	5.9
179.14337	5.0
183.11632	4.4
185.13255	7.9
193.16029	3.6
199.14786	5.7
215.17909	3.3
220.71683	3.5
241.19414	7.6
251.37283	3.3
259.20462	8.8
259.88974	3.3
277.21588	49.6
295.22644	16.1
295.89920	3.7
379.32248	11.9
397.26736	5.3
397.31018	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	397.2741
Annotation	Estradiol 17beta-cyclopentylpropionate
Peak:m/z	Relative Intensity
50.26081	1.6
53.03938	1.7
54.51974	1.5
55.01862	4.8
55.05521	13.6
55.42454	1.7
57.03431	2.4
57.07072	4.2
59.05013	1.9
60.35973	1.4
65.92432	1.4
67.05513	19.2
68.58921	1.4
69.03436	10.7
69.07070	19.4
70.43011	4.2
71.05000	15.4
79.05489	14.6
81.03435	12.6
81.07061	35.4
83.04967	5.1
83.08621	6.2
85.02892	5.6
85.06525	2.3
91.05487	16.8
93.07040	24.5
95.04971	14.1
95.08620	26.1
97.02889	6.4
97.06513	5.7
97.10182	5.5
99.08089	2.5
105.07041	29.2
107.04955	4.5
107.08594	24.4
109.02840	3.1
109.06519	4.7
109.10165	20.2
111.04440	13.9
115.05475	2.3
117.07046	5.5
119.08584	28.0
121.06506	5.5
121.10153	17.9
123.04433	5.2
123.08054	2.2
123.11713	8.4
125.09647	3.7
127.11198	13.4
128.06223	2.8
129.07022	9.9
131.08563	18.2
133.06520	2.7
133.10144	19.8
135.08081	3.0
135.11694	7.6
137.05998	2.9
137.09619	2.9
137.13234	2.2
141.06998	3.4
142.07834	4.6
143.08580	14.3
143.10666	4.8
145.06511	4.0
145.10135	22.9
147.08044	4.5
147.11676	10.9
149.13240	5.5
151.07474	2.5
151.16080	1.7
153.06975	3.0
153.12717	2.1
155.08556	13.3
156.09302	4.1
157.06532	2.3
157.10120	22.1
159.08090	4.6
159.11691	20.4
161.09669	4.2
161.13242	7.6
163.07611	1.8
163.11263	1.6
163.14810	3.8
163.68829	1.9
165.09196	2.4
165.12721	1.8
167.08606	4.0
168.09387	3.6
169.10138	15.9
171.08086	5.3
171.11703	13.9
173.09616	3.6
173.13275	10.9
175.11180	2.6
175.14850	3.7
177.09212	2.5
179.08594	4.3
180.09145	1.8
181.10155	7.3
182.10930	4.1
182.15370	2.9
183.08134	1.6
183.11694	13.0
184.12207	1.8
185.09698	4.7
185.13303	10.4
187.11208	5.0
187.14842	7.2
189.09145	4.8
189.16405	2.2
192.09409	3.4
193.10172	3.6
194.10965	2.2
195.08148	2.0
195.11678	15.6
196.12453	3.4
197.09673	5.4
197.13246	12.0
199.11205	5.0
199.14879	7.6
201.09119	4.0
201.12769	4.3
201.16374	8.6
203.10725	2.0
205.09988	2.2
206.10889	2.8
207.11674	7.5
208.12454	2.6
209.13295	10.3
210.10323	1.9
211.11349	4.4
211.14799	9.7
213.12718	5.4
213.16405	8.8
215.10695	2.1
215.14284	1.8
215.17970	2.6
217.19591	2.8
219.11717	4.1
221.13284	6.1
223.11188	2.4
223.14798	9.8
225.12862	4.1
225.16400	7.8
227.10774	2.0
227.14330	5.8
227.17918	6.8
229.12329	5.3
233.13298	2.6
235.14854	3.6
237.12674	2.3
237.16345	8.0
239.14351	14.5
239.18008	2.5
241.15854	3.9
243.13754	3.4
247.14796	2.2
249.16411	5.0
251.14363	2.1
251.17940	6.1
253.15872	5.1
253.19467	3.1
255.14023	1.8
255.17378	3.3
257.15442	4.3
263.17963	5.3
265.19403	3.3
267.17444	2.5
267.21063	2.5
269.15182	2.7
269.22739	4.1
271.16861	1.8
275.18008	5.9
277.19513	2.2
281.19250	2.7
281.22598	2.6
285.22000	1.9
287.16272	1.8
291.18015	2.0
291.21088	4.4
293.19092	9.9
293.22583	3.1
295.20679	4.0
299.23608	3.0
305.19131	2.0
305.22668	2.0
307.20605	2.5
307.24167	3.1
309.22119	3.8
311.20172	11.5
313.25003	1.8
321.13248	1.8
321.22507	1.8
323.19983	2.7
323.23651	2.3
327.23279	2.7
333.25552	1.9
337.25269	1.9
341.21362	2.9
351.26791	2.4
361.25186	8.2
379.26355	26.7
397.27386	100.0
398.27725	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	397.2741
Annotation	CHEBI:68422
Peak:m/z	Relative Intensity
53.03941	4.8
55.01861	4.8
55.05511	8.6
57.03440	2.1
57.07056	4.7
59.04982	2.6
64.64337	1.6
67.05515	18.4
69.03440	9.5
69.06779	1.6
69.07079	16.1
70.06598	2.1
70.64465	4.9
71.01346	1.7
71.05003	16.2
72.08142	2.4
79.05500	10.6
81.03433	12.7
81.07066	30.9
83.04980	3.3
83.08619	7.7
85.02890	5.1
91.05496	14.7
93.07056	21.8
95.01357	1.9
95.04969	13.5
95.08614	26.6
97.02920	4.3
97.06544	4.3
97.10189	3.7
99.26138	1.8
101.02300	1.7
103.05423	2.7
105.04465	1.9
105.07047	29.8
107.04959	3.7
107.08595	22.9
109.02860	1.7
109.06512	5.0
109.10167	17.4
111.04469	12.2
115.05476	2.7
115.97096	1.7
117.07036	8.0
119.08585	29.1
121.06558	3.3
121.10165	15.2
123.04467	6.2
123.08012	2.0
123.11742	8.4
125.09650	5.2
127.11221	13.7
128.06218	3.9
129.05473	2.2
129.07002	7.4
130.07774	2.5
131.08559	14.0
133.06541	3.3
133.10152	15.9
135.08041	4.0
135.11714	9.4
136.99300	2.1
137.06012	4.1
137.09627	2.3
137.13254	1.9
141.07016	5.2
142.07782	5.4
143.08560	17.2
143.10695	4.9
144.04712	1.7
145.06505	4.3
145.10144	21.9
147.08052	5.3
147.11716	11.3
149.09619	2.7
149.13304	3.8
153.12769	2.4
154.07802	2.3
155.08545	15.8
156.09312	5.3
157.06520	1.8
157.10129	20.5
159.08086	4.7
159.11742	17.9
161.09624	3.8
161.13246	6.6
163.11168	2.5
163.14844	3.7
165.07045	3.7
165.12762	1.8
166.07768	2.6
167.08600	5.3
168.09329	3.0
169.10132	17.2
170.10928	2.5
171.08125	3.6
171.11711	12.7
173.09651	5.4
173.13292	10.2
175.11244	2.0
175.14842	3.5
177.16490	2.8
179.08635	5.2
180.09366	3.0
181.10150	10.6
182.10924	3.3
182.15390	2.1
183.08189	4.2
183.11679	15.5
185.09669	4.1
185.13292	13.6
187.07492	2.2
187.11111	2.8
187.14870	6.7
189.09135	2.4
189.16330	4.2
192.09454	3.3
193.10179	7.4
194.10828	1.9
195.11725	13.0
196.12430	2.6
197.09631	5.0
197.13264	11.4
199.11293	5.1
199.14833	7.1
201.09225	4.2
201.12740	3.3
201.16409	7.1
205.10138	2.6
207.11691	8.6
208.12386	2.6
209.09688	4.6
209.13242	12.0
211.11215	5.5
211.14867	9.9
213.12823	5.4
213.16400	8.9
215.18140	3.9
217.16000	2.0
219.11769	3.6
221.13332	8.0
223.14816	9.2
225.12743	5.6
225.16437	7.3
227.14290	2.3
227.17929	6.3
229.12163	2.5
229.15932	3.5
231.11671	1.7
231.13809	2.9
233.13260	2.2
234.14185	1.6
235.14886	7.4
237.16383	8.7
239.14297	13.4
239.17970	2.7
241.12212	1.8
241.15907	3.0
246.13895	2.0
247.14871	3.1
249.16406	5.6
251.14333	2.5
251.18007	4.8
253.15958	5.0
255.17491	3.0
257.15457	4.5
263.14224	1.7
263.17938	5.5
265.15857	2.4
265.19519	4.3
267.17404	2.5
267.21088	2.1
269.22620	3.6
275.17984	5.5
277.19611	2.0
279.21091	2.3
281.19025	4.6
281.22879	2.5
283.20471	2.1
291.20969	2.9
291.82166	1.8
293.19006	11.1
293.22610	6.2
295.20572	3.3
295.24008	1.8
297.22400	3.5
299.23846	1.9
307.24045	2.2
309.22186	4.4
311.20081	11.3
311.23624	3.1
319.24243	2.4
327.23157	2.9
337.25510	2.0
349.25305	2.0
361.25204	7.8
363.65945	1.8
367.26437	2.2
379.26361	27.3
397.27420	100.0
398.27271	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	397.2739
Annotation	CHEBI:68422
Peak:m/z	Relative Intensity
50.81890	1.8
53.03936	2.5
55.01882	3.3
55.05510	11.1
57.03393	1.8
57.07073	2.3
61.02926	2.1
65.03915	2.1
67.05504	18.6
69.03437	10.0
69.07078	10.2
72.22333	1.6
73.02909	3.2
79.05502	12.7
81.03418	5.3
81.07064	29.0
83.04987	4.3
83.08616	4.3
85.02908	5.6
86.07980	1.7
91.05484	13.7
93.07056	24.5
95.04967	5.0
95.08613	31.2
97.06524	1.9
97.10210	3.0
105.07044	27.9
107.08605	22.3
109.06549	2.7
109.10168	20.2
111.04435	5.3
115.03917	2.3
116.24607	1.9
117.07014	7.1
119.08584	32.1
121.06526	3.5
121.10153	18.5
121.48859	1.7
123.04466	4.1
123.08074	3.1
123.11702	8.2
128.06216	2.9
129.05446	4.2
129.07025	6.4
130.07768	1.9
131.08598	15.5
133.09184	2.5
133.10120	17.3
135.08022	3.0
135.11678	9.1
137.13274	2.0
141.07034	2.2
142.07755	6.3
143.08571	16.7
145.06523	3.0
145.10136	25.2
147.08081	2.9
147.11751	11.6
149.09625	2.0
149.13280	6.1
155.08554	10.0
156.09381	3.1
157.10135	20.1
158.10904	1.9
159.08090	2.7
159.11696	16.5
161.09651	2.8
161.13284	8.5
163.14862	4.9
165.06975	2.1
167.08644	3.6
168.09306	4.0
169.10172	14.1
170.84843	1.9
171.11696	12.4
173.13306	13.4
175.11201	2.5
175.14827	4.9
179.08659	3.8
181.10156	6.8
182.10916	2.8
183.11722	13.6
185.09641	3.0
185.13356	10.0
187.11226	2.1
187.14856	7.8
189.12816	2.2
189.16415	2.1
193.10182	5.0
195.11699	9.6
197.13229	12.5
199.11223	2.9
199.14848	9.2
201.12695	2.5
201.16415	5.8
203.17967	2.1
207.11789	3.9
209.13295	11.7
211.14816	9.5
213.12762	2.9
213.16425	6.8
221.13338	2.8
223.14827	6.5
225.12720	2.4
225.16345	6.9
227.14334	3.5
227.17873	4.1
235.14751	5.7
237.16415	5.6
239.17999	4.2
249.16470	6.4
251.14217	2.2
251.18001	5.6
253.19612	2.0
255.21141	2.7
263.17908	3.1
265.19635	3.6
267.17520	2.4
267.21121	5.8
269.15515	2.2
269.22653	3.1
279.20911	2.8
281.22684	7.7
283.24286	2.4
293.22604	13.4
295.24164	4.5
297.22345	2.5
305.22711	4.3
307.24060	8.4
315.96234	2.2
319.24234	3.8
321.21887	2.4
323.23734	3.0
327.19565	2.1
333.25821	2.4
337.25275	5.5
343.23984	3.0
351.26776	4.2
361.25333	9.0
367.26141	2.3
379.26306	25.6
397.27399	100.0
397.34760	3.1
398.27649	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	397.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	8.8
55.05512	29.9
57.03440	10.6
57.07083	10.7
67.05243	8.3
67.05519	97.0
69.03415	32.5
69.07057	42.6
69.19763	97.5
79.05494	56.7
81.03416	40.6
81.07057	100.0
83.04956	22.0
83.08601	17.3
85.02928	14.5
85.06525	11.0
91.05482	38.4
93.07067	68.3
95.04974	15.3
95.08617	78.2
97.02886	23.4
97.10170	10.4
98.21510	20.5
99.04495	11.1
99.08112	11.4
105.07031	42.1
107.05006	13.5
107.08588	38.7
109.06519	11.6
109.10154	32.2
111.04435	25.3
117.07068	14.8
119.08591	37.4
121.10162	37.8
123.11701	18.6
125.85242	8.5
127.03894	12.4
129.06981	10.1
131.08560	29.4
133.10126	28.6
135.04704	13.4
135.08066	16.5
135.11662	23.3
137.09547	9.8
137.13251	12.2
143.08572	20.3
145.10127	26.4
147.08099	9.0
147.11703	25.2
149.13286	26.7
157.10112	18.0
159.11720	31.0
161.13263	16.5
169.10130	13.6
171.11676	24.3
173.13194	15.7
175.14816	9.2
177.12769	9.2
187.14766	13.0
211.14853	10.1
217.19490	10.4
235.17097	10.3
235.20581	12.0
247.20674	13.3
263.20370	11.5
343.22766	12.9
361.23993	21.8
379.25299	20.9
397.14551	11.9
397.27304	73.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.8
55.01875	6.1
55.05500	11.0
57.03425	3.9
57.07058	3.9
65.03944	4.8
67.04761	2.2
67.05511	33.5
69.03428	12.1
69.07079	16.4
71.04981	3.8
71.08625	5.9
78.67790	2.4
79.05511	18.7
80.45541	2.0
81.03432	19.4
81.07066	42.1
83.04958	4.4
83.08611	5.8
85.02893	6.3
85.06519	4.2
91.05492	100.0
93.07047	29.4
95.04968	10.4
95.08607	26.0
97.02900	8.4
97.06528	4.5
97.10178	2.6
99.08088	3.9
105.07049	20.5
107.04965	4.3
107.08595	15.6
108.08110	19.0
109.02863	3.5
109.06508	7.4
109.10141	8.2
111.04442	6.6
111.08083	3.5
117.07027	8.4
119.08588	18.0
121.06470	6.3
121.10168	10.7
123.11700	6.6
127.03934	2.8
128.06195	2.3
129.07022	5.2
131.08565	11.5
133.10127	10.1
135.08043	3.8
135.11702	9.4
137.05875	2.5
137.09607	5.9
137.13310	3.4
143.08539	3.8
145.10133	7.8
147.11679	9.1
149.09541	3.7
149.13246	4.1
153.12796	2.5
157.10120	5.4
159.11694	7.6
161.13275	7.4
163.14760	2.9
165.12808	4.3
169.10110	3.7
171.11710	5.2
173.13240	5.4
175.11227	3.1
175.14857	5.1
181.10165	3.0
185.13318	2.9
189.16502	2.7
193.15871	2.5
201.12753	2.6
207.11690	2.7
215.17967	4.3
227.14273	3.2
233.19022	2.7
235.20598	3.6
245.19066	3.4
247.20453	2.7
259.20691	2.5
291.23224	6.0
300.23325	3.1
315.23071	2.4
319.22861	2.2
325.21582	3.4
343.22690	9.8
361.23605	11.9
379.25195	9.6
397.28992	9.1
398.30630	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1652
Annotation	Ponganone VI
Peak:m/z	Relative Intensity
53.03938	1.7
55.01875	2.6
55.05511	2.1
58.06601	1.9
67.05495	3.1
69.03434	4.1
69.07069	2.2
70.06602	12.8
71.50410	1.5
72.08154	10.8
77.03907	1.6
79.05486	6.1
81.03412	3.8
81.07039	7.0
83.04990	2.1
83.08631	1.5
84.04483	3.9
84.08148	7.7
85.02907	3.5
85.06535	1.4
86.09701	6.3
86.65983	1.4
91.05485	13.8
93.07024	4.8
94.04200	2.8
95.04980	2.9
95.06093	1.6
95.08620	3.0
97.02895	2.4
97.06519	2.0
98.06018	1.9
99.04472	1.5
103.05460	2.6
105.07039	10.2
107.04953	3.7
107.08578	3.4
109.02835	2.5
109.06514	3.4
109.10178	1.7
110.07150	3.9
111.04478	1.3
111.08109	1.7
115.05426	2.1
115.08714	2.2
117.07073	1.7
119.04943	7.6
119.08578	2.9
120.08125	2.9
121.06510	3.9
121.10135	1.8
122.03645	7.2
123.04424	2.3
127.04006	1.9
128.06227	4.0
129.06998	5.1
129.10205	2.0
131.04942	2.3
131.08574	7.6
133.02895	1.6
133.06508	1.6
133.10158	3.8
135.04427	3.2
135.08009	3.0
136.06218	1.7
137.05986	90.6
141.06981	5.5
142.07771	2.8
143.08566	2.9
144.05731	3.8
145.06438	2.0
146.07237	2.0
147.04417	4.1
147.07948	1.3
147.11674	4.4
149.05966	5.8
151.07529	9.9
153.07040	3.3
155.08540	4.7
157.06483	4.7
157.10130	2.7
158.07262	3.7
159.08055	9.0
159.11690	2.2
160.05185	1.7
161.05977	15.4
162.04187	2.7
163.07552	2.0
163.11166	1.5
165.06999	5.0
167.08574	2.7
168.05655	1.7
169.06470	3.9
170.07233	3.0
171.08009	5.6
172.05229	1.5
172.08871	4.4
173.05948	1.8
173.09651	2.3
174.06589	1.7
175.07585	6.6
175.11224	2.8
181.06506	3.2
182.07240	5.3
183.04434	2.2
183.08025	5.6
184.05238	1.6
184.08862	3.1
185.06000	2.5
185.09656	9.3
186.06813	2.5
186.24551	1.5
187.07523	6.5
187.11189	3.0
189.09081	3.1
189.12695	3.3
191.06964	8.8
193.12242	1.6
194.07278	1.9
195.08051	1.5
197.05994	2.5
197.09700	9.3
198.06744	13.9
199.07539	9.0
199.11113	1.4
201.09135	4.9
202.07713	2.9
203.08704	2.3
203.10626	2.8
205.08578	2.7
210.06723	4.3
211.07535	3.7
212.08345	4.4
213.09129	20.9
215.08772	2.2
215.10651	8.2
215.12544	1.8
216.09413	1.4
217.08501	3.0
217.12198	2.4
217.15881	2.0
219.08138	1.6
225.09111	13.2
228.07820	1.8
229.10344	1.7
231.08072	3.3
231.10143	2.4
233.09650	2.5
234.98987	1.5
235.13379	1.7
235.16879	2.2
242.09399	1.9
243.08017	2.5
243.10222	18.9
245.09534	4.9
245.11830	1.8
247.07500	2.2
248.08307	2.2
249.08904	2.5
255.10214	7.1
257.09702	3.9
258.10474	2.3
259.07510	3.0
260.08316	3.8
261.09073	5.4
263.10699	1.7
264.07751	3.7
265.08588	3.4
271.07437	2.7
273.11276	56.2
274.09610	2.0
275.10626	4.5
276.07806	4.6
277.00076	1.8
277.08624	7.0
277.12216	4.5
277.94241	1.4
278.09317	2.1
278.12433	2.4
285.08951	2.5
286.09863	2.4
287.10645	2.5
288.07858	3.0
289.08572	4.8
289.12204	5.1
290.09448	1.9
291.10178	9.4
292.07455	2.1
292.10849	3.1
293.08014	5.0
293.11685	3.8
301.08633	3.9
301.12134	1.8
302.09375	2.2
303.10135	5.4
305.08167	3.0
305.11697	5.6
306.09009	2.5
307.09671	14.2
308.10464	5.4
309.11057	1.7
317.11731	4.0
319.09714	2.8
319.13290	2.2
320.10440	2.9
321.11319	7.2
323.12869	2.5
326.10461	2.2
329.11713	1.6
333.11261	4.5
334.11984	2.4
335.12833	6.5
337.14542	2.1
339.12253	3.4
347.12552	3.0
349.14462	8.0
351.12253	16.0
352.12473	2.0
353.13910	3.1
354.14670	25.6
361.14575	2.8
365.13373	2.0
367.15482	3.8
379.15414	16.8
397.16470	100.0
398.16888	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	396.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63259	0.7
53.03952	0.8
55.01867	0.7
55.05514	4.2
57.16394	0.7
67.05516	11.2
68.05036	1.5
69.03088	1.4
69.03442	19.6
69.07076	9.0
70.29908	2.4
79.05501	8.5
81.03432	1.3
81.07060	6.8
83.05024	1.5
83.08628	0.9
86.06078	100.0
87.04481	25.9
91.05489	5.2
92.05805	0.7
93.07058	9.5
95.04988	3.1
95.08618	5.9
97.06518	1.7
97.10180	2.1
104.07117	33.9
105.07038	5.5
107.04951	4.1
107.08611	3.9
109.06561	0.8
109.10159	3.5
117.07050	1.9
119.08608	5.3
121.10168	4.9
123.08058	1.4
129.06976	0.8
131.08592	2.5
133.10159	3.1
135.08070	2.9
135.11736	1.0
137.09619	1.5
139.11203	3.0
143.08591	0.9
145.10165	2.5
146.88365	0.7
147.11739	2.5
149.09653	1.2
157.10187	1.6
159.11787	2.0
161.13315	0.8
169.10062	0.8
171.11742	0.8
173.13254	1.2
203.12869	1.9
207.13843	0.8
237.14960	2.4
242.23734	0.7
257.19125	1.6
265.50626	0.7
275.20108	11.8
293.21133	6.2
396.27231	17.3
397.27652	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.3
56.05039	11.7
57.03439	1.3
58.06599	5.3
60.04525	1.4
68.05027	0.8
68.91221	0.8
69.07064	1.4
70.02954	1.4
70.06599	18.8
71.04998	1.0
71.49560	1.4
71.49912	1.0
72.08163	21.5
73.04028	1.1
73.08463	1.8
74.06086	18.3
79.05469	0.8
81.07064	1.0
84.04514	12.3
84.08147	15.4
85.02922	0.9
86.09713	14.7
87.05615	1.4
87.10010	1.1
88.03987	1.2
90.08622	0.8
91.05491	12.3
93.07058	1.1
95.04932	1.1
96.16777	0.8
98.06065	1.1
101.07147	19.5
102.05543	1.7
103.05515	1.3
107.04996	4.0
107.65543	0.8
110.07154	2.6
110.09675	0.8
112.11256	1.3
113.07130	2.1
114.34296	0.9
115.08682	1.0
116.07088	1.5
119.04958	10.8
120.08096	8.1
121.06512	3.1
121.08440	1.3
129.10254	8.2
130.05020	0.8
132.10175	2.6
134.06013	1.7
135.06831	11.4
136.07591	78.1
137.07968	1.2
140.07114	1.0
141.10075	0.8
146.05997	2.5
147.04379	1.2
148.07538	1.6
159.06799	1.0
163.03896	2.1
174.09158	15.0
176.10681	4.2
192.10181	15.8
193.09773	4.1
200.02016	0.8
202.08856	1.0
226.11899	1.5
237.12357	100.0
238.12698	1.3
265.11865	18.9
295.16464	5.6
396.17648	1.1
396.22699	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	395.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	11.1
55.01873	12.5
55.05510	29.0
57.03440	9.4
59.76520	3.1
64.49811	3.6
67.05514	57.5
69.03441	27.6
69.07095	16.3
71.04995	13.1
71.50736	5.5
72.08149	2.9
73.02922	5.8
79.05500	96.8
81.03423	36.7
81.07059	61.2
83.05011	6.3
83.08630	13.3
85.02911	10.2
85.05303	3.6
85.06554	4.0
91.05479	49.4
93.07050	100.0
95.04967	31.2
95.06072	4.1
95.08621	41.4
97.02902	54.6
97.06552	6.8
97.10189	5.5
99.04465	46.2
102.21177	3.1
105.04518	4.0
105.07046	41.3
107.08597	27.0
109.02872	26.8
109.06538	6.1
109.10167	23.7
111.11465	3.1
117.07050	14.6
119.08598	33.4
121.06493	4.6
121.10154	82.7
123.08037	5.8
123.11694	9.0
125.09640	4.7
127.03934	49.3
129.07014	5.9
130.07794	3.6
131.08598	18.4
133.10147	30.4
135.11693	24.4
137.09618	4.5
137.72186	3.1
139.11200	4.5
143.08559	6.5
145.05049	5.5
145.10143	27.0
147.11713	15.0
149.05957	3.3
149.09685	8.8
149.13213	5.6
151.11201	3.4
155.08656	4.4
157.10149	10.9
159.11682	17.4
161.09724	6.9
161.62677	2.8
163.11212	3.4
169.10199	3.8
171.11768	8.7
173.09732	5.7
173.13301	9.4
185.13306	3.6
189.12741	3.5
197.13321	3.9
213.16362	3.3
215.17981	14.5
233.18994	12.6
395.25540	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	395.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	4.0
53.03951	8.8
55.01870	10.9
55.05511	34.2
57.03436	14.9
57.07063	8.5
65.03938	4.2
67.05511	81.2
69.03442	32.3
69.07082	32.4
71.04998	10.9
71.08603	5.2
73.02918	11.8
73.90767	4.2
79.05065	6.9
79.05500	79.7
81.03425	36.2
81.07066	98.7
83.04996	9.3
83.08625	14.9
85.02905	26.3
85.06585	4.8
87.61706	4.3
89.06002	5.3
91.05489	78.9
93.07052	100.0
95.04967	18.0
95.08612	62.3
97.02906	14.1
97.06557	14.3
97.10161	6.2
98.20796	10.1
99.04474	9.8
99.08121	10.7
99.80077	3.7
103.03968	4.4
103.37799	3.8
105.07043	68.2
107.04965	11.7
107.08609	45.8
109.02881	5.1
109.06532	13.7
109.10160	25.2
111.04462	13.6
111.08072	9.7
115.05495	4.0
117.07014	34.4
119.08602	63.0
121.06512	12.4
121.10141	48.4
123.04443	8.2
123.08047	9.8
123.11711	7.9
125.09634	4.3
128.06268	7.9
129.06992	23.1
131.08574	49.8
133.06487	9.4
133.10139	54.1
135.04752	14.7
135.08080	8.8
135.11699	35.6
137.05966	5.2
137.09636	6.6
139.11174	4.9
141.06972	8.0
142.07704	4.6
143.08606	20.6
145.06479	7.6
145.10141	45.4
147.08054	11.0
147.11694	43.3
149.09605	15.2
149.13275	16.4
151.11226	6.6
155.08597	10.1
157.10139	18.6
159.08098	5.4
159.11681	29.2
161.09641	11.9
161.13289	12.7
163.11226	18.4
169.10159	15.1
171.11716	23.7
173.13222	21.2
175.11169	6.0
177.12782	5.2
183.11665	10.3
185.13266	8.2
187.11197	5.5
187.14848	5.4
189.12729	7.0
195.11890	6.1
197.13393	7.0
199.14903	5.2
201.12811	6.9
203.17891	6.2
211.11038	4.4
213.16417	18.1
215.17993	14.8
225.16386	4.8
227.17882	6.4
231.13962	5.2
231.17426	18.9
233.19025	17.1
243.17497	7.2
245.19046	6.9
247.20651	7.3
249.18535	11.0
257.18964	6.2
261.18484	6.6
273.18530	5.7
275.20142	32.2
281.18994	4.6
287.20087	6.9
299.20078	7.8
305.03668	4.4
313.21725	7.2
317.21198	9.6
323.20178	7.4
341.21118	23.4
359.22101	29.1
377.23352	23.2
395.24350	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59523	2.9
53.03939	9.1
55.01865	14.0
55.05516	30.7
57.03429	7.3
57.07071	8.9
65.03949	7.6
67.05508	97.8
69.03436	30.7
69.07070	33.6
71.05000	29.2
73.02939	3.5
76.72617	3.3
79.05070	5.2
79.05500	71.6
80.31937	2.7
81.03424	39.3
81.06594	6.0
81.07067	100.0
83.04971	13.8
83.08616	15.0
85.02922	23.0
85.06548	10.9
87.04431	3.2
89.06013	4.7
91.05495	76.0
91.06065	2.6
93.06483	5.4
93.07052	81.7
95.04974	25.3
95.08620	63.2
97.02886	17.4
97.06523	23.6
97.10142	8.3
98.06059	4.8
99.04443	6.8
99.08106	5.7
103.03942	5.5
105.07037	67.6
107.04971	8.9
107.08605	46.2
109.02873	6.5
109.06520	14.7
109.10176	31.5
111.04446	11.2
111.08083	9.5
113.06091	3.5
115.03948	4.3
115.05483	4.8
117.07034	31.2
119.07809	5.0
119.08588	56.8
121.06510	8.6
121.10149	47.3
123.04425	9.3
123.08054	10.0
123.11701	14.1
125.09634	3.8
126.77644	3.2
127.03947	8.2
127.07578	5.2
128.06204	5.8
129.05496	4.8
129.07002	22.1
131.04993	3.7
131.08582	41.3
133.06464	5.7
133.10127	52.3
135.08044	11.2
135.11697	29.1
137.05928	3.8
137.09608	11.8
141.06976	5.5
141.98251	3.0
142.07805	5.7
143.08577	17.7
145.04985	3.9
145.06454	6.6
145.10132	40.9
147.08090	5.5
147.11682	38.5
149.09607	10.7
149.13251	13.3
151.11182	4.3
155.08528	5.5
157.10130	23.1
159.08092	3.9
159.11729	27.9
161.09601	9.5
161.13229	16.9
163.11203	13.5
165.12769	7.8
167.08467	3.2
169.10101	11.8
171.11710	22.3
173.09621	7.0
173.13298	19.0
175.11177	9.1
175.14778	3.8
177.12775	8.3
181.15134	2.9
183.11662	9.4
185.13312	7.5
187.11171	7.3
187.14902	4.9
189.12708	10.4
189.16397	6.0
193.12134	3.2
196.12560	3.4
197.13254	7.7
199.14883	4.2
203.14217	3.8
203.18011	4.5
205.19548	3.3
207.13818	5.3
213.16386	10.6
215.17995	15.8
225.12779	5.9
227.17934	5.7
231.17506	13.6
233.18976	15.4
239.17735	4.9
245.19075	5.1
247.20580	6.3
249.18550	7.1
257.19012	5.4
259.99261	3.3
263.20105	5.7
275.20068	36.7
287.20001	4.3
291.19595	5.9
293.21097	11.2
295.20663	3.8
299.20050	6.0
306.27942	31.8
313.21524	5.0
317.21243	5.8
323.19919	4.4
341.21201	26.1
359.22134	25.6
377.23187	25.6
377.30557	7.1
395.24222	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19848	6.8
53.03936	7.1
55.01880	8.5
55.05520	40.7
57.03431	17.5
57.07078	28.3
67.05508	96.4
69.03449	33.3
69.07066	35.1
71.01373	8.9
71.04995	12.1
71.08630	16.7
71.33046	10.9
79.05499	76.7
81.03426	41.0
81.07064	100.0
83.04984	17.8
83.08636	23.3
85.02908	21.4
85.10185	9.6
87.97646	7.4
89.06046	8.1
91.05500	69.0
93.07053	80.4
95.04981	28.6
95.08615	84.0
97.02908	14.8
97.06538	16.3
97.10168	7.8
98.98473	21.3
99.04483	10.2
100.98903	10.4
103.03975	7.8
105.07047	65.5
107.04956	11.4
107.08621	45.0
108.73325	6.6
109.06524	18.9
109.10178	37.1
115.05374	8.5
117.07025	26.1
119.08591	58.6
121.06480	8.8
121.10163	46.1
123.04461	6.3
123.11723	16.0
125.09657	10.4
129.07016	16.7
131.08609	35.5
133.06471	7.8
133.10139	42.3
135.08110	19.0
135.11662	33.5
137.09685	7.5
143.08534	30.5
145.06462	9.2
145.10146	40.9
147.11664	43.1
149.09628	13.6
149.13269	13.5
155.01068	13.9
155.08546	10.3
156.01448	12.8
157.01401	10.3
157.10152	17.2
159.11732	42.0
161.09647	19.1
161.13341	9.2
163.11137	21.3
165.09186	6.7
169.10202	10.2
171.11720	18.4
173.13268	17.0
175.11237	14.3
183.11736	11.0
185.13304	12.8
187.11223	7.9
187.15001	7.7
189.12845	9.2
195.12083	8.3
201.12712	7.0
201.16426	7.5
213.16403	21.8
215.17908	9.9
231.17462	17.2
233.18900	12.0
237.16270	8.0
249.18420	7.1
252.98463	8.6
261.18671	8.3
275.20148	26.2
341.21194	29.3
359.22205	24.3
371.10217	8.5
377.23322	29.8
395.24243	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99105	2.6
53.03936	11.5
55.01864	10.8
55.05516	100.0
57.03430	7.6
57.07062	10.7
58.59737	2.1
65.03948	3.1
67.05508	62.5
67.98033	2.5
69.03443	18.7
69.07076	38.2
69.44102	12.2
69.44509	4.3
71.04977	10.2
71.08624	6.8
71.82701	2.8
72.96511	2.2
73.02900	2.9
73.06607	3.1
79.05073	4.3
79.05499	63.8
81.03425	21.1
81.06594	5.2
81.07059	87.0
83.04990	8.4
83.08624	55.8
85.02920	14.9
85.06538	10.0
89.06010	7.3
91.05496	46.2
93.06488	4.1
93.07052	64.5
95.04985	18.6
95.08609	56.4
96.87981	2.2
97.02876	8.5
97.06522	10.5
97.10175	6.0
99.04451	6.2
99.08115	18.7
105.07045	46.8
107.04945	6.1
107.08598	37.5
109.02878	4.6
109.06512	8.5
109.10156	21.3
111.04446	8.2
111.08077	5.5
115.07600	4.0
117.07004	16.3
119.08589	34.2
121.06497	4.2
121.10152	37.0
123.04447	4.2
123.08086	6.5
123.11679	9.2
125.09626	10.6
127.03953	4.5
128.06250	2.9
129.06995	11.9
129.09090	3.4
131.08583	27.5
133.06464	4.6
133.10141	36.1
135.04344	2.5
135.08038	6.4
135.11702	29.5
137.09618	5.9
140.67789	2.4
141.06934	3.8
143.08556	16.2
144.07320	2.4
145.04982	3.4
145.10153	28.6
147.08044	5.8
147.11703	29.0
149.09608	10.1
149.13271	14.7
151.11172	4.4
155.08521	5.3
157.10132	13.2
159.08102	5.9
159.11705	18.0
161.09615	5.5
161.13281	10.7
163.11192	8.3
163.14758	3.5
165.09117	3.7
165.12738	5.4
167.08508	3.6
169.10133	6.2
169.91457	2.6
171.07977	2.9
171.11725	13.8
173.09579	3.1
173.13271	9.0
175.11156	6.7
175.14752	2.6
177.12727	5.6
181.12215	2.7
183.11644	5.7
185.13243	8.6
187.14740	4.2
189.12737	4.9
191.10635	3.5
191.14299	4.6
196.12640	3.2
197.13347	3.7
201.12738	3.1
203.17850	2.7
203.35728	2.5
205.16020	3.3
213.16396	7.1
215.18024	12.6
227.17908	3.9
231.17439	8.8
233.19028	10.0
241.19522	5.8
245.19029	6.3
247.20576	4.2
257.19107	5.0
259.20566	5.1
266.90628	2.5
275.20102	21.1
277.21661	24.0
289.21600	3.5
295.22824	18.8
323.19913	4.8
341.21002	10.5
359.22189	16.5
361.60434	2.9
365.60095	2.7
377.23129	16.7
378.33167	2.6
395.24371	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.4
55.05512	1.0
56.05040	3.9
60.04511	0.7
63.19706	0.4
67.05511	0.7
68.46323	0.4
69.03444	0.8
69.07043	0.4
69.37460	0.4
69.39552	3.1
70.02956	0.5
70.06598	3.2
72.08170	4.0
74.06087	1.6
81.03411	0.5
82.06586	0.9
83.06123	0.4
84.04504	2.2
84.08152	100.0
85.02910	1.1
85.06546	1.4
85.08472	0.7
86.09721	1.9
90.50738	0.4
91.05465	1.1
91.74966	0.4
93.07069	0.5
95.06113	0.4
95.71950	0.4
96.08145	0.5
98.20785	0.9
98.97618	0.8
100.63416	0.4
101.00896	1.6
101.10786	3.7
102.05546	0.6
102.09162	0.6
103.05448	0.6
105.07057	1.3
110.07187	1.0
111.09239	1.0
112.07621	1.2
112.08775	0.5
113.07121	0.5
116.07156	0.4
116.98605	0.5
117.05511	0.7
119.01953	2.0
120.08117	20.7
121.08490	0.6
127.04003	0.6
129.10252	52.7
130.05014	1.3
130.10623	0.4
131.01930	1.2
133.03462	0.7
136.06256	0.7
136.07578	2.0
139.08717	0.5
143.01939	0.7
145.03508	2.4
147.07646	1.0
155.01854	0.8
159.05070	0.7
161.03014	0.7
163.04263	0.4
166.05396	1.3
169.03508	1.4
171.05040	1.0
173.03052	0.7
185.02948	0.5
186.12793	2.1
187.04521	2.2
199.04549	0.6
203.05214	1.0
221.05115	0.9
231.03607	0.8
231.14944	3.4
235.87682	0.4
237.02841	0.5
249.12384	0.9
258.16101	1.5
259.14502	1.5
261.08325	0.7
267.13297	3.3
275.02551	1.8
276.17111	6.9
279.09531	1.1
287.02536	0.7
293.03732	1.0
294.18246	0.9
297.05823	0.7
307.63431	0.5
310.31534	0.5
350.66861	0.5
377.21890	1.9
395.22992	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	395.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.1
55.01878	5.3
55.05493	7.3
57.03437	10.3
60.05311	3.6
61.02910	5.0
67.05515	6.0
69.03437	25.0
69.07064	5.1
69.73392	3.7
69.73711	22.5
71.04984	11.0
81.03426	34.7
81.07059	9.6
83.04987	22.1
85.02914	100.0
87.00843	31.4
88.04037	3.7
91.05491	6.1
91.64826	3.3
93.07046	7.8
95.04987	10.0
95.08596	6.7
97.02903	14.6
99.04430	9.8
99.49801	3.4
103.03947	4.3
105.01877	29.5
107.04932	5.3
107.08608	4.5
109.02886	20.8
111.04449	7.6
113.06018	5.0
119.08591	4.6
121.10180	4.6
127.03925	37.7
129.01895	5.6
129.05476	4.7
130.70502	3.5
133.10118	4.6
134.04477	4.9
135.04405	5.3
137.05968	3.8
145.04997	6.7
159.03020	3.4
218.50290	4.4
224.06656	5.2
231.04887	7.3
237.07538	9.5
315.10779	4.1
395.25168	4.7
410.18896	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	395.132
Annotation	Jasmolactone B
Peak:m/z	Relative Intensity
56.05029	0.8
58.06591	1.3
62.54896	0.6
65.43430	0.8
69.03409	0.7
69.49628	4.4
70.06596	5.1
70.47873	0.7
71.29443	0.8
72.08157	8.6
74.06074	1.2
76.07651	0.8
84.04503	3.0
84.08142	8.6
85.02895	0.9
85.71076	0.6
86.09689	2.1
87.05566	1.0
88.03965	1.5
91.05494	1.7
98.97594	1.8
101.07162	1.0
110.07203	1.0
112.11248	1.3
120.08121	12.2
121.02899	1.1
129.10278	4.3
130.05017	2.1
130.06554	1.6
131.60365	0.9
133.06093	2.1
136.07591	2.5
139.80797	0.6
147.07664	1.9
159.70190	0.7
162.04137	0.9
165.05466	1.1
176.10712	0.9
177.00703	0.6
182.08136	1.0
221.12936	1.5
224.16071	0.7
234.12439	0.8
235.10788	3.2
249.09990	0.7
250.60310	0.6
259.06665	1.1
296.12323	0.7
335.06622	1.4
350.38406	0.8
351.70349	0.9
377.85666	0.7
395.13190	100.0
396.13593	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	395.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.1
54.55750	3.7
55.05498	9.2
57.03447	8.4
63.70502	3.5
67.05495	13.1
69.03433	27.3
69.07065	7.8
71.04982	11.4
71.38474	7.1
72.08167	6.4
72.77943	4.8
73.02952	4.7
74.02441	17.4
79.05484	9.7
81.03437	40.6
81.07057	18.0
83.04988	16.6
85.02915	100.0
87.00829	25.4
88.03991	16.9
89.04323	5.4
91.05481	6.7
93.07047	13.2
95.04963	10.6
95.08604	20.4
97.02876	14.9
97.06523	4.7
99.04426	7.6
100.84885	4.0
101.04645	4.4
103.03942	6.9
105.01867	27.7
105.07019	5.0
107.08592	9.3
109.02882	22.4
109.10157	5.9
111.04465	12.7
116.03456	11.4
119.08559	6.3
123.08036	5.8
127.03948	40.1
129.05501	10.7
134.04492	34.1
145.04971	4.8
147.06491	4.5
178.34982	3.9
209.80695	4.2
231.05121	5.5
237.07693	11.9
262.22485	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	394.245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	7.5
56.05024	2.6
58.06582	2.8
59.07379	1.2
60.04507	1.6
60.05642	2.2
64.53658	0.7
69.07053	1.2
70.06597	15.2
71.49722	1.3
72.08156	59.2
73.08484	1.4
74.06065	1.2
83.04965	0.7
84.04514	7.4
84.08144	12.7
85.02905	1.5
85.08479	1.3
86.09710	8.2
87.05625	1.0
89.10796	1.1
91.05460	3.9
92.35429	0.8
93.07032	1.1
95.06089	1.1
97.07660	1.8
98.06039	1.3
102.05517	2.5
103.05459	3.7
110.07182	1.6
110.09686	0.9
112.08767	1.4
112.11241	2.5
112.66927	0.8
114.10300	21.9
115.08699	3.9
116.07056	1.1
118.08660	39.5
119.04956	9.8
120.08110	98.9
121.08471	1.5
126.26188	0.8
129.10255	6.3
130.05020	2.6
130.10609	0.9
131.12926	4.2
135.42450	0.7
136.07643	1.4
147.04413	80.1
148.04932	1.4
148.06024	6.0
150.28529	0.8
157.10884	0.9
159.07657	2.2
163.03963	1.6
173.12834	2.4
174.43558	0.7
176.99951	0.8
191.11798	2.7
207.06822	0.8
217.13385	4.1
218.11784	4.9
219.14938	32.9
220.15137	1.1
235.14417	1.2
247.14532	8.0
248.09387	0.9
260.13971	8.4
260.16534	1.2
277.16608	100.0
278.16895	3.5
295.12921	6.8
331.45490	0.8
394.17734	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27145	0.8
56.05025	0.9
60.49246	0.7
69.07054	1.7
69.54892	3.9
70.02962	2.1
70.06587	5.1
70.07428	0.9
72.08160	3.0
77.03928	0.8
84.08144	2.1
86.09713	24.2
86.63274	0.7
88.03996	7.4
91.05483	10.8
93.07046	1.8
98.02431	3.3
103.05464	5.8
110.07206	3.1
119.07345	1.8
120.08117	100.0
121.08454	3.0
129.10240	1.4
130.06538	26.4
130.88380	0.7
131.11176	0.7
132.10217	6.2
143.08228	1.4
144.08095	7.5
146.83234	0.7
147.09181	1.2
148.00702	0.8
156.07686	1.0
172.07584	8.7
175.07187	1.2
175.08685	19.8
175.92233	0.6
176.06981	1.0
190.08659	9.9
191.07063	0.7
200.07063	1.8
217.09804	6.2
218.08173	2.4
233.16562	1.3
235.10794	80.9
236.11150	1.3
245.09151	1.2
263.10287	10.0
276.58963	0.8
279.17068	2.1
316.77539	0.7
330.17960	0.7
376.19006	0.8
394.21722	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1979
Annotation	Asp Phe Leu
Peak:m/z	Relative Intensity
50.86388	0.4
56.98906	0.5
70.02953	3.5
70.06599	3.7
71.20197	1.2
72.08164	1.7
82.95580	0.5
84.04507	0.7
84.08147	0.9
85.08454	0.5
86.09716	15.2
86.10249	0.7
88.03997	7.2
91.05491	10.7
91.06038	1.0
93.07061	1.1
95.08599	0.6
98.02410	2.6
103.05499	4.1
106.88961	0.5
110.07214	0.5
116.07109	0.6
117.21339	0.5
119.07329	2.6
120.08118	100.0
121.08476	2.0
129.07005	0.6
129.10252	0.6
130.06535	27.9
132.10216	4.5
144.08083	7.9
147.09238	0.9
158.06015	0.9
160.81987	0.5
172.07596	8.5
175.08702	17.8
176.07112	1.3
190.08653	9.0
200.07133	1.3
201.12392	1.3
217.09796	5.6
218.08147	2.9
235.10797	89.4
236.11145	2.2
236.28555	0.5
245.09293	2.0
263.10321	12.4
279.17017	3.2
309.77304	0.5
329.88376	0.5
330.17847	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1974
Annotation	Glu-Phe-Val
Peak:m/z	Relative Intensity
55.01878	0.8
55.05511	4.6
56.05030	2.9
61.01139	0.7
67.05489	1.0
69.07060	1.5
69.21017	0.8
69.53676	4.8
70.06606	8.5
72.08161	47.6
73.08494	1.8
73.61680	0.7
76.32543	0.6
77.03895	0.6
78.58149	0.6
81.07045	1.5
84.04514	13.7
84.08146	7.0
85.02914	1.1
86.09712	37.1
87.04436	0.8
91.05518	3.9
93.07053	1.5
95.06073	0.8
98.21410	1.0
102.05547	7.5
103.05484	4.7
104.05298	1.3
109.18167	0.7
110.07179	1.4
112.08704	0.9
112.11244	1.6
112.79440	0.7
115.08723	1.0
118.08678	9.4
119.04919	0.8
120.08114	100.0
121.08451	3.8
126.14160	0.8
128.10693	1.0
129.10231	3.0
136.07669	0.7
137.06042	1.9
138.09148	1.9
143.11823	1.5
144.12204	0.9
147.04408	0.7
148.06113	0.8
155.11826	1.1
156.10236	1.9
166.08656	9.4
167.08945	0.8
169.13435	1.9
171.11238	1.2
173.12946	0.9
179.10713	1.2
183.11331	6.2
186.09114	4.5
197.11737	1.8
201.12338	11.4
211.10812	1.5
213.16106	0.7
217.13770	1.2
219.15071	1.4
224.11107	1.2
229.11868	3.9
231.11324	7.4
233.16515	19.5
247.12839	3.3
249.12291	5.1
259.10938	1.7
261.16052	5.2
262.05176	0.7
265.15527	1.6
277.11957	1.1
277.16812	0.8
330.62912	0.7
376.18814	0.8
384.66937	0.7
394.21335	10.4
395.21811	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1978
Annotation	Val Phe Glu
Peak:m/z	Relative Intensity
53.23718	0.4
53.59439	0.5
55.05517	6.2
56.05035	0.9
57.05805	0.6
69.07062	0.8
69.71153	2.8
70.06588	3.4
72.08162	50.5
77.39668	0.5
84.04528	3.8
84.08154	4.5
86.09730	4.3
91.05492	0.6
93.07039	1.0
102.05576	2.3
103.05509	2.4
116.75259	0.5
118.08685	0.5
119.68607	0.5
120.08115	100.0
121.08421	1.2
129.10258	3.0
130.04990	2.6
139.08720	0.5
140.69186	0.4
147.04437	1.1
148.06058	5.9
196.55347	0.4
203.73457	0.5
219.14949	30.9
220.15262	1.1
247.14479	10.5
277.16473	1.2
295.12930	10.9
395.07782	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1976
Annotation	Glu-Phe-Val
Peak:m/z	Relative Intensity
55.05508	5.6
55.36406	0.7
56.05043	4.5
57.03441	0.7
57.05800	0.9
61.01146	0.9
67.05518	0.8
69.07077	1.9
70.06597	7.8
70.17599	2.7
72.08160	56.7
73.08494	0.8
74.06075	1.8
79.56563	0.7
81.07113	0.7
84.04506	18.0
84.04977	1.2
84.08152	6.2
85.02907	0.8
86.01810	0.7
86.09708	30.0
87.04438	0.8
87.10042	1.3
88.03985	0.8
91.05487	3.6
93.07040	2.0
95.04898	0.6
101.07137	1.3
102.05544	9.1
103.05458	4.2
104.05334	2.4
110.07177	1.3
112.11252	0.8
115.87406	0.7
116.07085	0.8
118.08665	11.5
120.08113	100.0
121.06565	0.7
121.08440	2.7
129.10245	4.0
134.09688	0.8
137.05997	1.8
138.09146	3.2
139.08623	0.7
143.11809	2.0
156.10210	2.2
166.08650	12.2
169.13377	1.7
171.11351	0.9
173.12930	3.4
179.10698	1.1
183.11308	6.9
185.16566	1.0
186.09113	5.4
197.11801	1.9
201.12355	13.8
202.04933	0.9
204.10237	1.4
211.10823	2.2
217.13742	2.1
219.14922	0.8
222.20073	0.6
225.80257	0.9
229.11835	6.2
231.11330	8.6
233.16508	15.0
247.12921	2.3
249.12360	7.5
259.10822	1.9
261.15958	3.4
265.15512	1.7
277.11835	3.0
394.14038	0.8
394.15411	0.9
394.21274	15.9
394.25909	0.9
395.21686	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1976
Annotation	Leu-Phe-Asp
Peak:m/z	Relative Intensity
55.01847	0.5
55.05505	1.4
56.05029	2.1
58.06580	0.7
60.04514	0.8
61.01130	0.8
69.03423	0.6
69.07059	1.3
70.06604	5.8
71.50008	0.6
72.08157	9.0
74.06110	0.6
81.07058	0.6
84.04509	3.5
84.08128	4.6
85.02934	0.9
86.09710	58.6
88.03996	0.7
91.05479	2.4
93.07054	1.5
95.04995	0.6
103.05468	3.2
104.05309	1.3
105.07030	0.6
106.04931	0.6
110.07159	1.0
110.09686	0.5
112.11243	0.6
114.05591	0.6
116.07076	0.7
117.49428	0.5
119.04934	1.4
120.08112	100.0
121.06499	0.8
121.08430	2.2
125.45592	0.4
129.10260	2.1
130.10533	0.5
134.04477	0.7
136.07590	9.2
140.07045	0.5
166.08641	1.3
169.13394	0.7
183.11237	0.7
184.56102	0.5
186.09227	0.5
201.12306	1.3
217.13731	1.8
229.11897	0.6
233.16501	33.5
234.16747	0.9
249.12241	0.5
249.15948	4.4
255.11375	0.7
261.15988	6.3
266.18552	1.0
277.15604	1.5
281.11319	8.5
394.23248	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	394.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	13.0
58.99585	16.4
60.27843	1.5
61.01154	3.9
62.99081	17.0
67.05508	6.0
69.07076	83.3
70.02966	1.8
70.06596	1.7
70.83600	4.1
72.08165	2.4
73.01149	1.9
74.00675	18.7
76.02238	2.1
76.04012	4.1
83.06114	4.9
84.04511	60.1
85.01115	2.2
86.99043	9.5
87.02708	2.1
88.02247	11.3
93.07073	6.8
99.05591	3.6
101.04256	22.9
104.81519	1.5
109.85236	1.8
110.07996	1.6
112.04005	14.4
116.01694	46.8
116.02515	2.7
117.03726	24.2
119.04484	2.7
119.05295	36.8
120.08092	1.7
127.05799	13.1
129.06619	15.6
130.05014	57.1
136.22041	1.5
144.01141	20.2
144.08447	5.3
145.06873	37.5
162.02222	88.6
162.09471	12.8
173.06396	2.9
174.02278	4.2
177.03294	5.5
189.60774	1.6
191.07513	2.5
192.92870	1.5
230.08492	55.2
247.11191	4.9
248.09547	100.0
249.09793	2.8
249.72089	1.7
258.62759	1.5
265.12180	33.6
270.74454	1.6
278.55240	1.6
295.17706	1.6
319.13245	29.4
331.13162	2.3
376.15753	1.5
377.13559	1.7
394.16522	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	393.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31326	1.5
51.01461	1.4
51.14575	1.4
53.01028	1.4
53.03955	2.3
55.01874	2.8
55.05517	79.1
57.03425	7.1
57.07079	38.6
65.03946	1.9
67.05511	40.8
69.03433	2.8
69.07073	17.7
69.47432	10.8
71.05000	29.3
71.08637	25.7
79.05493	21.1
81.07062	48.8
83.04980	4.4
83.08624	52.3
85.02884	1.9
85.06562	10.3
85.10172	11.4
91.04960	2.7
91.05479	19.3
93.07050	13.7
95.04983	9.0
95.08614	34.9
97.06540	9.0
97.10159	7.3
98.98475	63.6
98.99123	3.6
99.11733	2.4
105.07035	19.5
107.04931	2.5
107.08632	10.5
109.06501	6.9
109.10175	13.9
111.08052	2.1
113.00025	4.4
114.66834	1.7
116.99309	1.6
117.07029	5.4
118.61836	1.7
119.08582	13.0
121.06505	2.2
121.10144	7.0
123.08067	5.5
123.11734	8.7
123.15996	1.6
127.07578	4.0
129.06995	4.3
131.08571	5.5
133.10100	10.4
135.11707	4.0
137.09642	4.1
137.13300	2.2
142.07787	2.0
143.08577	1.8
145.10107	8.5
147.11705	12.3
149.09628	2.5
151.11218	2.1
155.01050	100.0
156.85286	1.6
157.10139	5.2
159.11671	5.8
161.13268	5.1
165.12730	3.4
171.11607	2.9
173.13329	2.7
175.11253	1.8
175.14726	1.8
183.11749	1.9
187.14943	1.8
189.12762	2.3
207.13835	4.1
213.16135	1.9
239.17929	2.8
239.23685	7.0
255.20166	1.7
257.18997	3.5
263.20010	2.3
275.20053	21.9
275.53519	1.9
276.19760	1.7
293.21133	21.0
306.39682	1.8
375.28830	3.7
393.28595	1.7
393.35370	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	393.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	25.6
55.22692	1.9
57.07076	21.0
58.09189	1.9
67.05515	31.7
69.07072	48.0
70.08468	10.4
71.08633	12.6
78.58495	2.1
79.05496	15.4
81.07063	83.1
83.08640	21.3
85.10187	8.3
89.06046	4.1
91.05483	22.4
93.07044	30.1
93.07583	3.8
95.08609	40.5
97.10163	13.8
98.98479	8.1
105.07036	29.8
107.08610	27.2
109.10169	27.3
111.11747	5.7
117.07016	15.7
119.08573	19.1
121.10149	19.6
123.11679	13.6
128.06230	3.1
129.07033	10.5
130.07785	4.3
131.08569	21.5
133.10139	32.9
135.11748	7.4
137.13245	8.7
141.06927	2.1
142.07779	7.2
143.08638	11.6
144.09303	2.2
145.10127	49.5
147.11702	27.6
149.13272	9.5
151.14845	4.1
155.01079	13.1
155.08571	5.8
157.10138	47.9
159.11700	35.8
161.13278	7.2
163.14804	7.0
169.10133	5.1
171.11649	13.2
173.13290	12.5
175.14818	3.7
177.16446	3.0
183.11690	9.2
185.13255	11.2
187.14842	8.3
189.16373	3.2
195.12325	3.1
197.13239	5.8
199.14850	9.0
201.16335	5.0
211.14839	9.3
213.16454	5.8
225.16371	4.0
239.17975	5.1
248.15619	2.1
253.19522	9.2
255.21040	2.6
267.21204	2.3
269.22644	4.1
281.22623	5.1
287.27371	2.9
295.24219	12.4
309.25809	4.4
345.36212	2.2
346.91394	2.3
393.35181	100.0
394.35672	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31326	1.5
51.01461	1.4
51.14575	1.4
53.01028	1.4
53.03955	2.3
55.01874	2.8
55.05517	79.1
57.03425	7.1
57.07079	38.6
65.03946	1.9
67.05511	40.8
69.03433	2.8
69.07073	17.7
69.47432	10.8
71.05000	29.3
71.08637	25.7
79.05493	21.1
81.07062	48.8
83.04980	4.4
83.08624	52.3
85.02884	1.9
85.06562	10.3
85.10172	11.4
91.04960	2.7
91.05479	19.3
93.07050	13.7
95.04983	9.0
95.08614	34.9
97.06540	9.0
97.10159	7.3
98.98475	63.6
98.99123	3.6
99.11733	2.4
105.07035	19.5
107.04931	2.5
107.08632	10.5
109.06501	6.9
109.10175	13.9
111.08052	2.1
113.00025	4.4
114.66834	1.7
116.99309	1.6
117.07029	5.4
118.61836	1.7
119.08582	13.0
121.06505	2.2
121.10144	7.0
123.08067	5.5
123.11734	8.7
123.15996	1.6
127.07578	4.0
129.06995	4.3
131.08571	5.5
133.10100	10.4
135.11707	4.0
137.09642	4.1
137.13300	2.2
142.07787	2.0
143.08577	1.8
145.10107	8.5
147.11705	12.3
149.09628	2.5
151.11218	2.1
155.01050	100.0
156.85286	1.6
157.10139	5.2
159.11671	5.8
161.13268	5.1
165.12730	3.4
171.11607	2.9
173.13329	2.7
175.11253	1.8
175.14726	1.8
183.11749	1.9
187.14943	1.8
189.12762	2.3
207.13835	4.1
213.16135	1.9
239.17929	2.8
239.23685	7.0
255.20166	1.7
257.18997	3.5
263.20010	2.3
275.20053	21.9
275.53519	1.9
276.19760	1.7
293.21133	21.0
306.39682	1.8
375.28830	3.7
393.28595	1.7
393.35370	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	393.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01610	2.7
51.02365	2.7
53.03938	9.5
55.01860	4.6
55.05505	23.9
57.03433	4.4
57.06830	2.6
57.07079	32.2
61.57570	2.2
65.03933	4.9
67.05508	39.8
69.03411	3.2
69.07072	27.2
70.10338	11.7
71.04978	3.0
71.08620	20.0
73.64260	2.3
79.05495	40.5
81.07058	63.5
83.04981	6.3
83.08611	15.5
84.53258	2.3
85.06573	4.4
85.10178	10.2
91.05489	56.1
93.06487	5.0
93.07048	74.3
94.07394	3.1
95.04974	57.9
95.08612	67.2
97.06516	12.7
97.10172	7.6
98.98472	51.3
103.05435	4.1
105.04491	4.2
105.07036	100.0
107.08601	51.1
109.06527	13.9
109.10165	30.1
111.08114	2.7
112.99998	2.6
115.05421	5.5
117.07026	24.7
119.08587	91.9
121.06520	16.9
121.10154	34.7
123.08096	5.7
123.11703	15.7
128.06241	7.8
129.07030	16.8
130.07788	9.0
131.08562	39.0
132.09360	3.4
133.10149	46.3
135.08043	7.6
135.11693	20.1
137.09665	3.5
137.13171	3.5
141.06979	9.0
142.07759	20.8
143.08568	30.3
143.76408	2.6
144.09329	6.1
145.10139	67.9
146.10635	3.4
147.08090	3.0
147.11676	19.2
149.09679	5.6
153.06952	4.8
154.07765	4.4
155.01045	74.5
155.08517	11.0
156.09378	15.7
157.10143	56.5
158.10825	5.5
159.08168	2.5
159.11711	43.2
161.09651	18.5
161.13271	6.8
163.11176	6.8
163.14793	2.3
166.07912	2.8
167.08690	3.1
168.09372	4.9
169.10138	21.4
170.10878	6.6
171.08122	2.3
171.11705	26.6
172.12424	2.8
173.09651	4.3
173.13264	23.9
175.11156	11.7
175.14864	14.5
175.16141	3.0
179.08603	6.5
181.10085	9.3
182.10881	5.3
183.11690	17.4
184.12495	2.7
184.80321	2.4
185.13254	7.3
187.11174	8.1
187.14835	10.5
193.10115	5.1
194.10863	3.2
195.11691	12.3
196.12556	3.7
197.13301	14.9
198.13841	3.0
199.11346	2.6
199.14836	10.4
201.12656	5.0
201.16386	11.5
207.11755	5.1
208.12437	3.6
209.13277	13.3
211.11292	2.5
211.14822	9.7
213.12883	3.2
213.16351	3.3
220.12411	4.0
221.13246	5.9
223.14839	8.6
225.16386	4.9
227.14279	2.8
235.14807	3.8
237.16556	3.0
239.14117	4.0
239.17996	3.8
239.23647	5.0
249.16295	3.3
251.17917	2.5
265.19458	2.8
271.20599	3.8
375.26569	3.6
393.27948	13.3
393.35269	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	9.6
57.03434	4.7
57.07082	37.2
67.05510	18.2
69.07079	11.5
69.28041	9.5
71.08633	26.4
79.05512	5.2
81.07064	24.0
83.04992	1.5
83.08621	14.5
85.10181	14.0
91.05470	6.1
93.07053	8.5
95.04973	4.6
95.08615	30.9
97.06549	1.9
97.10187	7.1
98.98473	66.9
103.57056	1.0
105.07033	6.9
107.08617	4.8
109.06490	1.7
109.10172	17.4
111.11724	2.0
117.07026	4.8
119.08601	7.0
121.06516	2.3
121.10168	2.5
123.11713	8.4
129.07048	1.7
131.08580	5.2
133.10136	5.5
135.08003	1.4
137.13249	2.2
142.07788	1.8
143.08566	3.3
145.10118	5.4
147.11699	1.9
155.01054	100.0
155.08553	2.4
157.10136	6.8
159.08044	1.3
159.11725	4.2
165.16461	1.5
169.10136	2.5
171.11736	2.8
173.13280	2.3
175.14928	1.7
181.10135	1.2
183.11681	1.7
185.13184	1.7
187.14740	1.4
195.11803	1.4
197.13196	1.2
199.14731	1.2
209.13322	2.0
213.16490	1.6
239.23737	7.1
393.23364	1.3
393.27899	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2135
Annotation	Leu-Phe-Asn
Peak:m/z	Relative Intensity
54.11673	0.8
55.05502	1.5
55.37289	0.7
56.05031	0.8
69.03445	0.8
69.07066	2.4
70.02600	0.9
70.02949	4.0
70.06601	4.9
70.81213	2.3
72.08160	5.2
73.97140	0.8
79.05494	1.1
81.07035	1.0
84.08161	4.1
85.02937	1.1
86.09717	25.7
87.05588	6.9
88.03992	2.6
91.05492	13.1
93.07076	2.1
95.05003	1.0
96.08195	0.7
98.02438	5.6
103.05476	4.6
105.07024	3.7
117.07074	1.1
120.08118	100.0
122.28329	0.7
128.06163	0.9
129.07089	1.0
129.10277	2.5
130.06535	25.9
131.04851	1.0
132.10210	2.7
143.11806	0.9
143.89543	0.9
144.08104	2.8
146.09671	1.1
147.09177	1.3
155.11702	1.0
157.06465	1.1
158.06007	1.4
165.92088	0.8
166.08708	1.2
172.07594	10.2
175.08681	13.8
182.06000	2.0
183.11412	0.8
183.76390	0.8
189.10262	2.7
200.07144	5.1
200.13956	3.7
205.47279	0.9
216.11394	1.1
217.09772	10.7
234.12392	51.9
234.90402	0.9
245.09268	1.8
262.11923	11.2
262.14514	1.5
271.14243	1.4
279.17111	5.0
289.15778	1.0
313.15378	1.2
317.15186	1.1
330.17990	1.0
359.16037	4.3
361.17441	0.9
372.62723	0.9
375.20004	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2133
Annotation	Leu-Phe-Asn
Peak:m/z	Relative Intensity
55.01865	0.9
55.05509	10.4
55.71852	0.9
56.05018	4.0
57.02175	0.9
57.05812	1.2
57.66191	0.8
60.04515	1.1
61.01136	1.2
61.16130	0.9
63.25670	1.0
69.03419	1.1
69.07056	2.3
70.06593	15.9
71.06918	1.6
72.08157	100.0
73.08479	0.9
74.02405	1.1
74.06055	1.1
79.05489	1.5
83.06099	1.8
84.04506	8.2
84.07687	1.5
84.08147	11.9
85.08453	1.1
86.09709	27.1
87.05579	1.1
87.10052	1.2
88.04012	1.5
91.05476	4.4
93.07052	1.3
95.04908	1.5
95.06100	1.7
96.08141	1.7
97.06506	2.5
97.10175	1.0
98.06097	1.1
98.09713	1.8
100.07609	1.3
101.07127	2.8
102.05531	3.3
103.05457	2.7
104.05302	1.3
106.04884	1.5
107.04961	1.3
110.07174	1.9
110.09700	1.5
112.08742	1.8
112.11246	2.5
116.07105	3.9
118.08659	2.9
120.08111	92.0
121.08462	1.9
128.07076	2.4
129.06636	2.8
129.10249	5.6
129.13866	1.3
131.04968	1.2
132.10190	1.3
133.06100	1.4
136.07607	1.7
138.09169	1.1
143.08540	1.2
143.10768	1.2
143.11800	23.1
149.05974	1.8
166.08658	35.2
171.11285	21.9
177.10260	11.2
182.12939	2.2
183.11272	3.4
186.09332	1.1
201.12364	3.5
203.98314	1.0
205.09831	1.6
221.31223	1.0
223.10789	29.1
228.13419	8.9
231.11272	1.8
233.16531	11.3
247.12769	1.4
249.12381	1.6
254.13876	1.5
255.14272	1.2
261.15976	3.0
294.14413	5.4
297.66544	1.2
323.11731	1.2
393.20905	75.2
394.21265	2.1
416.34955	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10068	1.0
54.80704	1.0
56.05024	1.7
60.04527	5.1
65.50807	1.0
69.03429	2.3
70.06601	5.6
71.49549	1.3
72.08138	3.3
73.06546	1.2
77.00918	1.5
82.99842	3.2
84.04501	2.3
84.08136	2.9
85.02903	1.2
86.09712	14.8
87.05566	2.2
97.01389	2.0
97.02927	1.4
98.97569	1.7
101.00896	22.7
102.05571	1.7
103.02461	2.1
106.05035	1.6
110.07188	2.0
113.00868	13.3
115.02448	7.2
118.08651	1.3
119.01934	22.5
120.08083	1.6
121.01644	1.1
125.00848	1.5
125.08871	1.0
127.02387	2.7
129.03969	5.0
131.01918	26.9
131.05563	10.4
133.03465	6.9
137.00844	3.5
143.01909	51.2
144.02017	1.5
145.01677	2.0
145.03468	11.0
147.01433	1.4
147.05038	5.7
149.06619	9.1
155.01913	27.9
155.05508	2.9
156.02715	2.1
157.03494	3.3
159.05031	4.5
161.02974	42.9
163.02774	2.6
167.02031	1.4
167.05548	2.6
169.07161	2.5
171.05014	3.3
173.02988	16.8
173.06610	36.4
173.12814	7.9
174.06714	1.2
175.04526	2.5
177.06114	6.0
178.04958	1.6
185.02982	2.1
185.06613	40.0
186.06755	1.4
187.04451	1.9
187.08191	6.8
191.07683	13.4
193.08228	4.3
197.06587	2.3
199.08180	2.8
200.07567	1.1
201.02615	1.3
201.06116	2.6
201.12332	1.6
203.04045	9.3
203.07645	21.5
204.07687	1.2
205.09196	3.0
209.06604	2.1
215.07674	13.7
217.09224	3.0
219.07153	1.9
221.05064	24.4
227.07689	5.9
231.07251	1.2
233.08733	4.8
243.45665	1.3
245.08919	1.8
257.08780	4.7
261.08099	1.1
266.41937	1.1
273.08176	1.3
275.09753	56.1
276.10110	2.1
279.09415	2.5
293.10818	100.0
294.10959	4.3
303.05917	1.1
316.12296	2.7
375.11450	3.4
393.12457	27.0
410.06509	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79129	1.1
55.05515	33.0
55.53967	1.1
57.07066	1.9
67.05505	9.3
69.03446	2.5
69.07079	8.5
70.84891	3.2
75.30074	1.2
79.05490	6.9
81.03415	1.4
81.06656	1.4
81.07065	16.5
83.04993	1.5
83.08626	91.0
85.02895	4.6
91.05482	8.2
93.07049	23.4
95.08615	18.3
97.02823	1.1
97.06541	1.5
99.04469	1.4
105.07042	14.6
107.08601	10.6
109.06515	3.5
109.10165	9.1
111.08090	34.1
111.11713	1.7
113.09650	2.8
117.07000	4.0
119.08598	8.0
121.06532	1.4
121.10173	6.3
123.11734	5.9
128.06184	2.4
129.07004	14.1
131.08591	8.9
133.03960	1.1
133.10132	6.1
135.11690	4.6
139.11217	2.0
141.06976	4.2
142.06778	1.6
142.07796	19.2
143.08548	8.2
145.10144	7.9
147.11667	6.7
149.02377	2.4
149.13315	1.7
153.07011	2.3
155.08566	39.3
156.09323	1.3
157.10144	83.9
159.11703	13.2
161.13261	3.2
167.08568	3.3
168.09315	3.1
169.10147	13.0
171.11696	11.0
173.13287	4.0
175.14830	2.0
177.72067	1.3
179.08612	2.3
180.09341	2.0
181.10088	8.4
182.10942	2.3
183.11703	15.3
185.13264	5.3
186.21472	1.2
190.59840	1.2
193.10110	4.1
194.10904	1.7
195.11719	14.7
196.12427	2.0
197.13341	12.5
199.14818	1.5
201.16380	1.6
205.10104	1.4
206.10959	1.3
207.11699	3.6
209.13261	11.9
211.14743	6.7
213.16356	3.8
215.17926	4.7
219.11679	2.1
220.12468	2.0
221.13271	4.8
222.14063	1.3
223.14867	6.9
225.16405	3.8
227.17964	2.8
229.19458	2.4
233.13322	3.1
235.14832	3.7
237.16417	7.3
239.17906	6.2
241.19470	1.6
247.14886	2.5
249.16338	9.3
250.17038	1.7
251.00261	1.2
251.17964	22.4
253.19588	3.3
261.16324	1.7
263.18024	1.9
265.19562	1.6
269.18973	1.5
277.19614	2.9
279.21021	3.0
281.22607	3.1
289.19571	3.1
291.21091	6.8
295.20709	1.3
303.21164	2.5
307.20615	6.8
309.22211	7.7
319.24551	1.4
321.22321	6.8
333.25314	1.6
335.23679	4.9
337.21628	1.4
355.22726	1.3
373.29037	7.1
391.24936	7.9
391.29916	100.0
392.30212	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	391.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.2
55.05500	11.0
57.07079	5.0
59.07460	2.3
67.05495	11.5
69.03423	5.9
69.07083	11.8
69.72961	2.6
69.93790	11.2
71.08620	2.5
79.05502	17.8
80.16856	2.3
81.03426	4.5
81.07062	31.2
83.04956	4.2
83.08628	7.5
86.09688	3.2
87.04476	4.5
89.06002	2.8
91.05488	22.8
93.06570	3.3
93.07058	35.2
95.04979	33.9
95.08612	15.3
97.06506	4.8
97.10179	3.3
98.20590	2.6
103.03947	3.1
105.07048	43.6
107.08589	19.6
109.06518	8.9
109.10162	13.4
115.05449	4.5
117.07001	9.1
119.08595	28.6
121.06507	11.7
121.10161	19.6
123.11728	3.6
128.06201	8.3
129.07021	12.9
130.07771	8.3
131.08583	17.7
133.06464	3.4
133.10132	15.5
135.08058	7.1
135.11674	4.6
141.06924	4.2
142.07784	11.5
143.08572	21.6
145.06511	4.2
145.10144	34.0
147.08127	2.6
147.11630	4.0
149.02364	19.6
149.09677	3.1
155.08600	12.6
156.09346	11.1
157.10158	28.0
159.08061	8.1
159.11682	7.9
161.09613	13.4
165.07030	5.7
167.08568	5.1
168.09341	3.7
169.10193	15.3
170.10899	5.2
171.11700	15.6
173.09610	8.1
173.13275	8.6
175.11188	5.5
177.09013	3.7
179.08585	9.6
180.09279	4.5
181.10110	14.1
183.11650	17.5
185.09607	3.7
185.13228	9.4
189.12732	4.0
192.09395	3.2
193.10132	14.3
194.10896	5.8
195.11743	15.5
197.13237	14.8
199.11192	3.6
206.10887	5.2
207.11685	14.4
208.12434	4.2
209.13248	15.2
210.13960	3.4
211.11330	3.4
211.14798	9.6
213.12509	3.4
217.10117	4.4
219.11665	8.0
220.12404	4.6
221.13283	11.7
223.11160	7.1
223.14822	8.3
225.12721	4.1
225.16472	3.3
231.11632	5.5
233.13171	5.9
235.14850	7.1
237.12769	3.5
237.16327	3.2
243.11642	3.1
244.12437	3.4
245.13382	4.0
247.14793	5.9
249.16389	8.1
251.14366	3.4
251.17899	3.3
253.15800	2.8
257.13342	3.3
257.18961	3.4
258.13989	3.3
259.14764	4.8
261.16483	4.4
263.18033	4.9
269.13242	3.6
273.16333	3.8
275.17767	4.0
277.16098	2.6
277.19434	3.8
289.16238	3.0
289.19443	6.4
293.19131	3.3
297.18625	7.7
335.19852	3.9
345.25763	2.9
373.25226	16.8
391.26151	100.0
391.35852	3.2
392.26682	5.4
397.90079	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.8
55.05507	15.0
57.03448	3.1
57.07065	8.9
67.05511	25.4
68.75137	2.9
69.03438	5.5
69.07076	8.5
69.67371	16.7
75.93397	2.8
77.03886	2.7
79.05502	31.9
81.03435	3.0
81.07058	40.7
81.30436	2.6
83.04982	3.2
83.08640	3.8
85.06540	3.4
91.05479	34.8
93.07043	41.9
95.04970	54.6
95.08622	18.0
97.06515	5.0
98.37340	2.5
99.08115	2.7
103.05472	5.3
103.76083	2.5
105.07037	67.5
105.07696	5.1
107.08599	25.9
109.06521	8.9
109.10175	10.5
115.05468	4.7
116.06322	3.1
116.96062	2.9
117.07022	12.1
119.08583	56.5
119.09383	4.8
121.06512	12.4
121.10155	28.3
123.08033	5.4
128.06232	14.3
129.06998	15.6
130.07808	8.6
131.08589	27.2
133.06523	3.2
133.10132	16.3
135.08084	7.5
135.11668	3.5
137.09595	2.7
140.18192	2.4
141.07031	8.1
142.07791	14.8
143.08582	37.8
144.09326	5.8
145.06551	4.8
145.10123	47.8
147.08099	8.3
147.11685	7.7
149.02367	12.6
149.09633	4.2
152.58264	2.5
155.08534	18.2
156.09332	17.9
157.10115	33.8
158.10954	4.4
159.08070	8.0
159.11700	16.1
161.09648	5.8
163.11125	3.3
165.07103	7.8
167.08585	10.1
168.09326	6.5
169.10146	27.9
170.10930	10.0
171.11647	19.4
173.09679	7.8
173.13248	17.0
175.11302	4.6
177.09160	2.9
179.08618	11.8
180.09370	5.8
181.10141	13.4
182.10968	8.8
183.11745	25.1
184.12384	3.3
185.09662	6.0
185.13281	8.4
187.11188	5.0
187.14937	4.6
189.12851	3.0
191.08675	3.1
191.14307	5.5
192.09381	6.2
193.10159	18.8
194.10922	7.4
195.11725	19.6
196.09010	2.8
197.13248	17.8
199.11205	5.4
199.14865	8.4
201.12817	5.7
205.10179	5.9
206.10951	8.3
206.44775	2.8
207.11685	19.1
208.12563	7.3
208.24554	2.7
209.09743	3.1
209.13295	20.0
210.88719	3.0
211.11232	6.6
211.14890	8.9
213.12727	5.9
214.10760	2.5
215.14307	3.6
217.10216	4.3
219.11725	8.2
220.12596	4.4
221.13205	14.5
222.10394	3.0
222.13951	4.6
223.11261	4.2
223.14879	11.7
225.12695	5.7
225.16348	4.2
227.14337	4.0
229.15961	2.9
231.11801	5.1
232.12628	5.1
233.13310	12.2
233.15414	5.2
234.13965	4.3
235.14879	9.8
237.12775	4.3
237.16452	6.6
239.14412	3.6
245.13461	3.1
247.14778	6.8
249.16391	13.3
251.14124	2.9
251.18086	5.8
258.14114	3.2
259.14978	4.5
260.15613	3.9
261.16379	7.7
263.17935	6.4
264.18750	3.6
265.19565	3.3
267.17572	6.0
269.19168	3.5
275.17877	5.1
277.19577	3.2
279.17764	3.6
281.18958	3.5
282.19843	6.3
287.18146	4.0
289.19370	4.5
291.17480	6.8
295.20618	5.9
297.18436	5.9
317.19263	4.2
331.20728	4.4
335.20151	6.7
363.26981	4.0
373.25217	21.4
381.76001	3.0
391.26334	100.0
391.36365	9.3
392.26788	5.0
393.99496	3.0
406.27490	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	391.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	7.6
55.05277	2.0
55.05517	25.0
57.03441	7.3
57.07082	12.1
62.00325	1.4
67.05510	19.9
69.07073	32.6
71.08634	7.2
79.05495	12.0
81.07063	27.0
83.04965	1.6
83.08151	2.2
83.08621	29.0
85.10184	3.3
88.22080	1.2
91.05479	3.8
91.24452	1.4
91.63068	1.3
93.07043	13.0
95.04975	4.1
95.08608	17.6
97.06532	8.4
97.10175	19.7
98.98473	84.8
105.07027	4.4
107.08585	8.8
109.10204	8.5
111.08080	5.8
111.11718	4.4
113.09615	2.3
121.02834	1.6
121.06445	1.4
121.10141	21.5
123.11741	6.9
125.09657	1.6
135.11713	12.2
137.13234	4.1
142.53101	1.2
143.08537	2.5
145.10146	2.8
149.02313	7.0
149.13260	5.7
155.01053	100.0
157.10143	2.8
159.11650	1.7
163.14861	1.8
169.10127	1.8
197.13345	2.0
211.14764	2.2
219.21078	11.8
237.22159	24.5
308.51849	1.5
391.26529	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	391.219
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	20.4
57.03423	2.1
57.07071	1.2
58.06609	9.6
60.04519	3.2
66.27235	0.7
67.23017	0.8
68.05031	2.2
70.02943	1.0
70.06580	3.9
70.88850	1.3
70.89178	1.3
72.08165	10.0
74.06084	74.1
76.03993	1.3
81.07050	1.4
83.08633	0.9
84.04512	16.1
84.08123	4.6
85.02868	0.9
86.06052	3.0
86.09711	63.3
87.05593	1.3
87.10049	1.1
98.09731	2.3
101.07146	24.1
102.05525	2.5
113.07099	1.4
124.11201	1.9
126.09171	1.9
126.12801	2.2
129.10268	1.5
130.05022	2.2
132.10141	1.2
141.06610	1.0
142.12282	12.3
143.11836	6.3
147.07626	1.4
149.02327	8.4
152.10722	1.4
159.07626	11.1
163.14813	0.9
169.13295	1.5
177.08710	43.8
187.07158	3.6
187.14427	100.0
188.14696	1.4
215.13922	29.2
244.09357	2.2
272.16040	6.4
288.11899	2.2
312.15579	2.7
316.18729	3.5
331.25781	0.9
345.08371	1.0
373.16687	1.5
373.20889	11.9
376.62991	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	3.6
57.07080	2.7
57.93190	2.7
59.59739	2.7
63.19032	2.6
67.05502	3.3
69.07068	4.0
69.44541	8.0
69.44949	13.7
70.06596	4.6
71.46965	3.0
72.08143	5.4
79.05508	6.2
81.07047	7.0
84.04509	3.8
84.08139	6.3
86.09737	5.9
91.05485	7.1
93.07043	7.1
95.08623	9.3
97.06528	6.1
98.06868	3.4
102.05506	3.4
105.07018	6.1
107.08597	11.7
112.11314	3.7
114.10226	3.1
119.07105	2.9
119.08628	16.8
120.08112	8.0
133.10143	100.0
133.11111	6.6
135.11697	23.2
163.03859	8.0
164.04195	4.1
175.14836	67.7
193.15877	40.0
216.07426	3.0
260.10123	5.7
390.22223	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79436	3.0
55.05504	3.8
63.92275	3.5
67.05482	3.2
69.07052	5.7
70.06583	9.9
70.12749	5.6
70.13165	11.9
72.08142	6.2
73.98240	3.1
79.05478	4.3
81.07067	6.1
84.04521	4.2
84.08125	4.2
85.02912	4.2
86.09711	5.8
91.05502	5.9
93.07027	7.6
95.08604	8.7
97.06510	6.8
98.21546	3.1
104.54359	3.8
105.07006	8.5
107.08574	7.2
119.08580	19.6
120.08086	12.1
129.10294	3.8
133.10146	100.0
135.11684	22.2
151.33092	3.3
163.03900	7.6
171.40845	3.2
174.14977	3.5
175.14825	61.4
193.15897	36.6
193.19806	3.0
203.56154	2.9
230.44244	3.2
272.87085	3.5
390.22256	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	2.3
55.05518	7.0
56.05035	6.7
57.68010	1.9
60.04530	2.1
67.05500	12.7
69.03436	7.1
69.07074	3.4
70.06590	11.7
71.03331	2.6
71.03666	4.3
71.05001	16.7
72.08158	9.1
74.06078	9.2
79.05521	11.6
81.03426	5.7
81.07059	34.7
83.04974	2.4
84.04511	5.2
84.08158	12.5
85.02912	12.1
85.49294	1.8
86.09716	20.6
89.84165	1.8
91.05489	6.6
93.07056	9.5
95.04987	4.6
95.08617	45.1
97.02904	3.4
97.06548	7.9
97.34518	2.0
99.04463	11.6
99.08083	5.0
102.05545	9.7
103.05460	3.0
105.07043	17.7
107.08596	5.0
109.02898	2.7
109.06564	2.7
110.07240	2.1
111.04501	2.3
111.08111	3.0
117.03355	2.1
117.06939	2.0
119.04135	2.0
119.08598	5.8
120.06639	11.3
120.08121	17.4
121.06564	2.5
123.08089	33.5
129.10266	4.3
132.10216	2.6
133.10138	15.6
141.09108	100.0
144.06609	3.0
145.04958	4.8
145.10146	2.4
147.11691	8.7
151.11165	2.3
175.11220	7.0
181.45491	2.2
185.13510	2.1
193.12308	8.5
197.12781	2.8
211.13336	2.5
217.12267	3.2
245.53052	2.2
272.80136	2.4
354.19119	5.1
367.70139	2.4
372.20053	3.7
373.30307	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	389.248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54060	0.6
55.05518	4.6
57.03412	1.3
65.03912	1.0
67.05511	10.6
69.03429	3.3
69.07062	4.9
69.46296	0.6
71.49943	0.6
71.50368	0.7
79.05501	3.9
81.06657	0.8
81.07058	9.3
83.04961	2.1
83.08610	1.9
89.06026	1.1
91.05495	4.6
93.07050	5.7
95.04966	1.6
95.08610	7.2
97.06520	1.0
97.10190	0.9
99.08099	0.8
105.07031	7.5
107.04963	1.6
107.08602	7.6
109.06529	4.8
109.10165	20.9
111.04423	1.6
111.08109	4.6
113.05939	0.8
117.07032	1.4
119.08607	6.0
121.06529	5.3
121.10148	6.4
123.08061	3.8
123.11687	3.4
125.05965	1.3
125.09624	2.3
127.07544	4.6
128.06210	1.6
129.06958	1.0
131.08560	3.4
133.06454	0.8
133.10132	4.3
135.08046	1.9
135.11678	2.4
136.75856	0.7
137.09633	15.1
141.07037	1.6
141.09102	1.0
142.07773	1.7
143.08562	5.7
145.06450	2.0
145.10150	3.7
147.08015	2.9
147.11691	3.1
149.09578	2.5
149.13222	1.7
151.11214	1.0
153.07043	1.0
155.08632	4.6
155.10680	8.3
156.09305	0.7
157.10081	3.2
159.08084	5.6
159.11674	2.7
161.09608	2.4
161.13240	1.5
163.11151	0.7
165.06984	5.0
166.07748	1.6
166.94688	0.7
167.08554	3.2
168.09311	1.3
169.06413	0.7
169.10110	5.6
171.08073	5.2
171.11693	3.8
173.09625	3.6
173.13260	1.8
175.11189	2.1
177.12779	1.7
178.07753	4.5
179.08569	24.7
179.10149	1.6
180.09334	8.9
181.10107	5.9
182.10892	1.9
183.11710	3.1
185.09619	3.0
185.13239	1.9
187.11206	1.6
189.12788	1.0
190.07782	0.8
191.08508	2.0
192.09314	4.7
193.10153	26.3
194.10925	56.0
195.08064	1.9
195.11691	19.4
196.08788	1.2
196.12497	1.2
196.63023	0.8
197.09653	4.3
197.13251	3.8
199.11206	2.2
199.14734	1.2
201.12796	1.1
203.08597	1.5
204.09448	0.8
205.10123	6.8
206.10901	6.3
207.11690	14.3
208.12402	2.9
209.09741	3.2
209.13278	10.5
210.13968	0.8
211.11171	4.3
211.14815	2.1
213.12718	1.6
217.10098	2.0
217.15837	0.8
218.10944	1.6
219.11714	7.9
220.12483	8.8
221.09685	2.1
221.13252	16.6
222.13951	3.4
223.11182	4.2
223.14812	2.4
225.12790	4.1
227.17914	0.8
229.10144	1.1
231.11700	2.1
232.12495	2.1
233.13281	7.4
234.10432	1.1
234.14008	2.9
235.11073	3.4
235.14830	100.0
236.11887	0.9
236.15460	4.3
237.12788	2.0
237.16434	3.4
239.14307	3.1
243.11916	0.8
243.17503	1.3
244.12439	1.1
245.13301	3.2
246.10379	0.9
246.14088	2.1
247.14845	4.8
248.15442	1.3
249.12732	2.6
249.16368	2.7
251.14357	3.5
251.17833	0.7
253.12325	4.1
253.15881	1.3
258.10324	0.8
259.11172	1.3
259.14868	2.5
260.15549	0.8
261.12793	2.2
261.16422	13.5
262.13281	0.7
263.14322	2.7
263.17999	5.3
265.12195	0.9
265.15845	1.1
267.13806	1.2
267.17462	1.0
271.15179	0.8
273.16385	1.6
274.13513	0.9
274.17096	1.0
275.14374	1.6
275.17987	4.1
276.18814	2.0
277.15860	2.7
277.19385	1.2
279.13852	2.1
279.17490	6.0
281.15527	1.2
286.13812	0.7
287.14383	1.0
287.17831	0.7
289.15948	0.8
291.13959	1.4
291.17123	1.0
293.15338	1.7
293.22681	1.0
297.16159	1.1
301.15820	1.5
304.21732	1.7
305.15341	1.5
307.17151	1.3
315.17645	1.6
315.21085	1.6
319.16943	2.2
321.22141	2.4
328.21964	0.7
329.19028	1.0
329.22562	1.0
333.18448	2.5
338.20270	1.0
343.24188	1.7
347.20215	3.2
348.21124	1.2
353.22583	1.7
356.21124	1.0
361.25320	1.6
371.19330	1.2
371.23755	14.6
389.24792	58.6
390.25165	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	389.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.4
55.05505	1.8
56.05041	0.8
58.06592	0.6
60.04528	1.0
60.05654	0.5
63.51691	0.3
67.05515	0.5
69.07079	7.2
70.04971	1.2
70.06606	5.6
71.04997	0.6
72.08162	12.4
74.06081	1.6
75.05602	1.6
81.07070	0.5
84.04513	1.9
84.08150	4.9
85.02917	1.4
86.09714	100.0
87.10045	0.6
91.05470	0.4
93.07054	0.4
95.04980	2.4
95.08610	0.5
97.06511	0.6
98.06052	0.4
98.20880	0.5
99.04475	0.5
101.07185	0.4
105.07040	0.5
106.05042	0.5
107.08617	0.5
109.10155	1.0
110.09699	0.6
113.07140	0.5
116.01672	0.5
116.07117	0.9
120.08137	0.9
123.04485	0.4
128.32469	0.4
129.10254	2.5
130.05013	0.6
131.08212	1.1
132.10243	0.5
133.10143	2.7
141.06569	0.5
143.11807	11.0
151.11160	0.6
153.09180	0.8
154.06584	0.4
159.07677	0.9
171.11322	8.1
171.12753	0.6
173.13208	1.1
178.96346	0.4
191.14388	1.1
199.18051	0.5
201.12369	0.9
209.15376	2.3
215.14040	0.5
219.13470	5.0
231.17075	0.7
234.77487	0.4
239.17667	1.4
240.13545	0.5
256.20160	0.5
258.14630	1.4
276.15616	1.5
284.19611	3.2
389.18024	0.8
389.24689	1.8
390.17178	0.4
402.76520	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	6.4
55.01863	8.3
55.05511	7.5
60.04530	6.4
66.87029	5.9
67.22282	5.6
69.03436	15.1
69.07052	12.4
69.83530	33.3
70.06601	44.4
72.08155	29.6
81.07049	7.2
84.08169	30.1
85.02899	13.8
86.09723	70.8
91.05487	8.0
93.07047	6.8
97.10156	6.3
107.08571	16.6
107.09240	6.6
109.10165	13.0
110.07078	7.3
111.08056	12.9
120.08021	11.7
121.10139	15.3
125.09637	56.3
129.10245	15.9
133.10120	11.4
135.08032	9.7
137.09634	7.8
139.07599	6.5
149.09639	65.4
151.11220	16.4
153.09085	22.2
169.84457	5.9
173.13228	13.9
177.05319	6.7
181.04987	19.0
191.14267	25.0
193.11447	5.9
200.42314	6.2
209.08287	5.6
209.15393	100.0
217.37421	6.2
227.16444	8.7
389.17316	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	389.2174
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
52.23969	4.2
55.05521	9.3
60.04523	10.5
67.05514	6.0
69.03412	4.3
69.07080	9.8
70.06595	21.9
71.04968	4.5
71.41624	6.0
72.08160	23.5
76.02253	7.0
81.03429	9.7
81.07051	7.4
81.09712	4.7
83.04987	7.3
83.06123	30.4
84.04533	9.3
84.08143	19.8
84.60804	4.4
85.02916	8.3
86.09712	100.0
91.05502	9.4
93.07085	8.2
99.08123	10.7
105.07007	7.2
107.08572	7.2
109.06514	5.3
109.10136	5.8
120.08127	14.8
121.06477	5.5
121.10176	14.1
123.08035	5.9
126.23956	5.0
129.10260	10.7
132.10269	5.6
133.10153	12.7
143.11835	13.4
147.11646	5.7
149.09656	10.6
151.11186	9.3
159.38091	4.5
167.77571	4.4
173.12897	48.2
179.04845	5.2
189.12379	11.1
191.14331	19.2
196.14520	22.5
201.12346	12.0
209.15370	40.8
211.13449	7.8
215.07114	6.1
215.11942	4.7
219.13342	4.6
224.14063	7.5
227.16513	6.9
256.31125	4.5
308.67596	4.6
339.09781	5.4
389.13181	6.5
389.17569	6.1
389.21921	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	389.2174
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
53.03968	6.4
55.01863	8.3
55.05511	7.5
60.04530	6.4
66.87029	5.9
67.22282	5.6
69.03436	15.1
69.07052	12.4
69.83530	33.3
70.06601	44.4
72.08155	29.6
81.07049	7.2
84.08169	30.1
85.02899	13.8
86.09723	70.8
91.05487	8.0
93.07047	6.8
97.10156	6.3
107.08571	16.6
107.09240	6.6
109.10165	13.0
110.07078	7.3
111.08056	12.9
120.08021	11.7
121.10139	15.3
125.09637	56.3
129.10245	15.9
133.10120	11.4
135.08032	9.7
137.09634	7.8
139.07599	6.5
149.09639	65.4
151.11220	16.4
153.09085	22.2
169.84457	5.9
173.13228	13.9
177.05319	6.7
181.04987	19.0
191.14267	25.0
193.11447	5.9
200.42314	6.2
209.08287	5.6
209.15393	100.0
217.37421	6.2
227.16444	8.7
389.17316	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	389.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69156	1.1
55.01906	1.2
55.05522	1.9
56.05040	7.1
56.96568	1.6
57.03400	1.1
60.05661	4.1
61.02920	1.2
67.05474	1.2
69.07073	4.5
69.87537	6.7
70.06600	32.6
71.04999	1.2
72.08165	15.3
74.06069	3.1
83.06107	12.7
83.80572	1.1
84.04515	100.0
84.08154	62.9
85.02899	3.7
85.08488	1.8
86.09714	97.4
87.04477	1.3
88.03978	1.4
96.04499	1.9
97.02895	1.7
98.06059	1.7
101.00890	2.1
101.07153	13.4
101.10780	1.3
102.05553	26.2
102.06188	2.0
104.67369	1.2
110.06087	1.4
110.07163	1.9
111.05555	1.1
112.07607	2.5
112.08743	6.3
113.07150	1.9
115.08707	3.0
116.07108	3.8
119.01939	2.6
129.06609	9.3
129.10258	33.7
130.05016	75.0
130.08661	4.0
130.10637	1.6
131.05431	1.4
131.11807	2.6
132.10228	3.7
136.06226	3.0
140.08118	1.3
141.06628	4.8
143.01936	4.9
143.08246	1.7
143.11896	1.5
145.03476	2.2
147.07668	88.8
147.11267	2.1
148.06064	7.5
152.05333	1.2
152.10722	4.1
157.10902	2.9
157.13339	1.3
158.09308	1.3
161.02998	5.3
169.03571	1.4
170.11809	3.3
173.09348	2.0
173.12825	1.4
175.11948	4.3
183.14857	1.3
185.12943	1.5
187.07253	2.0
187.14507	1.6
191.67097	1.1
196.14514	5.2
197.12854	22.2
203.04068	2.1
214.15479	2.9
215.13939	15.7
217.81949	1.1
222.12550	1.2
225.10342	1.3
225.12349	7.0
225.17203	1.5
240.13446	4.7
242.15054	4.7
242.18436	1.4
243.13504	4.3
247.12904	1.3
258.10803	3.9
258.14526	1.4
259.09180	1.3
260.16031	2.8
261.14645	1.9
269.89606	1.3
270.13943	1.2
276.12051	1.7
276.16714	2.4
353.18195	1.8
371.19144	6.2
371.23355	1.8
372.21964	1.5
389.04797	1.5
389.25137	32.5
390.15616	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	389.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	16.6
55.01861	20.3
55.05504	11.2
57.03431	8.6
65.03952	4.7
66.23799	4.4
67.05505	54.8
69.03434	45.6
69.07071	10.5
69.56261	27.1
71.04985	5.3
72.08150	5.6
76.60410	5.4
79.05492	43.9
81.03419	100.0
81.07054	38.0
83.04985	43.7
85.02898	32.4
91.05480	34.1
93.07043	41.6
95.04955	14.8
95.08591	14.9
97.02877	20.9
97.06522	19.9
99.04445	16.9
105.06995	10.1
107.04961	41.5
107.08579	26.2
107.91187	5.4
109.02869	34.2
109.06525	5.4
109.10155	9.1
111.04440	54.9
111.08070	16.9
117.06987	18.2
119.08590	15.7
121.10165	42.0
123.08115	5.5
127.03935	33.9
129.07045	5.6
131.08569	13.4
135.11691	33.1
145.06448	6.6
145.10138	41.2
149.09515	6.1
153.12726	22.7
155.08548	11.4
163.11157	56.1
173.09651	41.5
173.13477	4.3
181.12257	33.0
182.79703	4.5
191.10689	55.7
209.11610	34.8
227.12775	35.9
335.14664	12.8
349.04922	4.5
353.15762	18.2
371.16833	7.9
389.24930	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	388.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01846	0.9
55.05503	2.1
56.05032	1.5
58.06590	0.8
59.05003	59.6
60.04509	1.3
61.02918	1.7
62.62488	0.8
69.03420	3.4
70.06597	12.5
71.49715	1.2
72.08160	12.7
73.02894	0.9
73.08494	1.0
74.06038	1.0
75.53659	0.7
81.03405	1.3
83.06106	1.1
84.04507	6.8
84.08147	15.5
85.02909	11.3
86.09709	13.5
87.10054	0.9
88.03959	0.9
89.05490	1.8
89.06032	32.3
93.94338	0.9
97.02876	3.6
98.09617	0.9
99.04463	0.9
101.07229	1.1
103.07587	59.7
107.22483	0.8
109.02887	0.9
109.10125	0.9
109.96141	1.0
110.07133	1.1
112.08698	1.3
112.11260	1.4
116.07080	2.3
121.08600	2.6
127.03926	1.4
129.10229	7.9
130.04970	1.5
133.07657	1.4
133.08611	16.4
136.07600	1.1
143.11783	1.5
145.04959	1.8
147.10143	7.6
147.11165	1.1
155.11771	1.3
161.09267	1.3
163.03891	1.6
165.11229	3.6
173.09186	1.6
177.11308	3.9
209.13850	100.0
210.14250	1.7
244.56631	0.9
346.03574	0.9
370.23599	0.9
371.13062	0.8
379.18237	1.5
388.27008	1.3
389.24960	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.4
55.01865	2.2
55.05511	5.2
58.99342	1.4
58.99590	19.5
59.22424	1.0
59.62647	1.0
60.04532	5.2
62.67577	0.9
67.05497	4.7
69.03411	1.2
69.07082	7.9
69.80541	6.4
70.06606	11.7
71.05001	2.3
71.06960	1.2
72.08163	7.0
73.01132	1.7
74.00684	6.4
76.02235	16.2
76.03986	3.1
79.05154	1.2
79.05505	14.2
81.03397	2.7
81.07058	7.6
83.05000	5.6
84.04498	2.6
84.08136	4.8
85.02902	2.0
85.04026	2.7
85.06560	2.4
86.09229	1.6
86.09715	22.4
86.99058	12.3
88.02205	4.2
91.05489	37.4
91.52133	1.0
93.07059	9.8
93.30885	1.1
95.04988	6.2
95.06068	3.5
95.08585	2.3
97.06522	2.3
98.28275	1.0
99.04448	3.4
101.10966	1.3
105.07036	45.1
107.04929	2.7
107.08600	5.7
109.02886	2.3
109.06518	9.5
109.10159	3.0
110.09669	1.0
111.04470	1.5
112.08771	1.8
113.06017	1.0
115.05476	1.1
116.01688	53.3
116.07070	4.3
117.07030	1.1
119.08594	14.7
120.08089	3.2
121.10145	2.2
123.11696	1.4
125.06027	2.4
129.06956	1.5
129.10226	3.4
131.04544	1.1
131.08572	11.2
132.10187	2.3
133.06503	1.6
133.10139	100.0
136.07603	1.7
137.05972	4.9
139.06390	1.1
143.08565	2.4
143.11790	5.6
144.01157	27.2
145.06335	1.9
145.10085	3.5
147.04410	1.7
147.11702	26.8
149.09621	3.1
151.07495	3.8
151.11189	14.9
155.06999	4.7
157.10048	1.4
162.02213	97.1
165.12717	1.7
168.48874	1.2
169.12276	1.2
171.11417	1.5
173.09645	6.0
173.12900	3.4
175.11166	16.6
177.03319	2.9
177.05418	1.4
177.07361	1.3
179.04843	15.4
179.08867	1.2
182.89198	1.2
188.03545	1.3
191.10568	1.6
193.12257	45.0
201.12283	1.5
205.06856	2.6
209.15346	2.6
211.13315	3.3
215.07050	3.5
219.13345	6.9
227.12677	1.2
227.16437	1.4
233.09744	1.6
250.12563	3.9
251.10997	1.8
258.14435	1.5
268.13654	4.3
278.12094	1.6
286.14685	2.3
296.13162	11.6
336.12518	1.6
339.09692	2.2
354.13556	2.3
372.14941	5.5
389.13098	2.1
389.17340	4.8
389.22137	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	387.2719
Annotation	Arg Val Leu
Peak:m/z	Relative Intensity
51.32709	0.9
55.05511	2.3
56.05041	0.8
56.88517	0.7
60.05654	11.1
65.54277	0.8
70.06596	100.0
71.05005	7.3
71.49036	1.2
72.08156	14.0
78.59213	0.9
80.99726	0.7
84.04530	1.6
84.08144	6.1
85.02904	1.8
85.07693	1.0
86.09711	12.6
88.07645	4.4
95.06133	1.0
97.02908	1.1
97.07626	1.2
98.06067	2.4
101.07162	0.9
107.08610	1.0
110.07162	1.2
112.08743	24.5
113.07124	0.9
115.08715	3.3
116.07103	1.8
121.06532	2.0
124.11265	2.7
129.10258	2.6
132.10272	1.6
140.08173	5.7
147.03363	0.7
151.12306	1.0
155.08183	1.1
157.10863	5.9
163.11235	1.7
168.15010	2.2
169.13382	7.7
171.20277	0.7
175.11887	4.2
180.10220	1.2
183.14989	0.8
190.27386	0.8
194.12976	1.3
196.14502	2.4
197.12842	1.4
207.13832	5.4
211.15561	18.0
213.19383	0.7
214.15567	1.1
215.13998	1.0
225.17168	3.3
228.18246	2.6
231.17110	1.2
239.15114	1.7
248.24915	0.7
256.17810	3.1
257.16055	5.5
271.17789	0.8
274.18738	9.0
288.20270	1.3
328.22568	1.0
370.24496	6.8
387.27148	83.9
388.27377	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2535
Annotation	12alpha-Hydroxy-3-oxochola-4,6-dienoate
Peak:m/z	Relative Intensity
53.03947	6.1
55.01865	8.4
55.05515	18.6
55.34587	1.8
57.03430	2.8
57.07075	3.0
58.97094	1.8
62.54465	1.7
65.03934	2.9
65.46883	1.8
67.05508	33.9
68.33186	2.1
69.03150	1.9
69.03439	20.8
69.07073	17.8
69.95329	2.2
70.10121	7.7
71.04993	3.2
72.08173	2.2
79.05503	26.9
81.03427	21.6
81.07066	32.2
83.04978	8.1
83.08610	6.9
84.08162	4.5
85.02921	3.2
85.06538	3.2
91.05489	38.4
93.07059	29.8
95.04987	11.4
95.08607	25.8
97.02914	15.0
97.06535	4.4
97.10159	2.3
98.20806	2.9
105.07041	37.3
107.04958	5.4
107.08588	17.0
109.02851	2.8
109.06532	4.9
109.10167	12.7
111.04446	8.7
115.05495	4.7
117.07037	21.8
119.04932	4.5
119.08601	30.6
121.06511	8.3
121.10170	11.3
123.04437	7.3
123.08064	4.8
123.11728	3.3
123.52538	2.0
127.03872	2.7
128.06256	8.8
129.07014	18.8
130.07796	2.1
131.04945	3.4
131.08575	31.1
133.06496	10.1
133.10165	17.1
135.04439	2.2
135.08037	5.0
135.11723	7.6
137.06055	2.6
137.09605	2.6
141.07028	6.8
142.07776	5.2
143.08562	22.2
145.06514	9.0
145.10132	24.0
147.08044	13.5
147.11679	9.7
149.05971	4.1
149.09651	3.9
149.13284	4.8
151.07526	5.8
155.08559	8.2
156.09378	3.0
157.06546	5.5
157.10144	15.0
158.07283	2.3
159.08081	7.6
159.11694	15.7
161.06017	3.7
161.09602	6.5
161.13278	5.8
163.07518	2.5
167.08569	5.8
169.10133	10.1
171.08099	5.6
171.11713	11.9
173.09653	6.7
173.13286	11.2
175.07579	5.1
175.11201	4.8
179.08649	2.4
181.10146	6.0
183.11732	8.4
185.09669	3.9
185.13292	11.1
187.07600	4.6
187.11223	6.4
187.14903	4.2
189.09232	2.3
189.12761	5.2
195.11711	4.0
197.09535	2.4
197.13179	9.3
199.11212	4.8
199.14891	7.3
201.12697	3.6
203.10684	2.5
205.12144	3.3
207.11705	3.0
207.13618	2.1
209.13336	3.2
211.11273	3.3
213.12715	4.5
215.14339	3.2
219.13612	2.1
223.14897	3.8
225.12907	2.1
227.14317	2.5
229.12241	4.0
243.13977	2.4
257.15469	2.7
259.20642	2.6
277.21667	5.5
289.21762	4.8
297.22165	2.8
299.20135	3.7
299.23657	2.4
301.21677	4.4
309.22195	2.1
313.21652	4.5
323.23718	4.7
325.21753	2.2
327.23236	8.9
341.21173	3.6
341.24832	25.7
351.23218	16.6
359.25967	3.8
369.24289	72.3
370.24692	2.6
387.25360	100.0
388.25720	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	387.2532
Annotation	12alpha-Hydroxy-3-oxochola-4,6-dienoate
Peak:m/z	Relative Intensity
53.03932	2.6
55.01865	7.2
55.05515	13.8
57.03440	2.7
60.39186	1.7
65.03959	1.8
65.77297	1.6
67.05509	28.2
67.24165	1.6
69.03438	21.0
69.07076	12.2
71.01331	2.5
71.05003	2.6
71.39471	1.7
78.08050	1.6
79.05502	26.1
81.03419	18.5
81.07066	27.5
82.03214	1.8
82.77290	1.8
83.04975	6.7
83.08617	5.7
85.02903	3.7
91.05491	34.9
93.07057	21.6
95.04958	9.1
95.08604	22.5
97.02912	9.3
97.06554	4.2
97.10144	2.9
98.21510	5.7
99.04439	2.1
105.07045	27.9
107.04949	6.6
107.08611	16.4
109.06508	4.7
109.10165	7.3
109.94518	2.1
111.04449	6.9
115.05466	3.7
117.07031	21.2
119.08587	26.0
121.06506	7.1
121.10163	11.6
123.04417	6.8
123.08072	3.0
123.11697	2.8
128.06227	5.6
129.07016	17.3
131.04912	2.7
131.08589	24.5
133.06479	7.9
133.10141	17.9
135.08069	4.7
135.11726	6.7
141.06981	6.1
142.07773	4.1
143.08562	19.1
145.06502	7.2
145.10146	21.6
147.08063	6.5
147.11685	9.8
149.05984	2.3
149.09624	2.0
149.13245	3.4
151.07547	2.6
153.07115	1.9
154.07811	2.2
155.08546	9.4
157.06557	4.9
157.10135	14.5
159.08009	5.6
159.11717	16.9
161.05989	3.3
161.09665	4.7
161.13251	8.2
167.08594	6.7
169.10175	7.3
171.08046	6.2
171.11713	11.7
173.09633	6.3
173.13315	6.8
175.07590	3.5
175.11218	3.3
175.14850	2.6
177.09088	2.8
180.09277	1.9
181.10074	3.1
183.08006	4.0
183.11615	9.5
185.09610	4.6
185.13295	9.6
187.07497	3.0
187.11249	4.9
187.14842	5.3
189.09206	2.8
189.12686	2.8
193.10132	2.2
195.11800	4.1
197.09576	2.7
197.13290	6.8
199.11258	3.4
199.14836	4.8
201.08908	1.9
201.12636	3.1
201.16533	2.7
205.12335	1.9
207.11887	2.2
209.13283	4.5
211.11160	3.1
211.14841	2.4
213.12791	4.5
213.16489	2.7
215.10770	2.5
215.14345	3.3
217.12303	3.1
223.17540	2.0
227.14311	2.7
229.12254	2.2
229.15971	3.0
259.20584	2.1
277.21707	3.9
283.20654	2.2
289.21643	4.1
297.22000	2.2
299.23676	2.9
301.21509	4.3
303.23114	2.1
309.22168	2.9
313.21585	2.5
323.23639	3.6
327.23303	8.1
333.22211	2.3
341.24725	18.2
351.23245	15.1
359.25876	2.2
369.24268	62.3
370.24612	3.3
387.25342	100.0
388.25705	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	387.2529
Annotation	Atranone E
Peak:m/z	Relative Intensity
52.93256	1.4
53.03938	4.6
54.70375	1.3
55.01873	8.2
55.05512	18.2
57.03431	2.9
57.07071	5.4
60.05580	1.3
65.03931	2.5
67.05140	1.9
67.05505	32.8
69.03434	21.6
69.07070	15.9
69.19994	10.5
69.20397	2.4
71.04982	3.8
71.08646	2.3
71.70470	1.4
72.04515	4.1
78.03767	1.9
79.05499	32.0
81.03436	20.4
81.06594	2.0
81.07060	32.6
83.04982	6.6
83.08606	6.4
85.02893	3.9
89.96476	1.3
90.03018	1.4
91.05485	33.6
93.07050	31.6
95.01336	1.8
95.04961	11.3
95.08611	25.3
97.02901	13.9
97.06516	5.3
97.10167	4.8
102.03755	3.4
103.05463	1.9
105.04536	1.4
105.07032	35.2
107.04967	7.4
107.08605	16.6
109.02841	2.3
109.06509	4.3
109.10155	10.8
111.04458	9.8
111.08136	1.3
115.05441	5.3
117.07026	23.1
119.07812	2.1
119.08590	27.8
121.06484	5.8
121.10146	11.8
123.04456	7.6
123.08041	3.2
123.11700	2.2
125.09618	2.0
127.03869	1.5
128.06219	6.4
129.06995	20.4
130.07788	3.0
131.04929	3.1
131.06421	2.3
131.08571	31.5
132.04839	1.6
133.06482	8.8
133.10135	17.0
135.04462	1.5
135.08047	6.0
135.11684	7.5
137.06018	3.2
141.06996	8.3
142.07816	4.2
143.08566	19.1
145.06517	9.4
145.10117	21.6
147.04477	1.6
147.08076	7.1
147.11702	11.6
149.06064	1.7
149.07449	4.7
149.09622	4.2
149.13266	3.0
151.07594	3.2
153.07031	1.8
154.07788	1.9
155.08568	10.5
156.09375	2.6
157.06500	6.2
157.10130	19.0
158.07274	1.5
159.08090	6.4
159.11687	15.6
161.05959	1.6
161.09608	6.1
161.13283	6.5
162.52127	1.3
163.07530	2.2
163.11189	3.5
167.08556	5.6
168.09332	2.0
169.10124	13.3
171.08049	5.3
171.11667	13.1
173.09598	5.7
173.13286	10.6
175.07582	3.4
175.11224	3.9
177.09258	2.2
177.12779	2.2
179.08549	1.7
180.09315	1.7
181.10123	5.4
183.08057	3.0
183.11671	8.3
185.09630	5.5
185.13219	9.7
187.07605	3.5
187.11209	4.5
187.14807	3.8
189.09137	2.3
189.12714	2.5
191.10611	2.3
195.11699	3.7
197.09673	3.3
197.13254	5.6
199.11191	4.4
199.14839	6.1
201.09116	3.9
201.12735	2.3
203.10876	2.2
203.14359	2.9
207.11789	2.5
207.13771	1.5
209.13371	2.8
211.11150	3.8
211.14749	3.2
213.12798	5.0
213.16330	2.2
215.14410	2.5
217.12273	1.8
223.14911	3.4
225.12701	3.8
225.16431	2.7
226.13390	1.3
227.14342	3.4
231.13887	2.6
233.15382	1.7
239.14323	3.3
243.13667	1.9
255.13921	1.5
255.17218	1.5
259.20584	2.3
261.22379	1.9
271.20627	2.3
271.55005	1.5
273.22052	2.2
275.19949	1.6
277.21695	5.2
281.19205	1.6
285.22171	2.3
287.20056	1.6
289.21619	3.7
291.23169	1.6
297.22318	1.6
299.20184	2.6
299.23688	2.4
301.21628	2.9
310.27396	6.1
313.21588	3.4
315.23270	4.7
323.23758	4.8
327.23276	10.1
331.22662	1.7
333.22174	2.0
341.24756	21.4
351.23245	17.4
359.25845	3.8
369.24249	63.9
370.24374	2.6
387.25320	100.0
388.25583	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	387.2017
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
50.27868	0.9
53.03941	1.0
55.05501	3.0
56.90590	0.8
67.05492	2.4
69.03423	3.2
69.07050	1.3
70.06602	5.6
71.05005	1.0
71.32591	1.4
72.08163	4.7
79.05485	2.5
81.03432	1.7
81.07060	2.8
83.04964	1.0
83.34058	0.8
84.04506	1.1
84.08158	3.0
85.02928	8.1
86.09710	8.4
87.04464	0.9
87.10041	1.3
91.05477	2.2
93.07063	1.9
95.08606	1.4
97.02900	2.5
97.06557	1.3
105.07037	2.4
109.02828	1.2
109.06546	0.8
109.10154	2.0
112.11217	1.1
119.08617	5.2
119.44897	0.9
120.08092	1.0
121.10202	1.2
122.07299	1.5
123.08091	2.4
127.03931	1.9
129.10236	1.6
133.10144	2.1
135.08116	1.3
137.05998	2.6
137.09592	5.7
139.03975	1.0
142.30733	0.9
145.05011	1.3
147.08037	1.2
147.11690	2.0
147.32181	1.0
149.09604	3.8
151.07576	2.4
161.06165	1.0
161.13245	1.5
163.11214	1.8
165.09132	100.0
167.07164	1.0
171.11642	1.4
189.12794	7.5
207.13823	18.8
225.14923	5.0
225.16942	0.8
253.09741	1.4
264.07693	1.1
280.34137	0.9
281.09357	1.6
309.08603	3.0
327.09720	1.5
355.09296	1.3
387.19666	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	387.2018
Annotation	Sonchuionoside A
Peak:m/z	Relative Intensity
53.03946	7.6
55.05512	6.4
56.05036	7.3
57.03424	5.7
57.07084	7.6
63.73550	5.0
67.05500	9.4
67.91679	5.7
69.03433	28.9
69.07066	8.2
69.86229	27.1
70.06609	39.8
71.81852	5.7
72.08167	42.8
73.02898	6.5
79.05486	6.3
80.06815	5.3
81.03416	11.7
81.07050	14.4
84.04494	9.3
84.08143	24.5
85.02909	87.5
86.09718	100.0
88.03996	7.8
92.39752	5.1
93.07038	7.2
95.06053	6.3
95.08591	22.7
97.02902	13.4
99.04456	17.2
102.05540	9.7
105.07051	12.7
109.10150	22.7
119.08562	15.2
120.08102	5.2
121.10178	6.5
123.04416	6.4
123.08060	8.4
123.11707	59.6
125.05992	19.0
126.46423	5.1
127.03914	15.5
129.10228	14.5
133.07629	5.2
145.04929	6.6
147.07913	5.7
147.11690	9.2
148.06046	10.2
149.09599	21.4
151.07632	13.1
157.13394	7.0
163.11134	11.2
185.12852	10.3
189.12711	20.1
203.13921	8.0
207.13817	68.2
225.14893	33.2
333.17007	14.3
351.18091	29.2
369.19189	8.0
387.15607	9.3
387.20056	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	10.0
53.03947	12.4
55.01859	15.4
55.05519	54.9
57.03414	9.6
59.05007	13.4
67.05511	43.4
67.62745	5.1
69.03430	53.3
69.07063	7.5
71.01361	8.2
71.05006	10.8
79.05504	28.3
81.02994	8.5
81.03430	99.8
81.07056	61.1
83.05000	5.8
83.08644	34.3
85.02906	32.4
85.06529	5.5
91.05492	72.4
93.07054	39.1
95.04986	13.8
95.08603	16.5
97.02891	50.0
97.06516	5.8
99.00827	62.6
99.04470	20.5
99.45528	5.8
103.05495	9.5
105.07049	68.5
107.04944	18.4
107.08590	25.7
109.02896	89.5
109.06499	10.4
109.10159	10.6
111.04425	7.1
111.08096	15.9
115.03970	5.2
117.07012	8.1
119.08585	31.5
121.06519	19.0
123.04442	7.6
123.11654	6.8
124.40068	5.3
127.03918	55.3
128.06215	6.7
131.08568	7.0
133.06482	8.5
133.10139	100.0
134.57095	4.7
135.07965	5.1
135.11694	6.5
139.07536	10.2
143.08530	15.1
145.05035	5.2
145.10118	9.9
151.11188	42.3
161.09621	66.5
171.08080	21.5
179.10719	39.8
188.37915	5.3
189.09128	58.8
189.57278	4.9
197.11731	19.0
207.10173	15.7
220.32770	5.2
225.11227	88.4
243.12265	12.8
289.00626	6.5
369.15424	22.3
387.27200	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	387.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63928	2.0
55.05515	2.7
56.05032	3.1
58.99866	8.9
60.04534	3.3
60.42027	1.9
65.48283	1.8
69.03439	4.5
70.06598	40.2
70.99854	6.0
71.49422	1.8
72.08154	22.6
73.01426	5.4
74.06092	2.8
77.00915	5.2
82.99883	1.9
84.04527	9.6
84.08147	29.3
85.01403	9.2
85.02914	3.1
86.09710	16.3
89.00919	3.1
91.02464	10.3
101.00890	21.6
103.02453	31.2
110.06059	8.0
110.07152	2.5
112.08707	3.0
112.11275	3.9
113.00893	6.8
114.24107	2.0
115.02441	14.0
115.08690	4.4
116.07146	4.5
117.03995	10.6
119.01939	48.7
119.02726	3.9
121.03501	8.6
125.00890	3.2
127.02476	3.1
129.10246	10.5
130.05029	3.5
131.01930	22.1
133.03479	67.1
134.06026	3.7
135.05072	9.9
137.02945	5.3
138.03494	2.0
138.11049	2.5
143.01900	22.4
143.05586	2.5
144.99826	3.5
145.03470	21.7
147.01419	5.5
149.02974	30.2
151.04523	9.3
157.03505	8.6
159.01442	3.9
159.05064	15.0
161.02975	100.0
162.03123	3.0
163.04555	35.0
167.04091	3.9
171.01477	3.6
171.05038	2.9
173.06563	2.5
173.09241	2.9
175.00882	5.0
175.04533	18.9
177.02463	11.0
177.06082	10.7
179.04045	14.0
181.05618	4.8
185.02928	9.7
187.04562	2.8
187.10817	6.9
189.02513	10.4
191.04106	5.8
193.05586	6.2
197.03023	4.8
201.02443	7.6
203.04048	10.0
207.03571	3.1
213.02454	13.9
215.03992	4.2
217.01953	9.1
219.03551	6.3
221.05136	5.1
225.08720	2.4
227.03970	3.4
229.01988	3.8
229.05591	2.4
231.03499	21.5
233.01549	2.8
235.03015	22.5
241.01906	3.7
245.01532	2.6
247.02975	23.9
255.03497	18.2
257.01495	2.6
259.03003	2.1
261.04578	4.5
263.02655	3.0
265.04001	6.3
269.01364	4.7
273.04636	21.5
275.02512	38.1
287.02475	2.6
289.11209	2.2
291.05667	5.3
293.03595	13.4
299.02512	4.9
301.04016	4.2
327.01938	25.5
329.03622	2.2
341.03564	3.5
345.03018	21.4
347.04700	3.1
359.04547	8.3
363.04034	2.6
387.04132	3.3
387.19482	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	386.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29770	2.7
52.14573	2.9
55.01868	5.4
55.05491	7.5
56.05019	8.7
57.03436	28.8
57.05811	3.5
59.04988	6.2
60.04518	10.7
61.02923	13.9
69.03430	26.3
69.07055	10.3
70.06595	52.2
70.79709	8.6
71.01339	4.8
71.06926	2.6
72.08160	37.7
73.02917	56.9
74.06074	9.4
81.03405	9.0
83.04962	4.2
83.06111	5.7
84.04485	13.3
84.08148	100.0
85.02908	85.5
85.08486	5.9
86.09709	86.5
87.04467	6.0
88.03976	5.9
91.03960	5.9
91.05480	8.3
95.04935	4.2
95.06107	6.3
97.02897	49.5
97.06538	3.2
98.06033	4.4
98.09657	3.1
99.04461	8.6
102.05542	5.9
108.16475	3.3
109.02852	6.5
110.07172	27.2
112.08743	3.4
112.11232	8.9
115.03928	33.9
115.08563	2.8
116.07089	7.4
120.08099	9.9
127.03920	26.3
129.10254	43.6
130.04996	4.4
130.08604	4.9
130.10605	3.1
133.04953	10.9
136.07561	9.2
145.02927	3.5
145.04967	48.3
147.11221	4.0
150.07668	3.1
151.12563	3.1
155.11812	2.9
159.07686	3.8
163.03918	3.1
163.06026	30.2
163.11156	6.3
184.38043	3.0
187.14619	3.1
214.66412	5.8
241.07071	4.2
253.09363	4.2
386.26294	3.2
387.16309	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	386.16
Annotation	Papaverrubine F
Peak:m/z	Relative Intensity
52.88908	0.4
53.03932	0.6
54.03462	0.7
55.01873	0.8
55.05512	1.1
56.05057	0.7
58.06608	1.0
60.04522	0.9
62.96656	0.5
67.05487	0.8
68.05025	0.5
68.99796	1.4
69.03428	1.0
69.07067	1.2
70.02951	0.7
70.06598	100.0
70.29749	1.1
70.30091	1.3
71.06926	1.2
72.08157	9.1
74.06090	0.7
79.05499	0.6
81.07059	0.8
84.04508	3.1
84.08152	9.9
85.02905	1.3
85.08498	0.6
86.09714	8.2
87.05606	0.9
88.03989	1.1
91.05500	1.4
93.07067	0.9
95.04961	0.7
95.06092	0.7
97.02865	0.6
97.06528	0.6
98.06079	0.6
98.09699	0.9
98.20879	0.7
99.04456	1.3
101.07153	1.2
101.36758	0.5
103.05492	0.6
104.96798	0.5
107.04957	1.4
110.07170	1.8
112.08771	0.7
112.11264	1.6
114.05529	0.8
115.08728	0.8
116.07130	1.2
119.04964	1.9
120.08121	1.1
121.06512	2.2
123.04442	9.8
124.03981	0.6
125.07121	0.8
129.10239	2.8
130.08644	0.6
131.04984	0.9
135.04413	1.6
136.07568	0.9
137.06078	0.5
141.06583	1.3
147.04416	6.4
147.11292	0.5
149.05994	4.0
159.04466	0.9
163.03889	0.6
165.05450	2.6
177.05489	52.5
178.05846	0.5
183.14981	1.0
189.05589	0.6
207.06566	1.0
215.13959	0.7
224.81436	0.5
234.11293	3.5
244.16600	1.0
249.86740	0.5
328.19608	0.5
329.10242	8.6
340.12723	0.6
364.63562	0.5
386.16022	32.6
387.16202	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.9
56.05038	2.5
57.07072	1.9
58.23748	0.2
61.02925	0.3
67.05500	1.5
69.03410	0.4
69.07067	0.4
70.62789	0.2
70.63117	0.4
71.08628	1.0
74.53046	0.2
79.05487	0.7
81.07043	1.2
83.04973	0.2
83.08633	0.4
84.08146	100.0
85.02886	0.3
85.06538	0.4
85.08475	0.6
85.10208	0.5
88.14314	0.2
91.05493	0.7
93.07049	0.9
95.04952	0.4
95.08619	1.3
96.46950	0.2
97.10176	0.3
102.09142	0.2
105.07041	1.1
107.08591	1.3
109.06544	0.4
109.10141	0.4
111.08120	0.5
112.07616	0.6
117.06994	0.3
119.08582	1.2
121.10168	0.6
123.08059	1.1
127.23093	0.2
129.07021	0.5
129.10240	1.6
130.08644	8.7
131.08597	0.8
135.08038	0.4
135.11707	0.6
137.05966	0.6
143.08580	0.3
145.10141	1.3
147.08049	0.4
147.11279	3.3
149.09639	0.3
151.07542	1.8
159.08087	0.5
159.11688	1.4
161.09627	0.3
162.10432	0.2
163.11229	0.8
165.09033	0.2
171.11804	0.2
172.75548	0.2
177.09157	0.4
177.12759	0.8
187.11212	0.7
189.12727	0.5
205.12247	1.2
207.13753	0.3
221.15413	0.3
229.07487	0.6
247.08426	0.4
286.19266	0.6
322.31036	7.1
339.33615	0.4
367.22568	0.4
385.23975	2.3
385.34247	15.6
386.34683	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.8
55.05512	1.4
56.05008	0.9
59.05008	100.0
65.04366	0.7
69.03410	1.0
69.35411	5.9
70.06596	7.0
72.08165	27.3
73.06551	1.5
81.04536	2.3
81.07059	0.7
82.06608	0.9
84.04510	1.8
84.08157	3.5
86.09724	4.0
87.04462	3.2
88.42281	0.7
89.06042	65.4
91.05468	1.3
95.05003	0.7
95.06081	2.0
97.53002	0.8
99.23296	0.8
103.07593	65.9
105.06934	0.7
107.04949	4.2
107.07077	1.1
110.07186	0.9
112.08710	1.0
117.03417	2.0
117.09121	0.9
120.08124	1.1
127.05034	3.4
129.10239	1.6
130.08635	1.3
131.07074	0.8
131.08476	0.9
133.08623	30.4
133.69891	0.9
135.04416	2.4
136.06201	1.0
137.05945	0.8
143.11813	13.6
145.02844	4.9
147.10179	13.4
163.03937	6.4
171.11343	7.3
177.05484	4.5
177.11279	4.7
187.10786	3.5
193.13339	1.8
210.16112	3.6
213.15288	0.8
214.15530	0.8
215.10341	1.7
254.92772	0.8
286.13980	8.0
297.07547	3.2
385.25156	1.0
386.20743	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	385.2372
Annotation	Mutisicoumaranone D
Peak:m/z	Relative Intensity
53.03941	6.2
53.42548	2.7
55.01873	4.0
55.05513	14.4
57.07072	7.1
59.04987	10.9
61.40210	2.8
65.03934	3.3
65.72036	2.8
67.05506	18.0
67.37195	3.2
69.03416	7.1
69.07059	5.0
71.04990	6.3
71.51207	3.9
79.05496	16.6
81.07057	19.1
83.04958	6.2
83.08613	14.2
85.06565	15.8
86.04074	2.9
91.05083	2.6
91.05490	28.4
92.75838	3.0
93.07048	33.1
95.04959	9.7
95.08606	25.8
97.06550	18.0
99.04468	6.9
99.52045	3.0
105.07035	42.7
107.04985	4.0
107.08595	44.4
109.06516	11.5
109.10136	8.4
111.04414	8.6
111.08091	18.7
113.09648	4.6
117.07011	12.0
119.08575	45.0
121.06517	12.4
121.10156	19.8
123.08080	34.7
128.06244	5.9
129.07008	11.7
130.07785	8.5
131.08583	40.1
133.06451	6.2
133.10164	19.1
135.08084	13.8
135.11694	30.7
137.05969	24.2
137.09602	5.1
142.07758	5.4
143.08554	19.8
144.09305	10.2
145.06502	5.3
145.10120	59.2
147.08034	18.9
147.11731	5.6
149.09642	18.5
151.07547	88.3
151.11111	3.5
153.09140	7.5
155.08592	3.4
156.09282	5.4
157.10176	16.9
159.08084	27.0
159.11694	54.7
161.09584	12.6
161.13231	4.9
162.10402	6.8
163.11185	35.0
165.09134	13.1
167.08575	4.3
169.10167	10.8
171.11665	7.7
172.08835	6.8
173.09619	7.1
173.13206	4.5
175.11223	6.8
177.09123	20.2
177.12717	32.8
181.10085	2.9
185.09645	3.5
185.13182	3.5
187.07497	3.0
187.11203	34.0
189.12767	19.3
193.05011	2.8
195.11662	6.6
197.13208	8.4
199.11137	6.5
201.12675	2.8
203.14273	5.8
205.12253	53.0
207.11975	3.5
207.13724	15.4
209.15237	5.1
211.11162	3.5
213.12733	5.3
215.14401	3.0
217.12149	3.9
221.15240	14.2
223.14862	4.7
225.12801	2.9
225.16417	3.3
233.15428	8.7
241.15891	3.6
246.16154	6.0
247.16965	5.3
285.18585	4.7
286.19238	22.4
305.17490	4.8
311.16455	5.8
367.22693	14.6
385.23724	100.0
386.24283	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	385.0322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82951	0.4
55.31867	0.5
71.06174	0.8
71.06505	0.7
86.83299	0.5
98.97592	6.9
101.00904	2.3
111.92880	0.4
116.98656	3.0
119.01923	4.6
130.97792	0.6
134.99643	0.8
137.02849	0.8
140.98769	1.0
158.99908	2.3
177.00961	11.9
178.01112	0.6
182.17561	0.5
182.99855	0.9
201.00983	3.1
215.78506	0.6
217.04062	2.3
219.02025	22.4
219.19559	0.5
220.02023	0.9
225.00830	2.7
234.99854	0.6
240.98721	1.0
242.99394	0.9
243.01993	12.3
243.04341	0.9
254.44591	0.4
257.22778	0.5
258.99850	3.7
260.00015	0.7
261.03079	100.0
262.03281	5.1
264.98801	0.7
277.00870	2.7
279.00677	3.3
282.99948	3.9
284.00146	0.8
284.04645	1.3
284.99841	3.7
301.01044	3.9
302.01392	1.1
303.00906	4.5
343.02222	1.8
361.00180	1.4
367.02029	2.3
385.03339	17.0
386.03531	1.9
403.00058	1.3
403.04922	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	384.1154
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
52.11923	0.4
54.20468	0.4
54.66690	0.4
55.01855	1.3
57.03435	2.4
57.49696	0.4
69.03413	0.9
70.02922	0.4
70.06590	2.3
70.66222	0.8
70.66542	0.5
71.01350	1.0
72.08160	1.8
73.02901	1.2
84.08154	3.4
85.02890	1.7
86.09690	1.1
88.03957	0.4
95.06067	0.7
97.02899	0.6
100.02583	0.4
110.07161	2.9
115.03944	0.9
115.08652	0.4
119.03513	0.5
119.45758	0.4
121.05105	1.9
129.10228	0.9
133.04919	0.7
135.06662	1.8
136.06197	18.9
137.04562	1.1
148.06161	6.7
151.03853	1.3
160.06181	1.3
162.07764	38.0
163.03949	0.4
188.05690	13.7
191.82484	0.4
192.05173	20.0
206.06734	6.5
234.06227	12.1
243.50087	0.4
252.07298	100.0
253.07588	1.7
267.05090	0.4
283.23257	0.4
283.55374	0.4
331.75519	0.4
384.11545	20.8
384.16028	0.7
386.67667	0.5
388.75784	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.5
54.73109	1.5
55.01879	9.0
55.05519	2.8
57.03441	8.5
58.02974	7.5
61.02920	5.2
67.05509	3.9
68.99793	3.6
69.03087	2.9
69.03434	38.3
69.84568	1.5
70.06606	10.3
71.05000	5.1
72.08155	7.9
73.02921	5.4
79.05504	2.4
81.03426	26.1
81.07081	2.5
84.04501	3.7
84.08150	7.8
85.02913	100.0
86.09703	5.2
87.00833	40.0
88.03944	1.5
91.05489	16.6
93.07069	1.9
95.08553	1.8
97.02910	22.6
98.06066	1.7
99.04483	15.4
103.03958	3.0
103.05487	3.3
105.01877	30.0
105.07070	2.7
106.44983	1.4
107.05009	3.5
109.02889	28.1
109.10210	1.7
110.07167	3.3
112.08799	1.8
117.01839	2.2
118.06566	5.7
119.07336	15.1
120.08113	60.6
127.03935	60.4
129.01851	3.6
129.10231	2.1
134.04510	1.7
136.07591	86.2
137.05945	2.2
137.07939	2.1
145.04965	20.6
145.10054	2.0
145.68091	1.6
147.02913	3.3
159.02928	14.9
166.08665	3.2
189.03973	2.3
191.11868	16.2
213.03885	2.2
219.11290	1.8
225.34990	1.6
231.05074	11.7
366.19278	3.0
384.20575	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	383.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01243	2.7
53.03942	7.1
55.05508	18.3
57.07079	14.1
59.04985	8.6
63.04676	2.4
67.05502	28.9
69.03432	21.5
69.07062	8.9
71.04984	7.1
79.05502	36.2
81.07056	38.9
83.04967	7.5
83.08624	6.0
85.06544	6.0
89.38087	3.3
91.05473	49.7
93.06490	5.8
93.07047	100.0
93.07638	5.5
94.07398	2.4
95.04971	24.8
95.08606	41.9
97.06535	18.8
103.05467	3.0
105.04495	3.3
105.07034	83.7
107.04956	3.7
107.08590	44.8
109.06511	28.8
109.10162	24.8
111.08077	10.4
115.05476	4.5
117.07018	13.5
119.08585	52.8
120.09387	5.2
121.06500	18.2
121.10138	49.4
123.08080	36.4
123.11691	3.1
128.06215	9.2
129.06998	10.4
130.07816	3.0
131.08562	32.6
133.06496	8.1
133.10141	35.7
135.08073	27.4
137.05872	2.9
137.09650	14.3
141.07036	4.0
142.07774	22.8
143.08557	26.0
144.09326	7.7
145.06519	3.5
145.10130	48.0
147.08081	31.8
147.11729	16.6
148.08829	3.4
149.09622	24.8
151.07539	41.1
153.09114	3.9
155.08571	5.3
156.09373	7.9
157.10127	39.8
159.08034	8.9
159.11684	14.9
161.09610	23.5
161.13223	11.1
161.14490	2.8
163.11215	10.3
165.07028	4.4
165.09117	39.4
169.10130	9.1
170.10815	5.5
171.08109	3.9
171.11693	11.0
173.09607	11.9
173.13242	11.6
175.11200	21.3
175.14848	10.1
177.09120	10.9
181.12218	3.8
183.11772	8.2
185.09615	5.2
185.13229	20.7
187.11195	6.0
187.14795	4.9
189.12737	14.2
191.14299	4.7
195.11736	4.2
197.13278	8.0
199.11208	4.4
201.12883	6.2
203.14281	35.0
207.13837	11.8
209.13210	5.1
209.15265	3.4
211.11102	4.7
211.14883	4.4
213.12787	6.3
215.14314	9.4
219.13847	3.8
221.13493	3.5
221.15370	95.8
225.12781	3.0
227.14305	4.3
231.13736	5.2
233.15372	4.3
234.16109	13.8
243.13852	3.8
274.19205	2.9
281.19131	5.6
286.19104	6.2
287.20038	11.2
299.20111	4.2
303.19626	7.0
309.18481	6.2
365.24759	14.9
383.20587	9.3
383.25735	76.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.7
55.01868	3.9
55.05518	16.3
57.03433	2.7
57.07074	13.2
59.04993	6.3
65.03957	3.2
67.05515	35.5
69.03445	15.3
69.07072	13.2
70.95008	2.4
70.95327	4.6
71.04984	5.9
79.05502	29.9
81.07059	33.0
83.04967	9.0
83.08617	3.1
85.06531	8.6
91.05488	51.5
93.07055	100.0
95.04968	23.5
95.08610	40.0
97.06525	11.2
103.05500	3.7
105.04520	3.0
105.07042	77.7
107.08603	40.2
109.06550	25.2
109.10161	18.6
111.08068	6.5
115.05463	3.1
117.06979	13.9
119.08586	56.8
120.09393	5.4
121.06522	15.4
121.10161	52.4
123.08082	34.9
123.11698	3.9
128.06201	7.3
129.06990	10.7
130.07773	5.2
131.08595	27.4
133.06479	9.5
133.10135	25.7
135.08073	24.9
135.11690	6.0
137.09627	11.9
141.06982	7.6
142.07788	20.1
143.08589	18.4
144.09322	3.9
145.10120	34.9
147.08067	26.5
147.11697	16.4
148.08830	3.6
149.09653	33.4
151.07558	33.7
155.08533	8.7
156.09355	7.5
157.10149	36.3
159.08090	7.5
159.11714	17.1
160.08824	5.0
161.09631	18.5
161.13283	5.5
163.11198	6.6
165.09134	50.9
167.08650	3.9
169.10112	5.5
170.10944	4.4
171.08189	2.9
171.11688	8.9
171.47482	2.6
173.09637	10.4
173.13274	10.3
174.10463	2.7
175.11201	20.7
175.14810	7.2
177.09106	14.6
181.10219	3.3
183.11859	5.8
185.09563	3.4
185.13281	16.4
187.11198	3.2
187.14819	4.3
189.12741	10.9
191.14333	4.9
193.10107	3.8
195.11713	5.8
197.13228	6.0
199.11182	5.2
199.14719	3.5
201.12738	11.5
203.14354	28.5
207.11800	3.2
207.13820	12.2
209.13338	4.8
209.15262	3.2
211.14792	3.9
213.12682	5.1
215.10725	2.8
215.14392	5.1
216.15216	3.1
219.13828	12.2
221.13640	2.9
221.15382	83.2
223.14832	3.7
225.12769	3.0
229.12325	3.1
231.13844	4.5
233.15382	8.6
234.16208	21.5
239.14241	3.2
248.48735	2.7
249.16455	3.1
260.05515	3.0
281.19025	3.2
285.18851	2.9
286.19336	4.1
287.20114	7.2
299.20023	6.6
303.19556	10.0
306.11511	2.5
365.24811	10.6
383.25821	78.0
384.25787	3.1
401.22546	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	383.2583
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
51.02370	4.0
55.01859	6.7
55.05507	13.4
57.07078	7.5
57.65781	4.3
59.04999	9.6
64.34190	2.7
67.05505	28.7
69.03430	15.5
69.07066	7.0
69.72878	6.3
69.73293	11.6
71.04990	5.2
79.05504	34.5
81.07061	33.6
83.05003	4.3
83.08616	5.9
85.06538	4.3
91.05488	58.2
93.06487	6.1
93.07052	100.0
95.04973	28.5
95.08617	40.4
97.06529	14.0
98.25671	3.3
103.05449	4.0
105.07040	86.1
107.04904	3.8
107.08603	44.8
109.06526	27.7
109.10152	15.3
111.08090	7.4
112.81190	3.1
117.07010	12.0
119.08588	57.2
121.06506	13.9
121.10157	46.2
123.08078	30.0
128.06242	10.0
129.07028	16.6
130.07814	6.3
131.08600	29.4
133.06535	5.9
133.10114	31.4
134.81813	2.9
135.08070	29.2
135.11682	8.7
137.09619	11.6
141.06978	6.0
141.26373	3.2
142.07785	20.8
143.08586	31.2
144.09328	5.8
145.10135	33.7
147.08057	30.7
147.11716	16.3
149.09641	26.6
151.07555	40.3
155.08589	9.5
156.09354	12.6
157.10123	39.5
158.10783	4.5
159.08078	9.6
159.11705	19.4
160.08836	6.0
161.09669	21.7
161.13269	6.3
163.11201	10.8
165.09109	34.3
167.08531	4.2
169.10181	9.8
170.10934	6.6
171.11693	12.0
173.09590	10.3
173.13316	7.9
175.11229	21.9
175.14867	7.5
177.09117	13.1
179.10715	3.7
181.10175	4.1
183.11734	6.6
185.09592	6.7
185.13254	20.6
187.11188	5.4
189.12758	11.9
195.11652	6.0
197.13316	12.0
199.11160	4.8
201.12755	8.5
203.14322	33.4
207.13805	8.5
209.13461	3.9
209.15317	4.4
211.14754	3.8
213.12717	6.3
215.10725	3.5
215.14331	9.7
216.15196	3.2
219.13852	9.1
221.15390	82.3
223.14798	4.0
227.14215	7.6
229.12453	4.3
231.13744	6.3
233.15442	8.7
234.16174	19.6
237.14868	3.9
274.19193	4.1
281.18951	5.1
286.19235	7.9
287.19998	8.4
299.20056	6.8
303.19562	6.1
309.18631	5.9
365.24725	12.9
383.25888	76.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2583
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03940	6.9
55.05518	14.7
57.07085	7.1
59.04985	3.9
65.03936	4.3
67.05508	29.4
69.03427	17.2
69.07066	8.3
69.44704	22.6
71.04969	5.0
71.57706	2.6
76.39867	3.2
79.05502	28.7
81.07060	41.9
83.04993	7.7
85.06545	3.5
91.05486	52.3
93.06493	5.6
93.07054	100.0
95.04977	28.8
95.08614	42.9
97.06531	14.9
98.21559	3.0
105.04529	4.9
105.07042	85.2
107.04974	3.8
107.08595	47.8
109.06525	24.3
109.10145	14.1
111.08073	9.4
111.54595	2.6
115.05451	5.7
117.07011	14.6
119.08604	53.0
121.06559	14.1
121.10167	49.6
123.08089	31.5
128.06235	9.0
129.07013	12.7
130.07787	5.3
131.08582	28.3
133.06512	5.9
133.10143	32.1
135.08055	21.3
135.11690	3.2
137.05962	3.5
137.09612	11.6
141.06995	4.8
142.07819	18.9
143.08556	26.4
144.09380	4.9
145.06528	4.1
145.10139	41.5
147.08067	27.9
147.11674	17.8
148.08948	2.8
149.09642	31.4
151.07556	40.8
153.09116	6.0
155.08591	8.9
156.09344	9.0
157.10155	47.7
158.10930	3.3
159.08054	11.2
159.11731	14.5
160.08870	4.3
161.09653	24.4
161.13232	8.2
163.11214	6.7
165.09120	42.2
169.10147	6.0
170.10898	7.8
171.11694	9.9
173.09618	9.4
173.13245	7.6
175.11200	25.1
175.14832	10.1
177.09099	15.0
181.10097	2.9
183.11656	6.9
183.43706	3.1
185.13272	20.6
186.10529	3.0
187.11159	5.9
187.14761	4.3
189.12758	15.7
195.11620	5.3
197.13245	7.7
199.11197	3.7
199.14822	5.6
201.12769	10.3
203.14276	33.9
207.13860	15.0
209.13219	7.3
209.15250	5.9
211.14761	4.8
213.12724	4.0
215.14314	7.1
219.13831	6.2
221.13429	3.9
221.15372	81.4
225.12738	6.6
227.14299	3.5
229.12204	5.0
231.13760	5.1
233.15402	6.3
234.16171	18.0
237.14818	4.4
281.18985	4.9
286.19254	7.4
287.20151	13.4
292.45175	3.0
299.20163	6.4
303.19632	8.0
334.80679	2.8
347.23892	4.9
365.24664	15.7
383.25833	83.8
384.26221	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	383.2582
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03935	3.5
55.01853	2.8
55.05518	7.6
57.03430	1.0
57.07067	3.4
59.04993	3.2
63.53226	1.1
65.03926	3.5
67.05503	18.6
69.03416	5.4
69.07057	5.1
69.23122	1.0
70.57574	3.7
71.04984	4.4
79.05495	15.3
81.07062	17.4
83.04992	5.8
83.08609	1.6
85.06519	3.5
91.05483	100.0
92.05801	1.4
93.07046	39.0
95.04969	13.0
95.08605	18.3
97.06543	8.2
103.05446	1.8
105.04511	1.4
105.07033	31.1
107.04948	1.6
107.08596	17.5
109.06511	10.0
109.10167	10.6
111.08094	4.3
115.05450	2.0
117.06995	10.4
119.08587	23.1
121.06522	6.0
121.10146	18.9
123.08074	15.1
128.06247	5.4
129.07004	7.9
131.08565	20.0
133.06494	3.3
133.10133	12.6
135.08057	9.2
135.11676	2.8
137.06009	1.3
137.09584	4.9
141.06938	5.7
142.07780	7.2
143.08582	15.4
145.00856	1.2
145.06451	1.7
145.10141	17.3
147.08041	11.1
147.11664	7.5
148.08873	2.3
149.09631	8.2
151.07520	14.3
153.09131	1.3
155.08646	6.0
156.09335	3.4
157.09172	1.2
157.10162	13.5
159.08069	3.0
159.11670	7.0
161.09619	8.9
161.13245	3.3
163.11183	4.0
165.07030	1.7
165.09117	14.6
167.08543	3.1
169.10139	4.4
170.10835	2.0
171.11679	2.7
172.08789	1.3
173.09616	5.1
173.13249	4.4
175.11201	7.3
175.14806	4.0
177.09096	4.7
179.08560	1.9
181.10109	4.9
183.11707	3.3
185.09502	2.3
185.13287	5.9
187.11153	3.0
189.12747	5.8
193.10127	1.5
195.11751	2.7
197.13242	2.3
199.11162	2.4
199.14767	1.4
201.09125	1.2
201.12794	3.2
203.14336	11.4
207.11703	2.2
207.13736	4.2
209.13309	2.4
209.15315	2.3
213.12759	2.0
215.14323	2.0
219.13750	1.7
221.13376	1.7
221.15361	31.0
223.14778	1.7
224.42754	1.2
225.12901	1.2
227.14258	1.4
229.12190	1.7
233.15450	3.4
234.16158	5.5
251.28560	1.1
255.17676	1.3
269.18591	1.1
271.17065	1.6
281.18887	1.6
285.18484	1.4
286.19293	2.1
287.19965	1.9
289.09802	1.2
294.11661	1.1
299.20047	2.1
303.19446	3.9
347.23630	1.5
365.24673	6.1
383.20883	2.4
383.25833	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48116	1.3
53.03936	1.7
55.01887	2.3
56.05025	2.2
57.03429	4.0
61.02914	4.3
67.41444	1.6
69.03431	10.0
70.06593	6.3
70.84736	3.4
71.04964	2.0
72.08153	4.9
73.02923	2.5
74.02481	1.8
80.27486	1.7
81.03422	8.3
83.06089	1.6
84.04514	3.4
84.08136	5.1
85.02908	33.9
97.02899	10.9
99.04401	2.2
103.03969	3.1
109.02900	2.0
110.06007	1.7
110.07203	8.7
115.05432	1.6
118.06546	6.3
118.08656	2.1
127.03916	4.7
129.10269	1.8
130.06531	72.5
131.01892	1.4
132.04456	22.9
132.08104	5.9
134.06024	2.4
136.06187	1.6
136.07657	2.2
142.06532	1.7
144.06953	2.6
144.08069	28.9
145.05080	3.2
145.07610	24.6
146.06017	12.6
148.07579	5.9
154.06520	7.5
156.08064	3.7
157.07620	69.2
158.06020	52.9
158.08156	2.3
159.09186	7.3
160.07646	2.6
169.07628	9.5
170.06035	2.1
170.08388	3.4
171.06821	2.2
171.09180	10.5
172.07603	9.8
174.05508	10.8
175.08685	58.9
181.07605	4.5
182.08385	5.0
183.06798	1.9
183.09181	18.1
184.06155	2.3
184.07654	3.1
185.07141	10.8
186.05568	5.0
186.07878	3.0
187.08690	2.2
188.07114	2.1
190.08675	1.7
195.09116	2.8
197.06961	2.1
198.05481	1.6
199.08736	12.2
200.07080	20.3
201.10289	1.9
203.08163	100.0
204.06604	6.1
204.08366	2.4
206.40488	1.5
207.09174	1.8
209.07115	10.6
211.08778	1.8
212.07344	2.1
215.08173	5.2
216.08955	4.0
217.09731	34.3
221.09201	49.7
227.08121	12.1
228.06577	5.3
231.07570	6.9
239.03973	1.7
243.07619	1.8
245.09225	28.0
257.09143	2.2
263.10281	40.0
269.09296	2.6
275.10229	2.4
287.10162	2.6
299.10223	6.9
302.10068	1.8
323.06036	1.9
323.09607	1.9
329.11234	3.8
347.12344	11.5
348.10803	9.2
365.13458	29.4
383.09152	2.5
383.14508	24.2
383.19427	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	382.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.05517	3.3
67.05505	3.8
68.05018	3.3
69.07068	7.8
69.45078	0.4
70.06595	16.0
70.72548	0.6
70.72871	0.8
71.04981	0.6
79.05126	0.6
79.05499	5.4
80.05011	0.8
81.07059	7.5
83.08631	2.4
84.08116	1.0
89.47137	0.4
91.05471	6.3
93.07048	10.5
93.07632	0.8
94.06570	2.2
95.04977	1.0
95.08610	8.0
96.08141	4.3
96.98117	0.4
97.10173	0.7
98.06049	1.1
100.07621	5.6
103.05437	0.5
104.92500	0.4
105.07033	22.1
106.06580	1.1
107.07349	0.4
107.08597	6.1
108.08128	1.8
109.10173	3.6
114.05527	5.4
115.05452	1.0
116.06261	0.7
116.07095	10.1
117.07015	2.7
119.07293	0.7
119.08590	15.1
120.08131	4.2
121.08892	0.7
121.10161	6.5
122.09670	2.5
123.11726	1.3
128.06239	0.9
128.07088	6.7
129.06992	1.3
130.07770	1.1
131.08566	4.9
132.08064	0.8
133.09024	0.7
133.10130	7.3
134.09659	1.9
135.11700	1.6
136.11243	0.7
141.07007	0.6
142.07788	1.6
143.08583	4.3
144.09308	1.0
145.10121	8.7
146.09682	1.3
147.10580	0.9
147.11673	3.8
148.11198	8.3
148.12303	0.7
149.11990	1.3
149.13216	0.7
151.06293	2.1
154.08658	1.9
155.08572	1.9
156.09332	1.4
157.10155	4.3
159.11693	4.3
160.11237	1.3
160.37387	0.4
161.13272	1.7
162.12788	1.2
164.07080	1.2
166.08614	1.6
166.12193	0.5
167.08603	0.7
168.10222	24.8
169.10081	2.4
170.10869	0.9
171.11719	5.5
173.13219	2.8
174.12762	0.8
175.14850	3.7
177.16386	2.9
178.08649	6.3
181.10042	0.6
183.11679	2.6
185.13268	4.0
187.14838	1.9
188.14378	0.7
189.16409	2.6
192.10190	4.5
194.11766	14.0
195.11884	0.7
196.12437	0.8
197.13278	3.8
199.14809	2.1
201.16484	0.9
206.11816	2.0
208.13474	0.5
209.13231	0.8
211.14851	3.0
213.16386	0.9
224.15877	0.5
225.16377	0.9
230.11667	0.6
232.13412	1.1
234.14923	2.1
237.16399	2.6
241.19473	1.1
244.13350	1.0
246.14856	0.5
258.15057	0.9
267.21109	1.7
269.22757	1.1
290.21146	6.1
352.22678	1.0
367.25308	0.5
382.27420	100.0
383.27670	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	382.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.05506	3.1
56.05038	1.1
57.07061	1.5
67.05511	5.1
68.05038	4.5
69.07073	6.5
70.06599	16.6
71.04978	0.9
71.50648	1.2
79.05496	8.1
80.04987	0.8
81.07059	8.9
83.08614	2.2
84.08142	1.1
91.05479	9.5
93.07052	10.7
94.06557	2.4
95.04951	0.8
95.08614	8.3
96.08144	5.1
98.06059	1.5
100.07635	5.5
103.05473	0.8
105.07041	23.4
106.06571	1.1
106.07262	0.8
107.07366	0.8
107.08598	8.8
108.08128	2.7
109.06497	1.0
109.10143	4.5
114.05538	6.5
116.07107	11.2
117.07047	2.5
119.08594	20.0
120.08140	4.8
121.06497	0.9
121.10154	6.8
122.09673	2.9
123.11723	2.1
128.06244	1.6
128.07086	6.5
129.07008	1.7
130.07761	1.1
131.08566	5.7
133.09033	1.4
133.10146	9.7
134.09651	2.4
135.11691	1.0
136.07626	0.8
136.11214	1.4
141.07004	1.3
142.07799	1.6
143.08562	4.0
145.10138	11.1
146.09639	1.6
147.11723	4.3
148.11226	9.8
149.12065	0.8
149.13260	0.7
151.06284	1.5
154.08641	2.4
155.08571	2.0
156.09367	1.8
157.10135	5.9
159.11708	5.5
160.11165	1.4
161.13283	1.4
162.12767	2.0
164.07047	1.7
166.08665	1.6
168.10216	22.6
169.10149	2.3
170.10886	0.8
171.11673	5.1
173.13268	3.3
174.12747	1.1
175.14832	2.9
177.16388	3.1
178.08633	5.7
181.10069	0.9
183.11731	3.5
184.07323	2.1
185.13297	4.1
187.14864	1.2
188.14459	0.8
189.16399	1.9
192.10175	3.6
194.11784	15.7
195.11821	1.0
197.13226	3.9
199.14899	1.4
201.16396	1.0
206.11766	1.9
208.13486	0.8
209.13376	0.8
211.14839	3.2
212.14337	0.8
224.84212	0.8
234.14975	1.8
237.16505	1.6
239.17984	0.9
241.19550	1.3
267.21185	1.8
290.21204	7.0
352.22772	0.9
382.27423	100.0
383.27652	4.9
384.21295	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.05507	3.4
57.07075	1.6
59.05013	4.7
59.49720	0.7
67.05502	4.8
68.05035	3.9
69.07069	8.3
70.02121	2.6
70.06600	16.0
79.05493	7.1
79.61111	0.7
81.07066	8.3
81.61686	0.6
83.08610	1.6
91.05484	8.0
93.07044	9.6
94.06566	2.2
95.04992	0.8
95.08612	10.5
96.08124	3.9
97.06499	0.6
97.10180	0.6
98.06060	1.1
100.07626	5.6
103.05456	0.9
105.07043	21.7
106.06552	1.1
107.07346	0.8
107.08598	8.6
108.08122	1.9
109.06528	0.7
109.10159	5.4
114.05525	5.3
115.11208	1.1
116.07101	8.9
117.07033	2.2
117.53301	0.6
119.08583	19.0
120.08118	4.3
121.08822	0.6
121.10155	8.0
122.09708	3.6
123.11687	2.3
128.06233	1.2
128.07080	6.6
129.07001	2.1
130.07825	0.6
131.08572	6.9
133.09102	1.0
133.10136	9.4
134.09641	2.2
135.11711	2.0
141.06923	0.7
142.07777	1.4
143.07571	0.9
143.08563	5.0
144.09293	0.9
145.10136	9.1
146.09619	1.3
147.11697	4.8
148.11229	8.4
149.12042	0.7
151.06305	2.1
154.08688	1.4
155.08572	3.7
156.09351	2.1
157.10127	5.0
158.10800	0.6
159.11716	5.5
160.11198	1.7
161.11987	0.9
161.13277	1.6
162.12706	1.1
164.07086	1.5
165.47081	0.6
166.08760	0.8
167.08582	0.9
168.10233	19.9
169.10095	4.5
171.08051	2.2
171.11697	5.3
173.13264	4.2
173.15379	1.5
174.12729	0.8
175.14848	4.6
177.16406	2.6
178.08690	6.3
181.10097	0.9
183.11729	2.2
183.68399	0.6
185.13240	4.7
187.14874	1.6
189.16396	1.6
192.10191	3.8
193.10034	0.7
194.11797	13.0
195.11746	0.9
197.13275	3.8
199.14836	1.7
200.14264	0.8
201.16536	0.9
205.10178	2.2
206.11778	2.2
209.09709	0.7
211.11217	0.7
211.14847	3.5
213.16330	0.8
221.09666	3.0
223.11220	0.9
225.16290	0.9
229.10106	0.6
231.11740	0.7
232.13330	1.4
234.14886	1.9
235.11116	0.8
237.16440	2.3
241.19478	1.0
241.55896	0.7
243.11621	1.5
245.09605	1.2
245.13431	1.1
246.14671	0.8
257.13275	1.3
258.10367	0.9
259.11099	1.3
260.11966	1.0
261.12820	2.4
263.14120	1.2
267.21030	3.2
269.13284	0.7
271.11270	1.2
271.14941	0.9
272.12082	1.5
273.12897	1.2
273.16428	0.8
275.14267	1.9
283.11102	1.8
284.11905	1.7
285.12720	1.3
287.14304	1.2
288.19623	0.8
289.15848	0.7
290.21115	6.1
297.12769	1.9
297.16034	0.8
298.13535	3.1
299.14374	4.2
299.17361	0.9
301.15976	1.0
311.14322	1.8
312.15146	1.8
313.15921	2.8
314.16623	1.5
314.20068	0.8
325.15945	1.5
326.16541	1.1
327.17535	2.2
338.16818	0.8
340.18475	0.8
341.19162	1.4
353.19113	3.2
368.21402	3.7
382.27426	100.0
383.23682	32.2
383.27762	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	381.279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.1
55.05509	8.0
57.03439	3.3
57.07074	2.0
65.03957	1.7
67.05514	14.4
69.03432	6.7
69.07081	13.0
69.18777	1.2
69.82024	1.2
70.57938	3.7
71.04979	4.3
79.05507	12.8
81.03416	2.1
81.07063	31.1
83.04982	5.9
83.08625	4.2
85.02934	2.7
85.06513	1.3
91.05476	10.7
93.07044	23.1
95.04986	13.6
95.08611	27.5
97.06539	3.8
97.10186	2.7
97.52669	1.3
98.21531	1.4
99.04461	5.7
100.01662	1.2
105.07042	25.9
107.08614	23.6
109.06509	5.3
109.10167	19.1
111.04459	6.2
111.11744	1.4
111.12943	1.5
113.06010	1.6
117.07036	7.3
119.07721	2.0
119.08582	31.1
121.06494	2.6
121.10147	14.3
123.08080	3.7
123.11717	7.7
128.06277	2.4
129.07007	4.9
131.08592	13.5
133.06444	1.3
133.10156	16.6
135.08067	4.3
135.11697	8.7
137.09636	2.0
137.13249	3.1
141.07037	2.4
142.07796	4.0
143.08589	11.6
145.10133	21.2
147.08069	3.3
147.09868	1.6
147.11714	10.3
149.09647	2.4
149.13269	6.4
151.07588	2.9
153.07074	1.6
155.08540	7.9
156.09392	3.7
157.10146	18.9
159.08049	4.3
159.11703	20.3
161.09651	3.8
161.13275	8.5
163.11278	2.2
163.14841	5.1
165.07097	1.5
167.08604	4.6
167.10614	1.7
168.09399	2.0
169.10117	11.6
171.11702	12.8
173.09653	4.2
173.13277	9.5
175.11217	2.8
175.14857	4.3
179.08449	2.0
179.10689	1.4
180.09215	2.0
181.10123	5.2
182.10959	1.9
183.11693	12.9
185.09665	2.9
185.13246	10.2
187.11340	1.8
187.14836	5.6
189.12802	2.6
189.16510	3.2
193.10153	2.5
194.10927	3.0
195.11720	8.2
196.12413	1.9
197.13269	13.0
199.11191	2.6
199.14839	9.4
201.12727	3.0
201.16447	5.7
203.18002	2.0
207.11787	3.6
209.13365	7.5
211.11180	1.6
211.14847	7.4
213.12785	2.9
213.16428	8.9
215.14334	3.6
215.17984	3.8
221.13257	3.0
223.14740	6.3
225.12766	2.9
225.16411	5.5
227.14384	3.4
227.17979	3.5
229.19711	2.0
235.14888	4.0
237.16435	5.3
239.14375	3.2
239.18016	4.3
241.15875	4.1
241.19479	2.2
243.17462	1.6
245.15611	1.9
249.16388	3.0
251.17924	4.6
253.15796	1.8
253.19579	3.3
255.21127	2.2
263.17868	3.2
265.19547	2.8
267.17438	2.1
267.21033	3.9
269.22705	4.5
270.23566	2.5
271.16818	2.3
277.19550	2.1
279.21112	3.5
281.22568	3.4
283.20560	1.6
283.24222	1.8
285.18610	2.8
285.21823	1.4
291.21069	2.0
293.22723	7.9
295.20999	1.6
295.24335	4.6
305.22726	7.5
307.20813	2.0
307.24158	6.1
309.25934	1.9
319.24200	2.5
321.25867	2.2
323.23801	6.2
325.21600	1.6
335.27402	4.2
337.25342	5.0
339.23001	1.5
345.25766	4.1
353.28461	1.6
363.26917	23.0
381.27899	100.0
382.28363	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	381.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.7
53.51694	2.0
54.85714	1.8
55.01876	2.6
55.05524	9.9
57.07067	4.0
59.95620	1.8
63.91147	1.8
65.75383	1.9
67.05515	17.5
69.03437	6.2
69.07082	14.2
71.05003	2.8
71.50287	3.0
71.51906	2.0
72.71944	1.7
79.05501	11.2
81.03420	2.8
81.07066	35.5
83.05006	5.8
83.08623	5.9
85.06535	3.2
91.05484	12.3
93.07056	27.2
95.04987	14.1
95.08618	30.5
97.06557	3.6
99.04482	6.3
105.07034	27.6
107.04990	2.3
107.08614	22.3
109.06543	5.8
109.10164	17.5
111.04452	5.3
111.08123	2.1
117.07031	6.6
119.08602	32.6
121.06498	2.9
121.10152	16.9
123.08076	7.1
123.11740	8.4
129.07028	4.8
131.08603	15.1
133.10114	15.1
135.08092	2.7
135.11705	9.2
137.06001	2.9
137.13266	3.4
142.07799	7.8
143.08548	16.5
145.06377	2.2
145.10130	23.9
147.08073	3.6
147.11725	14.8
149.09624	3.3
149.13277	6.9
151.07588	3.7
155.08574	9.6
156.09351	4.7
157.10133	25.7
159.08087	4.7
159.11719	19.7
161.09657	2.5
161.13284	8.0
163.11298	3.0
163.14880	4.3
167.08554	4.3
169.10141	11.5
170.10922	3.1
171.11716	15.5
173.09637	4.1
173.13303	11.4
175.11185	2.5
175.14856	7.1
177.09119	2.4
177.12753	2.2
177.16376	2.7
181.10213	6.6
183.11694	11.6
185.09633	2.7
185.13295	15.0
187.11269	3.3
187.14906	6.3
189.16467	3.9
193.10237	3.0
195.11688	10.0
197.13268	9.8
199.11183	4.4
199.14900	6.1
201.12823	4.6
201.16429	7.1
207.11716	3.1
209.13298	8.2
211.11250	3.0
211.14850	12.1
213.12790	4.8
213.16411	6.7
215.17986	3.7
221.13354	3.4
223.14864	5.6
225.12802	2.3
225.16438	8.4
227.14418	2.4
227.17908	4.3
229.15918	2.1
233.13297	2.3
235.15001	3.5
237.16432	6.2
239.17929	4.4
241.15970	2.8
241.19548	2.5
245.15355	2.5
249.16396	2.4
249.76913	2.2
251.18057	4.6
253.19609	5.0
255.17407	2.2
255.21280	2.5
257.15344	2.2
263.18149	3.1
265.19611	4.5
267.21075	4.1
269.19312	1.9
269.22717	4.3
275.17844	3.1
277.19504	2.2
279.21237	3.0
281.22650	2.7
283.24396	2.1
293.22647	6.1
295.24368	5.9
297.18448	2.5
305.22723	8.0
307.24280	8.3
319.24194	3.2
321.25818	3.0
323.23862	7.2
325.21695	3.3
335.27420	4.5
337.25366	4.9
345.25992	5.3
363.26892	24.6
381.24057	9.1
381.27982	100.0
382.28210	2.7
402.08780	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	381.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.3
55.01861	8.1
55.05515	53.6
57.07074	4.7
59.05019	4.3
61.08987	3.3
67.05500	34.2
69.03432	25.9
69.07066	14.5
71.04992	11.2
71.13673	3.1
79.05495	26.0
81.03405	3.2
81.07059	24.9
83.04992	19.3
83.08622	52.2
85.06515	5.4
87.04440	3.1
90.61437	3.6
91.05485	52.3
93.07046	40.9
95.04974	77.4
95.08611	49.3
97.06534	61.9
97.10163	3.0
105.07034	45.5
107.08604	54.4
109.02899	3.4
109.06519	10.2
109.10155	13.2
111.04436	3.8
111.08110	15.3
113.09665	31.3
115.05465	4.7
117.07039	21.3
119.04897	5.9
119.08588	33.3
121.06523	14.3
121.10145	16.4
123.08125	16.5
123.11699	3.0
125.09654	27.2
127.11190	3.4
128.06235	11.6
129.07019	19.2
130.07784	10.4
131.08577	34.3
133.06503	3.9
133.10127	18.1
135.08041	11.2
135.11714	4.7
137.06036	3.4
137.09612	6.1
139.11174	17.4
141.07010	12.7
142.07813	18.4
143.08583	33.4
144.09340	11.2
145.06511	9.8
145.10110	43.5
147.08064	18.4
147.11713	8.2
149.09639	8.9
153.09113	3.8
153.12738	5.1
155.08548	16.5
155.10652	13.9
156.09387	15.5
157.10129	46.8
157.94449	3.5
158.07327	6.2
158.10867	4.7
159.08080	30.2
159.11739	13.5
161.09624	7.6
165.07008	14.4
166.07782	4.3
167.08612	9.9
169.10161	22.9
170.10933	9.1
171.08083	9.7
171.11681	32.3
172.08847	9.7
173.09651	22.6
173.13263	3.1
175.11183	6.1
177.12718	3.6
179.08588	16.6
180.09370	10.4
181.10150	12.0
181.12166	18.4
183.11708	12.8
185.09602	7.3
185.13229	21.6
187.11240	9.2
189.12743	8.2
193.10207	9.0
194.10841	8.1
195.11716	37.2
195.13564	5.8
196.12489	6.5
197.09694	6.9
197.13252	11.8
198.10349	7.7
199.11243	6.8
199.14864	8.9
201.12762	3.8
207.11710	11.5
207.13702	4.7
208.12517	4.6
209.13264	22.7
211.11235	4.4
211.14912	8.1
212.12233	4.2
213.12718	40.0
221.13272	12.6
223.11327	4.7
223.14825	9.2
225.12863	9.7
227.14323	12.1
231.11710	4.5
232.24670	3.2
233.13289	5.5
233.15388	9.3
235.14754	5.1
237.12701	6.8
237.16505	5.6
239.14349	10.7
245.15381	6.2
261.16226	5.5
272.17731	7.8
275.16541	4.0
279.17551	9.3
281.19070	11.1
283.16910	4.1
297.18445	11.1
298.19299	21.9
299.20078	5.6
305.18988	6.8
323.20068	4.4
345.22330	4.3
363.23236	6.9
381.24258	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36962	4.1
69.41766	30.3
70.89776	4.1
82.40044	3.8
112.91103	3.9
125.82932	4.8
165.80786	4.0
166.84056	6.2
174.52094	4.0
199.30829	4.4
207.09377	4.7
222.55681	4.7
241.09021	4.1
299.16592	4.2
349.02286	4.3
381.07925	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0796
Annotation	Unknow
Peak:m/z	Relative Intensity
60.71026	4.7
66.94050	4.5
69.41412	7.2
69.41814	35.9
75.21265	5.3
104.79993	4.8
138.02248	5.0
153.09543	4.7
183.46249	5.3
215.51192	5.1
219.02655	6.0
327.35934	5.3
381.07947	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.3
55.01891	1.4
55.05501	4.6
57.03433	2.1
59.04990	1.8
65.00284	1.3
65.03934	2.7
67.05513	16.0
69.03424	7.0
69.07079	9.4
70.06596	6.8
71.04999	5.9
71.50747	2.1
72.08160	4.9
79.05503	10.9
81.03423	89.1
81.07065	28.7
83.04980	4.0
83.08621	4.9
84.04506	3.4
84.08149	4.1
86.09703	1.6
91.05491	13.3
93.07053	21.0
95.04960	6.9
95.06061	1.6
95.08612	26.9
97.06545	2.8
97.10195	2.4
99.05596	1.7
105.07030	29.4
107.08603	27.0
109.06536	3.5
109.10167	21.1
109.84931	1.4
111.08084	3.6
115.78620	1.4
117.07030	9.5
119.08588	22.2
120.08071	1.6
121.10146	12.5
123.11737	3.7
129.07037	1.6
129.10258	2.4
130.05043	2.8
131.08594	19.1
131.55888	1.5
133.06601	1.6
133.10149	14.1
135.08064	1.9
135.11678	21.5
137.09630	1.8
137.13257	10.4
143.08635	1.5
145.06113	1.9
145.09062	2.3
145.10139	29.7
147.11699	6.2
149.09637	1.7
149.13251	5.1
151.14871	1.8
159.11690	27.3
161.13249	5.2
162.08786	8.3
163.11269	2.6
163.14812	2.1
173.13266	10.1
175.14851	17.0
191.17975	6.1
201.16403	40.3
208.16977	2.3
219.17462	100.0
251.21184	3.4
281.86600	1.8
305.08487	1.3
309.39111	1.3
362.24429	3.4
364.33041	1.3
380.18427	2.0
380.25583	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	380.2181
Annotation	Ile Phe Thr
Peak:m/z	Relative Intensity
50.67178	0.6
53.03959	0.6
55.05514	2.8
56.05040	2.0
58.06596	0.8
60.04527	1.1
65.03944	0.6
68.05070	0.6
69.03438	0.7
69.07071	8.0
70.02978	0.5
70.06599	14.1
71.06924	0.9
72.08161	20.1
73.08498	1.2
74.02431	0.6
74.06085	1.6
79.05521	0.7
82.06587	0.6
84.04508	4.3
84.08147	11.5
85.02921	1.2
85.06527	0.8
85.08477	0.8
86.09712	86.9
87.10025	1.3
88.04007	1.4
89.10818	0.6
91.05490	1.8
93.07056	0.9
95.05000	0.7
95.06099	1.5
96.04515	0.6
97.06530	0.8
98.06051	0.6
102.05561	1.9
103.05489	2.8
105.07049	0.9
107.04942	0.8
110.07153	2.4
112.08729	0.7
112.11253	0.8
115.08690	1.1
116.07087	1.4
119.08611	0.8
120.06657	2.4
120.08113	100.0
121.08442	1.8
123.04471	0.6
127.03916	0.6
129.10239	4.2
130.04980	1.9
130.08685	1.1
131.08557	0.6
133.10094	0.6
136.06206	1.0
136.07605	1.7
143.11801	1.4
145.10109	1.6
147.04465	1.0
151.11194	0.7
156.07755	1.1
159.11670	0.8
163.03870	0.9
166.08678	1.4
187.10783	1.1
194.17091	0.7
201.16351	1.7
215.10243	0.9
215.13898	0.9
233.16516	39.9
234.16762	0.7
249.12378	6.6
261.16055	10.0
267.13409	5.3
281.11093	0.9
362.20551	2.4
363.19315	0.8
380.14877	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	380.2179
Annotation	L-valyl-L-tyrosyl-L-valine
Peak:m/z	Relative Intensity
55.05516	8.0
56.05040	1.2
57.05814	0.8
60.04524	0.5
70.03870	0.4
70.06597	6.2
70.70844	0.6
70.71174	0.7
72.08160	100.0
73.08500	0.9
74.06060	0.6
84.04516	1.6
84.08155	4.0
86.09718	3.4
91.05496	1.0
93.07066	0.6
95.04932	0.5
95.06107	0.9
100.07648	1.0
103.05487	0.6
110.07167	1.2
112.08768	0.6
112.11279	0.6
115.08737	0.7
115.95116	0.4
116.01683	0.4
116.07108	0.9
119.05036	0.5
120.08117	34.0
121.08469	0.5
123.04454	1.3
129.10257	2.3
136.07591	4.5
138.64343	0.5
141.10359	0.5
147.04497	0.7
165.05519	1.8
171.14940	30.3
172.15346	0.8
182.08142	4.7
183.10133	0.6
199.14442	14.1
201.11285	0.5
219.14954	9.0
247.14436	3.0
281.11441	3.1
281.15091	1.8
289.71896	0.4
380.18399	0.5
381.20358	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	380.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04787	1.2
56.05040	12.3
56.91072	0.8
57.03424	1.0
58.06609	7.3
69.60052	4.8
70.06593	4.1
72.08145	2.3
73.04034	1.8
74.06089	23.8
79.45755	1.0
81.07040	1.6
84.04507	10.4
84.08129	2.3
86.06065	1.6
86.09224	1.3
86.09719	19.5
89.61526	0.9
91.05482	5.3
92.44808	0.9
101.07148	23.9
103.05471	3.3
105.07025	3.0
107.08628	1.2
117.06980	2.1
119.07329	4.3
120.08114	96.1
121.08463	1.3
130.06526	3.8
132.08087	5.4
132.10178	2.6
136.06181	1.7
142.12291	2.3
143.11758	1.1
158.09669	14.5
160.07581	1.5
160.11249	2.2
166.08669	1.1
176.10725	16.4
177.10220	5.4
187.14435	25.6
193.68002	0.8
203.11784	1.2
215.13834	6.4
221.12866	100.0
222.13141	2.1
249.12346	18.0
250.12741	1.1
279.17108	9.3
365.97244	0.9
376.17676	1.0
380.21759	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24023	3.1
55.01876	5.9
55.05516	7.5
58.39136	3.6
60.04482	3.4
63.53765	3.0
67.05516	16.8
69.03436	4.7
69.84743	20.4
70.06580	14.8
71.05000	44.3
72.08164	26.6
81.03413	4.8
81.07077	5.3
83.04961	7.3
84.04482	3.3
84.08161	17.2
85.02913	11.8
85.06547	11.4
86.09715	7.8
86.46151	3.6
87.04497	16.0
91.05496	17.2
93.07039	14.1
95.04979	7.7
95.08584	5.2
99.04472	4.2
101.02406	3.9
105.07034	13.5
109.10170	5.2
113.06026	26.7
115.03922	9.0
119.08612	16.0
120.08127	14.4
121.06484	4.3
123.08063	38.2
129.10229	10.3
130.04976	5.0
135.08086	5.6
136.07602	5.1
137.09610	32.5
147.08012	10.2
153.09210	5.5
165.09111	48.9
171.14952	8.2
183.10173	100.0
201.11247	82.9
239.91270	3.3
247.63023	3.4
338.51422	3.4
343.36713	3.5
380.18652	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	380.192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87738	1.6
55.01866	2.6
55.05510	2.8
61.02908	1.8
67.05504	16.9
69.03429	3.8
69.57214	9.7
69.57627	3.4
70.06591	8.4
71.04999	1.9
72.08151	7.8
74.06087	3.5
79.05488	3.3
81.03428	2.5
81.07063	12.3
84.04518	2.8
84.08148	4.9
84.44496	1.7
85.02905	13.1
86.09693	5.0
91.05481	4.5
93.07027	3.5
95.04983	3.9
95.08622	9.1
97.02901	3.2
97.06508	2.2
99.04469	2.6
101.07171	2.5
107.08640	3.6
109.10162	65.1
110.07152	1.8
119.08588	2.9
120.08119	16.8
121.10144	1.9
125.06014	8.3
127.03873	2.3
129.10207	2.3
137.09625	100.0
138.09987	2.0
145.05005	2.1
155.10674	32.8
165.09119	51.5
176.10728	3.0
180.08598	3.4
183.10156	30.5
201.11227	93.0
212.79688	2.2
221.11024	2.7
221.12813	13.7
249.12259	3.0
313.16177	1.8
330.18585	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	380.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11636	0.7
54.93322	0.7
55.05504	2.1
56.05032	1.4
60.04520	0.9
67.05527	1.1
70.01137	2.3
70.02945	2.2
70.06595	19.3
71.05006	1.0
71.06922	0.7
72.08154	19.9
81.07070	0.8
84.04517	2.4
84.08142	7.9
85.02915	1.0
85.08501	0.7
86.09710	18.2
88.04003	5.8
89.10764	0.8
91.05482	6.9
93.07064	2.0
95.06085	1.0
97.06565	0.8
98.02430	1.4
98.06025	0.7
103.05464	4.8
110.07194	1.5
110.19501	0.7
112.11246	0.7
116.07108	1.1
118.08631	3.7
119.07332	1.2
120.08111	100.0
121.08459	1.5
127.08702	1.0
129.10231	5.7
130.05032	1.0
130.06528	16.8
130.07494	0.9
131.04936	0.9
139.08730	0.8
141.82823	0.8
144.08095	5.0
147.04376	1.0
154.79237	0.7
163.03873	0.8
172.07578	6.1
175.08704	11.0
186.12471	1.1
187.07573	2.2
187.12770	1.2
188.07901	3.0
190.08659	4.9
200.07205	0.9
201.04988	0.8
215.07031	2.3
215.14111	1.1
215.74345	0.7
216.07384	4.0
217.09766	5.0
218.08087	1.9
233.11438	1.4
233.16521	7.6
234.08415	1.0
235.10779	55.3
236.11169	1.1
242.09131	0.6
243.10635	0.6
245.09254	0.8
249.12402	1.3
260.09970	0.8
261.15915	1.6
263.10287	9.4
265.15353	1.2
283.98331	0.7
304.17270	0.7
309.50372	0.7
330.18823	1.8
362.21112	0.9
381.15332	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23566	0.5
53.03926	0.6
55.01869	0.9
55.05511	3.2
56.05023	1.2
57.03434	0.6
58.06599	0.8
60.04513	1.2
61.22081	0.6
62.72031	0.6
64.78856	0.6
67.05494	1.2
69.07077	0.7
70.00787	1.1
70.01180	1.5
70.02957	2.7
70.06599	18.2
71.04987	0.8
71.06939	1.1
72.08163	22.8
73.08491	0.8
74.06084	0.8
81.03433	0.7
84.04507	2.6
84.08150	10.5
86.09711	18.8
87.10066	0.8
88.03989	6.8
89.10793	0.9
91.05491	8.2
93.07046	1.2
95.06097	0.8
98.02437	1.9
98.06079	1.1
98.21544	0.6
102.05535	0.8
103.05474	4.4
107.10703	0.6
110.07169	1.0
112.11253	1.0
115.08662	0.7
116.07098	1.7
118.08675	3.0
119.04997	0.7
119.07298	1.3
120.08115	100.0
121.08424	1.0
121.10313	0.6
129.10249	6.4
130.06535	15.7
130.07500	1.0
131.08556	0.8
136.06206	0.6
138.38792	0.6
141.10298	0.7
143.08545	0.7
144.08098	5.5
147.04411	1.0
152.07037	0.8
158.05969	1.1
172.07579	6.5
175.08691	11.9
176.07062	0.6
177.05562	0.7
182.05888	0.6
186.12372	1.0
187.07582	2.3
187.10748	1.3
187.12518	0.8
188.07878	3.0
190.08644	6.0
191.11748	0.9
198.06230	0.8
200.04604	1.1
200.07036	1.4
201.05244	0.8
215.07042	2.4
215.14009	0.8
216.07416	3.8
217.09727	5.4
218.08220	1.8
233.11349	0.9
233.16533	5.4
235.10797	56.0
236.11084	1.2
245.09360	1.2
249.12383	1.2
261.15994	1.5
263.10281	9.5
265.15457	1.8
267.13589	1.2
330.18994	2.0
360.15656	1.3
362.20792	1.0
373.83948	0.7
381.15506	1.2
400.60098	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.2
54.51077	1.5
55.01891	1.5
55.05516	11.3
57.03424	2.5
57.07075	6.6
67.05512	34.2
69.07074	13.8
71.08639	39.7
71.51453	2.7
79.05498	34.3
81.03398	3.9
81.07066	39.7
83.05000	8.3
83.08610	8.0
91.05489	25.0
93.07056	56.6
93.07648	3.2
95.04435	1.8
95.04957	9.2
95.08620	28.0
97.06536	8.4
97.10191	3.4
99.08102	32.3
105.07040	18.0
107.04967	6.3
107.08606	29.7
109.06512	2.2
109.10172	6.7
110.42513	1.9
111.08112	2.0
113.09658	3.1
117.07024	3.8
119.08600	16.2
121.10152	26.8
123.11752	2.0
129.07033	2.6
131.08568	3.4
133.10179	11.1
135.11703	33.6
137.09622	2.9
137.24837	1.7
140.63922	1.7
141.09132	5.1
145.10153	5.9
147.11673	5.7
149.13289	10.7
151.11191	10.8
152.97614	1.7
157.10085	3.6
159.11742	4.3
161.13243	10.7
163.11249	4.2
168.41011	1.6
171.11716	3.3
175.14836	1.6
177.12796	3.9
179.14328	100.0
180.14717	1.7
185.13228	1.8
189.12820	2.8
195.13914	2.0
199.14896	2.0
221.15344	3.5
235.16891	3.2
241.59865	1.6
259.20569	4.4
277.21646	42.9
293.72150	1.5
295.22711	1.9
312.84900	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	379.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07259	2.7
53.03942	4.2
55.01883	17.3
55.05519	22.9
57.03433	4.4
57.07061	9.8
65.03920	4.6
67.05508	63.4
67.64603	2.5
69.03445	6.1
69.07072	65.8
69.46835	17.6
71.04984	9.9
79.05498	56.8
80.05807	5.2
81.03399	6.6
81.07064	100.0
83.04980	13.8
83.08633	16.2
85.02865	2.7
85.06554	7.9
85.10176	3.5
91.05489	39.6
92.05768	3.1
93.06487	4.0
93.07054	65.9
94.07344	4.9
95.04963	9.7
95.08612	58.6
96.08937	3.3
97.06541	16.9
99.08084	10.2
100.84096	2.4
105.04571	2.7
105.07034	40.2
106.07370	3.1
107.04959	4.5
107.08607	51.4
109.06522	10.5
109.10165	18.5
111.04459	5.2
111.08095	7.7
117.07018	10.0
119.08613	27.5
120.08997	4.6
121.09305	4.9
121.10143	46.5
123.08074	11.5
123.11697	10.4
125.09646	35.8
129.07071	5.4
131.08601	16.4
132.08897	3.3
133.10135	23.8
134.10510	3.4
135.08067	4.2
135.11716	42.6
137.09598	4.6
143.08562	8.4
145.10153	16.9
147.08022	3.5
147.11722	28.8
149.09596	3.3
149.13295	17.9
151.11154	3.9
155.08627	3.2
157.10101	9.5
159.08005	2.8
159.11729	14.5
161.13277	16.0
162.13463	2.7
163.11171	5.8
163.14807	8.3
165.12798	8.1
169.10098	4.9
171.11710	14.5
173.13213	8.2
175.00121	2.6
175.14799	5.3
177.12737	3.1
179.00681	3.1
179.14355	3.9
181.12233	3.3
181.15807	2.8
183.11728	3.6
185.13242	6.7
189.12654	4.3
197.13354	3.2
199.14891	3.5
207.13553	2.8
208.08290	2.8
209.15263	2.9
213.16309	4.9
235.16956	5.3
241.19496	11.2
253.19490	2.8
259.20587	13.9
277.21689	59.8
278.21744	3.2
295.22720	3.8
297.36835	2.6
303.73593	2.6
361.23004	3.0
361.30850	4.4
379.26154	21.7
379.32208	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2846
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03947	2.5
55.01865	1.7
55.05518	6.7
57.07079	15.8
59.04993	1.8
67.05512	10.0
69.03401	1.8
69.07077	35.4
69.40813	6.9
71.04989	0.9
71.08639	6.4
73.06554	2.0
76.81192	0.8
79.05497	9.9
81.03394	2.1
81.07057	14.9
83.04940	1.0
83.08616	2.9
85.06542	4.8
85.10201	4.4
89.06033	18.5
91.05479	11.1
93.07048	26.8
95.04962	3.3
95.08623	11.7
97.06530	2.1
97.10194	1.6
98.21468	2.0
101.09666	19.0
104.92725	0.8
105.07034	8.3
107.08601	33.1
109.06529	7.7
109.10143	4.7
111.08063	3.6
117.07026	2.6
119.08603	5.1
121.06476	2.6
121.10152	10.7
123.08057	6.2
125.06002	1.4
125.09615	5.3
129.07024	1.7
131.08563	2.7
133.06477	1.2
133.08604	7.2
133.10143	3.6
135.08063	29.6
135.11708	3.1
137.05978	5.5
137.09573	2.1
139.07547	9.8
143.08591	1.2
145.10124	3.3
147.08014	1.5
147.11639	1.6
149.09653	4.6
149.13249	8.2
150.06743	2.6
151.07503	1.3
151.11179	1.6
152.08351	5.5
153.09071	1.6
157.10127	1.4
159.11739	1.5
161.09676	1.8
161.13191	1.4
163.11176	1.5
165.09111	21.8
165.10487	1.2
165.12730	1.7
171.11681	1.3
175.11276	1.2
177.12743	6.5
179.14284	6.9
181.15874	10.9
185.13304	1.0
188.25967	0.9
190.34485	0.8
191.14320	7.6
207.13867	0.9
209.15359	18.7
239.14990	1.4
241.93060	1.1
263.20093	3.6
287.16409	1.5
291.19553	3.2
319.26544	1.6
329.24768	3.3
347.25830	100.0
348.26187	4.0
349.27393	1.1
379.28506	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29776	1.0
52.57524	0.9
53.03946	2.1
55.01868	2.6
55.05509	3.5
57.03436	4.1
67.05505	1.7
69.03403	1.9
69.07069	24.3
70.06593	2.1
71.04979	2.2
71.23347	2.2
72.08157	5.3
76.55151	1.0
79.05495	16.0
81.07052	3.5
84.04499	3.5
84.08148	1.4
87.02720	1.6
88.04028	1.0
89.03942	1.5
89.10754	1.3
90.79659	1.1
91.05515	1.2
97.06533	48.4
98.06065	1.4
107.08543	1.2
111.08106	6.6
112.08877	1.8
115.08692	3.8
117.03394	2.6
129.09126	4.7
130.05014	0.9
133.02853	5.6
135.04390	5.8
136.06201	3.4
145.02872	5.5
147.04398	1.0
157.06424	1.2
159.04440	5.7
159.11719	1.2
161.02335	9.3
161.09938	4.9
162.07765	3.2
163.03912	35.4
167.08537	1.3
171.04427	1.8
173.02353	92.2
175.03929	1.8
177.05458	5.8
185.06052	2.4
186.03220	1.2
187.03990	2.8
195.08020	2.8
197.06004	2.8
199.03958	2.0
199.07497	1.3
213.05426	1.4
213.09058	2.0
215.07030	92.2
216.07367	1.3
223.07509	3.2
233.12119	1.9
241.08607	36.7
259.09662	71.4
260.10007	1.4
273.11227	100.0
291.12354	10.9
329.18613	4.4
330.17355	1.2
343.05875	1.1
347.19479	2.6
361.21283	5.9
362.19540	6.6
379.22360	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2481
Annotation	F4-Neuroprostane (7-series)
Peak:m/z	Relative Intensity
53.03944	16.0
53.04193	5.6
55.01862	13.9
55.05516	41.2
57.03440	6.8
57.07060	16.6
65.03950	6.7
67.05195	5.6
67.05511	74.8
68.05408	4.8
69.03436	39.0
69.07076	38.6
71.04974	9.2
71.08630	11.1
71.50975	7.4
76.16875	5.0
79.05499	62.8
81.03084	4.5
81.03436	56.5
81.06602	6.3
81.07063	100.0
83.04971	16.2
83.08627	25.5
84.50042	5.1
85.02905	11.7
85.06534	12.4
85.10175	6.4
87.04443	6.6
91.05486	62.8
93.07047	80.4
95.04960	30.0
95.08607	74.2
97.02940	6.7
97.06544	10.6
97.10138	6.2
99.04475	8.5
99.08084	14.6
105.07030	57.9
107.04942	9.1
107.08599	37.1
109.02860	14.4
109.06505	8.0
109.10161	29.4
111.04433	12.9
111.08087	11.6
117.07039	30.8
119.08574	42.8
121.06490	14.4
121.10148	28.6
123.08073	7.5
123.11737	12.2
127.03940	7.4
128.06230	5.2
129.06992	17.0
131.08554	39.0
133.06505	9.7
133.10155	29.8
135.08084	14.8
135.11691	18.0
137.09593	6.8
143.08589	24.2
145.06497	6.2
145.10126	27.3
147.11682	27.1
149.09650	9.8
149.13251	15.1
151.07640	6.0
151.11203	7.9
155.08522	11.1
157.10133	13.7
159.11674	13.7
161.09615	7.8
161.13232	25.9
163.11125	6.6
169.10161	10.8
171.08006	6.6
171.11700	19.9
173.13272	14.7
175.14787	8.5
177.12817	12.8
179.14339	9.1
181.10066	6.3
183.11601	10.2
183.74623	5.9
185.13251	13.3
187.14758	10.0
189.12729	6.0
199.14865	8.3
211.55672	6.6
213.12798	5.3
213.16519	8.4
215.17969	11.0
247.20592	6.4
259.20557	11.8
275.20050	7.1
289.21246	7.2
301.21713	6.0
315.23071	10.1
319.22626	7.6
325.21741	9.0
343.22690	38.1
361.23727	43.5
379.25037	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.6
55.05518	60.5
57.07068	4.2
61.69527	1.5
63.70555	1.3
67.05509	14.6
69.07072	14.7
70.07404	2.5
71.04967	1.8
71.08638	20.3
74.81035	1.4
79.05503	21.5
81.03419	3.2
81.07071	23.6
83.04994	4.0
83.08633	31.0
84.08156	3.5
85.06576	2.0
86.09715	100.0
87.09518	2.9
87.10040	21.2
89.06044	5.7
91.05500	11.0
93.07049	26.8
94.07387	1.5
95.04988	3.5
95.08613	17.2
97.06557	4.5
98.21543	3.4
99.08109	14.4
103.75984	1.5
105.07030	8.5
107.04970	3.4
107.08602	16.8
109.06562	3.3
109.10183	5.4
112.07623	7.5
113.07915	2.5
113.09656	2.3
117.07062	1.9
119.08599	6.8
121.10159	17.7
123.08028	2.2
123.11777	2.4
131.08562	3.8
133.08646	2.2
133.10165	5.5
135.11710	18.3
137.09648	3.0
141.09140	2.9
143.08630	1.6
145.10178	1.7
147.11670	2.6
149.13327	3.9
151.11230	6.4
159.11763	3.5
161.13293	6.7
163.11259	2.8
163.14819	2.0
166.13136	2.3
167.10805	1.8
177.12737	2.7
179.14320	59.2
190.91571	1.7
195.12337	3.8
229.19908	1.6
235.16928	2.6
259.20737	2.1
260.49966	1.7
264.37054	1.8
277.21646	39.0
278.21988	2.2
279.25201	5.8
292.23560	3.4
295.22821	1.8
361.14182	2.4
362.15018	2.5
377.17700	13.3
377.32513	52.7
378.33151	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	378.2392
Annotation	Ile Val Phe
Peak:m/z	Relative Intensity
53.03938	0.5
55.01868	0.6
55.05515	6.5
57.05826	0.8
58.06612	0.6
65.20695	0.5
69.07076	1.7
69.59551	3.0
70.06601	2.8
71.27125	0.4
72.08160	78.1
79.05491	0.7
84.08147	1.4
85.76161	0.4
86.09711	100.0
86.92944	0.5
87.10036	0.7
92.63354	0.5
93.07088	0.6
97.06532	5.4
98.20760	0.8
103.05470	0.6
107.04990	0.6
120.08112	34.4
121.34359	0.5
129.10266	0.9
145.02853	1.0
161.02344	1.9
163.03912	3.2
166.08667	7.3
168.16188	0.8
173.02412	3.5
185.16510	62.0
186.16914	0.8
213.15996	22.7
214.16295	0.5
215.07019	6.5
219.14948	5.6
233.16476	1.5
241.08577	0.9
247.14471	1.5
259.09567	2.7
265.15506	5.5
273.11139	0.8
276.24634	0.5
279.17047	1.4
291.12286	4.2
329.18622	5.7
347.19531	1.8
378.14926	0.9
379.22067	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1577
Annotation	Abafungin
Peak:m/z	Relative Intensity
51.20547	0.3
52.44545	0.4
55.40006	0.3
56.05032	0.5
58.06590	0.4
60.08162	0.4
70.06601	4.4
71.49641	0.6
72.08155	2.8
74.06078	1.0
83.05008	0.4
84.04504	1.0
84.08156	1.9
85.02910	0.6
86.09705	1.6
91.05455	0.4
95.04995	0.4
97.02901	0.4
98.06069	0.6
98.96941	0.3
98.97601	1.1
103.05527	0.4
110.07217	0.5
112.04001	0.4
112.07593	0.5
112.08707	0.6
112.11250	0.5
116.07119	1.2
116.98641	0.6
120.08087	2.9
129.10258	0.8
129.13925	0.4
130.87068	0.4
136.07614	0.6
147.04420	0.5
158.08144	0.4
158.97485	0.4
158.99661	0.6
175.11963	0.4
177.00696	0.7
216.97955	0.4
217.10510	9.4
219.14964	0.9
233.14984	1.5
234.98973	0.9
379.15787	100.0
380.15836	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	379.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.7
55.01872	1.5
55.05514	2.3
56.62080	0.5
57.03437	3.1
59.04984	0.9
59.50642	0.6
61.02941	1.3
64.49313	0.5
66.24270	0.5
67.05507	1.9
69.03425	0.6
69.07072	20.1
69.26254	4.7
70.06606	1.6
71.05003	0.6
72.08161	4.8
79.05497	7.5
81.07059	1.6
81.75877	0.5
84.08148	0.8
85.06553	1.1
86.09702	2.3
87.08147	1.3
89.03931	1.9
95.04985	0.9
97.06536	75.2
98.06070	1.5
98.06842	0.7
107.04977	0.6
111.08090	2.4
115.08680	3.8
115.52236	0.4
117.03370	4.2
120.08112	0.7
129.09114	3.7
133.02866	2.3
135.04413	5.0
141.07048	0.5
145.02861	4.8
159.04422	7.9
161.02348	23.6
161.06084	0.6
162.02745	0.7
163.03918	48.6
164.04242	0.6
173.02351	54.7
174.02740	1.0
185.05960	3.7
185.16446	0.8
186.03151	0.8
186.16905	0.6
187.03931	1.0
187.07552	1.4
197.05980	0.6
213.09009	0.7
215.07037	84.9
216.07286	1.1
241.08621	10.5
259.09698	19.1
273.11249	9.8
291.12289	100.0
292.12521	2.9
329.18423	3.7
347.19595	2.2
361.21350	3.0
362.19666	6.2
379.17456	1.4
379.22293	25.0
380.22668	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.6
55.01875	6.6
55.05514	100.0
56.05835	5.6
57.03423	1.2
57.06831	1.6
57.07074	18.8
65.03947	1.3
65.91270	1.1
67.05508	15.9
69.03411	1.9
69.07076	20.4
69.57419	3.2
69.57845	5.5
71.04984	2.3
71.08640	16.8
79.05497	13.9
81.07055	28.5
83.04967	4.1
83.08620	54.5
84.08947	1.6
85.06546	2.5
85.10185	8.7
87.73689	1.1
89.06032	18.9
90.17362	1.2
91.05487	8.2
93.07038	14.3
95.08609	13.8
97.06510	6.4
98.20831	2.2
99.08081	4.9
105.07015	7.1
107.07043	1.2
107.08604	9.7
109.06502	3.2
109.10127	4.5
110.06901	1.2
111.08125	2.1
113.09687	1.4
115.07589	2.6
117.06999	3.9
119.08578	6.3
121.10154	11.8
123.08046	2.0
123.11682	1.8
125.09617	11.8
131.08556	3.6
133.08618	9.8
133.10138	4.7
135.11705	13.1
145.10077	1.9
147.11708	7.3
149.13280	5.1
159.11693	2.5
161.13220	3.9
163.14842	3.6
163.83946	1.3
165.12738	2.3
171.11665	2.7
173.13206	1.4
175.14735	1.5
177.11147	1.8
177.12723	1.3
179.14307	1.8
185.13326	1.8
189.12737	1.3
195.12312	7.6
199.14571	1.3
207.13773	1.9
241.19487	2.6
244.47385	1.3
259.20599	4.0
277.18842	2.2
277.21640	29.1
278.21964	1.4
295.22723	10.5
347.62485	1.4
377.25247	1.8
377.30121	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	377.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.6
55.05518	60.5
57.07068	4.2
61.69527	1.5
63.70555	1.3
67.05509	14.6
69.07072	14.7
70.07404	2.5
71.04967	1.8
71.08638	20.3
74.81035	1.4
79.05503	21.5
81.03419	3.2
81.07071	23.6
83.04994	4.0
83.08633	31.0
84.08156	3.5
85.06576	2.0
86.09715	100.0
87.09518	2.9
87.10040	21.2
89.06044	5.7
91.05500	11.0
93.07049	26.8
94.07387	1.5
95.04988	3.5
95.08613	17.2
97.06557	4.5
98.21543	3.4
99.08109	14.4
103.75984	1.5
105.07030	8.5
107.04970	3.4
107.08602	16.8
109.06562	3.3
109.10183	5.4
112.07623	7.5
113.07915	2.5
113.09656	2.3
117.07062	1.9
119.08599	6.8
121.10159	17.7
123.08028	2.2
123.11777	2.4
131.08562	3.8
133.08646	2.2
133.10165	5.5
135.11710	18.3
137.09648	3.0
141.09140	2.9
143.08630	1.6
145.10178	1.7
147.11670	2.6
149.13327	3.9
151.11230	6.4
159.11763	3.5
161.13293	6.7
163.11259	2.8
163.14819	2.0
166.13136	2.3
167.10805	1.8
177.12737	2.7
179.14320	59.2
190.91571	1.7
195.12337	3.8
229.19908	1.6
235.16928	2.6
259.20737	2.1
260.49966	1.7
264.37054	1.8
277.21646	39.0
278.21988	2.2
279.25201	5.8
292.23560	3.4
295.22821	1.8
361.14182	2.4
362.15018	2.5
377.17700	13.3
377.32513	52.7
378.33151	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	377.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.5
55.01870	13.3
55.05517	75.9
57.03429	5.4
57.07081	21.7
59.09526	1.8
65.03944	2.7
66.63054	2.0
67.05511	57.7
69.03432	10.4
69.07075	41.8
70.80837	4.4
70.81188	2.0
71.04990	8.1
71.08643	15.8
73.06563	2.1
76.57387	2.0
79.05503	39.0
81.03439	9.3
81.07062	100.0
83.04996	12.0
83.08621	39.5
85.02901	2.5
85.06554	12.4
85.10175	8.4
89.06039	34.4
91.04959	1.8
91.05488	34.2
93.07049	45.3
95.04975	6.9
95.08620	43.9
97.02893	2.1
97.06557	10.8
97.10161	6.8
99.08099	28.3
105.07042	34.4
107.04934	3.3
107.08604	28.2
109.06535	4.0
109.10159	17.5
111.04427	2.3
111.08079	5.8
111.11699	3.2
113.13316	1.7
115.07561	4.0
117.07040	13.7
119.08585	31.9
121.06530	2.2
121.10168	25.8
121.56162	2.0
123.04486	1.9
123.08070	6.3
123.11700	7.9
125.09660	22.4
129.07025	9.6
131.08580	14.9
133.08627	12.6
133.10126	25.2
135.08089	5.5
135.11697	18.1
137.09599	4.2
137.13240	3.6
139.03989	2.0
139.11200	3.6
143.08565	5.5
145.10143	14.6
147.08052	3.3
147.11703	23.1
149.13278	9.3
151.09570	2.0
151.11218	3.6
155.08510	2.5
157.10175	6.6
159.11688	11.3
161.09682	3.5
161.13293	12.1
163.11214	3.3
163.14825	4.7
169.10126	5.9
169.55757	2.0
171.11656	8.3
173.13260	8.8
175.11212	4.0
175.14798	6.2
177.11281	2.4
177.12753	3.1
179.14244	2.8
181.10243	2.8
181.12350	2.0
183.11719	2.9
185.13283	6.2
187.11253	2.7
189.12796	3.1
189.16385	4.3
191.14195	2.4
195.12294	15.3
199.14738	3.0
203.17877	2.4
207.13792	3.0
215.18039	2.7
227.18030	3.1
235.17032	2.4
241.19652	3.3
259.20590	2.7
261.18463	2.1
275.20053	3.3
277.21689	12.2
291.23141	2.0
293.21155	5.2
295.22894	9.5
323.20007	2.6
341.20956	5.1
359.22128	5.3
359.29501	15.0
377.23318	11.4
377.30630	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.0
55.01881	7.5
55.05515	100.0
56.58596	1.0
57.03444	1.7
57.06848	0.8
57.07084	6.6
64.45528	1.0
65.03946	0.9
67.05184	1.3
67.05511	18.1
69.03416	2.6
69.07075	20.5
69.15913	7.4
69.16319	2.1
71.04981	3.4
71.08650	4.9
74.77430	0.9
79.05067	1.4
79.05497	17.4
81.03424	3.0
81.07061	34.6
83.04992	5.0
83.08625	46.7
85.02937	1.5
85.06538	4.0
85.07381	0.8
85.10175	2.6
89.06021	7.8
91.04935	0.6
91.05482	13.8
93.07050	16.8
95.04974	3.5
95.08618	16.1
97.06527	6.3
97.10158	1.1
99.08111	9.3
99.11686	0.9
103.05499	0.8
104.00170	0.8
105.07043	12.0
107.08595	11.3
109.06517	3.3
109.10178	7.3
111.04433	1.8
111.08067	2.6
115.05453	1.0
115.07563	2.8
117.07004	5.1
118.87340	0.8
119.08591	9.2
121.06548	0.9
121.10147	13.3
123.08081	3.7
123.11699	2.0
125.09639	13.8
129.07043	2.4
131.08574	6.0
133.06500	1.3
133.08611	3.2
133.10147	6.6
135.08092	1.7
135.11726	9.8
137.09613	1.8
137.13348	1.3
139.11252	1.2
141.09064	1.0
143.08566	2.4
145.10138	4.7
147.08037	1.4
147.11685	9.8
149.09601	1.7
149.13277	4.7
151.11192	1.5
157.10136	2.8
159.11725	4.2
161.09653	1.1
161.13263	4.9
163.11194	3.0
163.14816	2.2
165.12753	1.7
165.19012	0.9
169.10197	1.4
171.11748	2.9
173.13214	2.4
174.62906	0.9
175.11290	1.0
175.14880	1.5
177.12785	1.0
179.14265	1.6
181.36618	0.8
183.11792	1.5
185.13280	3.2
185.65564	1.1
187.14949	0.9
189.12769	1.8
193.15991	1.0
195.12251	2.7
199.14816	1.2
207.13805	1.5
213.16385	1.1
215.18050	1.3
232.55513	0.9
241.19437	2.4
259.20544	3.9
263.72546	0.8
277.21616	17.3
281.81296	0.9
295.22656	9.2
313.21445	1.0
317.21188	1.0
341.21063	2.0
359.22250	3.9
359.29245	1.5
377.23175	4.9
377.30417	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	377.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	10.6
53.93329	7.2
55.05510	18.8
57.07080	9.4
57.46072	5.6
67.05523	34.1
69.07069	61.6
71.50670	7.7
72.55482	5.9
79.05502	43.4
81.03401	8.0
81.07062	64.5
83.04986	7.6
83.08617	8.4
87.95408	6.2
89.06040	19.7
91.05486	61.2
93.07048	100.0
95.04975	34.3
95.08615	77.1
96.85528	6.7
97.06546	15.0
102.95190	6.3
105.07042	97.4
106.76019	5.8
107.08603	45.7
109.06529	12.6
109.10159	29.1
112.71128	5.6
113.10979	6.5
117.07020	26.4
119.08589	99.2
121.06534	12.7
121.10159	39.8
123.08009	7.5
123.11732	14.6
128.06230	8.6
129.07022	9.8
131.08585	36.6
133.10136	47.7
134.34438	5.9
134.51744	5.7
135.11714	16.1
142.07777	23.2
143.08553	21.6
145.10132	49.1
147.11714	40.3
156.09375	8.7
157.10155	41.7
159.11699	36.4
161.09654	19.8
161.13272	11.8
169.10112	16.2
171.11726	23.9
172.08896	6.4
173.13319	13.9
175.11205	12.0
175.14838	10.9
177.16377	10.0
181.10170	13.2
183.11717	17.0
185.13298	18.7
187.11217	10.9
189.16400	9.5
195.12015	12.2
197.13231	11.9
199.14830	8.5
209.13213	6.2
223.14806	8.7
377.28381	19.1
377.35892	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	377.269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46855	2.9
55.05514	19.8
57.03433	2.4
57.07058	3.9
67.05509	38.4
69.03426	3.5
69.07069	22.0
79.05495	24.6
81.06591	5.4
81.07061	73.3
83.04972	3.9
83.08611	9.3
84.04502	11.4
84.72163	2.7
85.02906	11.3
90.31483	2.8
91.05473	21.0
93.06493	4.5
93.07051	59.0
95.04975	10.9
95.08614	66.5
97.06522	7.3
97.10169	7.6
103.03934	4.6
105.06402	4.5
105.07041	51.9
107.08597	52.4
109.06528	3.8
109.10163	44.4
117.07039	6.0
119.08588	63.9
121.06487	5.8
121.10147	45.9
123.08053	14.1
123.11720	15.9
125.09617	5.4
126.05516	2.7
129.06940	3.2
131.04919	5.3
131.08586	22.1
133.10144	34.7
135.08086	7.3
135.11693	20.2
137.09665	4.0
142.07742	3.1
143.08548	7.1
145.10127	34.7
147.11691	43.6
149.13268	45.6
151.07547	4.7
157.10188	14.2
158.10988	4.3
159.08127	3.0
159.11702	49.6
161.09631	9.1
161.13261	36.9
163.11153	4.6
163.14822	18.3
169.10130	9.2
171.11710	7.7
172.12447	4.0
173.13290	36.1
175.11189	8.9
175.14830	25.2
177.12779	4.3
183.11739	7.4
185.13315	5.3
187.11217	3.5
187.14825	76.5
189.12723	6.1
189.16403	34.2
197.13263	7.1
201.12782	3.4
201.16415	15.3
203.17999	26.4
211.14827	9.7
213.16473	5.4
215.14305	5.8
215.17967	8.3
225.16287	4.6
227.17998	12.9
229.15958	5.0
229.19527	88.3
257.22653	100.0
267.21112	28.1
285.22174	52.3
303.23206	4.9
331.79437	2.6
368.01892	2.9
377.27219	13.3
388.91718	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	377.269
Annotation	2-eicosapentaenoyl-glycerol
Peak:m/z	Relative Intensity
53.03932	3.4
55.05522	15.1
55.70995	2.4
57.03427	3.4
57.07073	3.7
65.03935	3.7
67.05510	26.1
69.07079	19.6
70.06020	11.0
79.05509	18.8
81.07062	66.3
83.08611	6.0
91.05501	15.5
93.06491	3.6
93.07051	54.4
95.04964	9.6
95.08617	68.6
97.06508	5.2
97.10179	6.1
105.07039	46.5
107.08606	54.9
109.10153	37.3
117.07032	7.3
119.08590	53.3
121.06528	3.7
121.10156	39.4
123.08057	10.4
123.11741	12.9
125.09556	2.4
131.08600	18.2
133.10133	34.8
135.08031	4.6
135.11707	20.6
142.07768	2.7
143.08549	5.2
144.09282	2.6
145.10149	30.3
147.11696	32.4
149.13271	48.2
155.08559	3.1
156.09331	2.4
157.10175	11.8
159.11708	45.6
161.09573	6.6
161.13277	28.3
163.14853	18.3
169.10120	4.8
171.11732	6.5
172.12514	3.8
173.09731	3.2
173.13255	31.1
175.11145	4.6
175.14847	26.9
177.12766	5.4
183.11673	6.2
185.13242	6.7
187.11206	2.7
187.14822	88.3
189.12770	4.9
189.16380	36.5
191.17966	4.2
197.13264	6.6
199.97682	2.2
201.16431	16.6
203.17989	26.0
211.14810	10.9
215.17924	5.6
215.98576	2.2
225.16429	4.8
227.17850	11.5
229.19530	86.0
230.20009	3.1
241.86252	2.5
257.22659	100.0
267.21124	22.3
285.22156	49.5
303.23148	11.0
342.87900	2.4
377.27213	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	377.2325
Annotation	Resolvin D1
Peak:m/z	Relative Intensity
53.03946	11.7
55.01883	16.9
55.05517	42.3
57.03450	22.2
57.06828	3.8
57.07080	34.0
65.03927	5.1
67.05511	80.2
69.03432	31.7
69.07076	32.7
69.19424	2.5
70.03808	13.5
71.01347	6.1
71.04991	12.7
71.08640	21.9
73.02895	4.2
77.03915	4.0
79.05500	69.5
81.02985	4.5
81.03425	43.9
81.06593	5.1
81.07063	80.5
83.04983	17.8
83.08627	20.9
85.02904	22.5
85.06531	2.8
85.10168	11.5
85.20820	2.5
85.21362	3.0
87.04483	4.1
89.06043	69.5
91.05488	93.4
93.07055	78.1
95.04967	24.2
95.08609	66.2
97.02866	13.4
97.06536	9.8
97.10191	6.1
99.04433	9.2
103.03929	5.8
103.05470	4.4
105.07034	84.4
105.40075	3.0
107.04977	16.1
107.07011	3.0
107.08598	40.2
109.02851	7.9
109.06538	19.5
109.10168	21.8
111.04459	11.3
111.08125	5.6
113.05989	3.6
115.03957	4.4
115.05444	6.9
116.06319	2.7
117.07035	45.7
119.08591	68.1
121.06491	13.2
121.10159	30.0
123.04437	8.1
123.08106	7.6
123.11700	7.5
125.06017	5.6
125.09691	2.8
127.03953	6.4
128.06213	11.1
129.05486	8.0
129.06989	29.8
130.07834	4.5
131.04951	3.2
131.08585	58.9
133.06496	13.7
133.08653	21.2
133.10139	49.0
135.08086	18.2
135.11711	27.4
137.05974	5.2
137.09637	8.7
139.07529	3.9
141.07050	14.1
142.07854	7.2
142.78917	3.4
143.08575	29.5
145.06482	13.6
145.10139	43.6
147.08026	11.6
147.11688	34.9
149.09636	16.9
149.13263	10.6
150.27158	3.1
151.07471	5.8
151.09625	3.5
151.11148	4.6
154.07805	4.8
155.08582	18.2
156.09380	5.7
157.06499	4.9
157.10155	32.0
159.08060	8.0
159.11700	32.5
161.05930	3.3
161.09598	11.7
161.13272	10.8
163.07605	3.2
163.11194	13.0
165.07057	4.4
167.08511	5.9
169.08823	3.5
169.10106	19.3
171.08060	7.6
171.11693	32.9
173.09666	7.5
173.13261	19.1
175.07579	4.8
175.11148	14.4
175.14810	3.7
177.09000	4.5
177.12743	8.6
181.08630	4.4
181.10133	5.5
182.11023	3.5
183.11679	17.8
185.09676	8.5
185.13242	17.0
187.11247	14.0
187.14867	7.2
189.09169	3.9
189.12746	13.7
191.10727	3.8
195.12177	16.9
197.09586	3.3
197.13295	7.7
199.11250	6.9
199.14859	4.5
201.12741	10.1
203.10709	3.3
203.14322	4.5
205.12201	5.4
207.11755	6.7
207.13748	4.3
209.13283	6.5
211.11220	4.7
211.14807	4.8
213.12775	5.8
213.16280	7.2
215.14311	3.9
215.17880	7.3
217.12236	4.3
225.12772	5.7
225.16234	4.0
227.14410	3.1
227.17984	9.3
229.12167	4.4
229.15971	3.4
231.13806	3.9
231.17448	5.8
239.17987	4.5
241.19710	4.1
243.13808	5.7
243.17671	3.3
245.19090	11.5
249.18629	7.6
251.20193	3.3
253.19623	3.2
255.17461	4.4
257.19031	9.2
261.18503	6.1
263.20102	5.6
269.19125	6.9
273.18613	6.3
275.20105	11.3
287.20187	13.5
289.21487	3.4
291.19504	4.3
292.80112	3.5
295.20554	5.8
299.19931	7.3
303.19659	3.6
305.18527	3.7
313.21634	7.8
317.21063	10.7
320.92245	2.9
323.19992	12.8
331.22647	7.1
341.21146	43.9
349.24106	3.4
359.22192	54.7
377.23245	100.0
378.23550	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	377.2325
Annotation	AT-Resolvin D1
Peak:m/z	Relative Intensity
53.03943	13.3
54.51808	2.7
55.01883	20.2
55.05267	3.9
55.05516	57.5
57.03426	12.5
57.06831	4.3
57.07079	56.3
59.04956	2.9
65.03934	7.1
67.05507	87.0
69.03433	29.8
69.07079	41.2
71.01328	4.3
71.04984	17.8
71.08294	3.4
71.08631	40.5
71.51206	4.1
73.02906	3.3
75.78872	3.0
79.05077	5.3
79.05501	83.3
81.03413	25.9
81.07066	100.0
83.04984	24.5
83.08629	30.2
84.04504	20.0
85.02905	15.5
85.06543	6.8
85.10184	20.8
87.04478	4.0
87.36025	3.6
89.06032	77.0
91.04913	3.9
91.05487	75.9
93.07050	74.9
95.04983	29.2
95.08615	72.5
97.02884	13.9
97.06525	13.0
97.10160	8.6
99.04449	7.4
99.08085	8.5
101.06026	3.7
103.03988	3.3
105.07040	82.9
107.04949	11.8
107.07064	5.4
107.08600	40.1
109.02911	5.1
109.06514	17.0
109.10155	27.7
111.04438	10.8
111.08090	8.5
115.03931	4.7
115.05469	8.2
117.07030	37.8
119.08585	61.3
121.06509	12.3
121.10150	40.8
123.04437	5.0
123.08068	25.5
123.11693	8.1
125.09624	5.8
127.03907	6.3
128.06229	7.2
129.05495	4.2
129.07037	27.4
130.05031	22.6
130.07785	5.8
131.05319	3.2
131.08588	40.7
133.06476	9.2
133.08630	29.4
133.10135	52.3
134.10538	3.7
135.08078	15.5
135.11685	20.9
137.09601	11.4
139.07469	3.5
139.11206	3.8
141.06972	8.1
142.07742	4.9
143.08565	24.2
145.06522	8.4
145.10132	44.1
147.07947	12.0
147.11705	38.7
149.09604	13.4
149.13251	9.2
151.07549	5.0
151.09674	5.0
151.11147	8.7
153.09189	3.7
155.08563	10.9
157.06500	4.6
157.10152	23.9
159.08131	4.9
159.11732	37.7
161.09636	10.9
161.13240	20.8
163.11194	11.6
163.14854	3.7
165.06898	3.6
165.12714	4.2
167.08493	4.3
169.10120	14.0
171.11707	22.4
172.27797	3.0
173.09641	7.5
173.13356	18.7
175.11212	13.3
175.14864	6.6
177.09117	4.6
177.11288	5.3
177.12709	6.2
179.10683	3.6
181.08586	4.4
181.10150	7.1
183.11742	15.0
185.09660	3.3
185.13290	12.1
187.11150	8.9
187.14792	5.3
189.12709	11.5
195.12326	24.7
197.13290	6.1
199.11234	4.6
199.14792	4.7
201.12762	7.0
203.10670	4.8
203.14481	4.5
211.11252	5.7
211.14859	4.3
213.12897	6.0
213.16409	9.3
215.10751	4.3
215.14383	4.2
215.18002	6.8
221.13231	4.5
225.12505	3.1
225.16383	3.6
227.17880	4.2
231.17464	6.9
236.11118	3.9
239.17969	6.0
243.17407	4.2
243.62199	7.3
245.19054	9.2
257.18997	11.8
261.18640	5.2
273.18375	6.6
273.63065	4.4
275.20139	16.4
277.21588	12.5
285.18634	4.1
287.20230	6.0
299.19904	4.3
313.21622	6.1
317.21188	5.1
323.20065	9.8
331.22662	5.4
341.21085	29.2
346.45795	3.4
359.22141	38.1
359.29291	4.2
377.23199	63.3
377.30450	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1461
Annotation	(-)-Riboflavin
Peak:m/z	Relative Intensity
53.03944	1.5
57.03444	7.6
59.04987	1.0
61.02921	2.8
69.03442	11.3
70.61687	1.6
70.62037	0.8
71.01336	2.1
71.05000	3.8
73.02912	1.5
75.04480	2.3
81.03414	3.4
84.08138	1.6
87.85728	0.7
99.04462	3.8
145.07600	2.2
157.06430	0.9
170.07191	1.5
172.08720	29.8
190.09792	1.0
192.28954	0.6
198.06624	8.5
200.08267	3.7
214.09686	1.2
216.07709	14.8
243.08809	62.8
244.09349	0.8
246.38249	0.7
359.13632	2.5
377.14606	100.0
378.14853	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	377.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95650	0.3
53.03943	0.7
54.12021	0.3
55.05500	1.0
56.05037	0.5
57.03436	0.4
61.02918	0.4
67.05494	0.7
68.05018	0.5
69.03414	1.1
69.07067	2.3
70.06258	0.5
70.06601	6.5
71.06912	1.0
71.50449	0.5
72.08150	2.6
73.02927	0.5
73.49292	0.3
77.08856	0.3
79.05479	1.2
80.60949	0.3
81.03408	0.6
81.07056	1.0
82.06597	0.3
83.04972	0.6
84.08154	2.7
85.02914	1.0
85.06503	0.4
86.09703	3.4
87.04491	0.5
91.05491	2.6
93.07053	6.6
95.04968	0.7
97.02862	0.4
97.06536	0.5
100.07603	0.4
103.05464	0.3
105.07036	3.1
107.08622	2.2
109.06507	0.5
115.05459	1.0
117.07007	0.5
119.08572	2.3
120.08134	2.8
127.03886	0.4
128.06248	3.9
129.07019	4.9
129.10252	0.6
131.08586	2.2
133.10133	0.7
141.07002	4.3
142.07796	10.6
143.08580	9.3
144.09418	0.4
145.10136	1.9
153.06985	2.3
154.07796	2.2
155.07277	0.4
155.08568	9.6
156.09367	7.2
157.10144	14.7
165.07043	0.9
167.08582	10.6
168.09369	2.6
169.10143	14.4
170.10936	2.5
171.11717	2.9
172.08690	0.4
175.11185	0.7
180.06767	0.4
180.09375	0.5
181.10158	1.2
182.10942	12.2
183.11647	0.7
184.12474	3.3
187.07497	0.5
192.10268	0.4
195.11723	0.8
197.13278	100.0
198.13623	2.0
199.14839	31.9
200.15193	0.6
215.14325	2.4
217.13602	0.5
218.13791	1.0
235.54724	0.3
243.08719	0.7
244.09625	3.7
246.13326	0.4
248.16550	0.7
297.61127	0.3
377.14676	1.1
377.19550	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	377.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99860	10.3
69.42390	16.1
69.42819	11.8
70.06599	7.0
72.08170	5.5
74.23626	3.5
82.99860	4.6
84.04462	3.8
84.08161	6.3
85.01442	3.4
85.02918	6.1
86.09734	8.4
88.03974	5.1
94.93067	6.3
98.20794	7.8
100.45345	3.0
101.00906	33.0
103.02438	3.8
113.00909	6.1
115.02432	14.3
119.01928	27.4
126.98799	14.5
127.02443	8.3
129.03958	8.9
131.01917	11.4
133.03505	9.7
135.03252	4.7
143.01915	14.4
144.99831	22.9
145.03467	43.2
147.05042	8.1
155.01952	9.0
157.03467	13.9
159.01352	5.0
159.05034	4.4
161.02998	13.6
163.04550	10.9
169.03508	6.1
171.01381	19.1
172.99326	39.2
173.02885	8.8
175.04559	8.7
177.02434	8.0
185.03067	9.1
187.00899	7.0
187.04533	5.6
189.02441	38.5
191.00407	11.2
191.04016	4.6
195.01447	6.3
199.04584	5.8
201.02370	4.0
205.01932	9.3
207.01677	3.6
207.03572	9.9
211.00989	4.4
213.02487	23.3
217.08232	4.2
221.05122	4.7
223.03021	6.8
227.00055	4.5
229.01884	4.2
231.03539	43.6
239.00377	100.0
243.03445	6.6
257.01437	46.6
265.07840	5.0
266.99902	49.8
271.02878	7.3
275.02563	10.6
285.01019	51.1
287.02359	5.9
289.04190	4.4
299.02539	92.0
300.02710	6.7
301.04224	6.2
317.03610	75.9
318.03635	4.4
329.03613	4.6
340.05103	4.1
341.01617	4.2
347.04779	3.7
359.04553	4.6
359.19006	4.2
363.93539	3.6
377.00299	4.4
377.05417	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	377.0571
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	2.8
60.04530	2.8
66.19383	2.1
70.06590	9.3
70.94159	6.1
70.99839	9.8
72.08153	6.8
72.99616	2.8
73.01414	3.6
75.06319	2.5
84.08130	8.1
86.09709	3.1
89.00874	2.5
91.02464	2.9
98.92900	2.3
101.00878	14.4
113.00864	6.2
115.02436	4.6
116.28065	2.3
119.01910	8.6
127.02431	4.7
129.03987	2.7
129.10265	4.0
131.01888	20.9
133.01685	2.4
133.03474	8.3
135.03206	4.3
143.01842	2.8
145.03467	28.1
147.01344	4.5
147.05038	17.3
149.02991	6.8
151.02654	4.0
155.01976	3.0
156.99829	7.6
159.01392	4.1
159.11331	2.8
161.02951	6.0
163.04536	10.7
165.06082	10.1
171.01398	4.0
173.02974	15.4
175.00902	32.4
177.02454	6.4
180.01810	2.8
189.02489	10.2
191.02319	4.6
191.03978	18.4
193.01938	4.8
201.02422	6.6
203.00269	3.8
203.03989	5.1
207.03386	4.0
217.01984	5.9
221.04971	2.5
227.00468	2.5
229.01997	22.4
231.03453	19.2
235.03058	6.0
239.00446	4.0
247.03125	16.3
249.04660	16.0
257.01447	100.0
258.01685	2.8
265.03860	2.7
269.08401	3.1
271.03082	5.0
275.02539	48.4
285.00946	6.0
289.04120	37.4
293.03470	3.3
299.02631	3.9
303.01907	3.9
307.05197	22.8
317.03595	35.5
335.04636	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.8
55.01873	4.1
55.05515	100.0
56.05867	0.8
65.03960	1.0
67.05513	15.7
69.03437	0.6
69.07072	3.6
70.68183	0.8
70.68522	1.1
71.05001	3.7
79.05500	12.9
81.03427	1.7
81.07066	15.1
81.81498	0.6
83.04987	4.1
83.08624	45.5
85.06576	1.9
86.96970	0.6
91.05489	11.1
93.07052	9.3
95.04983	4.4
95.08607	9.7
95.81008	0.6
97.06540	7.2
99.08107	1.0
105.07040	10.7
107.04990	0.6
107.08617	5.3
109.06511	8.9
109.10168	3.3
111.08124	2.0
111.30472	0.6
117.07031	2.6
119.08591	8.0
121.06525	1.0
121.10167	4.3
123.08080	11.2
123.11698	1.6
129.07053	1.3
131.08571	5.3
133.10138	5.1
135.08139	1.7
135.11765	2.2
137.09636	5.4
143.08563	1.0
145.10146	3.1
147.11687	4.4
149.09708	1.7
149.13304	1.0
151.11237	2.3
157.10153	1.3
159.11765	2.3
161.13301	2.4
163.11258	0.9
165.12816	1.0
171.11749	1.7
173.13333	1.4
177.12816	0.9
179.14388	0.8
187.14931	1.2
189.12846	1.9
197.24988	0.8
207.13889	2.2
209.20316	0.5
239.17996	1.0
244.27744	0.6
257.19046	1.3
275.20096	11.1
275.22833	1.0
293.21167	9.5
345.28384	0.7
357.28088	2.6
375.28940	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	375.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.8
55.01870	3.8
55.05516	100.0
57.03436	2.1
57.07088	1.8
58.23256	1.3
59.83805	1.4
62.89405	1.4
67.05509	23.2
69.03416	1.7
69.07079	9.2
70.14435	3.6
70.14835	2.2
71.04996	5.5
79.05498	22.7
80.76323	1.6
81.03427	2.7
81.07059	27.9
83.04972	4.1
83.08624	43.8
88.07647	1.5
91.05482	25.4
93.07045	24.4
95.04996	8.5
95.08616	16.1
96.45913	1.6
97.06549	8.2
97.10161	1.5
99.08091	2.4
105.07038	29.4
107.04949	2.4
107.08607	12.5
109.06511	7.8
109.10171	8.5
111.08092	2.8
117.07019	7.2
118.10830	1.4
119.08585	22.8
121.06521	3.5
121.10156	17.8
123.08099	13.7
128.06252	2.6
129.06976	3.8
130.07800	2.8
131.08585	11.9
133.06529	1.5
133.10141	13.1
135.08066	2.8
135.11674	5.2
137.09570	3.4
141.07063	1.5
142.07773	1.8
142.54396	1.4
143.08586	5.5
145.10130	17.7
147.11726	8.9
149.09596	3.0
149.13245	2.1
149.66505	1.5
151.11234	2.5
155.08585	2.4
156.09334	3.2
157.10114	10.5
159.11732	7.5
161.09590	2.8
161.13283	6.0
163.11176	2.0
169.10121	5.8
171.11717	4.9
173.13257	3.5
175.14853	2.3
179.08591	2.1
183.11688	3.8
185.13226	2.0
187.11185	1.5
187.14847	3.6
197.13261	4.0
199.14888	1.6
209.13235	3.5
211.14818	2.5
223.14815	2.0
255.44481	1.6
257.19037	2.5
275.20074	11.8
293.21017	10.0
313.17624	1.6
313.33102	2.2
345.06055	2.9
357.27893	3.4
375.10757	6.3
375.25455	1.4
375.28723	13.9
375.36368	8.0
393.49060	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	375.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63220	2.5
53.03936	12.0
55.05519	25.6
57.07087	5.0
61.72181	2.4
65.03928	4.1
67.05512	32.9
68.29116	2.8
69.07085	12.9
71.03103	2.6
71.51357	2.9
73.43619	2.2
79.05074	3.2
79.05504	36.8
81.03429	3.8
81.07065	59.9
83.08620	7.1
84.04499	5.5
85.06532	2.4
91.05489	62.2
93.06494	3.8
93.07059	72.9
95.04977	38.5
95.08617	43.4
97.06527	11.1
103.05473	6.3
105.07041	100.0
107.08604	44.6
109.06516	11.7
109.10175	25.1
115.05420	5.4
117.07047	20.7
119.08595	77.1
120.68456	2.7
121.06522	16.7
121.10153	62.7
123.08057	4.3
123.11684	7.6
128.06204	8.5
129.07031	17.0
130.05016	6.5
130.07811	6.2
131.00175	3.3
131.08571	41.7
133.10147	43.7
135.07957	3.2
135.11726	17.5
137.09630	3.5
141.06981	7.0
142.07790	16.6
143.08583	27.8
144.09357	5.3
145.06470	3.9
145.09093	3.1
145.10150	53.3
147.07932	2.9
147.11673	20.1
149.09625	4.3
153.42461	2.6
154.07771	3.2
155.08572	10.3
156.09344	7.7
157.10150	44.9
158.10872	2.8
159.11728	29.2
161.09610	11.8
161.13251	5.6
163.11166	4.5
165.07036	3.5
166.07750	3.5
168.09387	5.5
169.10126	20.5
170.10966	4.1
171.11714	18.2
173.13297	17.0
175.11162	4.8
175.14861	7.9
179.08565	6.3
181.10170	6.0
182.10829	3.4
183.11708	17.3
185.13254	9.8
187.11267	5.3
187.14818	13.6
189.16339	3.5
193.10100	7.8
194.10936	5.5
195.11734	9.3
196.12514	3.0
197.11716	3.0
197.13315	7.2
199.14839	5.5
201.16328	4.0
205.10110	2.8
206.10939	5.1
207.11707	4.2
209.13225	11.2
211.14917	7.7
213.16278	3.4
221.13281	5.5
223.14816	7.8
225.16422	4.6
235.14882	6.5
239.17847	3.4
241.19406	2.8
247.14821	3.0
265.19424	4.0
266.20258	3.9
273.13089	5.1
275.20215	4.3
281.18552	3.0
308.14514	2.7
375.11252	4.8
375.26572	28.2
375.30453	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	375.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	2.7
53.03940	8.3
55.01862	2.8
55.05517	19.3
57.07063	2.9
65.03945	4.9
65.85777	2.0
67.05515	24.6
69.07077	12.9
70.05012	8.8
71.05009	2.8
72.17088	2.5
72.42555	2.4
77.03905	3.6
79.05497	33.4
81.07058	49.2
83.05007	3.6
83.08633	5.7
91.05482	55.9
93.06493	4.5
93.07053	76.6
93.07635	4.9
95.04971	36.7
95.08611	37.7
95.63406	2.2
97.06523	6.4
103.05466	6.3
105.04568	2.6
105.07037	100.0
107.08598	34.4
109.06521	10.7
109.10169	19.2
115.05473	3.4
115.93284	2.2
117.07025	21.6
119.08588	77.5
121.06506	12.9
121.10147	63.9
123.08065	6.8
123.11665	4.0
128.06204	7.9
129.07018	12.9
130.07793	6.9
131.08588	40.6
133.10138	44.9
135.08095	3.0
135.11736	13.4
141.06976	8.3
142.07800	20.5
143.08571	31.2
144.09326	6.4
145.10123	56.1
147.08044	3.6
147.11690	17.9
155.08540	9.9
156.09344	10.3
157.10153	38.8
159.08087	5.5
159.11690	27.3
161.09659	11.4
161.13269	5.5
161.31172	2.5
165.06987	4.6
167.08569	4.1
168.09390	3.8
169.10117	18.4
170.10872	4.7
171.11668	16.2
173.09616	3.1
173.13239	18.7
175.11192	5.0
175.14810	8.4
179.08568	4.7
180.09247	2.2
181.10143	8.5
182.10857	2.6
183.11638	12.5
184.12460	2.6
185.13257	9.0
187.11205	4.4
187.14798	13.5
193.10109	6.7
194.10849	5.5
195.11720	10.9
196.12428	3.1
197.13329	10.6
199.14836	7.4
201.16443	5.9
205.10040	2.5
206.10854	4.7
207.11716	4.6
208.12502	3.1
209.13307	12.5
210.13931	2.4
211.14781	5.9
213.16403	4.3
219.11755	3.7
221.13387	2.7
222.13922	2.8
223.14795	6.9
225.16351	3.9
233.13176	4.5
235.14850	3.8
253.19585	3.6
263.17917	2.8
347.27304	3.4
357.25778	3.7
371.04208	2.4
375.26794	36.8
389.26608	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	375.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.5
55.01880	5.5
55.05271	1.7
55.05517	23.6
56.05044	1.4
57.03442	9.2
57.07083	6.1
59.04986	3.6
61.02932	11.5
67.05513	9.8
69.03436	35.3
69.07071	49.1
70.06589	11.4
70.47295	2.0
70.47702	2.4
71.05002	13.0
71.08631	2.9
72.08166	9.0
72.20458	1.1
73.02898	6.0
77.24223	1.1
79.05501	8.7
81.03432	16.0
81.07065	33.4
83.01351	1.5
83.04996	13.9
83.08621	9.4
84.04512	2.0
84.08142	5.9
84.77145	1.1
85.02911	87.0
85.06085	1.6
85.06550	22.9
85.85450	1.1
86.09715	5.8
87.04488	6.6
91.03945	4.7
91.05483	5.1
93.07059	19.6
95.04952	1.8
95.06114	1.1
95.08617	49.1
97.02905	24.8
97.06538	8.3
97.10188	12.8
99.04485	6.4
99.08104	25.6
105.07024	4.7
107.08607	30.2
109.02890	10.6
109.10163	18.9
111.08074	3.5
111.11727	8.6
112.08661	1.5
113.09667	9.0
115.03953	1.8
119.08562	3.8
120.08114	3.3
121.06476	1.2
121.10155	39.3
123.08038	2.0
123.11716	9.7
125.09623	9.3
125.13276	1.2
127.03922	20.1
129.10226	2.3
129.37627	1.1
131.04872	1.1
133.10153	1.9
135.11711	18.9
137.05988	2.0
137.13277	20.0
139.11211	7.9
141.12732	1.4
145.04985	16.9
149.13287	5.4
151.14841	5.9
153.12769	10.7
159.11752	1.1
166.04642	1.3
169.90175	1.4
177.16402	100.0
178.16722	1.7
195.17477	38.2
196.66696	1.2
213.18509	50.5
215.07054	2.4
237.18494	1.5
265.60394	1.2
268.41821	1.4
281.01038	1.4
375.19144	1.7
375.23810	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.238
Annotation	Manglieside C
Peak:m/z	Relative Intensity
53.03935	4.3
55.01853	6.4
55.05514	20.5
57.03436	9.3
57.07064	5.9
59.04985	4.9
61.02928	11.7
67.05511	12.0
69.03430	34.4
69.07069	44.5
69.14429	11.9
69.14831	2.7
70.06605	6.6
71.05000	10.6
72.08143	5.5
73.02909	4.8
75.02435	1.3
79.05492	7.5
81.03033	1.5
81.03423	13.2
81.07063	28.1
83.04973	11.5
83.08633	9.2
84.08124	5.8
85.02908	85.0
85.06548	24.0
86.09731	3.2
87.04462	4.8
91.03950	2.9
91.05466	4.1
93.07050	16.4
95.04961	1.7
95.08609	43.3
97.02893	23.9
97.06514	5.9
97.10186	10.7
99.04438	4.8
99.08094	19.7
105.07043	2.7
107.08598	29.7
107.84570	1.5
109.02882	9.0
109.10157	19.4
111.08054	4.1
111.11707	8.2
113.09650	7.4
119.08555	2.3
120.08113	2.5
121.10152	37.1
123.07962	1.8
123.11698	10.1
125.09635	6.9
127.03914	20.5
129.10211	1.7
133.10133	1.6
135.11681	19.0
137.13263	22.3
139.11177	10.4
145.04970	12.5
149.13216	7.3
151.14819	6.2
153.12769	11.1
158.84845	1.6
177.16396	100.0
178.16672	1.9
183.76422	1.4
195.17464	40.9
209.28073	1.3
213.16449	2.7
213.18498	49.5
375.19336	1.7
375.23874	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2289
Annotation	Leu Ile Glu
Peak:m/z	Relative Intensity
50.78852	0.4
53.18240	0.4
55.01902	0.4
55.05507	1.1
56.05040	0.9
70.02972	0.5
70.06598	7.9
70.69115	0.4
70.88741	0.6
70.89077	0.9
71.06915	1.4
72.08160	7.9
73.08481	1.2
74.06071	0.6
82.06585	0.4
84.04516	4.4
84.08147	8.6
84.43567	0.4
85.02901	0.6
85.08475	1.0
86.09710	100.0
87.10045	1.6
88.03988	0.5
95.06141	0.4
97.01127	0.4
102.05557	2.2
104.32639	0.5
107.04973	0.5
118.06923	0.8
120.08153	0.8
123.04492	0.4
127.03986	0.4
129.10260	3.6
130.05013	2.1
130.08673	0.6
130.10588	0.7
147.11313	1.5
148.06046	7.4
154.08252	0.4
164.62302	0.4
185.12805	0.5
186.13197	0.6
199.18073	30.4
215.13982	0.4
227.17557	13.0
227.19815	0.7
261.14474	6.6
265.05948	0.4
291.12262	0.4
345.25018	0.6
374.28592	0.7
386.99219	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24703	0.4
55.05511	0.8
56.05043	0.9
60.27214	0.4
63.21262	0.4
67.05521	0.4
69.07066	4.9
69.99792	1.4
70.06599	3.6
71.06977	0.4
72.08161	3.7
74.06088	0.7
84.04514	3.5
84.08149	6.2
85.45425	0.3
86.09710	100.0
87.10030	1.0
88.04031	0.7
90.77108	0.3
102.05543	1.4
111.03696	0.4
120.08121	1.2
124.03969	0.4
127.03927	0.5
129.10263	3.0
130.05038	2.9
148.06053	6.6
163.03934	0.5
194.18987	0.4
199.18073	29.7
200.18411	0.6
212.16534	0.8
227.17548	12.3
261.14474	9.0
374.23367	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2287
Annotation	Glu Ile Ile
Peak:m/z	Relative Intensity
51.20403	0.5
56.05028	1.5
68.05045	0.5
68.37034	0.5
69.07073	1.9
70.06592	2.7
70.79749	0.7
70.80096	1.2
72.08156	1.2
84.04511	32.5
84.08144	2.1
86.09711	100.0
87.04459	0.5
87.10048	1.8
91.05484	1.4
95.06112	2.2
96.04504	1.8
102.05550	11.8
102.06191	0.8
107.04928	0.7
110.06023	0.6
112.08745	0.9
113.07145	1.2
119.04944	1.2
120.08105	0.5
129.06613	4.3
132.10216	36.1
141.06583	3.1
147.04399	2.6
152.10692	2.9
154.15439	0.5
170.11760	4.2
193.13374	0.6
197.12866	18.3
197.70131	0.5
211.14455	1.0
212.16527	0.7
215.13934	31.0
216.14236	0.5
225.12357	7.5
228.17120	2.4
229.09422	0.5
243.13420	9.5
245.18694	2.0
318.06839	0.5
374.20746	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	374.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	1.0
56.05027	2.2
57.88717	0.5
67.05496	0.8
68.05013	0.9
69.07083	6.8
70.06599	5.1
70.82552	1.7
71.52310	0.5
72.08150	3.3
74.32686	0.5
76.04967	0.5
81.07079	1.0
82.39426	0.5
83.06113	2.3
84.04517	28.9
84.06440	0.8
84.08152	4.9
85.02916	1.3
86.06078	0.7
86.09715	100.0
87.10030	3.8
91.05495	3.3
93.07033	0.7
95.06100	6.8
96.04510	1.2
97.02931	0.6
97.06550	0.9
102.05551	12.8
102.06192	0.9
110.07142	0.6
112.08730	2.4
113.06086	0.7
113.07153	0.6
116.07191	0.7
119.04963	3.3
120.08138	1.0
121.10161	1.4
123.04482	0.6
129.06612	13.7
129.10307	1.5
130.05037	1.1
131.11798	0.7
132.10225	31.7
137.06039	0.8
138.09169	1.4
141.06622	1.0
147.04425	10.0
152.10719	1.0
156.42117	0.6
169.13403	1.0
170.11792	5.6
188.09247	1.3
193.13390	0.7
197.12878	21.8
197.14732	1.1
198.13293	1.2
199.18051	0.9
210.16100	2.3
211.14539	2.7
212.12875	0.7
212.16513	0.6
215.13933	32.7
225.12389	5.4
226.12799	0.6
228.17088	8.4
242.15030	0.7
243.08871	0.9
243.13399	9.8
243.15379	0.9
245.18538	1.4
356.19644	1.0
374.20840	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	374.203
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	3.5
60.04510	1.6
61.02936	2.0
69.03417	2.4
69.07064	7.2
70.02940	3.1
70.06603	17.7
70.88673	3.6
72.08163	12.7
77.81026	1.8
81.03404	2.1
83.06123	3.9
84.04499	17.8
84.08156	31.3
85.02915	9.6
85.04005	2.4
85.08534	2.4
86.09715	95.9
87.05598	12.6
87.10061	2.5
88.03990	7.3
89.06040	53.9
92.30006	1.6
95.27849	1.8
96.08141	4.9
97.02899	3.9
98.02395	5.9
98.06048	2.3
100.70287	1.6
101.07159	3.5
101.10796	1.9
102.05573	3.6
102.16856	1.7
107.07076	2.3
110.02359	1.9
110.07176	4.1
110.09644	3.3
112.07622	3.4
113.10736	2.0
124.03941	4.0
125.02637	1.7
127.04011	1.5
127.05024	3.2
129.10254	15.6
130.05042	3.5
132.10240	2.8
133.06088	3.0
133.08604	18.3
138.09145	2.9
141.10234	13.7
143.11819	3.8
145.02881	2.0
147.07681	5.0
147.11288	3.4
151.09668	2.4
155.11797	14.4
171.11285	2.1
172.07172	3.6
177.11250	4.5
183.11313	10.7
195.12308	100.0
198.32672	1.7
200.13954	56.1
201.12338	2.3
209.05615	2.0
226.08194	2.7
226.11932	3.1
228.13451	14.7
240.13428	2.0
270.14493	4.2
273.92221	1.5
285.15643	3.4
310.99765	1.6
327.65460	1.8
340.14966	2.5
352.52576	2.0
356.19434	4.8
357.17682	2.5
374.15613	3.5
374.20212	2.7
374.24341	5.3
388.75882	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2813
Annotation	Lys Ile Leu
Peak:m/z	Relative Intensity
55.05508	0.9
56.05040	3.4
60.04532	0.3
62.43328	0.2
67.05501	1.0
69.07074	0.5
70.06596	4.2
70.74387	0.8
72.08162	8.6
72.30547	0.2
74.06090	0.5
79.05531	0.2
82.06580	0.4
83.06109	0.3
84.04504	1.3
84.08150	100.0
85.02899	0.4
85.06536	1.1
85.08481	0.8
86.09710	20.1
87.10043	0.4
88.03992	0.3
91.05505	0.3
92.65212	0.2
95.06075	0.3
96.08141	1.0
98.06087	0.2
98.09741	0.2
100.11285	0.3
101.10137	0.2
101.10784	4.3
102.09171	0.8
110.07182	0.8
110.09651	0.3
111.09223	1.1
112.07638	0.4
116.07101	0.4
119.08604	0.4
120.08135	2.1
121.08418	0.6
126.12814	0.5
127.08640	0.2
129.10251	57.5
130.08632	0.3
130.10562	0.6
132.10213	0.7
136.07567	0.2
141.10240	0.4
143.11797	0.6
147.11266	0.6
152.14331	1.8
155.11861	0.3
156.07658	0.6
157.13412	1.0
161.09235	0.3
171.11269	0.3
179.15462	0.5
181.16945	0.2
185.12862	1.4
189.12395	1.3
196.18024	0.3
197.16499	5.3
199.18094	1.5
203.14046	0.4
208.17363	0.3
214.19124	0.6
224.17610	2.3
225.15958	1.6
242.18640	6.1
245.18597	2.1
260.16153	0.2
260.19693	1.6
337.26099	0.5
355.26938	0.8
356.25513	1.2
372.95270	0.3
373.28134	19.3
374.28806	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79555	0.4
55.05519	3.5
56.05040	4.9
57.05812	0.7
57.07068	0.5
57.07438	0.3
58.06610	0.4
60.04515	1.0
60.38233	0.4
61.01162	0.6
67.05508	0.8
69.03433	0.5
69.07072	3.9
70.06596	10.9
71.01087	0.7
71.04992	0.6
72.08160	37.7
73.08480	0.7
74.06084	1.1
78.79388	0.4
79.05509	0.7
81.07045	0.4
82.06567	1.5
83.06126	2.0
84.04506	4.1
84.08148	100.0
84.52404	0.4
85.02924	1.5
85.06556	1.0
85.08474	1.4
86.09711	64.7
87.10037	0.6
88.04001	1.1
89.10748	0.4
94.06594	0.7
95.04980	0.6
95.06084	0.7
96.08144	0.5
97.02905	0.6
98.06074	0.7
100.07636	0.4
100.11274	0.8
101.07144	0.5
101.10178	0.7
101.10793	5.0
102.05562	1.0
102.09212	0.5
102.13727	0.4
104.05355	0.7
106.06518	0.4
106.12287	0.3
107.57608	0.3
109.02906	0.8
110.07176	1.3
111.09224	1.3
112.07614	1.0
112.08733	0.5
112.11271	0.8
113.07140	0.8
115.08696	1.1
116.07117	2.1
119.06081	0.7
120.06447	0.7
120.08118	1.0
123.04494	0.5
124.07632	0.4
127.07406	0.4
127.08662	0.9
129.10249	76.7
130.05023	1.0
130.08669	1.1
130.10585	0.9
136.07625	0.5
142.08641	0.4
143.11806	5.3
144.06584	1.1
145.06107	0.5
147.05585	0.9
147.07703	0.5
147.11311	1.3
148.05991	1.1
149.07063	1.2
150.05693	0.4
150.07463	0.7
152.14374	2.5
155.11827	0.5
157.13353	5.4
159.07759	0.5
161.09230	2.2
163.03918	0.8
165.06628	1.1
166.06908	0.7
170.06094	0.5
171.11299	3.7
171.14925	1.0
177.05530	0.5
178.64348	0.4
179.15468	0.5
185.12863	7.9
185.16478	0.7
189.12363	7.0
192.11191	0.4
193.11673	1.3
196.14510	1.2
197.14842	0.8
197.16505	7.7
199.14485	0.7
199.18031	2.0
203.13916	4.1
210.12381	0.6
211.12706	0.6
214.19171	1.1
224.14142	0.5
224.17609	2.5
225.16092	1.5
227.03763	0.4
227.17647	0.7
229.15527	1.8
239.17639	1.0
242.18634	7.3
245.18642	2.9
260.16174	0.7
260.19717	1.5
284.19775	1.2
337.07230	0.4
356.25546	0.9
364.67480	0.5
373.13492	0.8
373.17926	9.0
373.28174	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	373.2448
Annotation	Gln Leu Leu
Peak:m/z	Relative Intensity
54.38378	0.5
55.05516	1.5
56.05050	2.7
56.05270	0.5
59.05004	1.8
60.87162	0.5
65.28787	0.5
67.05504	1.4
68.05035	0.6
69.03434	1.0
69.07069	4.8
70.06599	3.9
70.57805	0.5
71.49533	0.8
71.95808	0.5
72.08159	4.3
72.25772	0.5
75.42327	0.6
80.84421	0.6
81.07032	1.0
83.06110	33.6
84.04514	41.3
84.08157	5.6
86.09714	100.0
91.05495	1.6
93.07064	0.9
95.04988	1.0
95.06100	1.5
96.04494	2.3
101.07161	7.0
102.05544	1.3
103.03943	1.4
103.07606	0.9
104.07963	0.6
105.07037	0.6
109.10157	1.1
110.09698	0.9
112.08790	0.8
112.11218	0.6
113.07143	1.6
119.04984	0.6
119.08585	0.7
120.08095	1.6
124.11227	0.8
129.06612	8.8
129.10210	3.0
131.11797	2.1
132.10217	35.1
137.05998	0.9
137.09618	0.7
141.06581	4.8
143.11813	0.7
145.02870	1.1
147.04478	1.6
152.10722	4.4
157.13437	1.2
159.09233	0.7
166.28871	0.6
169.13405	2.4
173.96277	0.5
177.05511	0.8
185.12898	0.9
189.12357	0.8
193.15913	0.9
196.14473	24.1
197.12872	21.1
208.09807	0.7
214.15524	11.7
215.14000	3.0
224.13962	10.2
224.15997	0.7
225.12349	6.6
228.17207	1.5
242.14993	13.9
242.17230	0.9
243.13490	1.4
245.18718	1.5
260.16147	1.1
275.29736	0.6
282.05258	0.7
355.23441	17.2
355.27591	1.2
356.22046	0.8
373.13779	1.2
373.24445	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.9
55.01876	1.0
55.05514	4.5
56.05033	1.9
56.22050	0.5
57.03439	1.4
57.07107	0.6
59.05007	1.4
64.43987	0.6
65.03954	0.6
65.78386	0.6
67.05506	9.4
69.03432	2.1
69.07074	8.5
70.06599	10.2
71.05000	0.7
71.06127	1.5
71.50285	0.7
72.08169	5.6
79.05489	2.2
80.40276	0.6
81.03453	1.4
81.07053	4.7
83.04989	8.4
83.06108	11.3
83.08627	0.6
84.04509	18.0
84.08149	10.1
85.02911	8.3
85.06543	0.9
86.09710	100.0
87.10100	0.7
91.05482	3.2
93.07040	3.2
95.04972	25.1
95.06094	1.9
95.08601	5.0
97.02905	3.6
97.06551	1.8
98.06078	0.6
99.05589	9.5
99.08103	2.7
101.06022	0.9
101.07157	2.4
102.05544	1.7
105.07039	1.6
107.08596	2.7
109.02888	1.0
109.06539	1.7
109.10165	28.1
110.07201	1.3
110.29010	0.7
112.08690	1.4
116.07104	10.1
119.04945	1.5
119.08591	2.6
120.08121	1.4
121.06515	1.1
121.10164	3.0
123.11744	1.5
127.03914	1.8
129.06606	4.4
129.10243	6.0
130.05029	1.5
130.06540	1.8
131.11812	4.5
132.08107	5.5
132.10214	12.9
133.08499	0.6
133.10197	2.1
135.08102	1.3
135.11716	1.6
136.06329	0.6
137.06020	2.7
137.09622	30.8
143.11809	5.5
145.02878	1.0
145.05017	1.2
147.04390	4.1
147.11545	0.8
151.11151	0.6
152.10747	1.4
155.10666	4.5
157.13396	1.2
158.08409	1.8
159.09215	5.2
161.09557	1.2
163.03934	0.8
165.16426	1.5
166.08577	0.6
169.07643	1.5
169.13446	0.9
170.06033	1.6
171.11349	1.9
175.11201	5.0
175.14830	1.3
176.11533	4.5
177.05524	0.8
185.10727	1.1
185.12854	1.1
187.08672	10.6
189.12408	1.2
191.10667	0.9
193.15889	32.5
196.14458	6.2
197.12946	6.4
201.05423	1.0
203.13925	3.8
209.11620	0.7
210.16150	0.7
211.16937	7.9
214.15497	3.4
215.13951	4.2
216.14639	1.0
217.15968	1.3
224.13982	1.9
225.12354	3.2
228.17119	2.6
230.12898	5.2
234.15668	0.8
242.14987	12.0
243.13515	2.2
251.16458	0.6
258.12436	4.8
260.16162	3.1
289.68536	0.8
303.68494	0.6
337.20053	0.8
337.95343	0.7
355.17593	0.8
355.23648	4.0
373.14139	2.1
373.18494	1.5
374.20850	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	373.2221
Annotation	Byzantionoside B
Peak:m/z	Relative Intensity
55.05509	7.5
67.05505	13.8
69.03437	7.0
69.07066	14.6
71.05000	10.2
75.15016	3.2
79.05493	4.7
81.07060	20.0
83.04996	8.4
83.08628	5.4
85.02918	10.1
93.07081	9.8
95.08615	30.2
105.07053	5.2
106.06993	3.7
107.08608	19.0
109.06533	11.6
109.10165	94.7
119.08571	35.2
121.10145	8.9
123.08082	13.7
123.11765	6.3
133.10158	17.9
135.11696	100.0
137.09653	16.2
149.13275	7.7
151.11227	9.6
151.14841	9.7
175.14812	48.5
193.15904	64.1
211.16916	49.0
221.93059	4.0
354.74463	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49790	3.9
55.05504	6.8
56.02050	4.0
64.17963	5.0
64.96610	4.6
67.05495	17.3
69.03442	8.0
69.07068	14.4
71.04986	6.1
71.39362	6.3
72.08143	4.6
79.05482	8.0
81.03399	4.9
81.07062	23.3
83.04985	7.1
83.08640	6.1
84.08137	11.7
85.02908	12.3
85.06515	5.4
86.09702	5.5
93.07014	14.1
95.08609	31.8
97.89515	4.3
99.08035	3.9
100.26371	3.8
105.07018	7.8
107.08620	26.1
109.06479	10.2
109.09402	5.6
109.10160	96.6
111.08096	6.5
116.75050	4.0
118.33071	4.6
119.08589	39.5
121.10146	11.0
123.08036	9.9
123.59917	5.5
129.10225	8.4
133.10139	19.1
135.11707	100.0
137.09641	12.4
149.13257	7.6
151.11183	7.0
156.79848	4.2
157.10095	6.0
158.16501	4.4
165.16362	5.7
175.14851	48.3
180.29579	5.6
184.54005	4.8
193.15898	54.5
211.16956	50.3
373.28885	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	373.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.9
55.05513	11.0
57.03436	5.8
63.46021	3.7
67.05502	13.6
69.03408	4.7
69.07063	11.1
70.06577	12.2
70.75423	10.2
72.08146	7.8
79.05487	5.8
81.03408	6.3
81.07070	23.1
83.04997	5.2
83.08625	5.9
84.04507	4.5
84.08143	18.5
85.02902	17.0
86.09704	16.0
91.05450	4.4
93.07022	8.2
95.04971	5.2
95.08598	17.5
97.02898	8.7
97.06482	6.1
105.07072	9.8
107.08582	13.8
109.02883	4.8
109.10172	34.8
111.08090	7.6
119.08613	23.4
119.17539	3.6
121.10169	11.7
123.08070	14.3
123.11691	9.2
129.10258	11.9
133.10124	19.1
135.11696	27.2
137.05934	4.7
137.09602	27.0
139.03699	3.9
147.11684	7.3
149.13277	4.8
151.14767	4.9
167.27309	4.3
171.97234	4.9
175.14813	28.2
193.15892	22.2
211.15132	3.4
211.16936	100.0
345.03098	14.6
351.77911	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	372.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.05521	4.4
56.05033	1.0
57.07064	0.9
58.95372	0.6
59.05005	17.0
67.05494	2.3
69.03430	1.0
69.07064	1.2
70.06596	10.0
70.58066	1.2
72.08161	4.8
76.02228	1.0
79.05489	0.9
81.07053	1.3
83.04968	2.2
83.06113	0.9
83.08617	2.0
84.04496	2.3
84.08144	6.5
85.02911	1.2
86.09706	6.3
88.03996	1.1
91.05463	1.6
93.07048	1.3
93.30249	0.6
95.04980	1.6
95.08621	1.0
97.02887	1.9
97.06544	0.6
97.91431	0.6
99.05571	1.1
99.08125	0.7
100.07627	2.8
100.11270	6.8
103.03932	0.7
103.07584	0.9
103.23087	0.7
105.07030	2.3
107.08611	1.9
109.10171	1.7
110.06108	0.7
110.07127	0.6
111.04458	3.9
112.08772	0.7
112.11239	0.9
113.07061	0.6
115.05507	0.6
116.07072	1.7
118.00070	0.6
119.08611	6.7
120.08091	1.5
120.08879	0.7
120.98061	0.6
121.06491	0.8
121.10172	1.3
122.02756	3.5
122.03474	0.7
128.07086	2.6
129.10242	2.1
131.08548	2.0
132.08040	0.7
133.10120	2.0
135.08070	1.3
135.30661	0.7
137.05968	1.0
137.09622	1.2
140.07071	1.3
142.07773	1.1
143.08556	0.8
145.10109	3.4
147.08075	1.2
147.11693	6.0
149.09682	1.3
156.09297	0.7
157.10133	1.8
159.08047	1.6
159.11632	1.0
160.08847	11.5
161.09633	1.1
173.09622	5.4
173.13234	2.2
175.11195	100.0
176.11551	1.7
182.15427	9.0
187.08728	1.5
187.14812	2.4
193.15919	0.9
205.15936	0.8
209.16562	0.8
210.14880	11.4
215.14343	8.1
227.17693	1.2
228.15974	2.1
233.15382	7.4
245.18625	1.0
247.11497	0.6
250.09433	1.7
251.16475	13.5
258.12405	1.1
336.16312	1.1
337.21249	6.3
352.61859	0.7
354.17352	0.9
354.23889	2.5
355.22412	2.7
372.24991	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	371.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.8
56.05045	0.4
57.49027	0.3
66.02540	0.4
69.03419	0.6
69.07080	0.6
70.06273	0.4
70.06592	2.6
70.55531	0.7
70.55917	1.0
71.05004	0.4
72.08150	1.7
72.93779	0.5
73.06561	1.2
83.08660	0.4
84.04518	0.6
84.08154	3.0
85.02929	0.7
86.09723	2.3
87.04475	4.0
89.06038	100.0
90.06357	0.5
91.05452	0.7
91.07617	0.7
95.04984	3.5
95.06095	0.4
97.02933	0.6
99.04473	0.7
105.07040	0.5
107.02066	0.3
107.07078	1.4
107.08576	0.6
109.10206	0.4
117.09193	0.5
120.08115	0.4
121.06513	0.3
123.08110	0.3
124.83600	0.4
127.69334	0.4
129.10275	1.0
131.07051	0.9
133.08612	44.5
134.08969	0.5
135.08061	0.4
136.15392	0.4
136.37671	0.4
153.09117	0.9
158.97423	0.8
163.03931	0.4
173.13275	0.6
177.11244	9.5
181.15611	0.4
191.14349	1.2
209.15468	1.4
221.13919	1.2
234.99089	0.9
239.14906	0.8
283.17584	0.6
287.02060	0.4
298.97125	0.5
301.03860	1.0
327.20151	0.4
335.19754	0.4
371.16025	0.5
371.22894	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	371.2068
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03950	6.1
53.23018	2.9
55.05518	22.4
57.03447	4.5
57.04858	2.9
57.07085	7.7
59.30566	2.8
59.70219	2.8
61.02937	5.0
67.05512	10.0
69.03444	21.0
69.07074	23.8
69.95818	12.5
70.06602	49.2
72.08164	21.5
73.04764	3.9
73.64754	4.3
79.05508	20.8
81.03424	9.1
81.07071	68.0
83.05005	15.8
83.08627	42.5
84.04517	12.5
84.08150	25.1
85.02927	22.9
85.06544	3.7
85.48138	3.3
86.09729	22.0
88.04019	3.8
89.06049	3.2
91.05460	8.5
93.07040	21.6
95.05002	7.7
95.08634	9.0
97.02918	9.0
97.06551	10.5
98.06045	3.0
99.04469	5.8
100.11334	3.4
105.07066	9.2
107.08621	30.0
109.06532	37.0
109.10164	32.8
110.07117	3.5
111.04462	6.2
111.08111	12.4
112.11261	4.0
115.08636	4.3
116.07126	5.1
119.04966	3.8
119.08602	7.6
120.08121	7.5
121.06519	6.5
121.10152	25.7
123.04363	3.6
123.08106	4.2
123.11745	16.5
125.09595	4.6
125.13255	7.3
127.03957	17.0
129.10236	8.6
129.13934	3.4
131.08607	5.7
133.10158	10.1
135.08060	7.9
135.11685	3.5
136.06200	4.3
137.09663	7.8
137.45303	3.0
140.79735	3.3
145.04994	5.5
147.04396	15.6
147.11708	3.3
149.09639	100.0
149.13268	37.9
149.53516	3.5
151.11140	6.9
153.09154	4.9
163.14839	7.3
165.12851	6.3
167.07013	4.1
167.14331	35.8
171.10164	4.2
173.13229	5.7
182.15422	5.6
183.14992	3.6
191.14326	21.3
209.15364	47.0
210.14923	4.1
225.17046	3.4
263.48907	3.8
282.92087	3.6
285.00986	4.1
297.08704	3.4
353.19757	3.8
371.16681	7.9
371.24039	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12854	1.1
53.03933	1.6
55.01867	1.3
55.05511	3.9
57.03436	2.6
59.28831	1.1
59.55668	1.2
61.02918	4.1
61.56565	1.1
65.89497	1.0
67.05501	2.9
69.03133	1.4
69.03439	14.0
69.07058	4.4
70.06578	5.9
71.04991	2.2
72.08149	2.6
73.02909	1.8
79.05484	2.9
79.33504	1.1
81.03431	8.6
81.07061	4.8
82.89992	1.2
83.04970	3.9
84.04525	1.4
84.08139	4.9
85.02911	30.8
86.09711	2.5
87.04430	1.9
91.03948	1.5
91.05477	3.1
93.07046	3.6
95.04985	2.7
95.08600	3.9
97.02887	6.6
97.06541	2.2
98.06038	1.2
98.21543	2.4
99.04475	1.6
102.67985	1.2
103.05486	1.3
105.07038	4.5
105.08824	1.2
105.45166	1.4
107.04922	1.6
107.08608	8.6
109.02837	2.3
109.06514	7.0
109.10124	3.2
111.04456	1.5
119.08581	3.5
120.08131	10.8
121.08448	7.4
121.10166	11.9
123.08072	4.8
123.11701	3.4
127.03930	6.1
131.04912	2.2
131.08553	1.8
132.05659	1.5
133.10124	7.1
135.08052	3.7
137.05956	2.4
137.09624	9.4
145.04955	6.3
145.10120	3.0
147.11652	2.4
149.05957	1.1
149.09647	12.8
149.13263	5.1
151.11205	15.9
158.11035	1.4
163.14784	1.5
165.12767	44.3
165.14166	2.5
167.07066	2.1
173.13278	4.3
177.05429	1.7
177.10251	2.9
178.10590	2.4
191.14291	16.6
192.07848	2.6
209.15373	100.0
210.15752	2.2
217.08725	2.0
228.89127	2.0
305.44629	1.5
371.16336	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	371.207
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
50.31446	7.0
55.05518	32.3
67.05503	23.2
69.03428	23.3
69.07066	15.2
69.13560	37.9
69.13978	42.5
70.06601	100.0
71.04995	9.9
71.06911	7.6
71.08606	8.2
71.35988	7.0
72.08145	63.0
73.02931	11.8
73.04759	11.8
73.65759	7.3
79.05504	20.4
81.03438	8.9
81.07071	29.4
83.04973	20.6
83.08637	7.5
84.04521	11.3
84.08141	63.5
85.02916	21.9
86.09708	39.8
89.06051	11.5
91.05420	14.9
91.05871	11.2
92.38718	7.8
93.07056	21.6
95.04996	11.5
95.06097	10.0
95.08634	28.3
97.02902	22.7
97.06535	21.1
99.04534	8.8
99.08083	11.3
101.05975	9.8
101.70422	6.8
103.05471	8.1
105.07044	25.3
107.04971	14.4
107.08602	49.7
109.06553	12.2
109.10175	18.4
111.04472	10.1
112.08727	12.6
112.11260	14.8
116.07088	17.8
119.08601	15.4
120.08121	28.4
121.08459	8.6
121.10130	36.2
123.08055	10.0
125.09673	13.6
129.05481	13.5
129.10255	21.3
129.13945	7.6
133.10158	23.1
135.08072	14.7
135.11726	12.8
137.05998	20.4
137.09644	11.6
147.04419	32.3
147.11700	12.0
149.09674	12.2
149.13289	17.4
151.10045	14.1
151.11203	56.2
153.09193	8.5
163.03888	11.4
163.11235	10.1
164.07080	10.4
165.12810	8.7
167.07080	25.0
173.13264	14.9
184.07399	10.8
187.07603	11.5
191.14326	60.8
199.07623	9.3
209.15387	46.7
239.11789	7.6
250.09412	10.3
285.00906	15.2
353.19934	15.2
371.13147	44.7
371.23752	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01879	0.7
55.05514	3.0
56.05023	0.5
57.03437	0.5
61.02906	0.5
67.05496	0.7
69.03432	2.3
69.07054	0.8
70.06596	2.5
71.04994	0.4
71.50521	0.4
72.08147	1.9
79.05498	0.8
81.03410	2.0
81.07047	0.7
83.04983	1.0
83.08613	0.8
84.04494	0.4
84.08142	2.1
85.02910	4.9
85.06595	0.3
86.09715	1.6
88.04017	0.5
91.05487	1.4
91.58185	0.3
93.07050	2.6
95.04972	0.5
95.08625	0.7
97.02902	1.8
97.06533	0.7
98.06077	0.4
98.97606	0.4
99.04469	0.4
100.07610	0.4
100.11259	4.0
103.03912	0.4
103.05479	0.5
105.07030	1.4
107.08602	0.7
109.02922	0.8
109.10136	0.7
110.06039	0.3
110.07168	0.3
111.04449	1.1
112.11286	0.3
119.08582	0.7
120.08130	0.7
120.88996	0.3
121.02843	0.4
121.10144	4.3
127.03947	1.3
129.10226	0.5
131.08557	0.4
132.05759	0.6
133.10114	0.8
135.08107	0.7
136.07619	0.4
137.05975	1.7
137.09619	1.1
141.11490	0.4
145.05019	0.6
146.23013	0.4
149.09628	100.0
150.09929	1.8
155.06995	0.8
156.05682	0.5
159.07939	0.4
167.07065	0.8
173.13321	0.7
175.07567	0.5
177.05489	0.5
179.07054	0.4
180.07899	0.4
182.15459	1.4
186.75546	0.4
187.07507	0.5
191.07118	0.5
191.10674	0.4
191.14337	6.1
192.07761	1.8
209.15359	13.7
210.14961	1.2
217.08681	0.5
227.17577	0.8
250.09241	0.6
250.34720	0.3
276.72733	1.6
285.01111	0.6
285.07642	0.7
322.12030	0.4
343.30566	0.9
353.13922	0.4
353.27148	0.4
362.27209	1.1
371.91992	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2067
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03944	1.0
55.01868	1.1
55.05516	2.8
57.03429	2.4
57.07065	0.8
60.66130	0.5
61.02928	1.3
67.05518	3.1
69.03436	8.1
69.07067	3.0
69.23634	0.5
69.36002	4.7
70.06596	6.9
71.04990	1.3
72.08163	4.8
73.02930	1.0
73.04726	0.7
75.03038	0.6
79.05506	2.6
81.03412	3.7
81.07060	3.3
83.04977	2.1
83.08598	1.5
84.04492	0.8
84.08154	5.3
85.02908	13.4
86.09711	3.6
87.04465	0.8
89.06023	1.0
91.05433	3.1
93.07051	5.2
95.04974	1.7
95.06078	0.6
95.08598	3.7
97.02895	4.5
97.06519	1.4
98.06056	0.6
99.04434	0.9
99.08105	0.8
101.06038	0.6
101.89439	0.6
103.05502	0.7
105.06415	0.5
105.07024	3.8
107.04951	0.8
107.08603	6.6
109.02887	2.3
109.06516	2.3
109.10164	2.9
111.04437	1.0
116.01712	1.0
116.07134	1.0
117.07040	1.1
118.72023	0.5
119.08588	3.1
121.02845	0.7
121.06506	1.7
121.10151	9.1
123.08061	1.9
123.11714	2.1
125.09666	0.6
127.03937	4.0
129.10228	2.3
131.04913	1.0
131.08565	1.3
133.08611	0.9
133.10153	4.7
135.08052	2.1
135.11722	1.3
137.09607	6.3
137.13234	0.7
139.98811	0.5
145.04950	2.3
145.10085	1.0
147.11693	2.2
149.09625	100.0
149.13229	2.0
150.10028	1.3
151.11197	7.3
153.09122	0.7
159.09241	0.7
159.11751	0.5
161.09639	0.5
162.02148	0.8
163.11241	0.7
163.14844	3.3
165.09073	0.6
165.12752	16.4
166.13097	0.5
167.07062	1.0
173.09569	0.5
173.13234	2.8
175.11172	0.6
181.15919	0.6
185.13066	0.6
191.14308	14.8
192.14680	0.7
209.15367	52.1
259.53351	0.7
285.01001	0.8
358.45709	0.6
371.12134	0.6
371.16751	10.7
371.20966	1.0
371.24078	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43765	1.4
51.02382	1.5
53.03943	12.9
53.26996	1.4
55.01877	10.9
55.05503	6.5
57.03438	3.0
61.26624	1.4
67.05508	20.9
69.03436	27.7
69.07065	4.9
69.23018	1.6
69.85440	3.0
69.85845	5.8
71.01363	1.7
71.04996	6.4
76.96726	1.4
79.05492	16.2
81.03423	100.0
81.07050	14.7
83.04987	22.4
83.08617	4.0
85.02909	9.5
85.06560	3.1
91.05475	12.4
93.07048	18.0
95.04988	7.0
95.08628	9.5
96.66583	1.7
97.02877	9.1
97.06536	8.2
97.10170	1.5
98.21553	1.5
99.04458	11.0
99.45485	1.6
103.05488	1.6
105.07027	6.3
107.04977	12.1
107.08604	12.7
109.02886	41.4
109.06509	2.0
109.10172	7.0
111.04446	30.7
111.08094	10.4
117.07044	6.0
119.08575	10.0
121.06504	2.9
121.10133	13.4
125.06002	2.5
127.03918	38.2
129.07013	3.3
130.07822	1.8
131.08560	6.8
135.11703	13.4
145.04916	2.0
145.06551	2.8
145.10118	15.9
147.11717	3.2
149.09630	5.5
153.12762	12.7
155.08556	5.1
163.11198	30.7
173.09610	11.4
181.12248	24.3
182.44327	1.5
191.10681	30.7
209.11688	15.0
227.12790	30.2
299.81830	1.7
335.14844	6.7
353.15988	9.5
371.16934	5.0
371.24097	4.4
384.78458	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	371.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12132	1.4
53.03955	15.2
55.01871	10.3
55.05499	6.4
67.05182	2.2
67.05506	24.0
69.03080	2.4
69.03432	29.6
69.07053	4.9
70.00819	7.7
71.04991	6.0
71.19481	1.4
73.28898	1.4
79.05494	12.6
81.03421	100.0
81.07056	14.3
83.04980	21.1
83.08628	2.1
85.02895	6.1
85.06540	2.1
91.05489	9.8
93.07052	17.5
93.99010	1.9
95.04960	5.1
95.08600	6.9
97.02895	8.7
97.06531	8.2
98.21447	2.5
99.04446	10.6
105.07026	4.5
107.04968	13.3
107.08605	8.6
109.02883	41.2
109.10142	6.2
111.04445	31.1
111.08089	9.1
116.99036	1.5
117.07023	8.5
119.08587	7.8
121.06469	2.2
121.10114	14.6
125.06022	2.2
127.03925	44.3
129.07034	3.2
131.04945	2.2
131.08574	6.5
135.08044	2.8
135.11673	16.7
145.06462	2.2
145.10130	19.3
147.11671	1.7
149.09621	4.7
153.12756	14.1
155.08539	4.1
163.11186	29.3
173.09616	15.1
181.12233	23.5
191.10677	30.2
193.12280	1.7
209.11769	10.3
227.12779	25.5
232.42389	1.6
235.20465	1.5
243.06206	1.5
324.78403	1.5
335.14905	4.4
337.29523	1.5
353.15948	8.8
370.39136	1.6
371.16852	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	369.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.3
55.01877	16.1
55.05518	24.8
55.81665	1.8
56.59777	1.9
57.03445	16.7
57.07073	5.2
65.03925	5.4
67.05511	52.1
69.03419	7.4
69.07072	72.9
70.06602	3.8
70.09288	6.5
71.01349	1.9
71.05000	11.9
72.08131	2.8
73.06559	4.8
79.05077	2.8
79.05502	46.6
81.03437	9.7
81.07063	100.0
82.54252	1.6
83.05003	9.5
83.05415	1.8
83.08626	15.6
84.08167	3.0
85.06570	11.0
91.05487	43.2
93.07055	42.5
95.04988	10.6
95.08614	57.9
97.06542	23.4
97.10188	5.3
98.21394	2.5
99.08096	25.3
105.07043	36.1
107.05010	2.9
107.08607	34.0
107.91451	2.4
109.02843	4.1
109.06522	6.5
109.10171	12.8
111.08086	8.2
115.07594	5.2
116.43773	1.8
117.06996	6.9
119.08596	32.2
121.06489	2.1
121.10149	30.9
123.08041	9.6
123.11692	4.6
125.09643	28.9
128.06190	3.3
129.06999	6.8
131.08574	19.1
133.10153	22.0
135.08064	5.3
135.11697	26.7
137.09621	4.3
137.13226	3.5
142.85339	2.2
143.08568	8.7
145.10136	17.8
147.04356	2.1
147.08031	3.8
147.11693	27.6
149.09612	6.9
149.13246	8.8
151.07529	5.5
151.11188	5.7
157.10136	9.9
159.08083	2.7
159.11700	14.5
160.02554	1.8
161.09627	5.7
161.13252	14.2
163.11174	5.3
163.14851	3.3
165.12753	7.4
169.10185	2.1
171.11649	11.0
173.09647	2.7
173.13278	4.7
175.11111	3.3
175.14813	4.5
177.12727	2.0
179.14299	3.9
181.10216	2.1
183.11752	3.6
185.13214	6.4
189.12741	6.9
195.13841	2.2
199.14865	2.7
207.11797	2.4
207.13824	6.0
209.13249	2.8
213.12735	2.5
213.16528	2.7
223.14879	2.0
241.19496	5.3
259.20563	11.4
277.21704	30.5
295.22702	9.9
309.22211	2.2
311.19925	2.6
351.25809	12.1
369.26154	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87146	3.5
52.04793	3.7
55.05511	29.4
55.84990	4.1
57.07068	8.4
67.05511	34.4
69.03446	4.3
69.07073	32.9
69.60724	25.4
71.04973	4.1
71.08641	32.3
79.05495	39.3
81.03413	9.9
81.07063	53.7
83.04979	4.0
83.08598	10.0
85.02895	6.0
85.06533	5.3
87.28906	4.2
91.05485	29.9
93.07045	46.1
95.04971	19.6
95.08614	38.4
96.80283	3.9
97.02897	4.1
97.06510	8.5
97.10179	6.1
99.04475	4.1
99.08122	22.1
105.07049	36.0
107.08601	28.4
109.06535	39.5
109.10135	7.2
111.08072	8.6
117.07009	9.7
119.08585	23.3
121.06497	23.9
121.10146	14.3
123.08085	7.5
129.07048	7.8
131.08566	16.5
133.10132	8.8
135.08037	8.3
139.11215	7.6
145.10124	14.6
147.11711	22.3
149.13329	6.0
157.10146	6.2
159.11681	12.9
161.13310	11.0
163.11147	7.6
165.12755	63.5
171.11699	10.6
173.13208	5.6
173.25632	4.4
177.12737	17.9
181.15894	9.0
191.14296	5.5
205.54306	4.7
207.13759	9.8
261.22183	29.7
271.20514	5.4
277.21533	6.5
279.23224	8.9
289.18338	6.3
289.21619	98.3
307.22751	33.0
333.24139	43.1
351.25348	100.0
369.24030	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	369.2636
Annotation	Cortol
Peak:m/z	Relative Intensity
55.01867	7.4
55.05518	29.6
57.03438	5.2
57.07073	10.7
67.05503	38.2
69.03434	11.4
69.07086	27.8
69.27126	9.9
69.27529	27.9
71.08646	26.2
79.05507	38.8
79.05932	5.5
81.03391	9.1
81.07059	41.8
83.05009	5.0
83.08615	11.9
85.02916	4.8
91.05482	25.1
93.07056	41.8
95.04974	19.9
95.08601	35.0
97.02997	4.1
97.06529	11.2
97.10201	4.8
98.20795	8.6
99.08105	13.9
105.07039	28.5
107.08620	24.0
107.09240	3.5
109.06531	36.9
109.10165	13.2
110.79338	3.9
117.06994	5.5
119.08585	24.8
121.06537	20.0
121.10160	12.8
123.08078	8.8
123.11734	4.7
127.03947	5.3
129.07027	5.2
131.08572	15.5
133.10138	14.4
135.08090	10.7
135.11708	9.7
139.11215	7.7
143.08557	5.3
145.10159	18.1
147.11714	13.8
149.09621	5.3
151.11340	4.0
159.11688	7.8
161.09662	5.2
161.13338	8.6
163.11197	7.4
163.61087	3.7
165.12764	74.3
171.11661	12.1
173.13319	5.1
177.12766	13.0
181.15915	11.4
189.12743	6.5
191.14287	6.7
207.13872	10.0
209.64748	4.2
251.16457	5.0
261.22150	26.7
277.21539	6.3
279.23380	6.3
279.64767	8.0
289.21646	80.7
307.22742	25.6
333.24243	47.8
334.50455	4.0
351.25308	100.0
369.24319	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	369.2429
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
53.03947	7.5
53.40771	4.2
55.05511	23.7
57.03434	9.1
57.07080	17.0
59.05001	5.9
63.15225	3.8
67.05508	47.2
69.03433	8.0
69.07066	31.0
69.74970	5.0
71.05004	22.9
71.50858	6.5
72.08163	14.6
79.05509	31.7
81.07062	56.3
83.04990	18.5
83.08629	16.2
85.06542	37.9
86.09726	5.0
89.57996	4.1
91.05492	56.7
93.07044	42.8
95.04977	100.0
95.08607	55.8
97.06528	26.4
97.10219	7.3
99.08084	5.7
105.07039	62.2
107.04927	4.6
107.08588	48.3
109.02860	5.1
109.06549	20.7
109.10155	29.9
110.15767	4.2
111.08100	8.2
113.06006	10.1
113.45071	4.6
117.07045	20.0
119.08595	59.7
119.32416	4.7
121.06536	7.2
121.10147	35.2
123.08099	20.3
123.11732	10.2
125.09652	9.0
128.06224	12.5
129.07039	20.4
130.07779	9.7
130.90703	4.8
131.08575	54.8
133.10155	44.2
135.08051	31.5
135.11717	14.6
137.09642	19.8
141.06999	6.8
142.07805	14.3
143.08582	36.0
145.06505	5.8
145.10141	59.7
147.08072	19.2
147.11682	32.8
149.09647	30.0
151.07552	12.2
151.11224	8.6
153.07007	5.3
155.08562	16.9
155.10638	6.7
156.09377	16.9
157.10135	37.7
158.10880	5.8
159.08022	9.9
159.11671	29.4
161.09601	34.0
161.13293	14.3
162.50520	5.0
163.11208	10.0
165.06964	7.4
167.08623	6.2
167.10767	4.9
168.09395	6.1
169.10085	26.0
170.10881	8.2
171.11702	38.2
172.12465	8.1
173.09618	20.6
173.13274	17.8
175.11205	18.1
175.14917	8.5
179.08624	8.0
181.10191	16.6
182.10872	7.6
183.11711	27.5
185.09604	10.5
185.13274	23.5
187.11157	14.6
187.14720	5.4
189.12766	21.9
193.10147	17.4
195.00659	5.1
195.11752	28.4
196.12474	7.2
197.13245	25.0
199.11211	8.3
199.14868	10.4
201.12756	11.1
203.14384	10.3
207.11871	11.0
207.13774	11.0
208.12416	5.9
209.13246	20.9
211.11215	9.7
211.14813	15.2
213.12753	15.5
215.14299	14.5
220.12462	5.8
221.13235	12.5
221.15382	11.5
223.14854	17.2
225.12849	6.9
225.16409	9.5
227.14375	13.2
229.07397	6.2
229.15875	7.0
231.13901	6.1
233.15384	10.5
235.14871	15.7
237.12672	7.5
239.14328	6.3
241.15860	18.3
251.18015	6.9
253.15831	10.2
267.17490	12.7
269.15372	9.6
269.19086	13.3
275.18021	9.7
277.21832	5.5
293.19101	18.0
309.22089	11.2
311.20145	17.8
333.22229	10.1
351.23117	49.1
351.33575	5.1
369.19662	6.2
369.24231	91.3
383.97842	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	369.2428
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
53.03936	10.7
55.01853	8.7
55.05508	22.3
57.03450	7.1
57.07085	11.9
57.78225	5.8
59.04995	9.3
65.03958	5.8
67.05503	40.5
68.38542	5.9
69.03428	8.1
69.07065	24.1
71.04970	6.7
71.50712	7.5
73.91842	5.0
79.05502	32.6
81.07052	48.9
83.04995	7.4
83.08611	15.6
85.06547	7.3
91.05487	51.7
93.07052	54.8
95.05010	30.1
95.08607	66.8
97.02898	6.3
97.06530	21.5
98.03478	5.4
102.12842	7.7
105.07038	83.0
107.04951	10.1
107.08599	53.3
109.06516	12.8
109.10172	41.3
111.04375	6.9
111.08106	31.8
117.07019	26.8
119.08587	100.0
121.06534	9.0
121.10164	53.3
123.08060	9.5
123.11712	11.3
127.18684	6.0
128.06224	6.3
129.06998	21.6
131.08604	42.2
133.10164	61.1
133.96594	5.4
135.08061	19.7
135.11688	23.0
137.05980	65.4
137.09627	11.8
142.07802	8.5
143.08607	29.0
144.09343	8.1
145.06512	7.0
145.10133	72.0
147.08038	13.2
147.11700	19.9
149.09612	25.0
149.13295	8.9
153.06982	5.9
155.08528	19.8
156.09386	10.8
157.10146	43.2
158.10905	7.9
159.08057	18.3
159.11696	42.2
161.09645	12.2
161.13252	8.4
163.07605	6.5
163.14949	6.2
166.07765	6.8
167.08441	6.4
169.10187	19.2
170.10886	7.3
171.08070	6.6
171.11725	28.0
173.09660	7.3
173.13289	32.0
175.14886	27.9
179.08598	7.8
181.10147	17.6
183.11684	26.8
185.09734	11.2
185.13252	16.4
187.11185	13.9
187.14886	34.9
191.14259	10.6
193.10161	9.6
195.11697	19.8
196.12521	7.6
197.13237	23.7
199.11101	7.8
199.14790	13.6
201.12830	13.1
207.11678	14.4
209.13228	22.0
211.11215	16.5
211.14815	9.1
213.12810	8.8
213.16354	8.3
215.14406	8.4
233.15359	7.3
237.16420	10.5
239.14212	7.4
253.15800	6.8
257.15274	8.1
265.19556	9.5
269.15479	8.1
271.20746	5.8
279.31628	6.9
283.20801	7.1
315.20978	7.3
333.22186	6.6
351.23154	25.2
357.30569	6.2
369.24234	78.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	17.0
55.01870	9.5
55.05516	22.6
57.03436	13.7
57.07101	3.7
57.46203	3.3
59.05008	6.5
61.02936	3.5
62.04946	2.8
64.56370	3.1
67.05509	82.2
69.03440	16.3
69.07087	16.8
69.33093	19.7
70.06595	3.6
71.04996	8.2
71.08620	6.4
76.14921	2.8
79.05494	81.6
80.44355	2.8
81.03427	29.0
81.07065	61.0
83.04994	14.4
83.08625	13.6
85.02904	12.4
85.06535	11.3
91.05482	70.7
93.07051	100.0
95.04976	24.7
95.08620	43.0
97.02911	13.5
97.06535	12.4
97.10164	5.1
99.04460	7.1
105.06395	5.0
105.07043	58.6
107.04968	3.8
107.08595	34.8
109.02900	21.0
109.06533	11.3
109.10181	19.0
111.04453	3.6
111.08095	5.2
117.07030	14.2
119.08594	33.3
121.06527	5.9
121.10163	20.9
123.08094	12.1
123.11671	4.3
125.09618	3.9
127.03924	20.7
128.06233	8.6
129.07034	22.4
131.07111	3.5
131.08594	20.1
133.10124	27.6
135.08052	4.5
135.11688	20.7
137.09618	4.1
141.07027	3.4
143.08588	13.8
145.10126	25.5
147.08054	3.1
147.11691	57.2
149.09581	2.8
149.13260	6.8
151.07574	6.9
151.11209	4.9
156.09485	3.3
157.10127	7.3
159.10435	3.4
159.11757	9.6
161.09621	11.2
161.13228	17.5
163.11255	4.6
165.12720	3.3
171.11694	36.1
173.13304	6.2
183.11685	3.5
185.13333	5.0
187.11264	4.0
187.14841	6.9
189.12773	18.9
199.14894	3.6
205.15845	4.1
207.13792	32.7
213.16432	3.6
241.19547	5.1
246.67024	6.8
259.20642	10.4
274.18506	3.3
277.21423	19.4
351.18280	4.1
351.25415	11.8
369.24252	11.1
369.28439	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	368.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
55.01868	4.4
55.05271	1.6
55.05518	20.4
56.05047	2.7
57.03426	4.7
58.06609	8.2
60.04532	28.0
65.03934	1.9
67.05186	1.6
67.05512	24.2
68.05018	3.0
69.03422	4.5
69.07078	18.4
70.06596	3.8
70.84761	3.3
71.04993	9.4
72.04522	1.9
72.08158	3.3
79.05507	19.7
80.04991	2.6
81.03421	4.5
81.07063	22.2
83.04987	3.3
83.08638	10.3
84.08157	10.9
85.06538	4.2
86.09715	35.0
88.07633	3.8
91.05515	10.3
93.07055	18.4
94.06548	3.2
95.04978	7.4
95.08606	10.7
96.08120	4.3
97.06527	4.8
97.10179	18.8
100.02213	1.7
100.07618	2.2
103.05478	1.4
105.07050	9.7
106.06645	1.4
107.04954	4.6
107.08616	11.4
109.06524	8.1
109.10175	4.5
110.06022	2.0
111.08092	2.5
112.07626	30.6
113.06051	2.6
114.09171	1.8
117.07005	4.6
119.08617	6.6
120.08083	1.7
121.10145	10.6
122.09711	7.5
123.08076	5.7
125.09649	15.5
128.10732	37.6
129.07008	2.7
130.08676	4.3
131.08556	6.0
132.08110	1.8
133.10144	5.0
135.08064	5.7
135.11685	4.6
136.11232	2.7
138.12776	4.7
143.08575	3.6
145.06448	1.6
145.10149	5.8
147.08029	1.9
147.11687	2.5
148.11237	2.0
149.09636	2.5
149.13300	2.0
154.08630	7.9
154.12309	2.3
157.10146	2.8
157.46873	1.4
159.11739	3.6
161.09659	2.1
161.13329	1.9
163.11179	2.8
172.09721	9.7
177.12737	3.2
180.13878	16.7
182.15446	2.4
187.11244	3.1
189.11205	11.8
195.13837	2.1
208.13313	2.3
217.15840	3.6
221.15424	3.6
223.13307	5.8
268.15463	1.4
272.20224	2.4
273.18506	6.9
290.21082	13.2
291.19519	10.9
308.22238	16.0
332.22421	2.7
350.23325	21.1
368.24356	100.0
369.24667	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	367.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	21.9
57.07081	16.2
67.05520	33.0
69.07076	36.5
71.05382	3.1
71.08640	19.6
71.51160	5.0
79.05488	16.6
81.07063	75.9
83.08616	21.7
85.10188	6.0
91.05486	29.3
93.07049	30.9
95.08614	52.9
97.10165	11.1
105.07040	43.4
107.08615	21.2
109.10165	26.2
111.11744	7.9
117.07003	14.6
119.08564	24.4
121.10161	10.5
123.11723	10.1
125.13340	3.4
130.07840	4.0
131.08566	22.4
133.10149	34.5
135.11703	9.2
137.13309	4.7
143.08592	8.5
145.10138	62.9
147.11691	27.5
149.13301	5.5
149.68613	3.0
157.10162	12.1
159.11707	50.7
161.13297	12.2
171.11681	4.3
173.13264	16.5
185.13301	6.9
187.14847	6.1
199.14825	10.1
201.16338	3.9
213.16412	9.3
229.54442	3.2
241.19493	4.8
255.21089	6.6
260.91437	3.4
277.17175	3.7
367.26379	5.3
367.33670	100.0
368.34222	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09565	1.2
53.03941	3.5
53.49965	1.2
55.05515	16.5
57.05548	1.2
57.07084	17.2
65.03945	2.6
67.05510	31.1
69.07075	26.7
70.08173	2.9
70.08531	3.3
71.08636	14.7
77.37234	1.3
79.05495	16.4
81.07063	69.3
83.08626	20.4
85.10184	3.6
91.05482	25.3
93.07047	23.4
95.04980	1.5
95.08613	46.3
97.10186	14.5
98.20850	1.8
105.07040	39.1
107.08604	25.5
109.06568	1.8
109.10157	28.8
111.11743	6.6
115.05450	1.7
117.07020	17.9
119.08588	18.1
121.10154	12.3
123.11708	8.3
125.13272	2.8
129.07002	5.5
130.07805	4.2
131.08591	22.4
133.10139	38.5
135.11690	8.8
137.13275	3.8
142.07782	3.1
143.08601	6.3
144.09312	2.9
145.10138	62.6
147.11691	29.6
149.13263	4.1
149.57376	1.3
151.14847	2.8
157.10107	10.1
159.11700	41.4
161.13289	11.4
163.14876	2.7
165.16472	2.0
171.11714	5.3
173.13269	15.1
175.14873	2.3
177.16295	1.4
185.13266	6.3
187.14856	5.5
189.16411	2.7
193.19626	2.0
199.14848	8.1
201.16400	2.5
205.19588	1.3
207.21106	1.7
213.16383	9.8
219.21152	3.9
220.22644	1.4
227.17960	3.6
233.22667	2.0
241.19557	5.7
247.24362	3.3
255.21204	4.5
259.24191	1.7
261.25931	2.1
271.24060	1.6
273.25809	3.2
326.34097	2.2
367.33658	100.0
368.34015	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	367.2845
Annotation	3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene
Peak:m/z	Relative Intensity
53.03939	1.8
55.01853	1.2
55.05276	1.0
55.05515	14.9
55.57106	0.9
57.03424	2.3
57.07069	6.3
59.04998	2.5
65.03918	1.2
67.05185	1.4
67.05511	18.8
69.03416	2.1
69.06738	1.5
69.07076	20.6
71.04970	2.2
71.08637	13.0
71.50992	1.0
72.08154	3.8
79.05501	10.7
81.03418	1.4
81.06598	1.5
81.07061	25.6
83.04983	3.0
83.08626	10.1
85.06558	6.6
89.36578	0.9
91.05489	11.9
93.07047	18.1
95.04954	4.0
95.08612	23.9
97.02857	1.5
97.06538	4.5
97.10183	2.8
99.08099	12.7
105.07040	16.3
107.08601	17.2
109.06525	9.6
109.10175	13.8
111.04463	2.2
111.08090	3.8
117.07034	4.0
119.08590	14.6
121.06514	4.5
121.10162	11.3
122.07289	1.1
123.08078	26.1
123.11710	5.6
125.05988	2.6
125.09622	2.8
128.06187	1.1
129.06989	1.7
130.07748	1.1
131.08568	6.9
133.10133	11.8
135.08047	7.0
135.11697	5.9
137.09595	2.9
137.13255	2.1
139.07579	1.5
139.11203	1.7
142.07777	1.6
143.08546	3.2
144.09294	1.8
145.10130	9.7
147.08002	2.6
147.11731	5.1
149.09602	3.9
149.13251	4.0
151.11205	1.3
153.12735	6.5
155.08551	1.5
156.09325	1.1
157.10132	4.0
159.11708	4.8
161.09615	3.8
161.13271	2.8
163.11169	2.2
163.14764	2.0
165.12772	1.9
167.14290	1.2
169.10152	1.6
170.10870	1.1
171.11700	1.9
173.13257	3.3
175.11272	1.6
175.14836	2.9
177.12854	1.3
177.16307	1.1
179.14323	32.5
182.10880	1.4
183.11581	1.3
185.13246	1.4
187.11394	1.0
187.14882	1.9
189.16528	1.8
191.14317	3.2
193.15880	2.4
195.11731	1.7
197.13242	2.7
199.14737	1.4
201.12852	1.0
205.15736	1.3
209.13417	2.3
209.15247	1.1
211.14749	1.1
219.17365	1.2
223.14883	1.5
230.14360	0.9
233.19023	1.8
251.20090	10.3
265.09171	1.4
275.20163	1.3
293.21170	11.3
293.28427	3.8
301.11316	1.1
303.26807	13.3
318.26193	0.9
321.27875	6.7
331.26346	44.0
349.27405	100.0
350.27655	2.4
367.22519	2.9
367.27493	4.4
381.80255	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
55.05515	1.9
57.03445	6.4
59.05008	100.0
64.44768	0.6
66.35989	0.5
66.62949	0.5
67.05511	4.7
69.07082	1.9
70.06615	2.2
71.04991	0.7
72.08168	3.2
79.05511	2.8
81.07066	4.8
83.05013	0.6
83.08648	1.1
84.08173	2.4
85.02899	0.7
86.09749	1.0
91.05505	2.3
93.07048	2.9
95.05007	1.1
95.08618	1.9
97.06559	1.7
99.08147	1.6
105.07075	2.4
107.04990	1.0
107.08624	2.2
109.10156	0.9
110.09605	0.6
115.07647	0.8
117.07052	0.7
117.09143	20.0
119.08619	2.0
121.10188	0.7
123.04443	0.7
123.11696	0.6
131.08661	1.2
133.02855	3.1
133.10185	1.7
135.08131	0.7
135.11784	1.0
136.06256	0.7
137.06070	1.8
141.93132	0.5
145.10150	1.2
147.11781	0.9
149.09660	1.0
149.13307	0.8
159.11812	0.7
173.13448	0.6
175.13351	3.8
261.10312	0.9
275.20203	1.8
279.11514	0.8
335.09393	0.7
367.15750	1.8
367.21362	1.0
394.74786	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.5
55.05516	25.8
57.03434	3.8
57.07071	8.1
59.04997	3.7
59.23592	2.8
65.03942	4.2
67.05511	41.0
69.03439	7.5
69.07070	26.1
69.75691	10.4
69.76089	5.3
71.04993	8.3
77.85015	2.6
79.05495	41.6
81.07059	54.3
83.04974	6.6
83.08611	9.5
83.90665	3.1
85.06547	7.5
85.10220	2.8
91.05485	62.7
93.07054	81.1
95.04984	39.1
95.08622	52.7
97.06516	16.1
97.47025	2.7
99.08070	3.1
103.05489	6.0
105.07040	99.7
107.08603	62.2
109.06518	10.2
109.10168	38.4
111.08058	3.1
115.05487	4.8
116.06258	3.4
117.07038	20.0
119.08592	100.0
121.06510	9.4
121.10162	50.8
121.11023	3.9
123.08080	5.5
123.11717	19.8
128.06226	15.5
129.06996	21.7
130.07796	10.3
131.08580	60.9
133.06551	4.7
133.10144	56.0
135.08069	18.2
135.11696	21.5
137.09622	9.1
141.07016	6.7
142.07809	24.9
143.08589	43.9
144.09315	12.3
145.06509	4.2
145.10132	66.8
146.07281	5.9
147.08054	13.0
147.11691	24.9
149.09648	15.0
153.06993	3.6
155.08607	14.9
156.09369	13.2
157.10135	53.6
158.10910	7.6
159.08087	6.2
159.11699	38.5
161.09608	46.9
161.13255	10.0
163.11148	4.0
165.07088	5.8
167.08566	6.4
168.09343	6.4
169.10109	28.5
170.10916	7.7
171.11671	20.5
172.12404	4.0
173.09602	6.2
173.13263	25.0
175.11189	10.7
175.14845	22.3
179.08566	10.1
180.09329	4.2
181.10126	11.6
182.10902	6.6
183.11717	27.0
184.12537	3.5
185.09659	5.1
185.13274	18.6
187.11131	3.5
187.14848	13.7
189.12801	6.1
193.10094	6.3
194.10999	7.2
195.11790	15.1
196.12526	5.0
197.13289	20.0
199.11263	3.8
199.14833	19.5
201.12778	8.5
201.16368	6.0
205.61757	2.8
207.11650	9.4
209.13304	22.2
211.14821	12.2
213.12836	4.8
215.14328	4.7
221.13269	4.6
222.14131	3.6
223.14835	8.1
225.16394	9.2
227.14368	17.8
227.17941	3.1
237.16417	3.6
239.18039	8.1
251.18010	6.9
253.19604	4.7
255.17505	4.3
265.19598	5.4
267.17535	5.5
269.18985	4.5
286.50546	2.7
293.18893	5.1
349.25302	9.0
367.22412	3.8
367.26624	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	367.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	7.3
54.75749	4.0
55.05512	25.3
57.07065	9.3
59.04988	4.9
65.03946	6.8
67.05177	5.3
67.05510	60.7
69.03415	7.5
69.07073	28.7
69.40601	13.5
69.41029	16.9
71.04977	7.9
79.05499	39.7
81.07062	64.6
82.07372	7.5
83.04988	6.5
83.08620	13.2
83.18754	3.7
85.06540	11.6
91.05486	70.6
93.06489	7.9
93.07046	99.8
95.04977	37.8
95.08611	70.4
97.06516	14.3
98.21492	5.4
99.25356	3.2
103.05450	4.6
105.07036	100.0
105.18797	3.7
107.04976	4.4
107.08599	69.0
109.06507	15.6
109.10164	47.8
111.08069	9.1
115.05415	8.2
116.06257	4.6
117.07013	23.2
118.41895	3.4
119.04972	5.4
119.08587	97.3
121.06529	11.3
121.10149	51.6
123.08073	12.5
123.11697	18.3
128.06206	13.7
129.07031	24.8
131.08574	62.9
133.10139	67.5
135.08047	17.3
135.11690	27.6
141.06984	9.4
142.07843	17.5
143.08551	35.8
144.09341	11.8
145.06502	6.0
145.09071	5.2
145.10138	72.3
146.07245	6.2
147.08058	11.1
147.11670	20.9
149.09622	16.0
149.13277	7.2
154.07744	4.5
155.08540	18.8
155.25179	3.6
156.09337	18.4
157.10146	60.6
158.10861	7.1
159.08060	8.5
159.11717	47.4
161.09622	59.0
161.13200	11.2
163.11157	8.3
167.08525	9.5
168.09322	7.5
169.10164	21.7
170.10844	5.9
171.11688	29.9
172.12457	5.6
173.09465	5.8
173.13278	32.3
175.11197	10.2
175.14804	21.7
179.08594	11.5
180.09428	6.5
181.10115	13.5
182.10852	5.1
183.11699	32.2
184.12444	4.6
185.13287	20.7
187.11218	5.1
187.14774	16.7
189.12779	5.3
193.10179	4.5
194.10880	5.7
195.11664	20.1
197.13225	20.7
199.14825	17.1
201.12776	7.1
201.16394	5.6
207.11496	4.4
208.68887	4.6
209.13254	27.3
210.13918	4.8
211.14893	7.8
213.12749	10.6
213.16417	8.3
217.15828	4.6
223.14687	7.6
227.14290	14.6
237.16447	6.2
239.17963	13.2
241.19727	3.9
241.81818	4.2
251.17998	7.2
253.19554	4.8
257.18961	5.5
265.19574	6.0
269.19061	5.2
271.20438	4.7
283.20627	4.7
308.26523	13.2
349.25238	9.8
367.26205	16.8
367.33987	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.4
55.05515	39.3
57.03433	7.3
57.07065	14.4
59.04994	16.2
59.22086	3.9
65.03931	5.0
67.05511	54.6
69.03420	12.6
69.07072	26.2
71.08617	5.0
71.50970	3.9
79.05501	45.5
81.07059	66.2
83.04964	9.1
83.08617	7.6
85.06544	41.9
91.05484	62.1
93.07048	75.6
94.01193	4.1
95.04967	34.5
95.08611	63.3
97.06512	14.6
97.10206	5.1
105.06313	5.7
105.07031	93.7
107.04952	6.0
107.08611	57.9
109.06538	15.1
109.10162	46.2
110.46661	4.1
111.08067	10.5
115.05397	7.7
117.06992	22.0
119.08581	100.0
121.06518	11.5
121.10149	52.3
123.08107	7.3
123.11686	13.4
128.06204	14.7
129.07034	25.0
130.07811	6.5
131.08582	46.5
133.10143	65.9
135.08037	15.3
135.11693	26.8
137.09636	12.1
137.92789	4.2
141.06987	12.4
142.07791	23.1
143.08560	39.2
144.09349	10.1
145.10136	63.1
146.07291	5.3
147.08029	12.5
147.11702	23.5
149.09650	20.6
149.13275	4.6
155.08516	17.6
156.09341	11.8
157.10150	53.3
157.95270	4.7
158.10873	5.0
159.08118	9.4
159.11739	35.6
161.09641	41.6
161.13295	14.6
163.11270	5.1
165.06993	10.9
167.08614	7.7
168.09344	7.8
169.10117	21.0
170.10843	9.5
171.11743	23.1
171.12971	4.6
173.09554	7.4
173.13272	23.6
175.11215	10.4
175.14793	17.4
179.08595	10.7
180.09344	5.6
181.10118	9.6
182.10973	6.9
183.11742	26.2
184.12425	6.2
185.09714	5.1
185.13225	17.2
187.11172	4.4
187.14771	14.1
189.16240	4.6
193.10201	5.3
194.10931	7.1
195.11708	13.2
197.13216	16.2
199.14821	12.4
201.16444	8.2
207.11691	6.3
209.13235	16.8
211.14850	10.0
213.12730	7.3
215.14326	7.4
221.13269	6.2
223.14835	8.2
225.16335	4.4
227.14272	13.8
235.14677	5.0
239.17953	8.0
241.19563	5.8
243.86961	4.7
251.17941	5.2
253.19539	6.0
255.17332	6.0
261.16397	5.9
271.20819	4.7
275.20432	6.3
289.61832	5.1
349.25198	10.2
367.26108	21.2
367.30472	9.7
371.04910	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	367.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	7.4
55.01872	4.6
55.05518	24.0
57.03444	4.0
57.07072	3.2
58.23014	3.6
59.04993	3.5
67.05504	32.8
69.03422	12.3
69.07067	22.7
71.04985	3.3
71.51414	4.4
79.05499	36.1
81.07057	38.8
83.05000	6.0
83.08630	8.9
85.06564	4.9
91.05491	42.8
93.07053	100.0
95.04968	22.9
95.08607	41.1
97.06537	11.3
103.05425	4.1
105.07041	69.1
107.00828	3.1
107.08598	47.5
109.06509	23.1
109.10169	18.7
111.08055	8.5
115.05512	3.4
116.06161	4.3
117.07034	11.7
119.08585	50.8
121.06500	12.2
121.10144	47.2
123.08102	16.8
123.11716	8.6
128.06248	10.0
129.07019	11.2
130.07799	6.1
131.08549	20.7
131.28494	3.0
131.63289	3.1
133.10129	22.3
135.08070	47.0
135.11681	10.2
137.09633	6.3
141.06987	6.6
142.07788	25.6
143.08553	18.8
144.09497	3.2
145.10143	38.8
147.08061	10.9
147.11694	16.9
148.08812	5.0
149.09651	25.7
149.13322	6.0
151.11201	3.3
155.08572	8.3
156.09366	7.4
157.10146	32.2
159.11723	15.9
161.09636	18.8
161.13274	6.0
163.11227	7.5
163.14833	8.0
163.83316	3.5
165.06970	3.6
165.12750	4.0
169.10234	6.9
171.11707	8.7
173.09605	7.4
173.13399	6.4
174.10576	3.9
175.11133	16.4
175.14854	13.4
176.11925	3.2
183.11790	8.2
185.09669	3.7
185.13255	14.3
191.14314	30.2
193.10167	3.4
193.15866	8.3
197.13292	4.0
199.14815	6.3
201.12764	4.2
203.14323	37.5
205.15891	96.7
209.13277	5.9
211.14995	3.7
213.12756	8.1
217.15845	10.9
218.16635	18.5
227.14421	3.9
252.39069	3.6
255.17493	5.9
266.49655	3.1
270.19714	4.4
270.42560	3.3
271.20712	12.0
283.20624	10.5
287.20065	7.3
349.25189	8.3
367.22458	6.4
367.26376	56.7
367.33554	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	366.337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.01865	1.5
55.05517	24.4
56.49816	0.6
57.07087	4.1
60.08163	3.6
65.03937	2.0
67.05510	66.1
68.05838	1.0
69.03426	0.7
69.07072	31.6
69.33510	5.7
69.43952	0.7
71.04980	1.8
71.08628	1.4
73.02910	2.4
74.64465	0.6
79.05070	1.2
79.05502	15.1
81.07062	70.3
82.07410	0.9
83.04978	1.6
83.08627	13.1
85.06545	2.0
86.09687	1.8
91.05478	5.5
93.07051	13.5
95.05016	1.3
95.08614	50.2
96.08881	0.7
97.06522	2.2
97.10155	3.8
98.21457	1.3
99.04462	3.5
99.08081	0.9
105.07072	3.3
107.08603	5.9
109.06517	1.1
109.10165	18.2
109.48120	0.7
119.08595	3.5
121.10124	5.2
123.08068	1.7
123.11697	5.8
131.08537	1.4
133.10112	2.6
135.08084	0.8
135.11676	2.7
137.13249	1.7
147.11708	1.6
149.09651	0.9
149.13266	1.4
151.14789	1.2
159.11723	1.3
161.13309	1.3
163.14903	0.8
173.13214	1.0
187.14888	0.8
191.14372	1.0
263.68149	0.7
307.26331	100.0
308.26596	2.7
331.26340	0.7
349.27499	1.8
366.33688	99.9
367.33960	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	366.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01849	0.7
55.05515	3.6
57.07072	0.7
57.33907	0.6
60.04530	60.2
60.26054	0.6
65.03909	0.7
67.05511	11.1
69.03430	1.2
69.07069	3.4
70.02945	2.4
71.50402	1.0
79.05498	10.5
81.03423	0.9
81.07058	11.5
83.08617	1.3
88.03996	28.5
91.05490	8.1
93.07050	12.8
95.04970	3.0
95.08614	8.4
97.06542	0.7
99.79121	0.6
105.07033	5.5
106.05038	100.0
107.08591	6.8
108.08994	0.7
109.06488	1.0
109.10170	3.0
110.04808	0.7
111.05549	0.8
111.66080	0.6
117.07027	2.4
119.08602	4.8
121.10153	6.5
122.06523	0.8
123.11745	1.6
127.03863	1.3
131.08580	3.9
132.10237	0.7
133.10106	3.1
135.08044	0.8
135.11671	3.4
145.10121	3.0
147.11708	2.0
149.13274	2.6
157.10092	0.9
159.11765	2.0
161.13295	2.5
163.14885	1.6
171.11702	1.0
173.13268	1.8
185.13231	0.7
187.14824	1.1
195.11621	0.9
199.14816	0.8
201.16699	0.6
233.22662	0.7
243.21143	2.2
244.20232	0.7
255.98924	0.6
261.22186	4.9
348.25427	1.5
366.20059	0.7
366.26071	3.2
377.44681	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17878	0.7
55.05517	3.8
56.05041	4.2
58.06592	2.2
58.32814	0.7
60.04262	1.0
60.04529	12.0
67.05498	1.9
69.07064	0.9
69.49916	5.3
70.06593	8.3
71.04984	1.3
72.08157	26.3
74.06082	9.7
79.05467	1.7
81.03436	0.8
81.07052	3.0
81.08711	0.8
82.06600	0.8
84.04484	3.8
84.08155	5.0
86.09708	53.3
88.03998	0.9
91.05486	6.8
93.07037	2.2
95.05000	1.0
95.08596	2.1
97.06580	1.0
98.06062	1.4
101.07147	4.6
103.05486	2.6
105.07001	1.4
106.04993	0.9
107.08556	0.8
110.07183	0.9
110.09644	0.9
112.07568	1.3
112.11179	0.8
118.06557	1.1
119.04986	4.1
119.05692	0.6
120.08109	100.0
121.08447	1.4
128.10713	4.8
129.10225	3.4
130.06566	5.0
131.08710	0.6
132.08080	1.7
132.10214	1.6
136.07582	50.3
144.08086	2.0
154.04982	0.7
155.11868	1.1
158.09653	1.7
166.08620	3.3
172.07544	1.5
173.12863	15.6
176.10773	1.4
190.08658	2.5
201.12354	7.5
207.11304	21.7
211.52388	0.6
215.07054	1.4
216.07411	2.2
221.12869	10.4
233.16495	29.6
234.16925	0.9
235.10777	7.4
249.12479	3.0
253.11865	4.9
260.10074	1.3
261.16080	7.9
265.15564	1.0
267.13449	3.1
295.16519	1.5
312.25464	2.0
330.26376	4.6
339.68173	0.8
348.12119	1.2
348.19427	3.9
348.27411	4.5
366.21252	1.7
366.28619	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	366.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
57.03446	0.9
64.73515	0.4
69.03436	0.6
70.06586	1.0
71.10262	0.5
72.08161	2.3
84.08197	0.5
86.09713	1.0
89.10825	0.7
100.10288	0.4
101.00906	1.1
109.07700	0.4
110.03542	0.5
110.07198	0.7
119.01966	1.5
119.26083	0.4
129.10280	0.5
131.02003	0.9
149.03107	3.6
149.97017	0.4
151.04509	0.5
152.70468	0.4
156.07971	0.4
167.04156	4.3
174.02676	0.9
175.03444	0.7
188.06885	0.5
192.03683	33.6
200.07178	0.6
203.02582	0.5
207.02359	2.4
209.05212	0.5
210.04755	77.9
210.38380	0.5
211.03157	0.5
211.04994	1.7
225.03421	4.6
228.05879	5.5
233.06377	0.8
234.04742	90.4
235.02913	2.5
235.05016	1.6
252.05812	100.0
253.06198	2.8
260.09155	0.6
266.07172	0.6
270.06900	3.5
275.07385	1.2
293.17984	0.5
302.01428	0.6
306.04160	0.7
342.08917	1.0
345.55075	0.4
354.29871	0.5
366.08624	2.1
367.09088	0.5
384.09988	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2025
Annotation	Ser Ile Phe
Peak:m/z	Relative Intensity
52.03188	0.5
60.04530	21.1
69.07069	1.6
69.39880	4.2
70.02954	1.9
70.06596	1.5
72.04523	1.1
72.08163	1.3
77.53192	0.5
81.07034	0.7
84.08167	0.8
86.09711	70.6
87.05597	17.1
87.06126	0.9
87.10011	0.6
88.52805	0.6
93.07047	0.7
97.06533	3.4
98.06884	1.7
103.05471	1.6
105.06990	0.7
120.08114	31.1
128.10718	8.4
136.06235	0.7
136.42520	0.5
144.08038	1.0
161.02324	1.1
162.02673	1.0
162.09161	1.3
163.03912	2.4
164.04274	1.6
166.08650	13.6
173.02370	1.9
173.12872	100.0
174.02661	1.8
174.13266	1.4
201.12357	22.8
207.11290	5.9
215.07059	2.0
216.07388	3.9
219.13474	0.9
235.10794	1.4
259.09570	1.5
260.09998	6.9
261.38574	0.6
277.10608	1.3
278.11026	3.2
279.17041	2.1
348.12296	0.7
348.19955	2.0
349.18134	0.7
366.20850	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.269
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
55.05502	0.7
57.07086	1.5
67.05513	1.3
69.07080	1.2
69.74629	1.5
71.04993	0.3
79.05484	0.8
81.07069	1.6
83.05007	0.3
83.08616	0.5
85.06561	0.4
88.37549	0.3
91.05487	1.4
93.07031	1.2
95.08619	1.3
97.06521	0.4
101.38850	0.2
105.07020	1.0
107.08607	1.2
109.06540	1.5
109.10121	0.7
117.07031	0.4
119.08588	0.8
121.10178	0.6
123.08073	3.6
124.08871	1.6
133.10196	0.3
135.08046	0.5
135.11719	0.3
137.05977	0.3
137.09634	0.5
145.10123	0.3
147.11684	0.5
149.13225	0.2
151.07559	3.8
152.08347	6.1
157.10129	0.4
159.11626	0.4
161.09624	0.4
165.09138	8.0
166.09924	0.5
172.18733	0.2
177.09103	0.4
179.10725	1.9
179.14212	0.3
181.10141	0.3
181.12245	0.5
185.88911	0.3
194.13052	3.5
207.13799	1.4
221.15443	0.3
235.16951	0.6
249.18524	0.9
256.88889	0.3
263.20023	2.0
277.21692	0.6
312.04819	0.3
319.26254	0.9
347.25851	14.9
348.26010	0.5
365.26904	100.0
366.27222	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	365.2688
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
52.87545	0.2
55.05515	1.4
57.07083	2.2
67.05509	1.8
68.05848	0.2
69.07073	1.1
69.57457	1.3
71.04996	0.3
79.05508	1.1
80.05850	0.2
81.07053	2.1
83.08617	0.5
85.06541	0.6
91.05479	0.7
93.07049	1.4
94.07304	0.2
95.04962	0.6
95.08640	1.1
103.56171	0.2
105.07024	0.9
107.07966	0.2
107.08591	1.1
109.06532	1.6
109.10167	0.6
111.08018	0.3
117.07072	0.2
119.08567	0.8
121.10106	0.4
123.08057	3.8
124.08868	1.7
125.06047	0.4
131.08588	0.4
133.10120	0.8
135.08043	0.6
135.11707	0.3
137.05981	0.6
137.09644	0.3
138.06808	0.3
139.07510	0.2
142.07832	0.3
143.08548	0.3
145.10150	0.3
147.08118	0.4
149.09647	0.3
151.07547	4.1
151.11159	0.3
152.08324	7.5
157.10133	0.5
161.09663	0.4
165.09120	9.8
165.12808	0.4
166.09862	0.8
167.10551	0.2
169.10188	0.3
171.11679	0.4
175.11186	0.3
177.09122	0.3
177.12733	0.3
179.10666	2.2
181.12222	0.6
185.13165	0.4
187.11224	0.2
191.10670	0.2
193.12202	0.3
194.13008	3.6
195.13728	0.3
200.08388	0.2
203.14444	0.2
207.13766	1.8
209.13071	0.2
217.39854	0.2
220.01494	0.2
221.15376	0.3
235.16924	0.7
249.18530	1.1
251.17534	0.2
263.20065	1.9
277.21579	0.5
305.24805	0.2
306.25064	0.8
307.26349	0.3
309.20071	0.2
319.26273	1.1
347.25824	17.8
348.26129	0.4
365.26874	100.0
366.27225	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	365.2689
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
55.01809	0.7
55.05408	2.5
55.05696	0.7
57.06972	6.0
57.07288	2.0
66.72598	0.4
67.05388	4.5
67.05786	1.1
68.05745	0.8
69.03353	0.5
69.06948	4.0
69.07357	0.9
69.37042	3.1
71.08549	0.5
72.42970	0.4
79.05370	3.2
79.05862	0.9
80.05708	0.8
80.06116	0.4
81.06931	4.8
81.07455	0.9
82.07299	0.8
83.08521	0.9
85.06417	4.6
85.06961	0.7
91.05460	2.1
93.06915	4.5
93.07563	0.9
94.07285	0.7
95.04830	1.0
95.08472	3.9
96.08788	0.6
97.06445	0.9
105.06895	1.9
107.08459	2.8
109.06388	2.9
109.10035	1.5
111.04299	1.3
111.07994	0.7
119.08429	2.0
121.10013	1.4
123.08080	6.7
124.08765	0.8
125.05908	0.9
131.08481	0.7
133.10004	1.1
135.08075	2.2
135.11513	1.4
137.05872	0.8
139.07463	0.7
143.08522	0.4
145.09990	0.8
147.11540	1.6
149.09512	0.7
149.13164	0.7
151.07564	3.5
151.11195	0.6
152.08334	3.8
157.23903	0.4
159.11516	0.7
161.09567	0.5
161.13086	0.7
163.07478	0.4
163.11099	0.5
165.09120	14.1
165.12563	1.2
166.09698	0.9
175.11111	0.8
177.09064	0.9
177.12619	0.6
179.10686	2.4
179.14256	0.8
185.13234	0.4
191.14127	0.4
193.12141	1.3
195.13750	1.2
208.14644	1.8
219.13707	1.0
221.15387	3.1
235.16908	0.6
249.18391	1.2
263.17548	0.5
263.20078	4.7
279.19528	0.6
291.19547	0.5
305.24771	4.1
306.25079	5.3
319.26385	5.2
337.27371	1.0
347.25842	56.6
348.26306	2.3
365.26926	100.0
365.32169	5.7
366.27255	3.1
366.33133	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59695	0.3
53.03935	0.3
55.05295	0.3
55.05515	2.3
56.05850	0.3
57.03427	0.4
57.07092	1.8
67.05511	3.7
68.05824	0.5
69.07077	1.5
70.63135	0.7
76.11124	0.2
79.05499	2.0
80.05840	0.5
81.07056	3.4
82.07394	0.7
83.04971	0.4
83.08607	0.6
84.63748	0.2
85.06538	0.7
89.67818	0.3
91.05480	1.2
92.05811	0.3
93.07056	3.0
94.07392	0.7
95.04968	0.5
95.08614	2.5
96.08940	0.6
96.28136	0.3
97.06560	0.3
105.07018	0.9
107.08614	2.1
109.06543	1.7
109.10159	1.2
117.06969	0.3
119.08595	1.1
121.10152	0.9
122.10502	0.4
123.08089	3.7
123.11698	0.4
124.08867	1.9
131.08621	0.3
133.10143	0.4
135.08075	0.6
135.11665	0.5
137.06006	0.5
137.09616	0.4
139.07628	0.3
143.08571	0.3
145.10152	0.5
147.11659	0.6
151.07559	4.4
152.08342	7.1
159.11682	0.5
161.09631	0.4
162.65457	0.3
165.09131	10.5
165.12718	0.4
166.09885	0.8
175.11224	0.4
177.09122	0.4
177.12715	0.5
179.10675	2.3
179.14359	0.3
181.12198	0.4
193.12352	0.4
194.13063	3.9
196.45375	0.2
207.13896	1.6
233.15334	0.3
235.16974	0.9
249.18462	0.9
263.20120	2.2
277.21649	0.3
305.24667	0.7
306.25116	3.5
313.25815	0.3
319.26300	1.5
347.25842	17.1
348.26108	0.6
365.26917	100.0
365.32065	4.3
366.27271	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	365.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74556	1.7
55.01866	3.9
55.05508	15.1
57.03437	3.0
57.07078	95.2
58.48476	1.7
59.04996	2.3
61.74599	1.7
64.20930	1.8
67.05508	19.7
69.03429	2.6
69.07069	44.2
71.04979	4.2
71.51201	2.9
79.05496	19.2
81.03420	2.4
81.07062	25.1
83.04973	6.9
83.08625	13.2
85.06547	69.3
86.06866	1.7
86.09690	5.7
91.05489	9.9
92.31317	1.7
93.07038	29.0
95.04950	4.8
95.08607	22.8
97.06530	17.8
97.10192	1.9
101.06005	2.1
105.07037	11.3
106.67984	2.0
107.08597	23.3
109.06520	27.9
109.10140	9.5
111.08076	9.4
111.11720	3.8
117.07008	3.0
119.08592	10.2
121.10175	9.4
123.08081	9.9
123.11757	2.4
125.00028	4.4
131.08586	3.3
133.10109	5.2
135.08072	31.8
135.11687	33.2
143.08546	2.1
145.10109	7.4
147.11650	4.2
149.09636	4.4
149.13225	2.5
151.07532	7.3
153.12735	20.2
157.10193	2.4
159.11678	3.8
161.09637	3.0
163.11160	4.3
165.12788	12.4
167.14311	6.0
171.11575	2.0
177.12706	12.1
177.65636	1.6
179.14342	2.7
181.10088	1.7
181.12202	2.4
183.11566	2.2
184.07365	14.1
185.13190	2.1
193.12231	7.9
195.13760	3.6
201.14929	2.1
203.34407	1.9
209.91394	12.8
211.91090	4.3
217.14317	15.9
255.92220	1.9
256.91684	6.1
263.20074	69.4
274.92767	4.3
279.19464	4.2
281.21152	3.6
291.19617	3.0
292.00394	1.9
314.80136	1.9
337.27307	6.3
347.25864	100.0
348.26178	4.6
364.83203	4.9
365.27417	12.3
365.82910	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	365.2688
Annotation	Vitetrifolin F
Peak:m/z	Relative Intensity
54.74556	1.7
55.01866	3.9
55.05508	15.1
57.03437	3.0
57.07078	95.2
58.48476	1.7
59.04996	2.3
61.74599	1.7
64.20930	1.8
67.05508	19.7
69.03429	2.6
69.07069	44.2
71.04979	4.2
71.51201	2.9
79.05496	19.2
81.03420	2.4
81.07062	25.1
83.04973	6.9
83.08625	13.2
85.06547	69.3
86.06866	1.7
86.09690	5.7
91.05489	9.9
92.31317	1.7
93.07038	29.0
95.04950	4.8
95.08607	22.8
97.06530	17.8
97.10192	1.9
101.06005	2.1
105.07037	11.3
106.67984	2.0
107.08597	23.3
109.06520	27.9
109.10140	9.5
111.08076	9.4
111.11720	3.8
117.07008	3.0
119.08592	10.2
121.10175	9.4
123.08081	9.9
123.11757	2.4
125.00028	4.4
131.08586	3.3
133.10109	5.2
135.08072	31.8
135.11687	33.2
143.08546	2.1
145.10109	7.4
147.11650	4.2
149.09636	4.4
149.13225	2.5
151.07532	7.3
153.12735	20.2
157.10193	2.4
159.11678	3.8
161.09637	3.0
163.11160	4.3
165.12788	12.4
167.14311	6.0
171.11575	2.0
177.12706	12.1
177.65636	1.6
179.14342	2.7
181.10088	1.7
181.12202	2.4
183.11566	2.2
184.07365	14.1
185.13190	2.1
193.12231	7.9
195.13760	3.6
201.14929	2.1
203.34407	1.9
209.91394	12.8
211.91090	4.3
217.14317	15.9
255.92220	1.9
256.91684	6.1
263.20074	69.4
274.92767	4.3
279.19464	4.2
281.21152	3.6
291.19617	3.0
292.00394	1.9
314.80136	1.9
337.27307	6.3
347.25864	100.0
348.26178	4.6
364.83203	4.9
365.27417	12.3
365.82910	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	365.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.9
53.87794	1.8
55.01885	1.8
55.05516	21.0
56.05845	2.5
57.03419	3.7
57.07060	8.1
59.04975	2.9
59.76822	1.7
60.94064	1.8
65.03925	2.4
67.05181	2.9
67.05513	39.0
68.05830	3.7
69.03421	6.9
69.07080	16.8
71.04991	1.9
71.50687	1.7
71.51080	2.1
79.05502	26.7
80.05820	3.1
81.07061	33.7
83.04995	3.2
83.08617	7.7
85.06541	8.1
91.04974	3.2
91.05488	34.6
93.07056	38.9
94.07386	2.5
95.04977	45.7
95.08617	44.0
97.06549	4.1
103.05487	2.3
105.04490	2.5
105.07052	40.6
107.08609	37.4
108.08902	2.2
109.06506	8.9
109.10153	19.5
115.05441	5.9
117.07044	15.8
118.07753	1.8
119.08594	47.1
121.06492	3.7
121.10136	20.0
123.08078	7.6
128.06212	8.1
129.07011	14.2
130.07785	4.0
131.08571	27.1
133.10141	23.1
135.08067	16.3
135.11681	10.9
137.09607	2.6
141.07005	8.4
142.07764	11.7
143.08568	31.1
144.09341	12.8
145.06418	2.1
145.10129	33.7
147.08052	4.9
147.11688	9.8
149.09624	4.5
149.13239	2.3
153.06999	4.7
154.07794	2.9
155.08560	12.1
156.09351	15.7
157.10139	35.2
158.10890	8.3
159.08061	7.7
159.11703	35.0
161.09700	10.0
161.10789	1.9
161.13213	10.3
165.06999	8.2
166.07811	4.5
167.08546	9.5
168.09363	9.1
169.10120	22.2
170.10901	13.3
171.08015	2.5
171.11700	31.4
172.08824	3.9
172.12430	5.3
173.09624	6.7
173.13312	9.3
175.11205	5.5
177.12817	3.0
179.08530	10.9
180.09355	9.4
181.10094	21.1
182.10918	6.8
183.11676	26.1
184.12503	4.9
185.09644	4.0
185.13268	19.1
187.11212	13.6
187.14827	15.8
189.12701	5.2
191.08568	2.6
191.14276	3.4
192.09317	6.9
193.10175	18.7
194.10962	10.9
195.11710	32.5
196.12566	9.7
197.13284	18.5
198.13982	2.7
199.11218	5.1
199.14799	5.9
201.12776	5.1
203.08582	2.3
203.14317	3.8
204.09369	1.8
205.10176	5.6
205.15907	8.5
206.10922	9.3
207.11717	26.5
208.12503	11.1
209.13284	28.2
210.13899	4.7
211.11209	4.8
211.14819	15.0
213.12772	14.5
213.16281	3.8
217.10086	2.3
217.15839	2.9
219.11699	8.1
220.12439	5.9
221.13272	22.4
222.14026	8.2
223.14798	22.5
224.11909	2.1
224.15591	4.2
225.12721	7.0
225.16362	6.3
227.14355	5.2
229.10185	2.8
229.15936	3.8
231.11751	2.6
232.12320	4.3
233.13333	10.7
234.14026	8.8
235.11128	3.0
235.14803	12.7
236.15640	6.9
237.12723	2.5
237.16441	14.7
238.17169	3.4
239.14293	3.9
239.18044	5.5
241.15923	6.1
245.13318	3.2
246.14034	2.4
247.14891	8.4
248.15620	6.2
249.12685	3.1
249.16389	14.3
251.14340	4.6
251.17955	15.6
253.15855	2.8
255.17479	4.0
258.13931	3.2
259.14868	4.7
260.15692	2.8
261.16449	4.4
263.14337	2.5
263.17963	10.0
263.33972	2.2
264.18793	5.1
265.15915	5.8
265.19559	5.2
267.17487	12.8
269.19003	7.8
273.16309	2.4
275.17920	3.5
277.15891	5.0
277.19531	5.4
279.17703	2.1
281.18997	8.5
282.19705	2.8
283.20621	3.8
284.15686	2.6
289.19519	6.0
291.17487	9.0
299.17908	4.4
305.19037	2.9
306.25073	19.3
309.18643	4.3
317.19141	3.2
319.24158	3.0
329.22552	4.1
329.51401	2.0
332.21396	2.1
347.23569	30.3
365.24774	100.0
365.31992	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	365.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01828	0.5
55.05509	1.2
57.03443	0.6
61.96693	0.6
66.60207	0.6
67.05495	2.0
69.07054	1.2
70.13883	0.4
72.08149	1.0
79.05468	1.8
81.07046	1.9
91.05479	1.9
93.07033	2.2
95.04968	1.1
95.08622	1.5
96.55680	0.5
97.02917	0.6
105.07027	1.4
107.08595	1.2
109.06505	0.6
109.10149	1.1
119.08565	1.2
121.10133	1.0
129.06937	0.6
131.08597	0.9
143.29520	0.5
145.10117	1.3
147.11755	0.9
157.10014	0.5
159.11649	0.8
161.09630	0.7
195.09975	1.0
213.09700	0.8
229.13795	0.6
231.10780	1.0
254.40010	0.6
263.12473	0.8
273.18402	0.6
291.19623	0.6
341.24219	0.5
365.23004	100.0
366.23239	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	365.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54840	0.5
55.05509	1.3
57.03452	0.7
57.47966	0.5
59.04991	1.5
67.05492	1.9
70.09251	0.6
70.55441	1.4
72.08138	0.8
78.69785	0.6
79.05479	2.1
81.07052	2.5
87.04472	0.6
91.05478	1.5
93.07063	3.0
95.04980	1.4
95.08613	2.0
97.10188	0.9
98.20702	0.6
101.08836	0.5
105.07047	1.6
107.08603	1.4
109.10134	0.6
113.06048	0.7
117.07083	0.8
119.08593	1.4
123.08145	0.7
127.31625	0.6
131.08554	1.4
135.08025	0.6
135.11630	0.8
141.07887	0.6
145.10138	1.0
147.08043	1.0
157.10152	1.0
195.05069	0.9
202.36523	0.6
216.72835	0.6
232.93619	0.6
267.14413	0.7
285.15503	1.2
291.19437	1.2
295.15057	0.8
365.23032	100.0
366.23080	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
69.99950	2.6
70.00360	1.3
72.32706	0.6
96.48603	0.7
185.02597	1.1
185.04236	24.8
203.05276	54.6
245.05043	1.1
277.23700	0.7
297.27188	0.7
365.10571	100.0
366.10965	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
60.66680	0.6
70.77930	1.4
70.78293	1.0
74.97436	0.7
87.32787	0.6
95.43237	0.6
97.45561	0.6
101.00883	1.7
113.00883	1.3
117.20322	0.7
119.01946	2.0
131.01923	1.9
137.01918	0.9
143.01921	2.3
145.03500	1.4
155.01859	1.3
161.02930	1.8
173.02986	2.5
185.02884	1.7
185.04239	22.6
203.05287	51.1
245.05092	4.7
247.06667	0.7
263.06265	1.0
287.02405	0.9
305.03696	1.0
365.10565	100.0
366.10849	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	364.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.3
55.01868	1.3
55.05515	27.8
57.03416	1.2
57.07058	1.8
60.08160	4.3
63.60026	0.6
65.03944	3.5
67.05508	64.9
69.07072	24.3
69.93898	2.8
71.04966	2.6
71.07336	0.9
73.02903	2.0
73.28698	0.7
77.03883	0.7
79.05497	41.5
81.07059	49.8
83.04972	1.4
83.08619	7.5
85.06522	2.4
86.09682	1.9
87.04483	0.8
90.90096	0.6
91.05483	15.7
92.98222	0.6
93.07049	43.6
95.04940	2.8
95.08611	34.6
97.06498	1.5
97.10139	2.3
99.04453	2.7
99.08039	0.8
105.04473	1.6
105.07043	8.6
107.08601	22.8
109.06499	2.2
109.10163	11.9
111.08069	1.0
117.07002	1.9
119.08592	6.9
121.09335	1.1
121.10147	15.8
123.08075	0.9
123.11685	3.0
131.08530	2.1
133.10130	3.3
135.11687	5.6
137.13211	0.8
145.10126	1.3
146.04990	0.7
147.11668	2.2
149.13287	4.2
157.10094	0.8
159.11702	0.9
161.13237	0.9
163.14827	1.5
163.74794	0.6
167.69244	0.6
173.13222	1.3
176.66747	0.7
305.24756	91.7
306.25177	2.1
318.43607	0.8
364.32104	100.0
365.32339	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0637
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74174	1.6
70.53207	3.3
92.06338	2.2
97.95290	1.9
119.02045	1.9
142.47427	2.0
173.02980	2.4
185.04245	21.8
203.05287	48.6
221.02930	2.8
245.05099	2.1
252.91949	3.6
262.46445	2.3
333.95422	1.8
365.06351	12.7
365.10574	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	0.4
53.03952	0.6
55.01885	0.6
55.05519	9.1
56.05042	1.5
57.05825	0.6
58.99593	0.8
60.04526	1.1
63.39224	0.3
67.05517	1.1
69.03439	1.1
69.07072	1.4
69.94630	1.8
70.06258	0.6
70.06604	6.7
71.05010	6.2
71.06923	0.4
72.08165	100.0
73.08495	0.7
74.06053	0.6
76.02244	1.6
77.25232	0.3
79.05511	1.5
81.03442	0.5
81.07077	0.7
83.04974	0.5
83.08636	1.0
84.04533	1.2
84.08151	3.7
86.00677	0.5
86.06087	0.5
86.09726	2.4
86.99090	0.5
87.89353	0.4
88.37660	0.3
89.10821	0.4
91.05507	1.3
92.05791	0.4
93.07059	0.9
95.05000	0.6
95.06097	0.5
95.08633	0.7
97.02900	0.5
97.06539	5.7
97.10201	0.6
97.67020	0.4
98.06068	0.7
98.20867	0.5
99.00824	0.4
100.07644	0.4
103.05489	0.5
105.07076	1.0
107.04980	0.9
107.08611	0.7
109.02909	1.0
110.07183	0.7
110.09734	0.7
112.11298	0.5
114.00125	0.5
115.08713	0.7
116.07092	0.5
119.08677	0.4
120.08120	11.7
121.06507	0.5
121.08465	0.5
122.02762	4.8
123.04478	0.7
125.09666	0.4
129.10292	1.4
130.05045	0.6
132.01222	0.6
133.10168	0.6
135.04466	0.6
136.06215	2.4
136.07585	0.5
145.02875	0.7
147.04446	0.6
152.01726	0.5
159.04456	0.8
161.02348	1.7
161.09680	1.1
162.05527	0.5
163.03926	4.1
164.01700	0.5
166.08653	4.5
171.07988	0.6
171.14944	33.7
172.15260	0.6
173.02342	2.8
177.99648	1.2
180.01178	0.5
189.09204	0.5
192.04860	1.0
199.14441	14.1
200.14966	0.4
202.01720	1.0
203.08211	0.5
205.99092	3.0
207.10214	0.4
208.00723	1.2
215.07054	5.6
216.01193	0.8
219.01360	0.4
219.15045	1.4
220.00639	2.1
220.04219	1.9
225.11203	2.0
227.08015	0.5
229.08914	2.6
245.09209	0.9
247.14461	0.4
248.03758	1.8
257.08517	0.6
258.02274	1.0
259.09595	2.4
263.10339	0.6
265.15518	3.4
276.03375	1.5
277.06500	2.4
277.10696	6.5
282.11612	1.4
287.10452	0.5
291.07962	0.6
300.12604	0.6
305.11478	1.6
310.24005	0.4
318.13626	0.5
323.12451	0.7
328.12234	1.4
333.10919	0.7
346.12250	19.4
347.10800	1.1
347.19809	1.2
348.18259	0.5
364.13959	2.0
364.18686	0.7
365.13809	2.2
365.20636	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	364.1329
Annotation	Glioperazine B
Peak:m/z	Relative Intensity
55.05505	1.9
69.03438	1.3
69.43266	3.6
70.06604	6.3
71.04999	28.2
72.08162	19.0
84.04474	0.6
84.08137	1.8
84.95000	0.6
86.09709	1.3
90.33937	0.6
98.06053	0.9
98.97600	1.0
108.08129	0.6
108.46873	0.6
110.09665	1.7
114.05560	0.6
116.07073	2.4
120.08097	2.2
120.47179	0.6
127.12357	0.7
129.10225	0.6
130.06558	1.2
131.07275	0.8
132.04440	1.3
136.02200	1.1
147.02626	0.6
150.00015	0.8
152.01672	1.5
153.10194	0.9
164.01640	2.4
164.05313	2.0
173.00644	0.7
174.03748	1.3
175.02177	1.1
176.10780	0.7
177.99605	5.7
178.03250	0.8
180.01154	1.9
186.05577	0.5
192.01126	2.2
192.04808	5.5
192.99484	0.6
193.01959	0.6
195.02269	0.9
197.04683	0.7
202.03238	2.4
203.01736	1.3
203.24777	0.5
204.01111	1.0
205.99100	17.3
206.02563	0.6
208.00650	5.7
219.01357	2.6
220.00676	15.2
220.04196	10.9
223.01717	1.6
230.02702	4.0
231.01093	1.7
234.02271	1.1
235.01624	0.9
247.00681	1.2
247.05312	0.7
248.03789	8.6
249.07033	1.8
250.79843	0.6
258.02243	4.6
276.03290	9.3
277.06433	10.5
290.08221	1.1
291.08173	3.3
294.04333	1.7
294.09183	0.8
301.10147	1.1
305.05969	1.1
319.11218	1.3
329.09625	1.3
346.12225	100.0
347.10361	9.8
364.13370	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	363.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
55.05521	5.3
57.03449	0.8
57.07079	6.3
60.16904	0.7
67.05511	8.1
69.07071	7.2
71.05010	1.7
71.08643	5.1
71.23083	0.7
71.51250	1.4
77.92053	0.8
79.05492	6.5
81.07065	13.4
83.04984	1.9
83.08626	2.6
85.06535	2.8
85.90990	0.8
89.06030	2.5
91.05466	3.7
93.07062	6.8
95.04992	2.0
95.08617	11.0
97.06550	2.4
97.10179	0.7
99.08105	2.1
105.07057	4.5
107.08617	5.4
109.06534	20.0
109.10168	4.4
111.08059	1.0
117.07031	1.9
119.08603	4.8
121.10161	5.3
122.07287	2.1
123.08077	39.8
123.11696	1.7
124.08422	0.8
125.06120	0.7
127.07706	0.9
129.07002	0.8
131.08623	1.0
133.08620	1.0
133.10168	5.0
135.08058	4.6
135.11674	1.4
137.09657	2.2
139.54518	0.7
145.10168	2.1
147.11723	3.2
149.09547	0.9
159.11711	1.4
161.13264	1.4
165.12788	1.3
167.14354	1.5
175.14836	1.3
179.14328	80.9
180.14569	1.2
193.16011	1.7
251.04736	0.8
256.33078	0.9
289.25085	0.9
307.22818	3.2
331.26486	5.6
345.27896	1.2
363.28998	100.0
364.29312	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	363.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47408	0.7
55.01854	1.0
55.05494	1.4
57.03444	3.0
57.07056	1.0
58.41776	0.6
67.05511	7.7
69.03391	0.6
69.07060	0.8
69.36886	2.7
69.37322	2.3
70.06598	3.1
71.05000	21.0
72.08160	6.9
79.05482	1.4
81.03391	2.6
83.04967	1.1
83.08550	0.8
84.04450	1.1
84.08105	2.4
85.02878	0.8
85.06509	2.5
86.09666	0.9
89.03902	1.9
89.10764	0.8
91.05473	1.6
95.04465	0.7
95.04966	8.3
95.08595	0.8
98.06055	0.7
105.07023	0.8
107.01781	0.5
107.04972	0.8
110.07117	0.8
110.09679	0.7
113.06014	17.9
115.08695	3.3
117.03377	3.3
119.08560	1.0
121.68655	0.6
127.97540	0.6
129.06998	0.8
131.08510	1.2
133.02850	2.0
133.10162	0.8
135.04414	4.3
136.06180	8.5
145.02863	3.8
147.04414	0.8
159.04457	5.1
161.02353	17.7
161.05907	0.9
163.03920	44.3
164.04189	0.7
173.02362	29.3
180.31569	0.7
185.05998	2.1
187.03922	2.6
187.07536	2.3
189.05362	0.7
197.06064	0.9
213.05441	1.8
215.03455	3.7
215.07037	84.2
216.07330	1.7
229.08611	3.9
245.09224	1.1
257.05417	0.6
257.08105	11.5
275.09161	100.0
276.09650	1.5
346.12247	1.7
346.16531	7.8
363.12265	1.1
363.19144	25.3
363.23566	1.6
364.19839	2.6
383.22119	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.05517	7.1
56.49861	1.4
57.07074	4.0
67.05509	8.5
69.07073	10.7
70.09151	1.5
70.14293	2.6
70.14655	5.6
71.04980	1.5
71.08633	2.9
72.58678	1.5
79.05490	6.1
81.07054	16.1
83.05041	1.7
83.08607	5.2
89.06030	8.8
91.05487	4.5
93.07056	10.8
95.04958	6.1
95.08607	14.1
97.06533	5.2
105.07046	10.6
107.08620	9.9
109.06519	11.4
109.10160	7.0
111.08048	1.7
119.08579	10.3
121.10152	7.5
122.07336	1.9
123.08076	55.6
123.11704	4.6
131.08597	3.2
133.08623	2.1
133.10156	7.9
135.08093	6.2
135.11720	3.6
137.09613	5.0
142.07739	2.1
143.08582	2.2
145.10156	5.2
147.11655	4.2
149.09555	1.7
149.13271	2.5
151.11189	1.4
157.10120	2.8
159.11705	2.9
161.09659	1.9
161.13281	2.4
177.12810	1.8
179.14348	16.2
184.00671	1.8
195.12262	1.7
197.13211	1.9
239.18126	1.5
251.04668	1.8
295.22583	1.4
303.26819	1.8
307.22705	9.4
331.26373	6.4
363.29004	100.0
364.29187	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	361.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12177	0.9
55.05509	2.3
57.06796	2.0
57.07080	38.4
69.07066	3.1
71.08636	31.7
71.24256	2.1
73.06567	2.1
78.89168	0.8
83.08630	2.7
85.10192	19.9
89.06039	100.0
97.10183	1.3
99.11747	1.5
107.07067	6.5
129.01875	1.4
130.08665	2.8
133.08615	15.5
151.09668	28.1
153.15123	1.0
156.06516	1.1
361.09760	1.3
361.14713	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	361.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.8
55.05268	5.2
55.05513	65.5
57.07063	16.1
61.60775	3.5
67.05505	51.1
67.58601	3.4
69.07069	18.0
70.90314	5.6
70.90646	6.7
79.05074	5.8
79.05495	75.6
80.01619	4.1
81.06602	6.2
81.07056	72.6
83.08618	35.4
85.10159	5.1
91.05474	28.4
91.40617	4.0
93.07045	98.3
95.04948	4.2
95.08608	60.0
97.06531	4.8
97.10181	7.0
105.07043	22.5
107.08595	71.9
109.06517	5.9
109.10159	25.2
109.53453	3.4
115.05412	3.9
117.06991	8.8
119.08585	18.2
120.12842	3.6
121.10137	64.6
123.11687	6.8
129.01866	4.9
131.08557	11.4
133.10167	18.4
135.08072	4.6
135.11702	78.0
137.09666	4.5
137.13239	5.5
145.10136	10.2
147.11668	13.3
149.09624	6.2
149.13243	45.4
159.11658	10.6
161.13257	10.3
163.14798	21.7
163.93721	3.8
181.12198	7.1
188.24272	4.0
189.91534	3.9
212.56535	4.1
213.16327	5.6
221.15239	5.1
241.19533	9.6
259.20486	18.7
277.21597	39.6
279.23004	7.3
306.99423	4.1
361.14642	8.7
361.25452	5.5
361.31052	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	28.0
59.04991	9.3
67.05500	85.6
69.07072	12.0
69.90816	5.9
70.63089	7.4
71.04987	10.8
71.38638	10.6
73.57806	7.9
79.05491	25.7
81.07071	27.8
83.08615	12.3
91.05499	15.6
93.07050	16.3
95.08599	18.6
97.06507	12.5
97.10189	19.1
105.07014	16.9
107.08595	28.4
109.10161	69.5
111.08046	7.4
119.08585	13.8
121.10164	8.6
125.09666	13.5
133.10146	8.0
135.04298	6.5
139.19533	7.5
147.11652	6.9
155.10612	51.2
162.58420	6.4
173.11755	100.0
175.60352	7.3
178.18907	7.9
189.11278	14.3
259.01797	6.8
275.20059	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28927	0.8
55.05514	1.4
56.05038	7.9
57.03431	0.9
58.06611	4.2
60.77329	0.9
69.07037	1.6
69.59170	0.8
70.06599	4.3
70.60165	0.8
70.88440	1.8
72.08159	7.0
74.06084	48.1
83.05009	0.9
84.04135	0.9
84.04521	10.6
84.08144	5.1
86.09711	100.0
87.10049	1.1
88.03949	1.1
97.44128	0.9
98.02436	0.9
101.07141	1.3
102.05534	2.1
112.11171	0.9
113.07149	1.1
119.01906	0.9
129.10248	3.4
131.08148	0.9
132.10179	1.4
136.41658	0.9
152.10632	1.2
157.13374	34.3
157.14687	1.7
159.07661	14.0
161.09221	0.9
177.08711	44.0
185.12857	15.4
187.07191	6.0
187.10663	1.1
187.14442	2.4
215.13989	1.4
230.07825	1.4
258.10803	4.4
269.99615	0.9
272.16031	7.6
286.17554	3.3
343.19739	11.7
361.21762	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	360.2133
Annotation	Leu-Leu-Asp
Peak:m/z	Relative Intensity
54.36728	0.5
54.88297	0.4
55.05508	2.1
56.05032	1.7
58.06613	0.6
69.07072	4.1
69.14091	3.2
69.14500	1.6
70.06596	4.0
72.08160	24.7
73.08463	0.7
76.78200	0.4
80.23625	0.4
83.06117	1.2
84.04513	18.4
84.06422	0.6
84.08146	4.3
85.02914	1.3
86.09711	100.0
87.04463	2.1
87.10050	1.8
87.23977	0.5
91.05524	0.6
98.06075	0.7
98.21647	0.9
101.07176	0.5
102.05552	6.5
107.88811	0.4
110.07162	1.0
112.11292	0.6
116.07111	1.0
118.08665	13.5
120.08167	1.0
123.04403	0.5
129.06601	5.2
129.10289	1.2
132.10222	4.6
137.06050	1.7
138.09157	1.1
141.06578	0.6
148.23816	0.5
152.10698	0.5
156.10246	0.8
163.03906	2.9
170.11813	2.0
181.04956	1.0
183.11348	3.3
183.13199	0.7
184.11606	1.1
191.07101	0.9
197.12877	10.6
199.18077	21.9
201.12399	3.4
208.09766	1.6
211.10921	0.9
215.13936	14.4
225.12326	3.1
227.17561	8.9
229.11865	1.0
243.13383	2.7
247.12885	4.8
296.19809	0.6
342.22177	1.0
360.14563	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2132
Annotation	Val Glu Leu
Peak:m/z	Relative Intensity
51.17570	0.5
52.37060	0.5
55.05516	10.8
56.05037	2.9
57.05813	1.0
61.01150	0.7
68.05026	0.8
68.90582	0.5
69.07080	0.6
70.06599	8.6
70.29180	1.6
70.29529	0.7
72.08162	100.0
73.08488	0.6
80.92484	0.5
84.04509	19.1
84.08150	3.8
85.02902	0.8
86.06100	0.8
86.09712	23.8
98.06060	0.5
102.05548	15.3
102.06180	1.0
104.05347	1.2
110.07183	0.6
112.03999	0.6
112.11279	0.7
116.07114	3.3
120.08147	1.6
123.04469	0.6
129.06644	1.0
129.10298	1.5
132.10217	10.0
138.09178	1.1
145.08026	1.2
156.10231	1.2
162.48227	0.5
163.03931	1.2
172.11655	0.9
173.07448	0.7
175.12144	0.6
183.11420	2.4
196.67123	0.5
197.12877	8.2
201.12354	39.4
215.13924	0.9
217.13687	1.2
220.09666	0.6
229.11852	30.8
243.10989	0.8
243.13441	14.2
261.14484	3.2
314.02957	0.5
319.43915	0.6
352.28555	0.6
360.20007	1.7
374.76288	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2132
Annotation	Asp Leu Leu
Peak:m/z	Relative Intensity
55.05537	0.5
69.07091	1.7
70.02953	1.8
70.06595	2.1
70.80929	1.5
72.08173	1.7
73.02930	4.8
74.08324	0.5
79.05527	0.6
84.08155	2.0
84.53053	0.5
85.04050	2.1
86.09715	87.4
87.10021	0.6
88.04008	9.8
96.04525	1.2
96.08128	3.4
98.02425	4.2
100.03985	4.3
107.08515	0.7
113.10760	3.0
115.05172	0.6
120.08139	1.1
122.66617	0.6
129.10284	0.7
132.10243	6.2
138.09167	6.1
141.10243	11.9
142.08665	1.4
155.11829	0.8
156.10219	13.4
166.08615	0.9
183.11307	7.8
184.09727	3.4
201.12364	100.0
202.12639	1.0
211.10860	0.7
212.09285	0.6
229.11859	17.7
245.18539	1.4
296.19833	0.7
372.72464	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.213
Annotation	Ile Ile Asp
Peak:m/z	Relative Intensity
51.71248	0.3
55.05507	0.6
56.05035	0.9
57.05817	0.5
67.59859	0.3
68.05039	0.5
69.07071	5.8
69.07430	0.6
69.47001	2.1
69.47403	0.7
70.06596	7.2
71.06950	0.4
71.21075	0.3
72.08160	6.8
73.08485	0.6
74.06087	0.4
82.06532	0.3
84.04495	1.4
84.08149	4.8
85.02908	0.8
85.08493	0.4
86.09709	100.0
87.10045	1.2
88.03995	0.4
91.03972	0.4
95.06098	0.3
98.21577	0.6
102.05514	0.5
112.08723	0.5
116.07109	1.5
117.07432	0.3
119.60576	0.3
120.08125	0.6
129.10257	2.9
130.10550	0.5
133.06071	0.4
134.04553	0.3
136.03966	0.3
157.13326	0.4
163.03918	1.4
199.18073	22.7
200.18462	0.4
227.17542	8.4
247.12907	7.2
283.21896	0.3
298.04398	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2132
Annotation	Glu-Ile-Val
Peak:m/z	Relative Intensity
55.05513	7.2
56.05035	4.9
56.36660	0.9
57.05826	1.0
58.06586	1.2
58.58166	0.9
66.40459	0.9
68.05047	1.2
69.07057	2.3
70.06594	9.0
70.10289	3.3
72.08160	100.0
73.08495	1.6
78.68578	1.0
84.04000	1.0
84.04511	41.4
84.08144	7.6
86.09711	83.5
87.10042	1.8
98.21385	1.3
102.05553	24.0
104.05351	1.1
110.09729	1.8
112.11292	1.1
116.07095	4.0
118.08662	15.7
118.09437	1.2
120.08113	1.1
123.04436	0.9
125.84288	0.9
129.06621	2.9
129.10214	2.3
130.04977	1.6
132.10216	38.6
136.06194	3.6
136.07619	1.5
138.09164	10.4
148.06084	1.7
152.10687	1.0
155.11792	2.3
156.10217	6.9
163.03969	1.4
169.13393	1.9
170.11775	1.7
183.11304	34.7
184.54677	1.0
185.16479	7.1
197.12848	8.8
201.12363	35.8
211.10809	8.7
213.16020	2.3
215.13928	13.1
217.13713	2.4
225.12347	4.8
229.11847	11.5
231.17020	3.3
243.13441	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	360.2131
Annotation	Asp Ile Leu
Peak:m/z	Relative Intensity
51.30695	0.9
55.05513	1.2
55.68716	0.9
56.37479	0.6
59.18154	0.7
66.01945	0.7
66.91534	0.8
69.07069	11.4
69.96151	3.3
70.02951	1.8
70.06598	5.7
72.08172	5.1
81.07074	1.8
84.08138	3.0
85.04035	0.9
86.09712	87.5
87.10043	1.5
88.03997	12.9
91.05470	0.9
93.07034	0.9
96.08141	5.1
98.02397	4.1
98.21425	1.0
98.97610	2.2
110.07147	2.2
110.09682	1.8
113.10781	1.8
115.05061	1.1
120.08141	1.0
129.10268	0.8
132.10175	5.5
133.06090	1.7
138.09161	2.4
141.10240	12.4
142.08623	1.7
155.11801	1.1
156.07658	1.4
156.10211	22.4
158.99605	1.0
159.80902	0.7
166.08627	1.0
183.11317	4.4
183.73448	0.8
184.09685	2.1
185.16486	1.3
201.12360	100.0
229.11861	16.5
236.09866	1.1
251.87195	0.8
270.13034	2.7
270.63385	1.0
352.74438	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36340	0.6
56.05047	1.2
57.24496	0.7
67.05501	0.6
69.07074	4.0
70.02950	1.9
70.06595	5.0
71.32423	1.4
72.08160	3.4
79.52470	0.6
84.04501	1.4
84.08142	3.0
86.09715	100.0
87.05594	1.4
87.10028	4.5
88.04005	6.0
96.08157	2.1
98.02444	1.9
105.07003	0.9
110.02394	1.0
112.11277	1.2
113.10777	1.5
115.04987	0.9
120.08128	2.2
129.10229	1.0
132.10219	11.1
133.06165	0.8
133.10562	0.6
138.09189	1.6
139.09531	0.9
141.10228	6.1
142.10602	1.4
155.11826	2.1
156.10226	5.5
156.12206	1.9
157.13461	1.7
160.36328	0.7
166.08669	2.1
183.11327	8.7
184.11674	1.3
187.10864	1.0
200.13925	5.0
201.12396	36.2
201.14336	6.4
212.09221	1.1
228.13443	0.8
229.11856	19.1
229.13782	1.7
247.12921	10.3
299.90677	0.7
326.18027	0.8
360.25681	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	3.6
56.80516	2.4
57.03446	3.0
60.04532	5.1
61.02927	8.8
67.05529	3.1
69.03432	16.4
69.07080	4.7
70.06600	7.0
70.89990	7.1
71.05003	3.6
81.03423	8.2
81.07065	5.5
84.08181	2.6
85.02914	100.0
87.04448	3.3
88.71725	2.6
91.03957	6.5
91.05469	4.0
93.07064	6.1
93.61359	2.4
95.06080	5.2
95.08592	3.1
97.02912	19.9
99.04427	4.4
105.07025	4.6
107.08591	2.7
109.02866	6.1
109.06536	6.9
119.08603	3.9
123.08044	2.9
127.03920	29.2
145.04976	55.2
159.24197	2.5
163.06030	15.8
185.53452	2.2
217.45650	2.6
342.30179	3.4
360.25323	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	359.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07240	0.5
51.02394	0.6
53.03955	5.3
53.45712	0.6
55.05515	100.0
56.05869	1.0
57.07085	1.2
60.47948	0.6
62.91496	0.5
67.05509	10.9
69.07076	4.3
71.04999	0.6
71.51335	1.0
72.15771	0.7
79.05498	16.0
81.03458	1.1
81.07059	14.6
83.04988	0.8
83.08624	57.1
91.05483	8.9
93.07049	23.7
93.07639	1.3
95.04954	1.0
95.08624	10.7
97.10207	1.0
105.07045	6.7
107.08601	16.5
109.06564	0.6
109.10171	5.3
111.08144	0.6
115.05544	0.8
117.07066	1.9
119.08596	7.4
121.10147	12.0
121.10933	1.0
123.08083	0.8
123.11761	1.4
129.07034	1.4
131.08595	3.3
133.10144	7.5
135.11691	12.2
143.08594	1.3
145.10208	2.4
147.11713	4.2
149.09624	0.6
149.13284	8.4
157.10144	1.4
159.11792	2.4
161.13248	3.7
163.14932	1.9
169.10304	0.8
171.11662	1.4
173.13264	1.4
174.62880	0.6
175.14891	1.9
177.12793	0.6
185.13344	0.8
187.14891	0.9
189.12726	0.8
199.14853	0.6
203.18044	0.9
211.14760	0.6
213.16531	0.9
221.15623	1.1
235.17027	1.1
237.53787	0.6
241.19812	0.8
243.14024	0.7
259.20630	1.6
275.20108	3.2
277.21652	20.2
289.21500	1.5
299.23834	0.8
303.23224	0.7
341.21292	0.7
341.28528	0.6
359.22440	1.5
359.29489	13.2
359.37299	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60040	0.4
53.03947	0.7
55.01864	1.1
55.05513	2.5
56.05029	2.2
57.03426	0.9
58.06622	0.5
59.12255	0.5
59.81961	0.5
60.04540	0.6
61.02924	1.3
67.05500	0.9
69.03436	2.9
69.07066	3.7
70.06258	0.7
70.06602	8.3
71.05012	0.6
71.06900	0.5
71.49554	0.7
72.08159	27.1
73.08492	1.3
74.06074	0.8
79.05489	0.8
81.03426	1.4
82.06588	0.6
83.06105	0.6
84.03705	0.5
84.04060	0.9
84.04514	13.5
84.08146	7.7
85.02914	13.6
85.04819	0.6
85.08456	0.9
86.09713	56.9
87.04471	1.2
87.10034	1.6
89.03910	4.3
91.03951	0.5
91.05467	1.3
95.04984	0.6
97.02890	3.7
98.06068	0.8
102.05541	6.8
105.07020	0.9
107.04968	2.0
109.02895	1.0
110.07145	0.7
110.09692	0.5
112.08696	0.6
112.11238	1.4
115.08671	0.5
116.07075	1.7
117.03390	6.4
118.08666	11.4
119.04930	0.7
120.08121	1.0
123.04424	1.8
127.03915	2.1
129.06604	4.3
129.10249	2.9
132.10219	3.1
133.10370	0.5
135.04436	12.6
136.07602	1.0
137.06010	1.4
138.09070	1.1
139.03897	0.9
140.10712	1.6
145.02870	11.0
145.03961	0.4
145.04915	2.4
147.04372	0.9
152.10745	0.9
156.07794	0.6
159.07831	0.7
163.03917	100.0
164.04276	0.7
170.11774	2.3
180.08740	0.8
181.04967	37.9
182.12958	0.5
183.11330	2.0
183.13205	0.8
184.11574	0.7
185.13226	0.6
185.16516	2.0
191.06995	0.9
197.12866	8.9
199.18069	6.5
201.12415	2.0
201.14236	0.5
208.09706	1.2
213.15863	0.6
215.13930	12.8
217.13605	0.6
225.12453	2.2
227.17513	2.3
229.09689	0.7
229.11754	0.5
231.17142	0.7
243.13370	2.6
247.12975	1.3
316.15125	0.6
351.16211	0.9
360.19031	0.9
362.89041	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2656
Annotation	Lys Val Leu
Peak:m/z	Relative Intensity
55.05506	2.6
56.05042	3.0
60.05632	0.5
67.05496	0.8
69.07074	0.6
70.06600	5.9
71.19276	0.9
72.08160	27.7
73.04740	0.5
76.69655	0.4
79.63970	0.4
82.06577	0.7
84.04496	1.6
84.08149	100.0
85.02934	0.4
85.06547	1.5
85.08468	0.5
85.24812	0.4
86.09711	15.4
95.06092	0.7
98.97598	0.5
101.10785	4.9
102.09202	0.5
111.09210	1.1
112.07601	0.9
112.08740	0.7
112.11281	0.7
115.08664	0.4
116.07115	0.7
127.08691	0.6
129.10249	70.3
130.05045	0.6
132.10213	0.5
138.12775	3.0
143.11824	1.2
144.95828	0.4
147.04443	0.4
148.06116	0.8
163.03899	1.0
165.13768	0.5
171.11290	1.0
175.12001	0.5
183.14944	7.6
185.16507	4.8
189.12350	0.8
191.68146	0.4
197.16524	0.9
199.18181	0.4
200.17711	0.9
206.59679	0.4
210.16049	1.7
211.14510	2.1
213.16013	2.0
228.17101	6.9
231.17062	2.4
236.04785	0.5
246.18134	0.9
261.14523	1.1
313.25739	0.5
315.33347	0.5
341.25534	0.6
342.24084	0.9
359.03152	0.6
359.26755	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2291
Annotation	Asn Ile Leu
Peak:m/z	Relative Intensity
69.07069	5.4
69.48772	3.8
70.02962	2.7
70.06602	6.7
72.04530	1.4
72.08163	2.9
74.48921	0.7
75.05597	0.7
84.01723	0.7
84.04502	1.2
84.08144	6.0
85.04052	2.1
85.22512	0.7
86.09714	100.0
87.05597	7.6
87.10053	1.3
88.04018	3.2
91.05477	0.8
95.06120	0.7
96.04488	1.0
96.08121	3.4
98.02427	6.0
99.05582	1.4
99.57002	0.6
110.02408	4.3
110.09714	1.1
112.11250	1.8
113.10751	3.3
115.05068	2.2
116.07079	0.7
119.04980	0.7
120.08091	0.7
129.10274	2.3
132.10219	6.4
137.06001	1.7
138.09145	7.3
141.10239	12.6
142.97427	0.6
143.11818	7.6
147.04443	0.8
151.47871	0.6
155.11806	14.3
163.04068	0.6
166.08617	4.0
171.11357	2.8
182.12962	1.2
183.11301	13.9
189.12407	2.6
197.57423	0.6
200.13959	60.9
201.12457	4.7
228.13466	15.0
228.15599	1.1
229.11920	2.2
243.16940	0.6
245.18646	2.7
247.12903	0.9
255.17068	1.7
265.08844	0.8
279.10123	0.7
283.16647	1.2
296.19955	0.6
300.19302	0.7
311.12939	1.0
325.17624	3.8
341.21930	2.1
345.04730	0.8
345.22147	0.7
351.92007	0.7
359.23425	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.0
56.05050	0.8
56.19296	0.4
56.96563	0.7
58.64795	0.4
59.55109	0.4
60.04533	0.6
61.07040	0.4
67.05530	0.5
69.07076	10.8
70.02951	2.1
70.06597	8.8
71.05006	0.6
71.06931	0.7
71.32098	0.3
71.41393	0.8
72.08162	5.7
73.04055	0.5
73.08491	0.4
74.02437	0.7
76.09554	0.4
77.64538	0.4
79.05498	0.4
81.07043	0.7
83.05002	0.6
84.04524	1.4
84.08155	6.9
85.02915	0.9
85.04017	2.3
86.09714	100.0
87.05601	7.9
87.10062	0.7
88.03991	2.0
91.05485	1.5
93.07055	0.6
95.04984	0.5
96.08147	4.5
97.04023	0.4
98.02429	5.3
98.06075	0.7
98.09722	0.5
102.05559	0.5
105.07047	0.8
107.08654	0.7
110.02405	3.2
110.09724	2.3
111.04450	0.5
112.08755	0.6
112.11263	1.5
113.10783	2.8
115.05061	0.8
116.07096	1.1
119.04938	1.3
120.08126	1.5
121.06557	0.4
122.47319	0.4
123.04449	0.9
124.03992	0.6
125.07095	0.4
129.10266	3.0
129.13916	0.5
130.08630	0.5
131.08583	0.5
132.10208	3.7
137.05978	2.5
138.06268	0.5
138.09123	4.2
141.10239	13.5
143.11813	1.8
147.04443	2.6
148.04759	0.8
149.02357	0.5
155.11803	14.7
161.05975	0.6
163.03952	0.8
166.08665	5.3
169.09850	0.5
171.11313	1.4
172.07521	0.5
183.11308	11.6
187.10860	1.5
189.12392	2.2
194.08131	0.8
197.11659	0.6
197.13339	0.6
200.13959	50.5
201.12370	0.8
201.14183	0.7
211.10791	3.4
212.09210	2.3
228.13474	16.7
229.11757	2.9
239.02396	0.6
245.18542	1.0
246.14511	4.0
253.09531	0.5
255.17191	1.1
279.17023	0.7
283.16626	0.7
296.19669	1.9
314.20804	1.0
325.17737	1.5
341.21951	0.6
342.20264	0.7
350.15332	0.6
359.12299	0.5
359.16370	0.5
359.23404	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.4
55.05508	1.2
56.05044	1.0
58.06603	0.7
60.04523	0.6
67.05491	0.6
69.06729	0.6
69.07076	6.6
70.02956	1.4
70.06599	9.8
71.05001	0.4
71.49874	0.5
72.07758	0.5
72.08160	7.7
79.05492	0.5
80.05010	0.4
81.07061	0.7
83.04967	0.4
84.04508	1.8
84.08147	7.9
85.02940	0.6
85.04046	1.2
85.06529	0.4
86.09713	100.0
87.05597	4.0
87.10044	1.2
88.03992	0.5
91.05498	1.5
93.07024	0.4
95.04945	0.5
96.08131	0.8
97.06583	0.4
98.02424	1.7
98.06063	0.6
98.97610	0.4
99.04491	0.5
100.07607	0.8
103.05472	0.6
105.07072	0.6
107.04963	0.4
109.06573	0.5
110.02413	3.3
110.07159	0.6
110.09695	0.9
112.08716	1.0
112.11267	1.2
113.10776	2.1
114.09173	0.6
116.07122	1.5
119.04951	0.9
120.08129	1.1
121.06516	0.4
122.03715	0.5
123.04444	1.5
124.03909	0.6
129.10226	3.8
130.04999	0.6
131.04875	0.4
131.11847	0.3
132.08113	0.9
132.10229	1.9
136.07622	0.6
137.06015	1.7
138.09157	3.0
141.10229	6.0
143.11815	6.4
147.04428	1.6
149.02319	0.6
151.03918	0.6
151.07533	0.4
152.15427	0.4
155.11813	2.6
161.06017	0.8
161.09621	0.3
162.05611	0.4
163.03958	0.7
163.07501	0.4
166.08638	5.2
169.09784	0.5
170.06032	0.6
171.11336	1.9
174.77728	0.3
175.07571	0.5
177.05444	0.5
183.11310	5.9
183.12764	0.4
187.09361	0.5
187.10768	2.4
189.12364	6.4
191.17514	0.4
194.08185	1.0
197.11783	1.2
200.13943	6.1
201.12437	1.1
204.23466	0.4
208.04289	0.4
211.10753	5.0
212.09186	4.0
222.11230	0.4
225.10341	0.5
227.11911	0.5
228.13446	12.3
228.15570	0.8
229.11826	4.4
246.14502	6.5
247.12846	0.5
253.09761	1.4
284.19818	0.7
296.19757	3.6
314.20831	0.8
316.60925	0.4
332.87561	0.4
342.20490	1.0
359.23611	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2218
Annotation	Ferruginene B
Peak:m/z	Relative Intensity
53.03946	4.5
55.01872	7.8
55.05518	16.5
57.03426	2.8
57.07075	5.2
65.03941	2.4
67.05178	1.9
67.05510	28.1
69.03142	1.3
69.03439	14.5
69.06718	1.8
69.07066	14.8
71.01328	1.5
71.04995	4.9
75.81522	1.1
77.03913	1.2
77.93944	1.0
79.05070	2.3
79.05500	32.6
81.03426	15.0
81.06595	1.8
81.07066	25.9
81.85509	1.3
83.04980	8.0
83.08607	6.8
85.02911	3.8
85.06557	1.4
85.10204	1.6
91.05487	50.5
93.06500	1.1
93.07048	29.1
95.04961	10.5
95.08616	20.1
97.02902	10.0
97.06536	4.8
98.20740	3.6
99.08122	1.3
103.05461	2.9
105.07040	45.7
107.04974	7.6
107.08610	16.1
109.02895	3.9
109.06522	4.9
109.10149	7.0
110.84710	1.2
111.04436	7.7
111.08130	1.7
113.06033	1.3
115.05475	5.2
116.06224	1.2
117.07030	21.7
119.04980	1.5
119.08588	30.4
119.09375	2.3
121.06499	5.1
121.10153	11.6
123.04444	4.4
123.08086	4.1
123.11731	1.7
125.09661	2.1
128.06207	6.8
129.07028	19.4
130.07771	2.1
131.04945	2.4
131.08575	30.2
133.06508	7.0
133.10149	27.0
135.08084	6.6
135.11740	6.8
137.05994	3.0
137.09595	3.2
141.07002	7.4
142.07765	6.3
143.08583	17.3
145.06511	5.3
145.10143	27.4
147.08066	8.7
147.11705	16.4
149.06050	2.6
149.09637	6.0
149.13272	1.7
151.07565	4.0
153.06982	3.3
154.07767	3.0
155.08557	11.6
156.09419	2.3
157.06493	3.4
157.10152	14.7
159.08098	5.5
159.11705	21.0
161.05971	2.5
161.09636	5.5
161.13303	6.9
163.07530	2.7
163.11160	2.5
165.06987	2.7
165.09131	2.9
167.08560	5.3
169.06567	1.7
169.10109	11.7
171.08076	3.8
171.11694	15.7
173.06052	2.6
173.09637	6.7
173.13290	11.4
175.07571	2.1
175.11201	5.6
175.14760	1.7
177.09160	2.8
177.12895	1.8
179.08574	3.0
181.10086	6.3
183.08038	2.0
183.11703	11.1
185.09656	6.2
185.13257	9.7
187.07542	3.0
187.11211	9.2
189.09166	3.4
189.12730	3.3
191.10663	2.3
193.10258	1.4
195.11739	4.4
196.99831	1.3
197.09633	3.4
197.11755	1.2
197.13248	8.0
199.11226	5.4
199.14908	3.1
201.09222	1.5
201.12758	6.8
201.16425	1.9
203.10684	4.2
203.14232	2.0
205.12260	2.4
207.11836	2.6
209.13269	3.6
211.11229	5.9
211.14825	3.6
213.12793	3.4
213.16409	4.7
215.10565	1.4
215.14375	3.4
215.17952	2.6
217.12299	2.1
219.13847	1.4
221.13438	1.9
225.12825	4.0
225.16402	2.3
227.14294	2.2
227.17969	2.6
229.12248	3.1
229.15895	2.7
229.19502	1.7
231.13803	2.1
231.17548	1.8
239.14403	1.6
239.17987	6.1
241.16092	1.3
243.13844	3.5
243.17505	1.6
245.15320	1.5
247.16962	1.3
249.18599	4.6
251.17897	2.0
253.15868	1.2
253.19402	1.9
255.17566	1.8
257.19022	8.3
261.14844	1.5
261.18674	1.6
263.17740	1.7
263.20221	1.7
269.18970	2.1
271.20590	3.0
273.18558	2.8
275.20105	5.0
277.19574	1.6
281.19113	3.6
285.18576	1.3
289.17966	1.6
295.20590	4.5
299.20102	6.1
305.18979	1.7
313.21646	15.3
323.20056	11.5
331.22589	2.6
341.21161	50.8
341.25259	2.8
342.21408	1.7
359.22229	100.0
359.29263	31.1
359.36600	6.0
360.22684	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	359.1704
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
55.01866	1.6
55.05514	1.8
56.05044	1.3
57.03435	2.0
61.02929	1.7
67.05502	2.4
69.03436	5.6
69.07072	12.3
69.37273	7.1
70.02953	2.0
70.06593	8.0
72.08167	6.8
79.05506	1.3
81.03407	3.1
81.07052	2.2
84.04471	1.3
84.08154	8.3
85.02911	20.5
85.04009	2.9
86.09710	91.8
87.05590	6.6
88.04003	1.3
89.75385	0.8
91.03964	1.1
91.05484	5.0
93.07053	8.0
95.04957	2.2
96.04518	0.8
96.08129	2.2
97.02917	5.2
97.06548	1.3
98.02438	3.3
99.04439	1.0
105.07039	7.1
107.08598	18.0
109.02898	2.6
109.06492	1.7
109.10168	1.9
110.02413	3.7
110.09678	1.2
112.11244	1.7
112.23214	0.9
113.10797	2.5
116.07121	1.8
119.04926	1.5
119.06034	0.8
119.08627	1.4
120.08134	1.1
121.06504	3.8
121.10155	1.1
123.04491	1.5
123.11736	1.3
127.03932	4.7
129.10272	3.7
131.08603	1.8
131.11847	0.8
132.10199	3.1
133.10146	21.8
135.11703	20.0
137.05978	1.5
137.09654	1.4
138.09146	3.8
141.10257	9.6
145.04947	3.0
151.11200	2.0
155.11771	6.6
161.09645	11.0
166.08632	6.7
179.10690	34.7
183.11295	8.7
187.10742	1.8
197.11743	100.0
198.12144	1.7
200.13960	23.5
211.10754	4.9
212.09216	5.1
228.13452	21.5
229.11766	4.3
246.14491	9.9
296.19711	3.5
314.20648	1.6
325.17099	1.0
359.23044	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	359.2217
Annotation	Ferruginene B
Peak:m/z	Relative Intensity
53.03944	2.5
53.59747	1.3
55.01881	7.6
55.05512	16.3
57.03424	4.6
57.07066	3.4
65.03931	2.6
67.05506	27.4
69.03436	15.7
69.07068	13.5
70.22253	1.7
71.01343	1.8
71.04990	4.8
74.16973	1.5
79.05498	31.2
81.03424	18.4
81.07058	33.4
83.04987	6.7
83.08638	9.3
85.02917	3.9
85.06538	2.3
91.05492	36.5
93.07057	27.2
95.04980	8.4
95.08612	20.9
97.02892	11.6
97.06528	3.0
97.10145	1.8
103.05486	1.7
105.06321	1.9
105.07029	33.2
107.04964	8.3
107.08572	13.9
109.02875	2.6
109.06530	7.7
109.10154	8.9
111.04467	7.1
111.08115	2.4
115.05457	5.1
117.07029	24.1
119.04970	2.7
119.08594	23.7
121.06499	5.5
121.10132	12.1
123.04445	7.5
123.08061	5.3
123.11719	2.2
125.05971	1.6
127.03997	2.1
128.06242	3.8
129.07019	22.1
130.07774	2.7
131.04988	1.9
131.08582	28.2
133.06520	8.9
133.10153	15.5
135.08099	7.6
135.11697	8.3
137.05992	3.3
137.09665	2.1
141.07013	9.1
142.07779	4.7
143.08574	21.7
143.09592	2.4
145.06497	9.9
145.10120	21.1
147.08018	8.2
147.11684	9.4
149.06017	3.1
149.09630	4.1
149.13266	2.7
151.07579	4.3
153.07028	3.0
154.07793	3.5
155.08582	10.3
157.06520	5.2
157.10130	15.5
158.07254	2.5
159.08072	6.0
159.11699	17.2
161.05930	1.6
161.09657	8.1
161.13281	2.8
163.07542	3.0
163.11292	2.6
165.06932	2.2
165.09077	3.1
167.08578	6.6
169.06500	1.8
169.10173	13.0
170.07307	2.1
171.08092	4.8
171.11700	15.9
173.05991	2.0
173.09586	5.0
173.13271	6.9
175.07535	6.0
175.11136	7.9
177.09135	3.0
179.08591	1.8
181.10176	5.2
183.08055	2.0
183.11720	13.5
185.09647	6.1
185.13246	10.0
187.07568	2.7
187.11235	8.7
187.14833	2.6
189.09096	2.2
189.12790	3.9
191.10689	1.9
193.08507	1.9
193.10187	3.9
195.11729	6.5
197.09572	3.1
197.13292	7.6
199.07664	1.8
199.11189	7.8
199.14874	4.6
201.09160	1.9
201.12717	4.9
201.16483	2.0
203.10608	3.1
203.14438	1.8
207.11812	2.6
209.13264	4.5
211.11211	5.2
211.14873	3.6
213.12746	6.5
213.16360	4.4
215.10797	3.4
215.14226	3.5
215.17929	3.4
217.12242	2.2
221.13295	5.0
223.14873	1.9
225.12804	4.5
225.16380	3.7
227.14272	2.3
227.17886	2.4
229.12366	3.8
229.15933	2.3
231.17432	2.1
239.14395	2.0
239.18234	2.0
243.13838	5.6
249.18546	4.3
251.17982	1.8
255.17447	2.3
257.15332	2.1
257.18936	1.7
259.17090	1.7
261.18655	1.9
264.89581	1.7
269.18951	3.7
271.16873	3.4
271.20544	3.0
273.18530	3.3
285.18427	2.8
287.20074	4.7
295.20651	4.6
299.20059	9.3
305.18903	2.6
313.21683	17.1
315.19586	2.0
317.21225	2.2
323.20154	13.5
331.22699	3.3
341.21149	55.4
359.22223	100.0
359.37149	4.1
360.22305	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	359.0463
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99863	4.4
68.98283	3.3
69.03437	3.2
69.89417	11.4
70.06589	9.0
70.99863	6.5
72.08142	7.7
77.00908	2.9
82.99850	5.5
84.08123	4.6
86.09708	7.4
101.00893	45.4
113.00846	6.3
113.48511	2.8
115.02464	16.8
119.01935	34.2
125.00928	2.7
126.98787	12.5
127.02412	7.7
129.03973	8.0
131.01884	14.2
133.03491	16.2
140.64554	2.7
143.01942	16.7
144.99864	16.5
145.03481	30.2
147.01372	9.3
147.05020	4.5
157.03516	8.5
159.01375	8.4
159.05051	11.1
161.02966	9.3
163.04515	9.5
165.02461	3.2
167.01929	7.0
168.99849	5.7
171.01434	17.6
172.99352	20.6
173.03003	8.3
173.07611	2.6
175.00890	6.4
175.04535	4.3
177.02464	3.0
177.06158	4.2
183.05017	4.1
185.02983	20.8
187.00883	7.1
187.04495	11.0
189.02460	35.3
191.00455	5.7
195.01416	7.3
199.00963	5.1
203.04025	8.3
207.03490	6.0
211.00940	3.0
213.00505	6.0
213.02472	75.6
217.01941	11.8
219.03635	5.4
225.02332	3.1
227.04045	5.5
228.92795	12.5
229.01817	2.6
231.03537	100.0
239.00400	56.7
240.00563	3.8
241.01898	3.1
243.03526	11.2
245.05226	3.5
246.92613	23.0
247.03098	4.0
248.98607	2.8
249.04593	3.2
253.01979	7.8
257.01392	17.3
261.04648	7.1
264.93570	13.3
266.99930	26.8
269.01324	16.4
271.02969	9.1
283.02936	6.4
285.00906	18.5
286.07645	3.8
287.02405	6.6
299.02484	28.9
301.04129	6.4
311.02509	8.8
317.03711	14.0
329.03525	8.1
341.03549	3.6
345.03009	7.2
359.04694	9.7
359.11185	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	358.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.2
56.05039	0.5
57.05820	0.5
67.05504	0.8
69.07075	6.6
69.75482	1.6
70.06601	2.1
70.83616	0.3
71.04991	0.3
72.08167	1.7
79.05510	0.6
81.07076	0.6
83.08596	0.3
84.04513	0.6
84.08157	1.5
86.09715	100.0
87.10059	0.5
91.05475	0.7
93.07034	0.3
95.04958	0.4
95.06120	0.3
95.08595	0.3
97.06608	0.3
98.09692	0.3
98.97588	0.4
105.07040	0.5
109.06455	0.3
114.09154	0.4
116.07125	0.3
116.10750	0.5
120.08128	0.8
129.10258	0.6
132.10217	0.5
137.05888	0.4
153.06949	0.3
158.99753	0.4
159.68997	0.3
159.70647	0.3
199.18079	31.7
201.12480	0.4
212.16629	0.3
227.17569	11.6
230.17580	0.9
234.99095	0.4
235.28282	0.4
244.15575	0.7
245.18652	3.9
314.47876	0.3
321.74698	0.3
322.20303	0.3
326.19394	0.3
340.21786	0.5
358.21793	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2705
Annotation	Ile Ile Leu
Peak:m/z	Relative Intensity
54.31549	0.2
55.93463	0.2
69.07068	3.4
70.06598	0.6
70.15910	0.7
70.16331	0.6
86.06092	0.4
86.09711	100.0
87.10045	0.9
88.26302	0.2
132.10210	1.0
185.61099	0.2
199.18073	35.1
200.18428	0.7
227.17548	11.4
227.19817	0.5
230.17474	0.6
245.18604	3.0
358.22382	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.9
56.05039	0.8
59.92590	0.4
62.88857	0.4
67.05498	1.0
68.05032	1.2
69.03433	0.8
69.07053	0.9
70.06596	26.7
71.04983	1.8
71.49903	0.7
72.08165	4.4
74.06068	1.2
79.05492	0.5
80.05019	4.1
81.03434	0.4
81.07052	0.7
82.06583	2.6
83.08620	0.6
84.04490	0.8
84.08151	4.5
85.02910	0.7
85.08476	0.6
86.09710	5.0
88.03984	0.4
89.06039	0.5
91.05522	0.5
95.06052	0.6
96.08121	1.3
97.10178	1.4
98.06047	3.1
99.04452	0.5
100.07609	1.2
104.32961	0.4
105.06987	0.4
107.08600	0.7
110.06044	2.7
110.07137	0.6
114.09132	0.5
115.03932	0.9
116.07092	1.4
117.07024	0.4
120.08080	0.9
123.04451	0.4
125.09655	0.8
126.05524	9.9
128.07094	9.5
129.10268	2.3
133.10121	0.8
142.08653	3.0
144.06570	28.2
145.06886	0.4
154.05006	3.3
160.97234	0.4
170.08287	0.7
172.06058	100.0
173.06367	1.0
179.10626	0.7
179.39346	0.4
188.09190	1.5
197.11749	1.4
198.11290	0.4
202.16121	0.4
229.11740	0.5
266.17490	0.9
294.16980	1.2
309.34891	0.4
312.18076	7.2
316.23782	0.4
321.04733	0.4
358.18552	5.3
358.22046	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13374	0.7
52.50813	0.7
55.05510	2.7
56.05039	3.1
58.06601	1.2
58.86417	0.7
68.05010	1.1
69.07074	3.6
70.06597	100.0
71.06940	1.5
71.49612	0.9
72.08160	20.0
73.08463	0.9
74.06094	1.1
79.05531	0.7
83.06101	1.6
84.04509	23.7
84.08147	15.7
85.02917	1.7
85.08471	1.5
86.09710	48.6
87.05599	1.0
88.03989	1.6
89.06044	1.2
95.06104	1.4
96.04461	1.0
98.06065	0.9
98.63118	0.8
101.07095	1.1
102.05553	11.4
103.03951	1.0
110.07169	2.2
112.08730	1.4
112.11263	2.8
113.07146	1.2
115.08676	1.0
116.07101	76.2
117.07416	1.5
120.08128	0.9
123.04434	1.5
126.51834	1.0
128.07170	0.7
129.06630	3.9
129.10254	6.5
129.13901	1.2
130.05054	1.3
130.13872	0.7
132.10229	5.1
133.08652	1.0
135.04439	0.8
136.07605	1.3
141.06584	1.7
144.85056	0.8
155.11813	1.1
163.03925	1.6
170.11797	3.5
172.06137	1.5
182.12927	1.7
183.11267	1.8
183.14893	0.9
197.12875	10.6
199.10742	8.1
200.13982	1.2
200.33919	0.8
215.13927	22.2
215.15974	1.4
217.61560	0.8
225.12360	3.5
227.10263	9.7
243.13402	10.3
245.11267	1.5
250.86926	0.8
253.02156	0.9
261.14484	1.5
288.66553	0.8
314.61917	1.4
316.30511	0.8
350.15543	2.5
358.16165	0.8
358.19986	5.8
358.66824	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2791
Annotation	Neogrifolin dimethyl ether
Peak:m/z	Relative Intensity
51.02382	0.8
53.03955	4.5
55.05515	100.0
57.07081	1.3
59.05006	0.7
60.49194	0.7
63.50381	0.7
65.03951	0.9
67.05516	8.5
69.03413	1.0
69.07072	5.2
70.06609	1.3
71.05009	1.8
71.06930	0.8
71.51476	1.2
79.05494	9.2
81.07062	11.1
83.05009	1.0
83.08622	49.8
84.08952	0.8
85.06567	0.7
87.04473	0.9
88.07638	1.8
91.05486	27.3
93.07044	9.2
95.04984	1.1
95.08611	7.4
97.10184	1.7
103.05492	1.1
105.07039	24.3
106.08713	0.8
107.08614	5.7
109.06557	0.7
109.10191	4.7
111.08096	1.2
117.07021	8.1
119.08586	21.6
121.10136	4.2
129.07040	2.3
130.07794	0.8
131.08563	13.8
133.10139	15.2
133.11104	1.1
135.11705	2.9
136.83876	0.6
141.06989	0.9
143.08601	2.9
145.10133	12.9
147.07988	0.7
147.11674	7.8
149.09634	1.0
151.11136	0.9
157.10091	4.2
159.11708	12.1
160.12289	0.7
161.13260	3.6
164.44202	0.6
169.10164	1.7
171.11707	4.0
173.13293	6.4
175.11382	0.8
181.10165	1.0
183.11806	1.3
185.13333	2.0
187.14882	2.2
192.10735	0.7
193.10214	0.9
197.13356	0.9
201.12746	0.8
201.16447	2.2
203.14246	0.8
211.14874	0.9
215.18021	1.0
221.15517	0.9
239.18068	2.4
257.18997	5.2
273.18680	1.4
274.19272	0.9
275.20087	17.9
287.20041	1.7
339.26843	2.0
351.60568	0.8
354.52347	0.8
357.27930	48.8
357.35583	7.3
358.28247	1.9
358.36826	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1335
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
50.91811	1.6
51.84403	1.5
53.70739	1.3
55.01875	16.4
55.05509	1.8
65.03931	4.1
66.04720	2.4
66.69810	1.5
67.05508	3.2
69.03424	2.9
69.07066	2.2
70.06598	8.5
70.55617	4.3
71.04985	1.8
71.23077	1.3
72.08160	10.7
79.05498	5.3
81.07048	4.9
84.08147	6.6
85.06543	1.7
86.09714	13.4
91.05482	9.1
93.03413	4.2
94.04192	6.3
95.05011	3.5
95.08609	2.1
102.76306	1.6
103.05451	7.5
105.07015	3.6
107.04975	4.4
109.06504	6.7
109.10155	1.8
110.09665	1.4
111.04463	5.5
112.46062	1.3
115.05465	6.2
116.07090	3.5
117.03386	4.3
119.04932	1.6
121.06489	4.2
122.03648	14.7
123.04420	2.3
125.05992	5.5
130.04170	2.2
131.04900	8.7
133.02843	1.9
133.06483	3.3
134.03720	2.0
136.07578	1.7
137.05989	100.0
143.04916	6.5
144.05734	2.1
145.02846	2.7
146.03639	5.8
147.04475	4.5
149.06007	3.0
151.03918	3.5
153.05478	5.7
153.07098	1.9
155.04932	5.8
159.07999	2.3
160.05222	4.6
161.06010	23.0
162.06755	3.5
163.03955	2.4
165.05548	31.1
165.06979	5.8
171.04462	3.4
172.05205	2.3
175.07527	8.1
177.05507	12.1
177.06824	2.4
178.07846	3.7
179.08562	5.5
181.06520	3.5
183.04410	2.7
184.05290	1.5
185.06076	3.1
187.07625	6.4
189.05612	1.6
189.06989	8.3
190.07791	12.4
191.08551	13.0
195.08125	2.5
199.18112	3.7
201.06964	2.8
202.07861	4.6
203.07033	8.3
203.08694	2.9
205.06493	5.7
206.07341	5.0
207.08037	13.2
208.08849	5.8
215.06944	10.1
217.06447	6.1
218.07277	22.6
219.08072	28.3
220.08771	2.3
221.05966	6.6
221.09676	2.3
223.07382	2.8
224.08276	1.9
225.09238	2.0
229.06506	6.9
231.08017	3.9
233.06000	3.3
233.09662	3.4
234.06708	9.4
235.07581	16.0
236.08231	11.2
237.09167	2.8
241.08554	1.9
245.05931	3.3
246.06793	21.5
247.07579	29.2
248.08287	5.4
249.05475	3.5
249.09117	11.0
250.10027	2.8
251.07021	4.4
251.10690	3.9
252.07773	3.0
253.08723	4.7
257.05948	7.5
258.06696	2.7
259.07446	3.7
261.09119	30.8
262.06400	7.4
262.08929	1.9
263.07059	19.6
264.07852	12.5
265.08554	6.3
267.10132	4.7
269.08029	9.4
274.06235	15.1
275.07037	13.6
276.07858	3.0
277.08624	19.3
278.09296	9.1
279.06992	2.7
279.10144	19.5
280.10818	1.9
281.08017	2.6
283.09058	1.9
284.10400	2.1
286.10712	2.1
289.08627	41.4
290.09375	7.3
291.06720	7.8
291.09528	1.9
292.07318	5.9
293.08209	3.6
293.11481	1.7
294.08844	6.6
295.09647	6.0
306.08813	8.1
307.09656	68.6
308.10132	3.7
309.07785	3.2
309.11234	15.5
311.12714	2.4
321.11243	47.8
324.10056	2.4
327.12299	20.7
339.12292	33.6
357.13162	5.4
357.18140	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	356.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01876	1.0
55.05507	1.7
55.45072	0.5
56.05033	2.0
57.03448	0.8
57.07084	4.5
57.59105	0.5
65.03933	0.8
67.05510	8.1
68.05040	1.2
69.03428	1.1
69.07056	1.6
70.02953	1.0
70.06606	0.8
70.78648	1.2
71.05000	1.3
71.08642	7.2
79.05499	2.1
80.05016	2.4
81.03426	1.5
81.07061	4.5
82.06590	6.6
83.04967	1.2
83.08617	0.8
84.04514	2.9
84.08148	0.6
85.06513	0.5
85.10178	4.1
91.05480	1.0
93.07049	1.3
94.06583	1.1
95.04980	7.4
95.08620	6.0
96.04518	0.8
97.02903	2.2
97.06532	0.5
98.06083	1.4
99.04469	4.7
106.06569	2.1
107.08546	0.6
109.10129	1.0
110.06016	0.9
111.04461	0.5
112.03942	0.9
113.05988	0.6
118.06641	0.5
120.08115	2.8
121.06541	0.5
121.10121	0.6
122.06028	1.8
123.04457	3.5
124.07584	1.5
126.05471	0.7
130.06567	0.6
134.06075	0.9
138.09164	1.8
141.05528	1.0
142.08618	0.7
144.06570	1.7
148.07585	2.6
150.05496	1.5
155.14285	1.4
158.08182	0.6
164.07227	0.5
166.08658	9.5
168.06613	0.7
180.17593	0.7
184.09668	2.1
186.07588	0.6
198.18552	24.0
202.10791	0.9
206.18973	0.6
224.20116	1.8
260.20151	1.4
274.18488	0.6
274.21704	1.9
278.21164	1.8
291.78705	0.5
302.21216	2.0
320.22284	5.7
338.23318	7.6
341.12781	0.5
356.24335	100.0
357.24838	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	356.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.4
55.63397	1.1
56.05032	3.8
57.03436	2.5
59.04996	6.6
62.98127	1.2
63.20190	1.3
67.05499	2.3
69.03410	3.1
69.07053	3.3
70.06601	16.2
71.49693	2.2
72.08158	11.3
74.16231	1.3
74.94079	1.3
75.92467	1.4
79.05494	1.8
80.95518	1.2
81.07067	3.0
83.06094	3.8
84.04514	6.8
84.08144	11.2
85.02904	4.1
86.09710	24.6
87.04474	19.2
88.04025	1.9
89.06040	13.8
91.05483	2.0
95.05016	1.9
95.06106	3.2
95.08599	9.5
97.02892	1.5
98.06048	1.4
103.03949	100.0
103.07578	3.5
105.07016	1.5
110.07173	4.2
112.11254	1.6
113.06013	11.1
113.07159	1.3
113.09637	12.2
119.04977	2.0
120.08102	2.9
121.08600	2.5
122.02749	2.6
123.08064	2.3
128.07140	1.4
129.10243	4.4
130.04982	1.6
131.07062	4.1
131.10689	15.7
132.10185	2.8
133.08603	6.4
137.06096	1.2
137.09671	1.5
147.04420	6.5
147.06531	12.5
163.03955	2.0
163.09697	1.9
177.11234	5.9
189.68449	1.3
191.09120	3.4
193.05031	8.8
194.05319	11.3
197.12907	2.9
207.12271	6.6
215.13969	1.8
219.12209	2.2
221.08073	3.2
235.11769	12.1
243.13298	1.5
263.14886	6.4
290.10806	1.3
293.15936	2.0
321.15915	2.1
356.07144	1.4
356.15308	1.7
356.21640	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	355.2845
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03939	3.6
55.05513	33.0
57.03440	10.7
57.07087	12.4
65.03921	2.8
67.05511	78.4
69.07073	49.0
70.06569	3.0
70.19489	8.7
71.05003	3.1
71.08625	4.9
79.05505	28.0
81.03415	2.6
81.07063	100.0
83.08621	32.8
85.06548	4.0
87.15049	2.2
88.07621	3.4
91.05463	23.4
93.06574	2.6
93.07054	29.2
95.04953	2.3
95.08614	83.9
95.99323	2.2
97.06523	9.4
97.10159	19.7
99.08051	5.4
100.99171	2.3
103.03913	2.6
103.99485	2.3
105.07035	16.8
107.08604	22.5
109.10167	40.2
111.08067	3.8
111.11717	6.4
111.73045	2.1
119.08583	16.4
121.10146	30.5
123.11736	22.4
125.13246	2.6
129.05493	3.1
133.10126	14.9
135.11707	18.5
137.13235	8.0
139.11201	3.4
147.11746	15.7
149.13283	14.1
151.14838	6.6
161.13304	13.8
163.14835	13.4
164.66312	2.7
165.16368	6.1
174.29840	2.1
175.14824	10.7
177.16469	2.7
179.17894	3.9
189.16379	6.4
203.18005	2.7
239.98535	2.6
245.22688	47.9
263.23721	44.8
264.24020	2.8
289.54562	2.5
337.27402	31.6
355.24127	10.4
355.28439	11.9
355.33853	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	36.4
57.03446	5.2
57.07080	16.4
67.05510	80.7
69.06722	4.7
69.07070	43.2
70.20224	11.0
71.08642	6.7
73.04753	4.3
79.05500	27.5
81.07063	100.0
83.04977	3.9
83.08624	33.7
85.06541	3.1
91.05459	21.4
93.07056	37.7
95.08617	80.3
97.06540	14.5
97.10179	20.9
97.50841	2.7
99.08109	4.9
105.07043	16.5
107.08589	27.8
109.10161	45.3
111.08089	8.5
111.11729	7.4
119.08577	14.4
121.10146	39.4
123.11701	22.6
125.09634	3.7
125.13301	4.0
133.10149	24.4
135.11703	19.7
137.13269	9.9
139.11130	3.1
146.87123	3.2
147.11713	12.6
149.13283	16.8
151.14847	11.0
161.13223	18.4
163.14868	16.2
165.12788	2.9
165.16434	6.2
167.14334	4.6
175.14824	11.6
179.17870	3.0
189.16360	7.0
234.60037	2.5
245.22676	50.7
263.23691	58.2
265.76001	3.1
268.37595	2.9
337.27460	32.0
355.28177	29.1
367.84882	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	355.2845
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03937	3.5
55.01883	3.9
55.05516	33.0
57.03429	9.4
57.07077	16.3
59.93304	2.7
65.03960	2.8
67.05511	83.0
69.07072	47.1
70.06586	2.7
70.19801	10.1
71.04967	3.9
71.08633	5.6
79.05508	32.5
81.03449	5.2
81.07063	100.0
83.04942	3.2
83.08627	27.9
85.06549	4.4
88.07580	3.6
91.05470	21.3
92.98735	2.7
93.07048	38.9
94.76511	2.9
95.04954	2.9
95.08611	82.8
97.06526	10.1
97.10169	24.8
99.08085	4.2
105.07047	19.4
107.08603	27.8
109.09462	4.1
109.10166	43.1
111.08057	3.9
111.11722	6.8
119.08609	19.2
121.10154	38.2
123.11697	22.4
133.10152	18.0
135.11691	19.8
137.09644	2.9
137.13228	7.0
141.12767	2.9
147.11691	15.2
149.13292	17.7
151.14798	5.6
161.13206	11.5
163.14857	11.4
165.16422	5.5
175.14897	11.9
177.16383	3.1
189.16368	4.2
217.19502	3.3
245.22649	48.1
261.69119	2.6
263.23764	48.9
337.27371	29.4
355.28482	10.6
356.35190	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2844
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03933	2.2
55.01881	4.5
55.05271	2.4
55.05516	33.7
57.03443	9.4
57.07084	13.7
62.70644	1.8
67.05510	74.5
69.07072	43.6
70.20226	7.1
71.04991	2.6
71.08626	5.5
79.05492	28.1
81.07060	100.0
83.05007	2.6
83.08167	2.1
83.08627	31.1
85.06522	4.5
85.10193	3.2
91.05484	23.1
93.07060	31.6
95.08614	91.7
97.06541	10.2
97.10172	19.9
103.03973	1.9
105.07043	15.4
106.18073	1.6
107.08597	18.4
109.10161	43.5
111.08087	3.6
111.11720	6.7
113.09623	2.1
116.25641	1.9
119.08581	17.3
121.10155	29.2
123.11706	21.2
125.09648	3.5
125.13282	2.9
129.05489	4.3
133.10146	21.4
133.67761	1.9
135.11726	16.8
137.09590	3.4
137.13271	10.3
147.11722	14.4
149.13258	16.0
151.11130	2.4
151.14833	7.5
161.13292	14.5
163.13817	1.6
163.14888	15.8
165.16467	8.9
167.14406	2.4
175.14845	15.5
177.16350	2.1
178.15361	1.7
179.14302	2.7
179.17957	5.0
181.11623	1.6
181.15973	2.6
184.20799	2.1
189.16394	4.2
203.17870	1.9
207.17387	2.3
215.93562	1.9
217.19533	1.7
224.85300	1.9
225.94411	1.8
245.22653	48.9
263.23718	54.2
265.25342	3.7
285.35867	2.2
337.27429	32.0
355.28375	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	355.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	10.3
56.81285	3.8
57.03436	5.8
65.89280	3.7
67.05498	14.2
67.35620	3.6
69.03435	10.4
69.07064	9.4
71.05013	5.5
79.05505	14.1
81.03421	6.4
81.07067	29.8
83.04977	4.9
85.02910	17.2
85.06561	4.7
91.05491	16.1
91.06717	3.8
93.07053	32.6
95.04993	5.1
95.08620	25.2
97.02889	9.0
105.07058	33.9
107.08605	34.1
109.06500	4.1
109.10202	8.8
111.08108	4.5
117.07034	6.5
119.08599	47.0
121.10153	12.3
122.85744	4.1
123.08052	4.7
131.08598	13.2
133.10135	32.6
135.11690	31.6
143.08574	4.1
145.10124	8.6
147.11688	14.1
155.08582	6.2
159.11748	9.1
161.13350	4.1
163.03885	4.0
173.13260	3.7
175.14838	100.0
177.16345	3.8
193.15964	14.3
219.27420	3.9
222.66612	3.6
233.85905	4.2
319.19247	6.7
337.20160	6.6
355.07373	4.2
355.15500	5.2
355.21127	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44022	3.2
55.05501	9.2
62.88397	3.2
67.05494	12.6
69.03428	6.6
69.07079	7.7
71.04996	5.7
71.50365	3.7
76.74352	3.5
79.05482	11.7
81.03392	6.8
81.07060	27.0
83.08597	3.2
85.02914	16.7
85.06541	4.2
87.04437	3.2
91.05448	16.2
93.07050	27.4
95.04966	3.9
95.08593	20.2
97.02872	4.5
97.06524	7.8
98.40977	3.1
105.07040	28.2
107.08598	26.0
109.02901	3.6
109.06518	6.1
109.10172	7.1
111.08044	3.3
119.08593	40.3
121.10160	11.9
123.08001	4.5
123.11700	3.0
131.08568	12.8
133.10138	30.2
135.11690	28.5
137.09608	5.1
143.08521	5.9
145.10071	4.9
147.08017	3.6
147.11713	12.4
149.09633	3.3
155.08519	4.9
159.11728	4.9
161.13266	4.0
169.10187	3.4
173.13255	5.3
175.14841	100.0
193.15941	11.1
262.23642	3.2
262.50708	3.7
276.54974	3.1
282.11340	4.6
355.15436	4.1
355.21597	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	355.1029
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
55.05491	1.1
56.05040	2.4
58.06591	0.6
59.05004	0.7
60.04519	1.4
63.28042	0.5
66.98934	0.5
67.05502	0.8
67.93832	0.5
69.07065	1.3
69.47251	2.1
69.47664	1.1
70.02957	1.0
70.06596	6.0
71.06947	0.7
72.08159	5.8
73.04751	2.0
74.06083	0.7
79.05534	0.6
82.06602	0.7
84.04491	1.8
84.08150	40.3
85.08466	1.8
86.09220	0.9
86.09710	12.1
88.03981	1.6
89.03902	0.7
91.05423	4.5
93.07037	0.9
95.04949	0.7
95.06091	0.7
97.02898	0.8
98.02377	0.5
98.06042	0.7
98.09675	0.7
98.20821	1.1
99.05612	0.5
101.10784	1.2
103.05470	2.3
105.03408	0.8
106.26210	0.6
107.04990	0.8
110.07121	1.2
111.09169	1.0
112.07637	0.5
112.08714	0.7
112.11255	1.2
115.08649	0.9
116.07105	0.9
119.04945	1.7
120.08115	15.1
121.08474	0.8
122.03657	1.6
129.10245	15.5
130.08627	1.9
130.10526	0.6
133.02864	19.8
136.06084	0.6
136.07587	9.5
137.05977	5.2
137.07837	0.6
139.08690	1.3
141.10316	0.9
147.11305	0.7
149.05978	1.4
150.03154	1.2
152.14389	0.6
162.03169	0.7
163.03911	1.3
165.05507	2.4
178.02632	9.0
193.04979	100.0
194.05309	1.6
197.16443	0.7
200.13963	0.9
201.12440	0.9
201.26920	0.5
209.09155	1.4
226.11835	0.6
242.18687	0.7
250.09486	0.6
267.07504	0.6
268.97861	0.6
273.61789	0.5
275.20786	0.6
285.00974	1.0
295.17300	1.0
296.10358	0.6
337.25732	0.8
349.15234	0.5
355.07941	4.0
355.13568	1.8
355.27252	0.9
356.07242	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3368
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
50.89924	0.5
53.03938	0.6
55.05511	9.6
56.05034	1.5
57.05812	1.4
57.07077	13.0
58.02958	1.6
58.06603	17.7
60.04527	2.9
67.05507	7.4
69.07071	17.8
70.02962	3.2
70.06598	7.4
70.80801	0.8
71.04989	2.0
71.08632	7.5
72.04515	2.3
72.08152	0.8
74.06075	2.4
79.05500	1.8
81.06593	0.8
81.07058	12.8
82.06593	2.7
83.04990	0.9
83.08154	0.8
83.08624	11.4
84.04516	0.9
84.08155	6.3
85.06547	0.9
85.10191	3.3
86.06068	5.5
87.06852	1.4
88.03994	0.6
88.07634	0.6
91.05494	0.6
93.07050	2.0
94.06605	1.0
95.08611	16.6
96.08130	0.6
97.06537	1.3
97.10174	9.3
98.06104	0.7
98.09689	1.7
105.07014	1.0
105.39262	0.5
107.08588	1.6
108.08131	1.0
109.06532	0.9
109.10157	6.8
110.09706	0.7
111.11743	4.4
112.07610	1.2
112.11235	0.9
114.09133	0.5
115.95324	0.4
119.08575	0.9
121.10134	1.1
123.08146	1.0
123.11707	4.6
125.13239	1.1
126.09162	0.7
129.21147	0.4
135.11708	0.8
137.13234	1.2
147.11638	0.4
149.13275	0.6
161.13280	0.4
198.22067	0.5
268.30099	1.3
294.31717	3.3
306.31552	3.0
307.30093	2.9
308.33075	3.4
318.31732	0.8
319.55438	0.5
324.32410	0.9
326.34137	5.6
336.32623	15.5
337.30798	1.0
354.33676	100.0
355.34134	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	354.1911
Annotation	Platyphylline N-oxide
Peak:m/z	Relative Intensity
53.03949	2.1
55.01873	3.0
55.05525	1.7
67.05503	2.6
69.07070	12.5
70.06574	1.3
70.62664	1.3
70.62998	2.5
72.08152	1.9
78.51031	1.2
79.05487	4.7
81.03417	4.1
81.07028	1.5
83.04996	3.7
84.08153	3.1
86.09711	100.0
91.05487	14.8
93.07043	9.7
95.04975	3.2
98.06062	4.4
100.11279	1.9
105.07031	5.0
107.04961	3.6
107.08589	5.7
109.02871	5.6
109.06509	2.0
115.05447	1.4
115.70187	1.3
117.07028	29.2
119.08620	6.5
121.06522	2.2
121.10100	1.3
123.04447	7.5
128.10727	8.5
131.08571	12.9
132.10233	7.6
133.06497	2.5
133.10124	3.1
135.08067	27.7
135.09023	2.3
135.11684	2.0
145.06508	3.5
147.50479	1.0
149.09595	3.8
156.10226	3.2
158.08153	1.6
159.08066	15.2
161.09694	1.7
163.07559	18.4
167.01158	1.1
176.10713	1.8
177.09119	11.7
181.08595	10.2
187.07550	10.1
205.08606	61.0
222.11328	1.8
244.17104	1.8
246.18759	1.4
262.17966	2.3
272.16385	2.5
290.17523	53.8
291.18051	1.2
308.18552	28.3
318.16956	1.5
323.09146	1.2
323.12958	1.1
336.18231	2.6
354.22784	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	354.1186
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
55.05502	0.5
56.05018	0.8
58.06577	0.3
60.04499	0.6
63.55892	0.3
68.05029	0.3
69.03431	0.3
69.07060	0.4
70.02939	0.4
70.06593	3.2
71.04981	0.4
71.49332	0.4
72.08160	5.5
73.04748	0.3
74.06065	0.5
81.03383	0.3
84.04509	1.4
84.08149	4.8
85.02915	0.4
85.08479	0.5
86.09705	1.7
88.03982	0.3
95.05028	0.4
95.06086	0.9
97.02887	0.5
98.06080	0.3
100.07642	0.2
102.05550	0.3
103.05469	0.3
110.07178	1.5
112.07589	0.3
112.08729	0.7
112.11259	0.3
113.06006	1.0
115.07545	0.4
116.07063	0.3
120.08086	1.4
121.08453	0.4
123.04411	0.4
129.10249	2.4
129.54800	0.2
130.10588	0.3
136.07535	0.4
137.05989	0.5
143.11777	0.6
146.05989	0.4
149.04816	0.3
156.07704	0.3
162.05542	0.6
163.03908	0.4
173.12868	0.2
174.05496	0.5
175.09735	0.3
177.04216	52.0
178.04523	0.3
192.06560	100.0
193.06897	1.1
342.35840	0.3
354.11975	0.7
354.19220	1.3
355.07281	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.269
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
52.74884	1.6
53.03938	4.8
54.67002	1.6
55.01873	2.5
55.05507	20.3
57.03428	7.2
57.07073	5.0
61.02921	3.5
64.77142	1.8
65.03934	2.6
67.05509	98.1
69.03418	7.3
69.07082	18.0
70.06595	2.4
71.04988	2.4
71.08617	4.3
71.50340	2.6
72.08139	2.9
74.31941	1.7
75.04493	1.7
79.05498	49.8
81.03420	19.6
81.07062	100.0
83.08627	11.0
85.02897	3.1
85.06551	3.9
91.05479	27.5
93.06490	3.4
93.07050	60.3
95.04970	6.9
95.08614	75.4
97.02898	3.7
97.06526	5.5
97.10168	5.3
99.04507	2.6
99.08136	4.1
100.11231	2.3
105.07034	21.0
107.04946	4.1
107.08597	45.5
109.02875	5.3
109.06500	3.1
109.10158	37.8
111.08083	4.0
117.07020	10.4
119.08600	20.1
121.06452	2.2
121.10149	31.0
123.08061	4.4
123.11713	20.6
125.09598	2.9
125.52753	2.0
127.03925	8.1
129.06947	1.8
131.08563	22.1
133.10138	12.5
135.08101	1.9
135.11705	30.5
137.09621	2.2
137.13257	7.1
142.36357	1.8
143.08519	2.6
144.08125	3.4
145.10132	23.4
147.11694	12.2
149.13284	20.9
151.11174	3.0
151.14836	2.4
157.10188	3.2
159.11705	13.5
161.09550	2.7
161.13243	7.5
163.11182	11.3
163.14818	11.0
164.98517	1.7
171.11693	3.4
173.13289	17.2
175.14841	2.9
177.12915	2.1
177.16440	4.5
181.12198	3.8
187.14799	8.9
197.13184	2.5
201.16521	3.0
205.15860	2.4
210.18559	1.8
215.14432	2.3
215.17928	2.1
219.17514	2.2
227.12811	24.2
233.22519	2.8
243.21146	17.6
261.22156	82.6
274.21933	2.0
276.23251	2.3
279.23120	5.3
293.22903	1.7
294.24338	5.9
309.26071	1.8
335.26154	9.1
337.36041	1.7
353.27280	16.9
375.59390	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.5
53.81047	1.2
55.05517	15.8
57.03453	6.1
57.07083	5.5
65.03943	2.5
67.05511	99.3
69.03430	1.5
69.07074	15.9
69.32480	9.8
71.04993	3.4
71.08600	1.3
73.38538	1.2
79.05500	53.4
80.91092	1.0
81.07063	100.0
83.05009	1.2
83.08625	8.5
85.06580	2.6
87.52934	1.1
91.05488	29.2
93.07053	67.0
95.04968	2.9
95.08614	71.1
97.06521	3.5
97.10180	4.2
99.08116	3.2
105.07034	19.9
107.08597	38.1
109.06552	2.6
109.10167	36.9
111.08102	2.0
117.07016	9.9
119.08589	14.5
121.10156	35.2
123.11720	20.9
125.09592	2.3
127.11221	1.2
129.64484	1.2
131.08574	23.9
133.10144	17.1
135.11703	27.3
137.09601	2.0
137.13277	7.9
139.39392	1.1
144.08124	2.5
145.10132	17.5
147.11707	12.8
149.09628	1.4
149.13268	21.7
151.11150	1.2
151.14766	2.2
153.12766	2.6
154.10092	1.2
159.11705	15.0
161.13271	9.4
163.11208	1.5
163.14842	14.1
165.12730	1.6
173.13278	14.1
175.14833	3.5
177.12799	1.4
177.16391	3.5
187.14862	9.0
191.14442	1.4
201.16406	3.3
205.15898	1.4
219.17561	1.2
233.22681	3.9
243.21082	21.1
261.22156	91.7
262.22409	1.4
263.23883	1.2
279.23184	3.7
315.41403	1.3
335.25864	8.3
353.26880	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2689
Annotation	9,11-methane-epoxy PGF1alpha
Peak:m/z	Relative Intensity
53.03945	2.0
55.01892	1.7
55.05513	14.5
56.29686	1.0
57.03432	6.6
57.07071	4.1
65.03938	2.6
66.04739	1.0
67.05509	97.5
69.07072	14.8
70.14420	2.7
70.14814	2.5
70.95660	1.2
71.04994	3.8
71.08628	2.3
75.04505	1.3
79.05501	39.9
81.03423	1.3
81.07063	100.0
83.04965	2.2
83.08617	6.7
85.06538	2.5
91.05488	20.1
93.07048	59.7
95.04980	1.9
95.08614	76.2
97.06525	4.3
97.10157	3.1
99.08138	1.8
105.07038	17.0
107.08607	34.3
109.06577	2.3
109.10166	42.3
111.08130	2.1
111.28905	1.1
113.09717	1.9
117.07029	8.7
119.08596	12.5
121.10157	32.0
123.08046	1.4
123.11724	24.6
131.08583	19.5
133.10141	12.2
135.11700	28.7
137.09642	1.7
137.13252	8.3
139.11134	1.6
143.95746	1.1
144.08084	2.6
145.10144	15.8
147.11674	9.8
149.13257	18.9
151.11122	1.5
151.14853	2.7
159.11690	17.0
159.32735	1.1
161.13245	11.2
163.11208	1.5
163.14832	12.0
173.13271	16.4
175.14828	3.2
177.16414	3.2
187.14822	8.4
189.16255	1.3
201.16403	2.8
205.15874	1.6
219.17476	1.4
233.22665	4.4
243.21118	21.0
261.22153	88.6
262.22400	1.4
279.23151	7.8
317.24783	1.5
319.08368	1.2
335.25833	11.6
353.26871	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	353.2687
Annotation	9,11-methane-epoxy PGF1alpha
Peak:m/z	Relative Intensity
55.01854	2.3
55.05510	14.4
57.07069	4.6
67.05505	16.3
69.03406	4.9
69.07067	22.8
71.04985	3.1
71.08634	21.9
71.29960	5.0
79.05504	12.4
81.07060	31.9
83.08614	7.0
85.06521	2.9
86.80882	3.0
91.05471	7.9
93.07047	17.6
95.04961	9.8
95.08615	26.9
97.06531	6.2
99.08106	15.4
105.07036	11.2
107.08625	15.7
109.06525	24.6
109.10136	8.0
110.80876	2.1
117.07059	2.5
119.08619	13.4
121.06503	7.0
121.10123	8.6
123.08096	2.7
123.11684	4.0
131.08563	4.7
133.10074	6.4
135.08095	6.4
135.11725	5.2
137.09627	2.6
139.11143	2.9
141.09114	3.3
145.10109	3.7
147.11696	5.5
149.13266	3.5
151.11244	2.7
159.11754	4.9
161.13284	4.3
163.11127	3.4
165.12749	43.9
171.11795	2.4
173.13344	2.8
175.14879	4.4
177.12772	5.6
209.18968	13.4
237.18436	4.3
276.92139	2.2
279.19717	3.6
279.26633	2.7
279.45007	2.2
289.25299	28.0
307.26358	3.0
317.24789	68.5
335.25818	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
54.02577	0.9
55.01849	1.5
55.05515	13.2
57.03448	4.6
57.07079	5.0
65.03939	2.9
65.49307	0.9
67.05509	94.7
69.07074	12.8
69.76817	0.9
70.75670	2.2
71.04994	2.1
71.08610	1.1
72.08148	0.9
75.04475	1.5
77.03896	1.0
77.13663	1.0
79.05499	45.7
81.07065	92.3
83.08620	7.3
85.06538	2.7
85.59680	1.0
90.78487	1.0
91.05479	23.1
93.07053	59.3
95.04970	3.3
95.08614	68.1
97.06523	3.5
97.10166	3.9
99.08115	1.7
104.04397	0.9
105.07041	17.9
107.07878	1.9
107.08604	38.0
109.06482	1.1
109.10166	35.6
111.08070	2.5
113.09628	1.4
117.07017	10.0
119.07812	1.4
119.08595	16.5
121.10151	32.2
123.08072	2.2
123.11712	18.2
127.11177	1.0
131.08572	18.9
133.10130	16.6
135.11703	29.2
136.27597	0.8
137.13252	8.1
139.11148	1.5
144.08138	0.9
145.10161	13.9
147.11703	11.7
149.09613	1.4
149.13266	21.5
150.58211	1.0
151.11136	1.8
151.14807	2.1
153.12718	1.0
159.11707	14.3
161.13264	8.2
163.11253	1.3
163.14845	12.7
165.12787	1.4
173.13271	16.1
175.14854	2.3
177.12808	1.2
177.16405	5.0
179.14195	1.2
187.14853	9.5
201.16331	2.4
205.15916	2.0
214.77858	0.8
215.17947	1.0
219.17500	1.3
233.22630	4.4
243.21111	23.2
261.22162	100.0
262.22534	2.5
279.23248	2.7
305.28491	1.1
311.57932	1.0
317.24796	1.0
335.25839	5.4
353.26895	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03952	5.4
54.12109	2.2
55.05518	14.5
57.03442	6.6
57.07071	4.4
65.03941	4.9
67.05511	87.7
69.00791	1.9
69.07076	12.9
70.72368	6.8
72.10690	2.2
77.03925	2.6
79.05502	37.0
81.07065	100.0
83.08611	6.0
91.05488	18.6
93.07050	57.2
95.08615	65.4
97.06536	2.9
97.10199	2.9
105.07054	12.0
107.08592	33.9
109.10172	35.0
111.08033	2.7
117.07042	7.4
119.08568	12.7
121.10152	31.6
123.11740	19.2
131.08604	18.6
133.10136	10.2
135.11684	22.6
137.13266	8.1
145.10110	15.7
145.17451	2.4
147.11700	9.4
149.13281	23.4
153.12708	2.9
159.11681	14.1
161.13264	8.1
163.14816	11.4
173.13292	13.3
175.14828	2.4
177.16393	5.3
177.42238	2.4
182.36050	2.5
186.07051	2.3
187.14799	7.8
203.08469	2.6
233.22707	3.9
243.21162	21.3
261.22168	84.9
279.23221	7.4
335.25830	8.2
353.26892	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	353.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	11.1
55.23657	3.2
56.61118	3.0
57.03443	5.2
57.07080	3.7
67.05512	92.8
69.07076	10.0
69.77960	9.4
69.78388	6.9
79.05505	44.8
81.07063	98.6
83.08630	5.7
84.57619	2.5
91.05495	19.5
93.07047	59.4
94.07398	2.7
95.04929	3.6
95.08615	63.4
97.10169	2.6
98.21428	4.1
105.07028	18.5
107.08606	38.8
109.10175	32.9
117.07038	8.2
119.08586	15.3
121.10155	37.3
123.11713	20.0
131.08566	19.9
133.10164	16.2
135.11722	22.7
137.13263	9.3
139.85823	2.4
145.10117	13.8
147.11694	11.4
149.13264	21.2
159.11739	16.0
161.13310	7.3
163.14859	15.0
163.91953	2.7
173.13260	18.5
175.14828	4.1
177.16385	3.2
187.14876	5.0
188.37999	2.7
198.07932	3.2
203.95340	3.1
233.22639	6.0
233.91835	3.3
243.21115	20.2
261.22171	100.0
279.23175	4.9
295.22644	2.8
335.25775	8.3
353.26828	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03949	2.6
55.01884	0.9
55.05513	13.8
55.05761	1.3
57.03438	6.1
57.07079	3.1
65.03935	3.4
67.05508	91.7
67.46954	0.7
69.07071	13.5
71.04998	2.4
71.08631	1.6
75.04485	1.3
77.03925	0.9
79.05499	40.0
81.07061	100.0
83.05003	1.3
83.08625	6.3
85.06559	2.2
91.05486	19.8
93.07047	49.5
95.04369	0.7
95.04980	2.5
95.08611	68.6
97.06548	2.9
97.10173	4.0
98.20712	1.5
99.08099	1.8
105.04540	0.7
105.07040	16.5
107.08599	36.0
109.06513	1.7
109.10164	36.1
111.08098	2.8
111.11758	1.0
113.09649	1.1
114.82163	0.7
117.07012	9.7
119.08579	13.3
119.09361	1.0
121.10145	26.6
123.08057	1.5
123.11711	20.0
125.09618	1.3
131.08582	19.6
133.10143	13.0
135.11703	23.9
137.09647	1.9
137.13243	7.7
139.11229	1.8
145.10138	14.2
147.11694	11.3
149.09624	0.7
149.13263	19.0
151.11270	1.1
151.14847	2.9
153.12830	1.3
159.11697	14.8
159.12877	1.1
161.13252	11.1
163.11229	1.3
163.14818	12.3
165.12827	1.3
165.16504	1.0
173.13274	16.2
175.14880	2.6
177.12779	1.5
177.16389	3.5
179.14391	1.2
187.14813	8.7
191.14417	1.9
201.16385	2.8
205.15901	1.9
215.18123	0.9
219.17491	1.5
233.22734	2.6
243.21121	22.4
261.22156	86.3
262.22620	2.3
279.23175	5.7
279.25827	0.9
317.24710	1.0
318.73373	0.8
335.25836	7.9
353.26880	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	353.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.9
55.01866	3.7
55.05516	46.2
57.03434	22.6
57.07064	9.6
67.05509	98.2
69.03423	4.9
69.07079	40.1
71.05001	5.6
71.08633	66.0
71.50725	4.7
72.08156	6.0
72.16216	2.5
79.05495	50.4
81.06596	5.7
81.07059	100.0
83.04970	7.3
83.08620	25.6
85.06544	5.4
91.05480	32.1
93.07050	62.4
95.04935	4.9
95.08607	71.5
97.06534	14.2
97.10178	18.7
99.08106	55.5
100.65303	2.9
105.07031	26.1
107.08601	41.7
109.10161	34.7
111.08102	2.9
112.08724	3.5
115.37986	2.5
117.07021	8.1
119.08584	23.2
121.10173	25.3
123.11697	14.7
125.09639	10.5
131.08577	20.2
133.10117	10.4
135.11690	24.2
135.38152	2.8
137.09583	3.6
137.13231	8.9
142.16849	3.7
144.08073	6.9
145.10135	15.9
147.11705	33.9
149.09622	6.3
149.13280	19.1
151.14795	4.7
153.12776	7.8
157.10112	5.9
159.11676	7.3
161.13293	8.6
163.11160	7.2
163.14784	11.9
165.12773	8.9
167.14278	4.5
173.13237	10.5
175.14815	4.3
177.16429	4.4
181.15874	5.0
187.14838	5.8
189.11250	6.0
233.22646	3.4
243.21037	18.2
255.95366	2.9
261.22180	32.0
279.23251	33.9
353.26904	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.269
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03948	4.2
55.01875	5.1
55.05519	38.2
57.03445	23.0
57.07067	5.6
65.03960	2.8
67.05509	80.1
69.06726	4.0
69.07071	38.5
71.04974	3.8
71.08636	63.9
71.50541	2.7
71.50891	2.5
72.08155	4.1
79.05502	50.7
81.07059	100.0
83.04993	6.6
83.08620	18.0
85.06558	6.7
91.05489	25.3
93.07047	53.7
95.04980	3.3
95.08612	70.2
97.06528	11.3
97.10175	13.8
99.08103	54.3
105.07045	24.0
107.08603	39.7
109.06499	2.9
109.10160	36.7
111.08078	3.3
111.11741	3.8
113.09664	3.4
117.07029	8.3
119.08567	15.0
121.10156	21.5
123.08082	4.6
123.11725	11.4
125.09628	11.5
127.11169	4.7
131.08585	16.0
133.10135	9.0
135.08055	4.1
135.11707	24.0
137.09608	5.2
137.13266	10.2
139.11220	5.0
143.08604	2.6
144.08075	6.8
145.10162	13.4
147.11702	33.1
149.09631	3.3
149.13310	15.2
151.14841	4.0
153.12733	8.3
157.10139	3.1
159.11707	8.9
161.13269	6.1
163.11209	4.1
163.14825	13.6
165.12749	9.9
167.14224	2.7
173.11844	4.4
173.13289	10.4
175.14807	3.8
177.12790	3.0
177.16432	4.9
181.15816	6.2
187.14822	5.8
189.11316	6.4
201.16307	2.7
213.62807	2.3
215.77950	2.4
233.22665	5.0
243.21092	18.2
261.22150	42.6
279.23215	34.6
280.41772	2.2
319.64890	2.5
350.67493	2.3
353.20300	2.7
353.26950	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2689
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03944	4.9
54.55699	1.6
55.01873	1.9
55.05513	17.4
57.03432	3.8
57.07070	5.2
57.56989	1.5
65.03947	2.8
67.05509	90.6
68.59399	1.6
69.07078	13.8
69.52126	9.7
70.06617	1.4
70.10084	1.4
71.04985	3.7
71.08632	2.7
74.34765	1.4
75.04456	1.6
75.92288	1.4
79.05496	49.5
80.92473	1.3
81.07060	100.0
83.08623	6.2
85.06540	4.6
85.10154	2.1
91.05488	30.0
91.68526	1.7
93.07050	66.1
95.04980	3.5
95.08615	67.5
97.06537	3.2
97.10190	4.1
99.08123	3.4
105.07029	22.4
107.08601	41.5
109.06487	1.9
109.09472	2.5
109.10166	28.5
111.08070	1.8
113.09666	1.9
117.07029	12.1
119.08576	14.6
120.88839	1.5
121.10152	33.6
123.08058	2.4
123.11710	15.5
125.09589	1.6
128.77715	1.5
131.08572	27.0
133.10149	13.3
135.11694	27.0
137.09628	2.0
137.13260	6.6
143.08517	1.7
144.08105	1.6
145.10112	18.8
147.11693	9.5
149.09595	2.2
149.13252	23.3
151.14841	2.7
157.10179	2.0
159.11694	13.7
161.13254	11.4
163.14836	20.2
165.16461	2.3
173.13246	17.0
175.14825	4.3
177.12779	2.9
177.16394	5.1
184.07359	4.2
187.14850	7.8
201.16353	1.9
205.15900	2.5
215.18005	2.2
233.19075	2.2
233.22682	4.9
243.21097	28.5
261.22153	78.9
279.23337	1.8
335.25806	6.9
353.26920	2.5
354.33661	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01476	3.5
53.03951	4.3
55.01876	5.0
55.05522	29.5
57.07065	7.5
65.03924	4.0
67.05518	22.9
69.03405	3.6
69.07071	60.3
70.99643	8.9
71.05002	4.2
71.08643	5.0
79.05489	23.7
81.03409	5.3
81.07061	39.2
83.08621	14.5
86.09713	5.1
91.05489	43.5
93.07056	40.9
93.56310	3.4
95.04955	20.1
95.08614	92.7
97.06551	15.1
99.04462	3.8
105.07041	54.2
107.08600	70.1
109.06515	4.7
109.10155	41.2
111.08102	45.5
115.05421	4.7
117.07034	20.8
117.56701	4.3
119.08593	100.0
121.06504	7.3
121.10152	70.6
123.08120	6.6
123.11724	22.5
128.06229	5.9
129.07016	15.7
131.08557	33.9
133.10132	58.4
135.08067	21.4
135.11702	16.2
137.05983	94.9
137.09624	5.0
137.13249	7.2
139.07532	4.6
142.07779	12.9
143.08566	23.1
145.10124	38.7
147.08037	21.3
147.11691	16.1
149.09619	14.9
149.13252	7.2
151.07651	3.6
155.08540	11.9
156.09354	11.0
157.10172	31.7
158.10944	5.6
159.08051	12.1
159.11726	24.7
161.09583	5.8
161.13240	8.1
163.07518	4.3
163.11185	5.1
165.09079	5.6
167.08554	7.6
168.09401	4.5
169.10139	21.2
170.10875	5.0
171.11659	25.9
173.13272	18.9
175.11249	6.8
175.14832	20.5
177.09117	11.5
177.16396	49.5
181.10184	9.0
182.10912	4.8
183.11716	24.4
185.09770	4.6
185.13318	17.0
189.16400	50.9
195.11771	8.6
197.13295	15.1
198.13968	6.1
199.11157	5.1
199.14845	12.5
201.16415	7.3
207.11729	5.3
209.13280	8.6
211.11201	12.9
211.14830	11.4
213.16417	10.3
215.17909	11.8
221.13333	3.9
223.14868	4.0
225.16405	7.4
227.17873	5.4
229.12303	5.0
237.16444	6.4
239.18016	9.6
241.19641	5.5
253.19617	5.3
254.20386	8.9
267.21112	11.2
298.62680	3.7
335.23676	10.1
353.24725	79.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26112	0.5
50.85640	0.5
52.70793	0.5
55.05513	0.9
56.26244	0.6
57.76467	0.4
58.06603	0.8
60.04499	0.6
67.05491	1.2
68.60159	0.5
69.31215	0.6
71.38591	1.1
79.05498	1.5
80.05811	0.6
81.03425	0.9
81.07062	1.6
84.08139	0.5
91.05475	1.5
93.07042	1.1
95.08600	1.2
105.07030	1.0
107.04976	1.0
107.08567	1.2
109.10202	0.6
119.08596	0.9
125.09586	0.5
127.03886	1.1
131.08632	0.7
133.10159	0.8
143.08592	0.5
145.10135	0.9
152.04657	0.5
163.11147	1.0
169.10127	0.5
172.09152	0.5
195.09941	0.8
204.05481	0.5
263.39218	0.6
335.21597	0.9
353.22980	100.0
354.23318	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	353.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37983	2.8
53.03934	3.9
55.05520	13.3
57.03409	3.2
57.07076	4.5
67.05506	30.1
69.03423	4.7
69.07079	14.8
71.02677	5.5
71.05000	22.6
72.08167	3.1
76.60687	2.7
76.75776	3.2
79.05500	24.9
81.03420	10.3
81.07063	37.1
83.04961	4.1
83.08631	7.8
84.08131	2.5
85.06524	7.2
91.05489	26.8
93.07047	35.4
95.04977	42.5
95.08608	26.9
97.06534	8.7
97.10162	2.7
105.07043	37.5
107.08613	40.4
108.08947	3.9
109.02885	3.3
109.06525	15.6
109.10174	15.0
111.08086	3.8
115.90601	2.8
117.07035	11.2
119.08603	42.6
119.09389	6.1
121.02789	3.1
121.06499	7.5
121.10174	29.3
123.08055	10.6
123.11713	10.1
127.03931	5.5
128.06248	5.8
128.85472	2.7
129.07036	9.2
131.08565	30.1
133.10138	36.0
135.08089	23.8
135.11716	20.8
137.09685	4.1
139.11194	3.3
141.07004	3.8
142.07816	10.1
143.08559	23.7
144.08072	3.7
145.10149	28.5
147.08067	6.2
147.11690	13.1
149.09659	12.7
149.13231	3.2
151.11224	4.0
155.08592	9.5
156.09373	10.3
157.10149	43.0
159.08095	9.2
159.11734	21.9
161.09622	38.2
161.13287	8.8
163.11220	8.2
167.08588	4.9
168.09483	3.4
169.10164	16.5
170.10941	4.1
171.11708	19.4
172.12440	3.3
173.09694	8.9
173.13255	19.9
175.11179	7.5
181.10129	6.2
182.10953	6.6
183.11725	10.4
185.09712	3.3
185.13324	10.0
187.11234	6.6
187.14867	10.1
189.12744	6.5
189.16513	4.5
191.10689	3.0
193.10139	3.4
195.11746	11.7
197.13264	21.8
199.11191	3.9
199.14822	5.4
201.12775	7.8
203.14369	5.2
206.11034	3.4
207.11690	5.0
209.13306	12.4
211.14905	7.8
213.12773	11.1
215.14369	20.2
219.11548	3.3
223.14949	7.4
225.16522	6.1
227.14429	5.8
231.13959	3.6
235.14899	6.1
237.16469	4.7
265.19351	3.5
271.20560	3.7
276.20428	5.0
277.19608	6.4
279.17477	3.6
283.20755	6.2
293.23077	15.3
295.20557	16.1
297.18335	3.0
311.23837	5.3
335.23633	27.4
353.24838	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42073	0.3
55.05510	0.4
56.05038	0.4
57.53705	0.3
67.05523	0.7
69.07063	0.6
69.25723	0.3
69.29047	0.6
69.29453	2.5
70.06586	0.4
71.14729	0.3
79.05489	1.2
81.03423	0.7
81.07056	1.3
91.05485	0.8
93.07034	1.1
95.04952	0.4
95.08640	0.7
97.06528	0.4
105.07010	0.8
107.08610	0.6
109.06596	0.4
109.10160	0.5
119.08566	0.8
121.10122	0.7
126.12816	0.8
126.18930	0.3
127.03959	0.4
135.11649	0.4
140.14317	0.6
144.08063	0.4
149.94485	0.4
159.11742	0.4
163.11183	0.4
178.76447	0.3
353.23010	100.0
354.23230	2.5
357.12711	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.16
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.3
53.03954	9.6
55.01883	2.7
55.05516	8.2
57.03440	2.5
57.07096	1.7
65.03928	1.3
67.05510	24.7
69.03435	19.9
69.07077	8.6
71.05000	4.3
71.49882	1.4
72.08157	1.6
73.36883	1.0
79.05500	23.0
80.05837	1.3
81.03427	64.7
81.07067	26.0
83.04974	2.4
83.08636	8.3
85.02925	1.5
85.06553	1.5
91.05482	10.2
93.07051	35.0
95.04984	7.9
95.08618	35.1
97.02916	5.7
97.06536	3.2
97.10212	1.6
99.04466	11.3
105.07038	9.0
107.04971	6.8
107.08611	24.0
109.02901	26.2
109.06545	3.1
109.10185	7.5
111.04444	1.3
117.07021	8.2
119.08592	10.3
120.91772	1.1
121.06529	4.9
121.10162	13.5
123.11689	3.3
125.06001	2.9
127.03938	26.2
129.07043	1.6
131.08588	5.9
131.29378	1.1
133.10146	4.7
135.08067	3.2
135.11707	35.0
137.13278	2.1
139.07504	1.3
143.08597	2.1
144.08099	2.4
145.06516	1.4
145.10135	19.1
147.11763	2.2
149.13268	2.5
153.12852	1.2
159.11693	3.0
163.11203	46.8
163.14830	2.7
169.10179	1.4
171.11636	1.7
173.09633	1.9
173.13283	3.0
175.14883	1.4
177.12779	1.3
181.12221	7.4
209.11746	2.6
227.12799	100.0
228.13213	1.8
243.21112	2.9
261.22147	10.6
294.24518	1.4
353.15646	5.4
353.25098	4.2
374.75729	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	20.1
55.01871	10.9
55.05512	8.8
57.03431	4.0
59.14962	1.4
65.03944	3.2
67.05508	38.3
69.03436	28.0
69.07074	7.5
69.66829	4.4
69.67247	4.7
71.04974	6.6
77.03940	2.5
79.05077	2.8
79.05499	38.9
81.03422	100.0
81.07059	29.3
82.04185	2.2
83.04981	13.0
83.08611	4.0
85.02910	7.9
85.06566	2.2
91.05481	28.6
93.07050	31.2
95.01353	8.9
95.04980	18.4
95.08607	15.7
97.02917	9.2
97.06541	13.9
99.04480	11.6
103.05461	2.0
105.07035	12.2
107.04962	53.2
107.08587	19.9
109.02890	55.6
109.06525	5.6
109.10155	3.4
110.03670	5.7
111.04437	14.2
111.08098	1.6
115.05476	1.8
117.07030	14.5
119.08598	13.0
121.06511	6.0
121.10162	23.5
123.04405	6.4
125.02351	3.1
125.05993	3.1
126.03132	3.3
127.03928	78.7
129.07014	6.2
130.07793	2.8
131.04921	5.3
131.08582	10.4
133.10118	3.2
135.08040	3.2
135.11696	30.6
135.12701	1.8
143.08585	2.7
145.06483	9.5
145.10133	32.2
147.04405	5.2
147.08037	3.4
147.11644	2.1
149.05992	2.4
149.09637	6.6
153.12709	5.4
155.08571	11.8
158.07291	2.4
161.06001	2.2
161.09561	2.0
163.11182	39.3
167.08710	1.5
173.09627	32.1
181.12222	11.2
191.10684	29.0
196.03957	1.6
209.11766	16.9
215.89905	1.4
224.15099	1.4
224.32364	1.9
227.12772	18.3
242.27411	1.5
247.35461	2.3
251.12856	2.6
271.13257	2.4
289.14191	2.1
307.15399	3.1
317.13898	2.6
330.81027	1.6
335.14868	24.0
353.15948	63.2
354.16269	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	21.3
55.01866	12.3
55.05507	7.0
57.03438	3.0
65.03938	2.4
67.05179	3.5
67.05508	39.3
69.03436	24.8
69.07052	7.9
69.86003	9.1
69.86429	4.9
71.04976	7.1
72.97143	2.6
73.02908	2.0
74.07909	2.4
75.52233	2.0
76.00647	2.3
77.13821	2.3
79.05495	40.0
81.03424	100.0
81.07064	28.6
83.04971	14.5
85.02883	8.3
91.05492	27.9
93.07050	34.2
95.01321	5.9
95.04978	18.5
95.08617	15.9
97.02892	8.3
97.06527	13.4
98.21442	3.4
99.04455	13.4
105.04436	2.4
105.07043	15.5
107.04963	55.6
107.08572	17.6
109.02886	49.1
109.06508	5.2
109.10121	3.0
110.03651	6.2
111.04462	13.9
111.08009	2.8
117.07021	18.2
119.08602	14.0
121.06509	5.7
121.10148	22.4
123.04425	6.8
125.02337	3.8
127.02983	4.4
127.03928	90.9
129.07008	5.0
131.04854	5.8
131.08568	10.6
133.10147	5.1
135.11702	29.0
136.62894	2.4
143.08577	4.1
145.06456	9.4
145.10133	36.9
147.04413	3.9
147.08043	4.2
149.09601	7.0
155.08589	11.2
161.09659	3.2
163.06689	2.3
163.11191	45.8
167.10693	2.3
173.09621	32.3
181.12256	12.4
186.94473	2.5
191.10667	26.7
209.11713	15.7
227.12762	23.6
230.60399	2.3
238.52893	2.3
289.14523	3.2
304.72296	2.4
304.75851	2.8
307.15652	2.9
317.13687	3.5
335.14911	24.1
353.15927	78.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
55.05501	2.5
56.05022	2.2
57.03426	0.5
58.06593	0.7
60.04522	3.4
61.01125	0.6
61.71869	0.6
67.05501	1.5
69.03423	0.6
69.07063	1.1
69.59924	3.8
70.06599	8.2
72.08158	24.1
82.06582	0.7
84.04493	2.0
84.08141	6.9
86.09708	18.6
87.05589	2.3
88.04012	0.8
91.05480	8.1
95.04956	0.7
98.20770	1.1
100.07588	0.7
103.05453	0.9
104.05323	0.7
105.07011	0.6
107.04946	1.1
110.07159	0.8
112.08738	1.1
112.11240	1.2
115.08660	0.7
116.07107	0.9
118.06541	0.6
119.03609	0.7
119.04959	10.3
120.01147	1.5
120.08112	14.7
121.06505	0.8
123.04410	1.1
129.10246	3.9
130.06487	0.9
132.10210	6.2
136.06195	32.3
136.07567	100.0
137.07933	1.2
143.08221	0.7
144.08060	2.4
146.38191	0.5
148.06265	0.8
148.07576	1.0
149.07399	0.6
159.06610	0.5
159.11308	3.2
162.05411	0.7
162.09171	1.6
163.03893	0.5
166.08640	4.7
172.77409	0.6
185.08286	1.6
187.10805	3.2
193.09735	54.0
197.26479	0.6
202.10855	2.9
207.11275	7.5
213.21384	0.5
220.11945	28.0
220.29057	0.6
221.09213	8.7
231.81712	0.7
235.10735	1.6
246.61101	0.5
253.11832	4.7
257.93854	0.6
264.25287	0.7
276.14511	2.1
290.54474	0.7
295.16382	1.2
340.84283	0.6
352.15988	2.1
352.21313	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52576	0.2
53.03941	0.5
55.01873	0.4
55.05509	0.8
56.05036	0.3
57.03423	0.4
58.06591	0.2
60.02321	0.2
60.04526	0.2
67.05503	1.0
69.03445	0.9
69.07068	0.7
70.06606	1.5
71.04977	0.4
71.49590	0.3
72.07037	0.2
72.08165	1.7
73.02904	0.3
79.05501	1.1
81.03423	2.1
81.07043	1.2
82.06516	0.2
83.04995	0.5
83.08628	0.5
84.04523	0.3
84.08134	1.2
85.02908	0.3
85.06545	0.3
86.06006	0.2
86.09721	1.2
91.05500	1.4
93.07041	1.0
93.92515	0.2
94.04053	0.8
95.01336	0.2
95.04978	0.6
95.08598	0.3
97.02902	0.6
97.06554	0.5
103.05460	0.5
104.05001	0.3
105.07057	0.9
106.02885	0.2
106.06516	0.2
107.04983	1.7
107.08607	0.8
109.02898	1.2
109.05167	0.3
109.06512	0.3
109.10191	0.2
111.04438	0.4
111.09261	0.2
112.08743	0.2
112.11249	0.3
116.04995	0.8
117.07040	0.6
118.01305	0.2
118.06545	0.5
119.03566	2.0
119.04958	0.2
119.08598	0.8
120.08120	2.8
121.06482	0.3
121.08454	1.1
121.10167	0.7
123.04443	0.3
123.08080	0.2
127.03946	1.7
128.07054	0.2
129.10252	0.5
130.02829	0.2
131.08595	0.5
133.06496	0.2
133.10156	0.3
134.05995	0.4
135.08090	0.2
135.11711	0.6
136.06197	100.0
137.04593	1.0
137.05592	0.2
137.06557	0.6
138.09184	0.2
144.04442	0.7
145.10136	1.1
146.06029	0.8
147.04350	0.3
147.06355	0.3
147.08073	0.3
147.11681	0.3
148.03935	0.4
148.06158	0.9
149.09692	0.5
150.01901	0.3
155.08621	0.3
157.10239	0.2
160.03998	0.4
162.05487	2.7
163.11162	0.9
167.07043	0.6
172.03973	0.6
173.09641	0.7
176.03462	0.7
176.05754	0.2
177.06586	1.0
181.12321	0.3
188.07076	0.6
189.07460	0.5
189.13048	0.2
191.07091	0.5
191.10706	0.4
192.07834	0.5
206.10075	0.4
209.11630	0.3
218.04514	0.8
227.12903	0.3
261.09125	0.3
289.08661	0.3
311.08917	0.3
321.11224	0.5
335.15396	0.3
353.09961	19.6
353.16290	2.1
354.10135	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.166
Annotation	H-TRP-PHE-OH
Peak:m/z	Relative Intensity
52.97992	0.5
55.01849	0.4
55.05514	0.5
59.78832	0.4
67.05486	0.5
69.38969	3.6
70.06579	1.3
70.53529	0.4
72.08142	2.7
79.05484	0.6
84.08138	1.0
86.09724	1.1
91.05489	2.9
98.63314	0.5
103.05483	3.0
105.07016	1.0
107.04947	0.5
108.19379	0.4
109.10189	0.6
112.11228	0.5
115.05452	5.4
117.05782	4.8
117.07044	2.4
118.06554	2.7
119.08566	0.5
120.08113	17.8
128.04990	2.4
130.06537	42.7
131.07018	0.6
132.08098	55.2
133.08420	1.0
135.04449	0.4
136.06175	1.6
137.74393	0.5
142.06532	9.1
143.07297	1.6
144.08092	47.8
146.06020	16.6
154.23111	0.5
158.08372	0.8
159.09186	100.0
160.07596	5.7
160.09612	1.0
165.21313	0.6
170.06018	18.7
172.07645	0.8
175.08644	0.7
187.08748	0.5
188.07104	1.3
192.06551	0.9
232.11473	0.5
241.45949	0.5
245.97714	0.5
289.13272	1.4
293.12836	1.7
307.14432	2.1
335.13910	44.8
336.14166	0.8
352.16611	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	2.9
51.75392	2.8
53.03950	4.0
55.05297	2.8
55.05516	25.8
57.07069	4.0
62.12564	2.4
63.19276	3.2
65.03935	4.0
67.05184	3.7
67.05511	38.6
69.03424	6.7
69.06731	4.5
69.07072	56.0
70.68536	5.8
70.68907	5.5
71.04984	8.7
71.08631	3.9
74.81975	2.7
77.03927	3.3
79.05497	31.3
80.24974	2.6
81.03420	4.3
81.07065	64.5
83.04972	3.0
83.08624	13.9
91.05482	51.2
93.07048	79.1
95.04972	26.6
95.08614	63.4
97.06535	12.2
97.10159	3.1
99.08141	3.0
105.07032	100.0
107.04949	3.8
107.08598	56.8
109.06508	11.2
109.10168	50.0
110.87392	2.8
111.08066	5.5
115.05436	6.7
116.06249	5.1
117.07034	14.7
118.89331	2.4
119.08592	91.4
121.06486	8.7
121.10166	46.4
123.08109	3.5
123.11723	15.4
128.06227	8.3
129.06973	14.7
130.07806	4.3
131.08578	45.5
133.10136	52.7
135.08066	8.7
135.11694	12.6
137.13255	8.9
141.07007	6.2
142.07805	16.6
143.08574	26.9
144.09384	3.7
145.10136	44.5
146.07266	9.4
147.08064	5.0
147.11681	26.8
149.09621	12.3
149.13173	6.7
155.08556	5.6
156.09361	11.4
157.10124	44.6
158.10904	3.6
159.11710	30.4
159.12929	4.6
160.12514	4.0
161.09627	40.4
161.13268	13.8
163.14870	4.2
165.06918	4.1
168.09332	3.7
169.10120	11.9
170.10910	6.0
171.11694	26.0
173.09586	4.8
173.13269	10.1
175.11180	4.3
175.14839	15.0
177.16426	11.9
179.08601	6.1
180.09306	3.6
181.10100	4.9
183.11723	9.7
185.13315	19.9
187.14864	8.0
189.16367	8.7
193.10059	3.6
194.10977	4.8
195.11707	5.3
196.12393	3.6
197.13235	14.4
199.14789	9.1
201.16393	8.8
203.17900	7.4
207.11688	6.5
208.12500	3.9
209.13295	15.1
211.14853	8.0
213.12730	3.1
213.16441	5.3
227.14355	5.5
227.17873	3.2
241.19490	4.3
255.21176	5.5
267.21136	4.3
305.24136	2.9
341.40906	2.8
351.26874	22.6
351.30505	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	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28902	1.8
51.72436	1.6
53.03953	5.4
55.01871	7.2
55.05513	29.3
57.03439	17.2
57.07066	5.7
64.95313	1.6
65.03928	3.1
67.05510	65.9
67.95835	1.9
69.03423	4.4
69.07069	23.2
69.21345	17.6
71.04998	3.9
71.08634	62.0
72.08164	7.6
79.05500	61.8
81.03408	10.1
81.07062	65.9
83.04974	14.2
83.08624	12.9
85.06544	6.6
91.04922	2.2
91.05487	41.5
93.07048	74.3
95.04993	14.1
95.08613	46.5
97.06518	10.6
97.10166	7.8
99.08099	40.7
105.06393	3.2
105.07035	31.2
105.07704	3.0
107.04955	9.5
107.08597	41.6
109.06546	5.9
109.10163	22.6
111.08131	3.6
113.09675	4.9
117.07027	7.5
119.08591	32.5
121.06538	2.3
121.10147	33.1
123.08050	3.8
123.11700	4.3
127.11215	1.8
129.07010	4.3
131.08575	6.7
133.10135	19.2
135.08051	2.4
135.11697	37.5
137.09645	8.3
139.11214	3.6
141.09099	3.7
143.08569	4.9
145.10136	6.5
147.11699	13.4
149.09604	2.1
149.13275	12.4
151.11194	18.4
154.12277	1.9
157.10167	3.6
159.11700	5.8
161.13295	18.0
163.11157	9.2
163.14810	3.9
165.12744	11.9
167.10675	4.2
171.11667	4.5
173.13280	4.6
175.14815	4.3
177.12798	5.5
179.14314	100.0
185.13310	3.1
189.12825	3.5
199.14748	2.4
209.15565	2.0
221.15503	4.8
231.21158	2.7
235.16948	3.4
241.19560	6.1
259.20523	18.5
277.21634	35.1
289.21732	2.4
295.22586	2.1
311.92825	1.9
320.55716	1.7
334.31183	2.6
351.25406	46.7
351.33853	2.2
352.25021	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	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03517	1.4
53.03942	5.2
55.01870	3.3
55.05269	2.0
55.05516	22.6
57.03444	21.9
57.07071	5.0
65.03942	2.8
67.05510	68.2
68.32004	1.4
69.03432	3.0
69.07073	20.1
69.81438	7.1
71.04984	5.2
71.08638	58.9
72.08163	12.8
73.08489	3.1
79.05498	58.3
80.02866	1.4
81.03429	9.5
81.07063	58.9
82.71767	1.3
83.05000	11.0
83.08624	11.4
85.06544	4.3
90.09238	1.7
91.05489	42.1
93.07052	73.8
95.04978	13.5
95.08609	41.3
97.06537	10.6
97.10179	5.0
98.21465	1.5
99.08097	33.3
103.67338	1.4
105.04542	2.2
105.07042	28.8
107.04971	9.0
107.08603	34.7
109.06523	4.9
109.10173	20.3
111.08075	4.2
113.09648	2.9
117.07030	5.9
119.08581	19.7
121.06507	1.5
121.10163	31.8
121.11024	1.7
123.08069	2.7
123.11743	2.6
125.09691	2.8
129.07019	4.3
131.08565	6.9
133.10135	17.3
135.11699	34.5
137.09610	4.5
137.13333	1.7
141.09123	5.3
143.08591	4.7
145.10173	7.7
147.11697	13.4
149.09653	2.3
149.13275	12.4
151.11179	21.8
153.12782	2.5
157.10152	3.3
159.11674	5.3
161.13271	17.3
163.11223	6.9
163.14832	3.9
165.12817	1.9
167.10698	2.0
171.11710	5.0
173.13232	2.4
175.14848	4.6
177.12779	5.3
179.14325	100.0
185.13287	2.9
189.12729	2.7
195.13780	2.2
199.14903	2.5
221.15329	2.7
235.16989	4.4
241.19504	4.5
259.20602	9.9
277.21625	37.6
351.18768	1.9
351.25391	40.1
351.30576	3.2
352.25275	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	351.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.3
55.01869	3.7
55.05518	26.9
57.03443	20.9
57.07075	6.0
60.04948	1.7
65.03938	3.2
66.85373	1.5
67.05512	74.0
69.07073	23.9
70.06577	1.9
70.95424	3.4
71.04994	4.7
71.08243	2.9
71.08639	59.5
72.08170	18.0
73.08495	2.3
79.05502	58.0
81.03442	10.3
81.07066	69.2
83.05000	9.3
83.08624	11.6
85.02934	1.5
85.06542	6.9
90.09212	2.8
90.56814	1.5
91.05486	45.7
93.07054	77.8
95.04984	12.9
95.08619	46.4
97.06537	9.9
97.10181	6.7
99.07498	2.6
99.08105	37.2
99.08747	1.8
105.07046	26.9
107.04974	8.3
107.08608	44.5
108.63253	1.5
109.06552	6.0
109.10162	24.8
111.08104	3.6
113.09634	2.9
114.00574	1.6
117.07024	8.0
119.08601	29.0
121.06543	1.5
121.10159	36.6
123.08105	3.7
123.11703	4.2
125.09634	3.8
129.07007	4.4
131.08588	8.3
133.10136	18.0
135.08099	3.6
135.11700	40.8
137.09651	6.8
139.11224	1.9
141.09137	4.6
143.08574	4.6
145.10159	9.2
147.11711	13.3
149.09525	2.3
149.13289	13.2
151.11194	20.3
157.10187	3.7
159.11734	7.3
161.09642	1.6
161.13274	18.1
163.11130	7.8
163.14897	2.8
165.12750	2.8
167.10699	2.8
171.11707	6.2
173.11795	1.9
173.13217	3.1
175.14856	2.7
177.12761	3.9
179.14326	100.0
185.13269	4.5
189.12794	4.6
195.13831	3.1
199.14850	3.2
207.13773	2.4
221.15407	5.4
231.17426	1.8
235.16905	7.5
241.19533	4.0
259.20593	14.1
268.40494	1.8
277.18900	1.4
277.21637	38.9
289.97079	1.6
306.25006	2.5
334.30896	1.7
351.25433	41.1
351.30450	3.4
352.25201	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.6
53.10192	2.0
55.01865	3.6
55.05514	23.2
57.03440	11.4
57.07073	5.2
65.03929	2.8
65.27290	2.2
65.42464	2.0
67.05507	63.0
69.03382	2.5
69.07073	28.2
69.81449	12.2
71.04973	2.5
71.08614	8.4
75.04473	2.4
79.05495	79.9
81.03415	6.2
81.07058	66.9
83.08601	9.6
85.06523	4.1
91.05487	68.4
93.07048	100.0
95.04965	10.0
95.08607	51.0
97.06526	8.2
97.08246	2.3
97.10162	5.2
99.08083	7.2
105.07024	67.5
107.08594	59.7
109.06516	6.3
109.10156	18.7
111.08053	3.4
117.06995	11.2
119.08588	65.9
121.06480	3.3
121.10159	41.4
123.08047	3.3
123.11692	5.2
126.16232	2.4
129.06993	9.0
131.08574	25.5
133.10136	50.5
135.08064	3.7
135.11703	47.7
137.09637	5.8
142.07784	3.1
143.08606	11.6
145.10112	23.9
147.11702	49.1
149.13274	30.9
151.11208	3.7
155.08545	2.6
157.10199	11.9
159.11685	19.6
161.13264	41.6
163.11148	5.7
163.14825	9.6
169.10150	4.9
171.11725	15.8
173.13283	13.9
175.14857	15.4
177.12733	5.6
179.14316	10.2
183.11624	2.3
185.13309	13.5
187.14896	3.5
199.14801	10.4
201.16513	2.9
213.16414	4.2
214.45023	2.2
217.19571	3.4
223.14729	4.1
231.21123	8.5
235.16998	2.8
237.16193	2.9
241.19539	36.4
249.16435	2.5
259.20587	96.8
260.21017	3.8
277.21677	21.4
333.24503	7.0
351.18588	5.5
351.25543	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.8
54.69094	2.3
55.01860	2.5
55.05520	23.2
56.96584	2.8
57.03438	10.2
57.07081	4.5
65.03937	4.5
65.39161	2.1
65.45748	2.3
67.05512	60.0
69.07077	26.2
71.04991	5.4
71.08643	6.0
71.50441	4.4
72.08144	5.0
72.72602	1.9
74.52339	2.0
74.75823	2.1
79.05499	66.2
81.07063	74.2
83.04984	4.5
83.08619	8.5
85.06557	4.2
87.04467	2.3
91.05490	51.9
93.07052	100.0
95.04983	8.5
95.08611	47.3
95.09184	4.3
97.06538	3.8
97.10180	8.2
99.08129	5.4
105.07039	54.5
107.08603	58.4
109.06543	8.1
109.10167	26.7
110.97598	2.0
111.08105	2.8
113.09652	2.6
117.07000	12.5
119.08583	49.1
121.10154	47.0
123.08099	4.1
123.11732	3.5
123.77142	2.1
129.07014	8.9
131.08574	21.4
133.10138	45.6
135.11699	49.2
137.05962	12.3
137.09648	3.8
142.07854	2.5
143.08577	12.2
143.95488	2.2
145.10129	26.4
147.11693	43.3
149.09569	5.1
149.13248	29.3
151.11205	5.0
157.10098	14.2
159.11682	18.1
161.09673	4.5
161.13268	29.7
163.11229	3.4
163.14833	7.8
165.12712	2.5
169.10271	3.2
171.11700	15.7
172.12160	2.6
173.13312	7.6
175.06682	2.1
175.11194	3.2
175.14827	13.4
177.12794	4.2
179.14372	5.1
185.09644	2.7
185.13213	12.5
187.14893	2.7
189.16470	2.4
199.14877	7.9
203.14528	3.0
203.31911	2.3
211.15039	2.4
213.16437	6.1
231.17416	3.3
231.21092	6.3
241.19560	21.8
249.18524	5.7
251.54565	2.2
259.20605	89.3
277.18228	2.9
277.21667	16.4
333.17407	7.8
333.24231	9.6
351.18884	21.1
351.25577	59.7
369.19531	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2322
Annotation	2-Geranyl-3,5-dihydroxybibenzyl
Peak:m/z	Relative Intensity
55.01881	3.4
55.05522	12.3
57.03437	2.7
62.59913	2.4
67.05516	26.1
68.80035	2.3
69.07072	12.8
69.52663	17.4
71.04992	3.9
72.08130	3.4
76.18645	2.7
79.05496	19.2
81.07060	29.9
81.63549	2.6
83.04965	3.9
83.08607	7.1
91.05482	26.5
93.07039	34.1
95.04937	10.0
95.08617	32.2
97.06519	7.6
98.20786	5.9
99.04462	5.1
103.05416	3.5
105.07038	43.4
107.04942	3.1
107.08614	26.8
109.06528	6.2
109.10184	21.1
111.08060	11.3
117.07014	8.9
119.08594	43.0
121.06477	6.3
121.10135	36.3
123.08071	3.8
123.11696	7.5
128.06203	5.4
129.06952	8.5
131.08559	25.0
133.10149	28.4
135.08008	6.3
135.11693	16.1
137.06018	18.6
141.06963	6.0
142.07742	9.4
143.08592	21.9
144.09300	5.7
145.10135	37.5
147.11722	12.7
149.09633	6.8
153.06960	5.2
153.13615	2.7
155.08546	11.2
156.09331	9.1
157.10112	32.3
158.10875	5.4
159.08025	5.8
159.11690	20.5
161.13223	8.8
163.07423	2.7
163.11197	3.1
165.06953	3.2
167.08545	8.8
169.10136	10.4
170.10904	5.6
171.11723	21.2
172.12431	3.0
173.09663	4.3
173.13298	19.5
175.14758	6.9
179.08606	4.2
180.09349	4.0
181.10071	13.5
182.10831	3.2
183.11710	17.4
185.13228	13.8
187.11211	3.8
187.14801	13.7
193.10184	4.6
194.10918	5.8
195.11699	18.0
196.08847	3.2
196.12505	6.2
197.09547	3.0
197.13263	16.0
199.14787	6.3
200.15584	3.5
201.12572	3.7
207.11681	8.8
208.12466	4.6
209.13254	20.6
210.14011	3.0
211.11189	8.5
211.14859	10.0
213.12706	3.5
219.11668	2.9
221.13243	8.3
223.11263	3.7
223.14865	6.4
225.12756	4.0
225.16368	6.7
229.12167	5.3
237.16351	6.3
239.17834	6.2
245.90521	3.2
249.16290	4.9
251.14125	3.1
251.18028	4.8
252.18765	4.1
253.19460	4.6
263.14136	3.0
265.19513	11.6
275.17758	3.3
277.21588	3.9
279.20966	3.2
280.21759	3.5
281.15060	2.9
281.22571	3.3
283.16931	2.9
293.19089	2.8
295.16904	5.8
305.22470	3.4
323.23557	7.2
333.22101	11.8
351.23141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2143
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
55.05502	0.8
60.04528	0.4
67.05486	1.1
69.03402	0.5
71.30725	0.5
71.31048	0.7
71.70770	0.4
73.79665	0.5
79.05487	1.0
81.07050	1.4
81.46812	0.4
84.08147	0.7
91.05470	1.0
93.07043	1.3
95.04955	0.5
95.08597	1.2
105.07022	0.9
107.08607	1.1
111.04420	0.5
113.94082	0.4
119.08566	0.5
121.08564	0.4
133.10144	0.5
135.11679	0.6
145.10100	0.7
165.33157	0.4
166.54959	0.4
187.14778	0.5
204.52933	0.4
213.09705	0.5
231.10698	0.6
292.22931	0.5
315.17798	0.5
333.19464	0.8
351.21429	100.0
352.21805	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	351.2145
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
61.46556	0.5
70.62499	1.5
81.07063	0.5
81.62589	0.6
85.55434	0.5
92.67391	0.4
189.42850	0.6
351.21445	100.0
352.21716	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	351.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.6
55.01862	1.2
55.05511	4.7
57.03426	2.5
57.07081	1.3
67.05184	1.0
67.05508	11.5
68.09351	0.7
69.03415	0.8
69.07070	4.8
70.06567	1.1
71.04991	1.5
71.08644	1.6
71.47499	0.6
71.50293	1.1
72.08139	1.9
79.05503	13.3
81.03426	1.2
81.07066	11.8
83.04959	1.4
83.08615	2.4
84.08121	0.9
85.06536	1.2
85.51679	0.8
90.11987	0.7
91.05488	14.1
93.06490	1.1
93.07050	16.5
95.04967	3.1
95.06119	1.0
95.08622	8.1
97.02897	1.0
97.06516	1.6
97.10214	1.1
99.08085	1.7
100.00543	0.7
105.07034	11.7
107.04955	1.0
107.08609	8.9
109.02780	0.7
109.06522	2.3
109.10172	3.4
117.07007	2.9
119.08607	10.2
121.06523	0.8
121.10154	9.5
123.08134	1.2
123.11678	1.5
123.29964	0.7
125.09650	1.3
126.18240	0.7
127.03891	0.8
128.06204	0.7
129.07021	2.3
131.08582	5.0
133.10152	10.7
135.08157	0.8
135.11752	5.3
135.72998	0.8
137.05998	3.9
137.09595	0.9
141.48657	0.7
142.07724	1.2
143.08572	2.3
145.10123	5.0
147.08035	1.1
147.11682	8.5
149.09625	1.0
149.13284	3.0
151.11205	1.2
157.10117	2.3
159.08032	1.0
159.11707	3.5
161.09634	1.3
161.13300	6.4
163.11226	1.5
163.14900	1.1
165.12790	1.1
171.11699	4.4
173.13252	2.2
175.11223	0.7
175.14854	2.4
183.11603	0.8
185.13252	2.5
189.12721	0.9
195.11620	0.8
199.14836	1.3
207.11774	0.8
231.21150	1.0
241.19482	5.2
259.20615	12.1
263.17941	0.7
277.18216	0.8
277.21616	2.3
292.22678	0.7
293.18936	1.1
333.20682	1.2
350.27484	0.8
351.21417	100.0
351.25217	8.6
352.21829	2.4
353.88275	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.01873	0.8
55.26231	0.9
56.05034	1.3
56.13353	0.7
58.06595	1.2
59.66278	0.7
60.04536	1.1
67.05485	1.0
67.37202	0.8
70.02951	2.6
70.06601	5.9
71.49198	1.0
71.49595	1.1
72.08164	12.6
74.06107	1.1
84.04514	3.6
84.08141	7.4
86.09718	3.2
87.05596	9.5
88.04016	4.0
88.57777	0.7
90.05553	2.8
91.05486	14.8
95.04960	0.9
98.02426	4.0
100.07561	0.9
102.05550	0.8
103.05465	6.4
105.07055	2.3
110.07172	1.5
112.07677	1.0
112.11272	4.6
115.05019	0.9
118.06501	0.9
120.08114	100.0
121.08462	0.9
123.04449	1.7
127.03939	1.2
129.07085	0.8
129.10242	2.1
129.13882	1.1
130.06538	26.4
131.04927	1.6
136.07597	1.7
144.08119	3.8
145.05035	1.1
146.09654	1.7
147.09177	1.2
154.06543	0.9
158.06036	3.3
158.08208	0.9
166.08635	2.9
172.07587	9.6
174.09187	1.2
175.08698	16.7
177.10335	0.8
182.06071	2.6
189.10237	3.3
200.07092	7.1
216.11365	1.1
217.09746	11.6
220.09796	1.4
228.06625	1.9
229.09659	3.6
231.11224	0.9
234.12378	50.5
237.12346	5.8
245.09312	2.0
247.10889	1.3
262.11893	7.9
271.10895	1.3
275.10349	2.9
317.11401	5.3
325.16620	1.4
333.15656	2.1
334.14090	2.6
342.16754	1.2
351.11929	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.05516	4.3
56.05042	1.2
57.05813	1.2
67.05508	10.5
69.07063	4.0
70.06596	5.3
70.15141	1.7
72.08157	100.0
73.02902	0.5
73.08490	0.4
79.05502	7.0
81.07061	9.0
83.08630	1.6
83.65550	0.5
90.09197	22.3
91.05483	3.8
93.07044	8.2
95.04963	0.8
95.08602	6.8
97.06548	0.5
97.10152	0.6
99.04472	0.5
105.07088	1.9
107.08589	4.2
109.10155	1.6
117.07069	0.7
119.08579	1.9
121.10119	2.2
123.08057	0.9
123.11722	0.7
131.08606	0.8
133.10225	1.5
134.10507	0.5
135.11708	1.5
143.08685	0.5
145.10114	0.9
147.11691	0.8
149.13266	0.6
161.32892	0.4
171.11975	1.4
175.44530	0.4
179.14409	0.7
180.14748	0.5
305.24738	9.3
350.23712	1.2
350.30563	38.8
351.30661	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.0
55.05517	51.9
56.05033	2.0
56.76806	0.5
58.99591	3.2
59.58713	0.5
61.56667	0.6
66.73986	0.5
69.76109	2.1
69.76517	1.1
70.06598	4.9
72.08167	4.2
76.02247	2.1
80.05030	1.0
83.08625	100.0
84.04512	42.6
84.05037	1.1
84.08152	4.5
84.08917	0.9
86.09700	2.9
86.99051	4.3
88.03991	2.0
97.07164	0.5
98.36680	0.6
101.09667	19.9
102.05544	1.0
105.00100	9.7
112.11314	0.8
114.03791	0.6
119.01401	0.5
120.08139	1.4
122.02728	1.8
125.07139	0.6
129.10263	1.8
130.05000	7.5
133.03868	0.5
136.07492	0.6
142.03224	6.0
154.05020	0.7
159.08408	6.3
171.07697	1.2
187.07910	2.3
188.03719	2.9
205.08951	57.1
206.09418	0.8
217.08273	0.5
222.11606	18.2
234.04318	0.7
261.57278	0.6
277.21265	0.6
288.12704	2.4
333.14948	1.5
334.13324	1.7
351.15860	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	350.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09201	1.0
52.24577	0.9
53.03951	1.3
55.05505	5.5
56.05028	1.4
57.03432	6.1
60.04523	2.2
64.36040	1.0
67.05509	2.2
68.10307	1.0
69.07071	4.4
70.06596	11.1
70.68953	2.9
71.05001	1.2
72.08154	9.2
79.05479	1.9
81.07053	8.4
82.06586	1.2
82.07401	2.9
83.08638	1.7
84.04517	2.1
84.08144	7.6
86.09712	100.0
91.05483	4.2
93.07073	1.5
94.38992	1.0
95.04989	1.2
97.06543	1.8
98.06042	1.4
98.06766	1.0
99.08102	10.5
100.07645	1.9
100.08455	3.4
100.11270	5.7
103.05454	2.6
105.06998	1.3
107.04980	1.3
107.08662	1.3
109.10178	2.6
110.09682	1.2
111.04408	1.2
112.07610	1.4
112.11261	2.4
116.07114	1.7
120.08115	86.0
121.10146	1.5
122.02715	1.0
123.04460	2.2
129.10265	2.3
130.06525	1.8
132.10236	3.3
132.46532	1.1
136.06163	6.1
136.07556	1.0
141.10117	1.1
150.06346	1.1
155.11847	1.2
157.13373	49.1
159.09253	1.4
163.03944	4.7
164.04308	3.1
166.08656	11.3
173.02376	2.2
174.02644	2.2
184.07349	2.8
185.12877	19.0
190.10948	6.4
191.11797	17.5
203.13870	1.2
216.07396	2.4
219.11354	7.6
225.57446	1.3
227.67621	1.3
234.13660	1.4
252.14722	1.8
259.13358	1.1
261.11273	5.6
262.11597	17.5
277.22934	2.4
279.17065	3.8
306.19238	2.2
311.11282	1.2
333.19052	1.8
350.21622	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	349.2739
Annotation	6-Pentadecylsalicylic acid
Peak:m/z	Relative Intensity
53.03957	0.9
55.05518	5.9
57.03446	1.4
57.07065	1.1
67.05509	6.2
69.07069	8.9
70.75486	1.1
70.75815	1.3
79.05479	4.0
81.07057	7.9
83.08626	3.7
91.05473	2.0
93.07047	4.6
95.04973	0.6
95.08620	7.3
97.06535	1.6
97.10165	1.1
98.20812	0.7
105.07037	3.2
107.08607	6.1
109.06535	9.3
109.10152	3.6
111.08066	1.4
119.08599	3.4
121.10159	4.1
122.07292	0.9
123.08076	66.2
123.11735	1.9
125.09655	1.0
133.10136	1.5
135.08035	4.3
135.11659	1.7
137.09641	4.0
145.10106	1.3
147.11734	1.7
149.09644	1.2
149.13242	2.2
159.11729	1.9
160.46797	0.6
161.13348	1.2
167.14223	0.8
177.12799	0.7
179.14328	4.2
180.16553	0.7
233.19008	0.7
275.20172	1.1
289.25256	0.9
293.21121	18.7
294.21298	0.6
303.26724	0.9
307.22662	1.2
331.26392	4.0
349.27405	100.0
350.27692	3.3
355.42532	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2739
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03932	0.5
55.05515	2.6
57.07082	5.4
67.05506	4.0
67.22694	0.4
69.07072	2.9
70.09876	2.0
71.05000	0.6
71.08638	2.2
74.86807	0.4
79.05511	2.7
81.07060	7.2
83.08601	0.7
85.06525	1.9
91.05486	2.8
93.07050	4.7
95.04962	1.6
95.08612	6.3
97.06503	0.8
97.10210	0.6
99.08073	1.8
105.07038	5.0
107.08570	3.7
109.06526	18.1
109.10146	2.1
111.08054	0.7
115.91068	0.4
117.07000	0.9
119.08588	4.3
121.06584	0.8
121.10160	4.4
122.07310	2.5
123.08076	25.1
123.11663	0.6
129.07002	0.8
131.08586	2.6
133.10104	2.8
135.08067	3.1
135.11699	1.2
137.09630	0.8
142.07764	0.5
143.08566	1.2
145.10133	2.4
147.11703	2.3
149.09627	0.6
149.13310	0.8
156.09325	0.8
157.10124	1.8
159.11699	1.6
161.09641	0.7
161.13248	0.7
165.12747	1.1
167.14305	0.5
169.10165	0.9
171.11708	1.2
173.13271	1.0
175.14812	1.1
175.38982	0.5
179.14319	100.0
180.14697	1.7
181.10220	0.6
183.11736	1.1
185.13184	0.8
187.14883	0.9
193.15912	2.0
194.10944	0.6
195.11685	0.8
199.14832	0.8
209.13382	0.6
239.18097	0.6
293.21332	0.9
331.26401	2.6
333.07721	0.5
349.27441	76.3
350.27789	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	349.274
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
54.43392	0.4
55.05517	6.6
57.07068	1.8
67.05509	5.8
69.06725	0.9
69.07072	10.6
69.07429	1.2
69.41470	0.4
70.80779	1.1
70.81154	1.1
71.05013	1.0
71.08614	0.7
72.64561	0.6
74.23264	0.5
79.05491	5.1
81.07066	8.7
83.04980	0.9
83.08604	3.7
85.06554	1.0
90.95259	0.5
91.05480	2.8
92.92742	0.6
93.07049	5.1
95.08619	7.3
97.06522	1.5
97.10172	0.9
105.07039	3.1
107.08606	5.3
109.06519	10.9
109.10177	3.6
111.08069	1.8
119.08591	4.4
121.06559	0.7
121.10182	3.4
121.10914	0.6
122.07295	1.1
123.08076	67.0
123.11686	1.4
124.08433	0.6
133.10135	2.0
135.08072	5.7
135.11667	2.2
137.09622	4.1
145.10136	0.9
147.11696	1.8
149.09578	1.3
149.13269	1.6
159.11716	1.6
161.13261	1.3
165.12784	0.6
167.14375	0.7
170.56856	0.6
173.13313	0.9
179.14330	13.0
184.76605	0.5
233.18991	0.6
247.20602	0.6
266.86032	0.5
275.20142	1.9
281.21188	0.8
289.25223	1.2
293.21130	16.4
307.22736	0.8
331.26404	3.3
349.27402	100.0
350.27704	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	349.2739
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03949	0.5
55.05518	2.7
57.06831	0.4
57.07078	5.0
60.82362	0.5
67.05512	3.6
69.07070	3.2
69.25946	3.7
71.04993	0.6
71.08640	2.2
79.05491	3.3
81.07053	6.4
83.04978	0.8
83.08633	1.0
85.06563	2.9
91.05499	2.5
92.17815	0.5
93.07049	2.8
95.04977	0.7
95.08616	6.3
97.06538	1.0
97.10166	1.0
98.20806	0.8
99.08103	1.7
105.07036	2.7
107.08601	3.1
109.06526	18.5
109.07278	0.9
109.10159	1.4
111.08083	0.9
119.08607	2.2
121.06577	0.7
121.10185	1.9
122.07302	1.3
123.08080	23.7
123.11790	0.7
131.08582	0.9
133.10135	1.1
135.08072	3.6
135.11679	0.8
136.12984	0.4
137.09610	0.7
142.86121	0.4
145.10161	1.0
147.11694	0.9
149.09599	0.7
149.13231	0.9
159.11765	0.9
161.13315	0.7
165.12773	0.9
167.14310	0.6
169.10226	0.5
174.19563	0.4
175.14844	0.8
179.14320	100.0
180.14645	1.2
185.13466	0.4
185.88885	0.5
193.15916	3.0
205.15855	0.5
267.66907	0.5
275.20111	0.8
293.21140	0.8
304.94916	0.4
325.73407	0.4
331.26297	3.2
349.27396	82.1
350.27808	1.9
356.49976	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.5
55.01881	3.2
55.05512	22.4
57.03423	3.4
57.07078	8.3
59.05009	2.9
60.85138	2.9
62.24359	2.7
65.03934	4.1
67.05515	42.8
69.03422	7.5
69.07069	19.6
71.04993	7.0
71.50890	3.8
71.51302	3.4
77.03924	4.5
79.05502	43.1
81.07056	58.8
83.04974	6.5
83.08617	9.2
91.05485	51.8
93.03503	3.0
93.07041	69.9
95.04975	31.7
95.08616	65.4
95.09192	2.0
97.06500	15.2
97.10165	2.9
103.05430	5.0
105.04501	4.6
105.07036	96.3
107.04979	4.3
107.08592	61.3
109.06555	14.3
109.10165	44.2
111.08078	4.1
115.05412	5.1
117.07039	19.1
119.08588	100.0
121.06497	8.1
121.10151	84.3
123.07338	3.1
123.08080	19.7
123.11722	24.3
128.06207	11.2
129.06999	18.6
130.07779	3.7
131.08569	55.0
133.10136	57.4
135.08049	13.6
135.11726	24.7
137.09605	5.8
137.13239	3.9
141.07018	4.8
142.07765	18.1
143.08572	37.3
144.09332	10.6
145.10124	57.3
146.07166	3.7
147.08035	10.7
147.11694	23.8
149.09648	8.3
149.13274	6.9
153.06960	5.0
155.08527	17.9
156.09372	12.0
157.10144	56.6
158.10962	3.3
159.07980	3.6
159.11728	24.6
161.09612	15.7
161.13245	12.8
163.72186	3.0
167.08585	8.2
168.09386	6.6
169.10155	25.8
170.10880	8.3
171.11705	25.7
172.12376	4.1
173.09583	7.1
173.13281	21.5
175.11134	7.6
175.14774	11.6
179.08598	10.5
179.14282	15.0
180.09323	5.3
181.10114	13.1
182.10928	4.2
183.11745	23.3
184.12451	5.6
185.09596	4.7
185.13229	17.8
187.11156	2.9
187.14832	24.0
193.10078	8.3
194.10899	10.6
195.11723	18.4
196.12383	6.2
197.13335	15.2
199.11060	4.8
199.14845	10.3
201.16315	6.2
206.11017	3.4
207.11774	6.5
208.12408	4.1
209.13254	23.9
211.14929	14.3
213.12871	3.2
213.16443	9.3
221.13234	5.7
223.14803	9.0
225.16461	6.6
227.14320	15.9
235.14764	4.0
237.16296	6.9
239.17929	9.2
251.18118	5.6
255.17525	3.6
265.19559	8.5
266.20184	4.6
275.20370	4.7
279.17554	4.8
293.18869	5.1
331.23932	5.7
349.24945	67.2
350.25443	3.8
374.52252	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	349.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.3
55.01876	4.8
55.05521	26.3
57.07084	4.6
65.03941	3.1
67.05507	38.3
69.03441	6.8
69.07069	27.9
71.04998	4.9
77.03937	4.1
77.90549	2.7
79.05496	43.2
81.07065	55.3
83.04982	4.2
83.08611	8.9
85.06556	3.9
91.05483	58.3
91.57182	2.8
93.07051	76.5
95.04986	35.0
95.08620	45.2
97.06538	14.2
98.20753	9.9
100.47169	3.1
103.05492	6.5
105.04524	3.5
105.07037	100.0
107.04984	3.4
107.08601	50.1
109.06526	23.8
109.10159	36.8
115.05488	3.4
117.07027	21.8
119.08588	86.0
119.09371	5.6
121.06513	10.4
121.10152	97.3
123.08081	39.3
123.11721	11.8
128.06239	9.4
129.07030	15.3
130.07785	8.4
131.08574	45.6
133.10147	52.6
135.08023	17.5
135.11713	15.8
137.09665	5.3
141.06987	7.3
142.07758	17.2
143.08575	31.4
144.09329	9.8
145.10135	64.7
147.08095	6.6
147.11696	19.6
149.09651	8.8
149.13171	4.8
155.08502	14.6
156.09370	10.8
157.10143	41.7
159.11688	28.8
161.09618	24.7
161.13304	7.7
163.11122	4.6
165.06982	4.2
167.08641	4.5
168.09300	6.3
169.10138	19.6
170.10907	7.5
171.11661	17.5
173.09650	5.5
173.13298	22.6
175.11189	4.7
175.14833	8.9
179.08588	9.8
179.14310	32.6
180.09415	4.9
181.10139	8.7
182.10893	8.9
183.11713	18.4
183.52802	4.5
185.13286	13.0
187.14830	21.3
194.10997	5.1
195.11732	13.4
196.12456	6.5
197.13281	12.8
199.14842	11.3
201.12741	4.9
201.16417	4.0
209.13240	21.6
210.13989	3.6
211.14828	11.3
213.16373	4.9
223.14876	6.9
229.10114	3.1
235.14919	3.7
237.16374	3.7
239.17946	11.1
247.14888	4.0
252.51677	3.2
253.19537	3.8
265.19653	4.9
275.20230	6.6
293.21375	6.6
349.25067	34.5
349.27539	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01852	0.6
55.05516	9.7
57.03443	17.0
57.07066	0.6
60.04508	1.4
67.05497	0.9
69.03417	0.7
69.07071	13.2
70.06596	3.1
70.53723	1.1
70.54063	1.0
71.05006	3.1
71.08607	0.9
72.08162	12.8
79.05495	8.0
81.03428	1.3
81.07063	29.5
83.04959	0.7
83.08591	2.6
84.08141	1.6
86.09681	2.7
89.03911	1.2
89.10799	5.0
91.05463	1.0
95.04985	0.7
97.06531	2.9
98.06034	0.9
99.04449	0.9
99.08101	56.4
100.08405	0.6
100.11254	6.7
103.05445	2.3
105.07012	0.9
109.10152	0.7
110.10441	1.2
111.04428	1.6
115.08714	1.5
117.03357	1.8
117.06966	1.0
117.81622	0.7
119.08553	1.0
120.08126	6.0
120.95879	0.6
121.08437	1.4
123.04422	0.7
130.34579	0.6
131.04951	5.2
133.02878	1.3
133.06538	0.7
134.06029	0.6
135.04448	4.0
135.76891	0.6
145.02835	4.6
145.06499	2.1
147.04378	2.7
149.06001	13.5
151.11134	0.7
157.06467	1.4
159.04445	5.0
161.02356	8.4
161.06033	0.9
163.03922	34.3
163.07541	2.3
163.64330	0.6
167.67645	0.6
173.02357	19.6
173.05930	3.6
174.13228	0.9
175.03935	0.8
177.05539	1.1
182.15407	1.6
185.05978	1.8
187.03903	0.8
187.07608	1.7
189.05467	4.8
191.08167	2.8
191.11780	1.0
199.08685	0.8
201.05469	5.9
202.08543	0.7
205.12283	1.8
209.16501	1.2
210.14886	2.0
215.07068	7.8
215.11821	2.4
227.17581	1.7
231.10164	0.9
233.11745	1.8
243.07924	0.6
243.11194	7.2
260.09998	1.0
261.11243	100.0
265.18112	0.6
271.10757	3.5
273.08237	0.7
276.72858	2.4
285.12299	2.3
285.24298	0.7
300.10452	0.7
303.13547	4.7
313.11768	4.5
331.12994	2.1
332.18555	5.3
339.40125	0.7
343.30600	1.4
349.21231	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	22.0
56.29893	5.1
59.05001	5.7
66.32468	4.4
67.05511	78.4
69.07060	13.2
69.15372	6.5
69.15778	50.3
70.71622	5.2
75.71629	4.5
79.05487	13.5
81.07054	33.7
83.05044	5.3
83.08623	15.9
85.06541	7.9
91.05461	12.5
93.07064	12.3
95.08607	15.5
97.06514	7.0
97.10172	12.7
105.07043	8.4
107.08561	14.1
109.10159	89.7
111.08046	5.7
119.08568	7.5
121.10169	6.2
125.09625	9.3
133.10158	8.1
137.09657	7.2
152.99655	6.2
153.09097	6.2
155.10674	48.9
173.11743	100.0
189.11176	8.5
189.57770	4.9
195.13799	10.5
277.21674	29.6
295.22705	14.0
338.86243	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	349.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24782	0.8
52.45697	0.7
53.03920	1.3
55.01865	1.3
55.05506	2.8
55.68162	0.7
56.55173	0.8
56.73778	0.7
57.03424	0.8
57.83348	0.8
67.05510	6.1
67.08664	0.7
69.03434	1.0
69.07063	2.9
70.02381	0.9
71.29164	1.8
72.08152	2.2
79.05498	6.4
81.03419	5.4
81.07058	8.1
83.04986	1.7
83.08614	1.5
91.05482	3.8
93.07056	4.7
94.63884	0.8
95.04986	2.1
95.08573	3.9
97.06528	1.1
97.10203	1.1
105.07006	4.4
107.04952	5.0
107.08589	4.7
109.02893	2.6
109.06549	1.7
109.10177	1.8
110.03634	0.9
117.07038	2.0
119.08582	3.6
121.06512	1.0
121.10124	1.4
123.04472	1.2
123.08024	1.4
125.09635	1.1
127.03915	2.2
131.08592	2.3
133.10156	1.7
135.08052	1.2
135.11731	0.9
143.08501	1.1
145.10184	2.6
147.04332	1.6
147.11681	1.6
147.33162	0.8
149.09648	1.4
159.11676	2.1
163.54779	0.8
167.48961	0.8
167.91780	0.7
169.10112	1.0
182.51109	0.8
185.13206	0.9
225.16306	0.8
249.20164	0.9
257.18982	0.8
273.18378	0.8
275.19952	2.3
331.15503	1.9
331.19406	0.8
349.19891	100.0
350.19864	1.7
350.23566	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.7
55.01868	1.7
55.05520	7.1
60.04509	1.4
67.05510	8.0
68.05033	9.2
69.03422	5.8
69.07069	3.7
70.06599	31.4
70.62997	3.3
71.04999	12.1
71.71882	1.6
72.08163	6.8
78.80396	1.2
79.05491	9.3
81.03436	1.9
81.07065	13.1
83.04980	8.7
83.08621	2.4
84.04517	1.7
84.08156	7.1
85.02912	2.6
85.06549	3.7
86.09693	5.1
87.04449	4.1
91.05495	11.4
93.07050	14.6
94.06571	3.2
95.04964	3.7
95.08617	35.3
96.08131	8.9
97.06540	77.3
98.06079	3.7
100.07629	11.1
100.22100	1.3
105.07045	24.8
107.04962	2.4
107.08607	25.5
108.08138	2.4
109.06531	15.2
109.10166	4.1
110.06066	2.3
110.09663	1.4
111.08060	1.8
113.05995	1.6
113.09655	37.0
114.04832	2.3
114.05545	27.4
116.07105	15.4
117.07011	3.1
118.06560	1.5
119.08597	17.1
120.08125	8.6
121.06520	2.0
121.10163	11.3
122.09647	4.0
123.08085	4.2
125.09630	3.8
128.07097	15.2
129.07022	3.6
129.10220	2.1
131.08568	16.5
133.10152	19.5
134.09692	3.2
135.08031	2.3
135.11691	7.1
136.07558	1.5
136.11226	6.8
136.36589	1.5
137.09639	6.4
140.07086	2.4
142.07706	3.1
142.08659	3.0
143.08560	4.0
144.09344	4.3
145.10136	6.4
146.09686	2.1
146.10794	1.6
147.08083	2.2
147.11694	18.5
148.11244	7.0
149.09628	6.1
151.06296	2.7
155.10680	100.0
156.09357	1.5
157.10158	16.8
159.11703	22.5
160.11246	3.2
162.12842	1.6
163.11133	2.7
164.07149	2.4
166.08672	3.5
168.10223	23.9
169.10234	1.5
171.11740	2.6
173.13274	5.9
174.12848	1.9
175.11206	23.8
175.14812	1.6
177.12759	2.1
178.08650	13.4
178.12248	1.7
186.05859	4.2
188.14317	1.7
189.12767	1.8
191.14433	3.8
192.10233	6.8
193.10945	1.7
194.11787	9.9
197.13324	3.2
202.15953	9.0
206.11821	4.0
207.13863	2.2
208.09712	2.7
209.11818	1.7
215.07123	1.9
215.14322	17.0
216.07352	2.4
232.04338	1.6
232.13336	2.3
233.15509	7.0
234.14857	1.6
246.14978	6.2
247.15683	11.6
248.16452	6.6
260.10089	3.0
260.20135	1.7
262.17905	1.9
274.14407	2.2
290.17520	11.0
305.19876	1.9
330.20782	5.5
348.21747	77.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.7
55.05502	6.3
57.07071	2.2
60.04514	2.7
61.50895	1.5
67.05490	4.6
68.05045	8.0
69.03432	2.6
69.07066	3.5
70.06264	2.0
70.06602	28.4
70.94024	3.6
70.94363	1.8
71.05000	8.3
72.08144	6.3
74.09328	1.7
79.05482	6.7
81.07063	11.3
83.05009	9.0
84.08144	5.8
85.02924	2.1
85.06543	2.4
86.05431	1.5
86.09717	3.8
91.05476	8.1
93.07039	12.0
95.04977	3.9
95.08617	32.4
96.08133	7.1
97.06535	68.0
98.06044	3.9
100.07612	6.5
105.07043	20.7
107.04961	2.5
107.08611	18.4
108.11145	1.5
109.06505	14.4
109.10159	4.3
110.06071	2.5
110.07182	2.2
113.09659	33.9
114.05537	24.4
116.07088	13.1
117.07031	2.0
119.08577	15.3
119.79214	1.3
120.08113	6.1
120.29475	1.4
120.88999	1.5
121.10169	9.7
122.09707	2.7
123.08060	4.0
125.09624	4.0
128.07092	13.1
129.10210	3.1
131.08575	13.7
133.10147	16.1
134.09673	2.2
135.08087	2.7
135.11667	8.1
136.11208	6.9
137.09636	5.1
140.07040	1.5
142.07709	2.5
142.08669	3.5
143.08524	1.9
144.09322	3.0
145.10098	5.2
146.09650	1.8
147.11685	17.9
148.11172	3.9
149.09641	3.3
149.13200	1.9
151.06314	2.0
151.07510	2.0
155.10677	100.0
156.11145	2.0
157.10132	10.5
159.11700	20.3
160.11238	2.6
163.11182	2.2
166.08635	4.5
168.10185	22.6
173.13274	3.8
175.11240	19.3
175.12598	2.6
177.12784	3.3
178.08667	12.9
182.08064	1.8
187.10843	2.1
187.14851	2.5
189.12743	2.0
191.14322	2.0
192.10210	4.3
193.10970	2.0
194.11775	9.5
197.13300	3.1
202.15961	6.0
206.11754	2.0
206.79494	1.7
207.13818	2.2
208.09763	2.7
211.45963	1.8
215.14317	13.7
232.13408	1.8
233.15398	6.2
245.48755	1.6
246.14923	7.2
247.15753	5.4
248.16397	9.2
290.17484	11.3
330.20850	4.6
348.21744	82.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2173
Annotation	CHEBI:69895
Peak:m/z	Relative Intensity
53.03938	2.5
55.05512	4.4
56.05032	1.7
58.06582	0.7
59.68114	0.6
60.04529	1.1
67.05495	2.7
68.05039	3.4
69.03439	2.0
69.07069	3.0
70.04538	1.5
70.04961	1.7
70.06596	18.2
70.30714	0.7
71.04994	3.2
72.05323	0.7
72.08162	13.1
74.06071	1.3
79.05511	3.9
81.03422	6.4
81.07066	3.7
82.06572	1.4
83.04989	9.3
83.08621	1.7
84.04496	2.2
84.08150	6.4
85.02903	2.6
85.06530	0.8
85.59061	0.6
86.09717	5.8
87.10040	0.9
91.05473	6.4
93.07055	9.7
94.06566	2.1
95.04997	3.8
95.08633	3.3
96.08120	2.0
97.02906	0.8
97.06537	1.4
98.06062	4.6
98.20802	0.8
99.04473	1.5
100.07615	3.2
102.05538	0.7
103.05472	1.6
105.07038	9.1
107.04950	1.2
107.08599	9.1
109.06521	3.9
109.10167	1.4
110.06046	8.0
110.09676	1.3
112.07593	0.6
112.11232	1.2
113.02353	0.8
113.09647	1.0
114.05556	9.6
116.06313	0.7
116.07086	2.7
117.07047	1.7
117.11860	0.8
118.06567	0.6
119.04938	0.9
119.08605	4.5
120.08120	9.8
121.06494	2.4
121.10143	5.9
122.06027	1.3
123.04435	1.0
123.08059	1.9
125.09646	3.3
127.03924	2.6
128.07088	1.7
129.07025	1.2
129.10246	2.9
129.50087	0.7
130.05013	1.7
130.06549	2.0
131.08583	3.6
133.06523	1.6
133.10138	8.0
134.09660	2.8
135.08067	0.9
135.11678	0.7
136.07623	1.5
136.11176	0.7
137.05962	0.8
140.07083	1.5
142.07713	0.8
144.06667	1.0
144.08101	1.9
144.09305	1.5
145.05040	1.6
145.10124	2.2
146.09557	0.9
147.11682	2.7
148.11211	3.8
149.09601	7.5
151.06314	1.8
151.07573	3.3
156.08104	1.3
157.10121	1.7
158.06024	1.2
158.09558	0.8
159.08076	2.1
159.11717	6.0
160.11250	1.5
161.13300	1.1
162.09157	3.9
164.07089	0.9
165.00130	0.7
166.08665	2.8
167.10684	5.9
168.10233	1.3
171.14874	0.9
172.07448	0.6
173.13123	1.9
174.12825	1.1
175.11176	5.8
177.12796	1.6
178.08632	6.8
179.99159	1.1
180.10233	2.5
182.11765	2.3
186.03770	2.3
187.06270	1.0
187.14827	0.8
189.12833	1.3
190.08664	1.2
191.14415	1.6
192.10217	2.7
193.10980	3.9
193.15991	0.6
194.11761	1.0
197.13220	0.7
199.14636	1.2
201.12402	2.1
202.15964	4.1
204.04883	2.9
204.10258	1.5
206.11934	0.9
206.99323	1.1
207.98480	3.8
208.09682	12.4
210.00226	0.8
213.12376	0.8
215.14276	2.7
218.02579	0.9
222.00304	2.2
230.11833	1.2
232.04323	2.6
232.13321	1.4
233.15375	23.0
246.14874	2.0
247.15694	5.4
248.12822	0.8
248.16469	7.6
249.04242	1.0
249.12411	0.9
260.03790	11.8
264.15945	1.2
279.06110	1.0
290.17493	9.2
291.45413	0.7
299.37726	0.8
302.13068	4.9
302.21097	1.4
303.10135	0.7
312.19443	1.2
330.16870	1.3
330.20657	14.0
348.13458	13.7
348.21719	100.0
349.22006	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	348.217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96996	1.6
55.01875	1.9
55.05515	9.3
57.32003	1.5
67.05513	12.0
68.05042	8.5
68.50881	1.6
69.03432	7.0
69.07070	6.9
70.06598	36.4
70.89216	2.5
71.05000	11.3
72.08159	11.3
73.70853	1.6
79.05500	11.5
79.56133	2.0
81.03436	3.3
81.07060	16.6
83.04991	7.2
83.08629	5.3
84.04490	1.9
84.08162	5.6
85.02924	3.7
85.06571	1.8
86.09727	6.9
87.04487	7.0
89.10812	2.9
91.05485	10.1
93.07048	15.7
95.05006	4.1
95.08615	31.5
96.08130	11.7
97.06536	87.7
98.06079	4.8
98.06885	4.0
100.07610	10.5
100.11262	3.3
103.05473	1.9
105.07037	26.3
105.92486	1.7
107.04985	4.2
107.08601	24.2
107.09232	2.4
108.08147	2.3
109.06525	16.5
109.07172	1.7
109.10154	4.3
110.06072	1.8
112.07633	4.2
113.09654	38.3
114.05531	29.8
116.07088	18.0
117.07041	4.9
119.08584	17.9
120.08096	8.6
121.06506	2.6
121.10139	10.6
122.09700	3.4
123.08096	4.9
125.09653	3.1
126.16790	1.7
128.07074	16.2
129.07045	2.8
129.10260	2.2
131.08580	21.9
133.09186	2.9
133.10127	16.6
134.09709	4.1
135.11743	7.1
136.11252	8.1
137.09651	3.1
140.07115	3.8
142.07837	5.4
144.09349	2.8
145.10133	8.9
147.08118	2.2
147.11690	22.8
148.11234	8.2
149.09669	5.0
149.12114	2.6
149.13310	2.7
151.06305	4.0
151.11218	2.6
155.10672	97.6
157.10138	19.2
159.11694	25.1
160.11185	4.1
161.13354	2.1
163.03903	1.8
163.11217	2.7
166.08650	2.6
168.10213	27.6
171.11693	3.2
173.13318	3.4
174.02817	3.6
174.12805	3.0
175.11195	25.8
178.08647	15.3
180.10249	2.9
187.14830	2.8
188.14433	2.0
189.05545	7.0
189.12749	3.4
190.05789	8.6
191.14316	3.7
192.10271	6.5
194.11757	9.0
197.13336	3.0
199.15034	2.0
200.14377	1.9
202.15997	7.8
202.73451	1.9
206.11830	4.4
208.09886	2.2
210.15070	2.2
215.07141	6.0
215.14326	20.3
216.07329	9.1
216.17589	1.9
217.16045	2.4
220.13541	1.7
233.15501	5.4
234.15161	3.0
246.15019	6.8
247.15764	7.0
248.16573	5.0
258.20963	1.8
259.09851	2.9
260.10071	12.1
262.14435	3.3
262.17804	1.7
290.17545	11.8
302.21085	1.7
305.19449	2.6
330.20758	4.4
348.21817	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05477	1.4
56.05006	0.9
67.05476	0.7
68.04991	1.8
69.03386	1.4
70.06603	5.0
71.04955	1.2
71.49344	0.8
72.08163	12.9
74.06022	0.7
81.03379	0.8
81.07018	1.2
84.04443	2.5
84.08085	2.1
85.02885	1.3
85.06529	1.4
86.09711	3.7
91.05444	1.5
92.22691	0.7
93.07003	1.3
94.06608	0.8
95.01299	0.8
97.02882	0.8
98.05972	2.2
99.04411	1.0
103.05463	0.7
104.11646	0.6
105.06993	1.3
107.08579	1.0
110.06010	0.9
110.09615	0.9
110.98958	0.8
112.08683	0.8
113.02326	2.1
115.05404	3.0
115.08630	2.1
116.07012	1.0
119.08562	1.0
120.07394	0.7
120.08113	6.7
121.06490	0.7
121.10134	0.9
127.03927	7.6
129.10252	1.2
130.06505	1.1
131.08548	2.3
133.10098	0.7
137.00528	2.6
142.06511	0.9
143.07259	2.2
145.04906	3.5
149.09544	1.7
151.07487	1.0
156.04463	0.9
157.05185	2.0
158.05934	0.8
159.02618	4.5
159.06744	1.7
162.03673	2.7
165.00078	7.1
166.00797	3.0
166.08629	1.1
167.10655	0.9
168.99588	1.1
169.05273	3.3
170.06020	3.8
171.06766	2.9
171.14923	3.1
173.12849	1.8
174.05518	3.4
175.02147	0.9
176.05257	3.1
177.03670	1.6
185.04774	0.9
186.03758	24.9
186.05447	2.5
187.02184	5.0
187.06306	6.0
188.07091	1.0
190.03244	6.8
191.10750	1.1
192.01108	2.9
192.04770	4.4
199.06281	7.4
200.00592	0.7
201.12329	1.1
202.15796	0.9
203.05743	1.1
204.01224	0.8
204.04796	22.6
208.04309	1.7
208.09633	0.8
209.11702	1.6
214.03223	11.9
218.02765	5.3
219.03354	1.7
220.04219	0.9
224.20866	0.7
227.12769	1.6
232.04301	26.7
233.15439	1.6
234.05838	6.7
236.03758	3.0
260.03790	100.0
261.04031	1.7
289.83118	0.8
302.12857	1.3
331.11133	4.3
348.13831	75.0
348.21680	5.4
349.08609	0.7
349.13861	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.3
53.04184	1.9
53.94343	1.9
55.01874	3.4
55.05517	14.3
57.03418	3.9
57.07061	5.6
59.05005	3.1
60.16981	2.0
60.55491	1.9
67.05512	21.9
69.03425	9.0
69.07054	6.6
70.06124	2.1
70.06565	3.1
70.27769	1.8
70.57193	6.0
72.08160	3.2
72.10071	1.8
79.05499	24.6
81.03423	3.4
81.07058	42.5
81.13004	1.9
83.04987	10.1
83.08607	3.1
84.08144	5.0
85.06522	4.3
86.09677	1.9
91.05480	29.2
93.07052	53.0
95.04975	19.5
95.08610	18.1
97.06521	10.4
99.04399	1.8
103.05373	3.0
105.07040	35.4
107.04970	2.7
107.08607	48.1
109.06527	19.9
109.10159	22.0
111.08041	3.6
112.00029	2.0
116.06252	2.6
117.07024	4.3
119.08611	22.5
121.06529	20.1
121.10155	26.2
123.08082	42.3
123.11665	2.5
125.06004	17.7
125.09606	3.0
131.08563	26.5
133.06480	7.4
133.10146	12.9
135.08072	17.0
135.11737	3.4
137.06006	4.0
137.09612	9.3
139.07568	10.1
142.07755	4.6
143.08522	4.5
145.10136	12.9
147.08047	7.0
147.11638	8.2
149.09631	36.7
149.13260	2.4
151.07556	100.0
152.07745	2.7
157.10126	5.6
159.08083	6.5
159.11673	7.7
161.09622	9.6
161.13252	2.9
162.07037	2.0
163.11185	4.3
165.09128	6.7
167.07028	5.3
167.10681	29.1
169.10233	2.6
171.11679	6.1
173.09634	3.7
173.13280	7.7
175.11203	5.0
177.09105	9.0
177.12758	6.0
179.10703	2.0
181.08580	2.7
183.11670	3.1
185.08064	3.0
187.11153	4.3
187.14862	2.2
189.12767	34.1
191.10687	2.6
191.14316	4.4
192.11436	2.7
195.11737	3.4
197.13327	4.0
199.11295	3.2
199.14900	2.6
201.12778	3.5
201.16461	2.1
207.13815	59.4
208.14023	2.1
213.12724	2.4
215.14316	6.1
217.12206	2.3
219.13956	2.6
220.04373	2.1
221.15475	3.2
227.14102	2.2
233.15363	5.4
237.12869	2.2
237.14833	13.5
237.22319	2.0
243.13715	6.2
245.15471	3.6
247.16891	2.4
255.13892	5.3
265.15762	2.0
273.14661	12.7
275.46716	2.0
291.15900	6.7
311.19955	2.2
329.21179	13.8
329.24567	2.6
347.18283	25.2
347.22156	88.1
347.25793	7.2
348.18384	2.2
348.22589	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.1
56.05034	7.0
56.96530	1.1
57.03428	1.4
58.06592	2.9
60.04527	9.1
67.10287	1.0
69.07060	1.3
70.06594	10.9
70.99863	2.1
71.48915	1.3
71.49292	1.6
72.08158	100.0
73.01421	1.0
73.08485	3.4
74.02464	1.6
74.06081	21.9
82.99847	2.0
83.06109	6.5
84.04510	26.9
84.08148	45.4
85.02914	1.5
85.08482	1.0
86.06065	2.9
86.09708	47.9
87.05595	6.9
87.10061	1.1
91.02419	0.9
97.02924	1.2
98.09675	1.4
100.07624	9.7
101.00877	10.1
101.07146	13.5
101.10794	2.0
102.05528	3.1
106.05027	4.4
110.06026	4.1
110.09682	2.1
112.03988	1.8
112.07603	0.9
112.11252	1.3
113.00861	2.1
113.07121	1.5
115.02426	2.0
117.03967	1.2
118.08649	1.7
119.01934	11.7
126.12805	1.7
127.02432	1.2
127.08683	2.0
128.10718	4.0
129.06578	2.2
129.10246	26.2
130.05019	26.5
130.08623	2.6
131.01904	8.3
131.08192	1.4
133.03479	2.9
133.06075	11.2
136.06190	3.4
141.06621	1.1
142.12270	2.9
143.01906	34.1
143.11778	3.3
145.03484	5.5
145.09738	5.6
147.01384	1.8
147.03255	1.8
147.07651	28.9
147.11261	3.7
149.02937	7.0
154.04929	1.1
155.01926	2.9
155.08148	5.8
155.11769	1.3
157.03496	1.7
159.04985	1.8
161.02968	25.1
163.04669	1.2
172.15315	2.2
173.02989	3.7
173.09258	7.0
173.12868	23.9
175.00919	2.8
175.10783	22.7
177.02544	2.0
183.04926	1.1
183.11305	3.4
185.03058	1.5
185.06490	2.2
187.14433	33.1
189.02473	1.2
189.04117	1.1
189.12303	2.4
191.04013	1.7
196.14468	2.2
197.12891	1.7
199.08194	1.9
201.02512	2.3
201.06030	1.8
201.12402	4.8
203.00609	1.3
203.04008	12.3
209.12886	1.8
215.13925	10.1
217.01982	2.2
219.01808	1.4
219.03667	1.2
219.13509	1.4
221.04897	5.1
226.15573	1.6
227.00406	2.8
227.03979	2.1
228.17201	1.3
229.01971	1.7
231.03630	2.3
240.13467	1.4
245.01653	4.2
245.05078	3.2
254.15053	8.2
257.01556	2.9
257.05533	1.3
259.03015	3.7
273.00909	1.7
273.08228	1.5
277.04269	1.2
287.02557	3.3
287.06866	1.1
287.09619	5.5
301.11267	2.3
305.03494	4.2
315.01807	1.2
319.04901	1.1
329.18411	4.7
329.43390	1.1
347.08261	1.8
347.12231	3.6
347.23209	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	347.1319
Annotation	Nordercitin
Peak:m/z	Relative Intensity
55.05523	3.2
56.05045	3.2
61.02936	1.0
67.05526	0.9
69.03442	1.7
69.71182	3.1
70.02962	1.1
70.06596	9.1
71.05000	7.8
71.06138	0.9
71.33361	0.7
72.08167	11.2
73.08513	1.4
74.06094	8.2
79.50095	0.7
81.03425	1.5
82.46819	0.8
84.04525	2.3
84.08154	33.8
85.02941	3.2
85.08469	1.2
86.09713	13.8
86.10191	1.1
87.10062	2.2
91.05518	0.9
94.89722	0.8
96.51893	0.8
97.02920	1.9
98.09765	0.8
99.05601	1.9
101.00886	1.0
110.09707	1.9
111.10045	0.9
115.08723	1.4
119.01961	1.2
119.54667	0.8
120.08112	5.2
125.19662	0.7
127.03988	1.2
129.10249	13.5
130.08679	1.7
132.08127	1.1
137.06032	0.9
143.01991	0.9
143.03268	1.0
151.07651	1.0
159.09279	1.8
163.03883	1.0
167.06905	2.1
177.99699	2.6
178.99901	0.9
181.00163	0.8
185.04298	2.5
185.07886	8.9
187.08809	1.9
192.01299	1.2
193.22034	0.8
195.02327	1.0
199.08130	0.9
203.03598	1.5
203.05280	8.6
203.06883	0.8
205.99069	6.9
206.99376	4.6
208.00638	1.8
209.00986	1.1
220.00711	2.4
220.04286	0.8
221.00964	2.4
230.13017	1.1
241.09805	1.3
248.03935	1.1
249.87888	0.7
258.12637	0.8
259.02435	0.9
273.08392	0.8
277.06610	2.4
278.06860	1.0
285.13223	5.8
301.12607	64.3
302.13217	1.0
332.23236	1.1
343.69870	1.1
347.13239	100.0
348.13699	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	346.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48492	0.3
55.05503	1.2
56.05035	0.4
56.96567	0.3
57.03438	0.7
57.07084	7.7
59.05008	0.3
59.24711	0.4
67.05515	5.5
67.27823	0.3
68.05025	1.6
69.07058	1.0
70.06602	15.9
71.08641	4.1
72.08162	0.7
79.05501	2.0
81.07065	3.3
82.07407	0.4
83.06117	0.5
83.08624	0.7
84.08170	2.0
84.69220	0.3
85.10184	1.2
86.09719	1.0
88.07642	16.5
91.05473	1.4
93.07045	2.2
93.14383	0.3
95.06110	2.6
95.08618	2.2
97.06527	0.5
102.09188	1.1
105.07027	1.2
106.08699	2.4
107.08586	1.3
109.07645	1.3
109.10170	2.5
114.09189	6.0
117.07054	0.4
118.08689	1.3
119.08595	0.5
121.07636	7.8
121.10157	0.8
122.07946	0.4
123.11663	0.5
129.07034	0.5
130.08665	0.5
131.08482	0.6
132.10222	23.1
135.11700	0.9
138.10277	5.6
145.10144	0.4
150.11278	17.8
173.11807	0.9
187.14832	0.7
206.62651	0.6
229.14410	0.5
261.22177	0.9
270.27927	1.5
284.29608	1.7
287.13351	0.6
302.30527	5.8
305.14285	0.9
346.33203	100.0
347.33530	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	346.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	0.4
56.23360	0.2
57.07077	7.7
58.06600	1.6
60.04492	0.2
64.00519	0.2
68.05016	0.3
69.07061	0.4
69.34311	1.7
70.06596	17.6
71.08302	0.2
71.08635	2.7
72.08131	0.5
84.08137	0.3
85.10181	1.5
86.06043	0.3
86.09682	0.3
88.07636	23.5
89.07935	0.2
102.09185	14.4
132.10213	1.2
146.11726	1.0
150.11232	0.6
160.90999	0.2
195.36795	0.2
199.09634	0.2
228.93414	0.2
238.99542	0.2
240.26918	1.2
258.28091	0.6
284.29489	40.9
285.29871	0.6
319.65149	0.2
324.56168	0.2
328.32062	2.5
346.33173	100.0
347.33478	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	347.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91994	0.5
55.05507	1.9
56.05038	3.0
56.89809	0.5
56.96559	1.1
60.04528	6.1
60.05662	0.6
67.05515	1.2
68.18147	0.5
69.03445	1.3
69.07076	1.2
70.06590	5.9
70.99868	1.1
71.49512	0.7
72.07752	1.2
72.08157	21.4
72.78175	0.6
72.78642	0.7
73.02945	0.6
73.08492	0.9
74.06077	4.7
80.98358	0.5
82.99818	4.5
83.06107	1.1
84.04512	15.2
84.08152	33.1
85.02902	2.5
86.09712	28.5
86.10246	1.0
87.05608	4.6
88.77031	0.6
97.02922	1.5
100.07614	1.8
101.00887	24.0
101.07150	3.7
101.10793	1.2
102.00990	0.7
102.05541	1.6
103.02476	0.7
106.05060	1.1
107.04967	0.7
110.06062	0.8
110.07140	0.6
110.09702	0.8
112.07581	1.7
112.08741	0.6
112.11315	0.6
113.00873	3.3
115.02447	1.0
118.08655	1.7
118.24463	0.6
119.01933	20.6
120.02002	0.9
127.02416	1.3
127.08595	0.7
128.10718	3.1
129.06593	0.7
129.10257	19.1
130.05006	18.3
130.08630	1.6
131.01906	6.7
133.03499	1.9
133.06099	1.1
136.06175	1.2
137.02956	1.3
138.09155	0.8
139.02509	0.7
139.30434	0.7
140.07104	0.8
143.01907	100.0
144.02034	2.1
145.03491	4.1
145.09671	1.8
147.07651	21.7
147.11278	2.0
149.02998	0.8
155.01915	5.2
155.08154	1.3
155.11795	1.2
156.02652	1.5
157.03464	1.5
158.06689	0.9
161.02968	91.2
162.03127	2.2
169.03447	1.8
171.05032	0.8
173.02983	6.0
173.09328	1.3
173.12869	17.1
175.04472	0.7
175.10762	4.0
179.04002	0.8
183.05057	0.8
183.11282	1.8
184.04585	1.9
185.02950	1.5
185.06580	2.4
185.09242	1.1
187.04550	1.5
187.14441	2.6
189.06050	0.7
189.12335	0.7
197.06631	2.1
197.12889	0.7
197.16440	0.7
199.04552	0.8
199.08220	0.7
201.09671	0.9
201.12393	3.4
203.04027	49.7
204.04178	1.0
211.10852	0.8
215.04146	0.8
215.07654	1.0
215.13992	1.3
216.09879	1.0
220.06735	0.6
220.56694	0.6
221.02939	1.7
221.05009	8.7
221.06967	0.9
227.04033	2.1
227.07671	2.7
231.26793	0.8
234.10880	1.1
242.18649	1.3
245.05042	2.6
245.08763	1.5
254.15112	1.4
257.05063	0.9
257.08707	0.9
259.06589	0.7
260.16089	1.1
263.06155	0.9
275.09406	0.6
284.13351	0.8
287.09778	16.3
301.11441	1.4
303.05399	2.2
305.10773	2.7
317.07104	2.0
319.12350	1.0
329.07123	0.9
329.18130	1.5
330.16708	1.0
347.08038	3.8
347.12045	4.2
347.20148	0.7
347.23123	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	346.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	24.0
67.05523	90.5
70.04237	44.4
79.05493	33.3
81.07067	24.3
83.08620	18.3
84.19503	11.7
84.61444	11.1
91.05489	23.9
93.07089	13.0
95.08635	20.1
96.53195	10.3
97.10166	18.6
105.07050	19.8
107.08602	32.5
109.10168	71.5
119.08698	11.4
121.10188	14.6
125.09697	14.3
133.10167	15.6
145.10049	14.8
155.10651	62.5
159.11768	11.5
159.56981	10.4
173.11777	100.0
189.11276	22.1
275.20062	42.1
303.19461	10.6
358.98352	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	346.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.1
56.05033	3.5
60.04533	0.7
68.05028	0.9
69.03446	1.2
69.07074	4.3
70.02960	0.6
70.06599	15.0
71.04984	1.3
71.25392	1.1
72.08157	13.2
73.08482	0.6
74.06087	5.4
81.83810	0.7
82.06593	1.8
84.04515	1.6
84.07638	1.1
84.08146	20.2
85.02900	2.2
86.09709	100.0
87.10062	1.5
88.03982	0.9
88.05510	0.6
91.05479	0.7
91.60013	0.6
92.43275	0.6
95.06108	0.7
97.02898	1.2
98.09690	1.4
99.09221	0.8
101.07114	0.6
102.05575	0.9
107.04961	1.7
109.02878	0.7
110.09692	10.3
112.08716	0.8
112.11234	0.7
115.08718	1.0
116.07138	1.0
120.06609	1.8
120.08121	1.0
124.11260	6.0
127.12292	0.9
129.10258	8.8
130.05042	1.2
130.08614	1.0
136.02180	2.8
137.05981	4.3
138.06332	2.4
138.61867	0.7
146.00630	0.8
147.04373	0.7
147.11426	1.0
148.02138	0.7
150.00093	1.6
152.01608	0.7
153.10233	1.6
164.01717	1.8
174.00180	0.8
177.99605	17.3
180.01151	1.3
187.10852	0.9
192.01131	7.1
195.02272	2.6
197.04758	1.8
199.18066	25.1
204.01060	0.7
204.99507	1.3
205.99083	53.6
208.00648	10.3
215.13943	3.0
220.00647	32.7
223.01697	2.1
227.17517	9.3
230.02730	2.9
232.00671	1.2
233.14998	2.2
235.01799	1.9
248.03728	1.0
249.06955	2.6
258.02179	2.5
277.06451	12.7
291.07922	2.6
301.12643	2.9
328.22256	2.1
329.09457	0.8
346.12210	70.5
347.13593	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2341
Annotation	Thr Leu Ile
Peak:m/z	Relative Intensity
52.55684	0.3
55.05509	1.5
56.05042	7.8
58.06606	4.1
62.19075	0.3
67.05503	2.2
68.05049	0.4
68.47291	0.4
69.03436	0.4
69.07072	7.1
70.06599	4.1
71.49947	0.3
72.07807	0.5
72.08167	7.0
73.04063	1.8
74.06084	23.2
79.05490	1.3
81.07050	1.6
82.06602	0.4
84.04511	6.4
84.08154	3.1
86.06087	1.9
86.09711	54.2
87.04482	0.7
87.10042	0.5
88.04002	0.4
89.10864	0.5
91.05492	1.4
93.07056	0.8
95.04991	0.4
95.08631	1.0
96.08122	0.9
98.09714	1.7
101.07151	20.5
102.05518	0.8
105.07043	1.2
107.08597	0.8
109.10167	0.4
110.09714	2.1
112.07600	0.9
112.08752	0.4
112.11307	0.3
114.05547	4.2
114.09128	0.4
119.08568	0.5
120.08138	1.7
121.10155	0.4
122.09660	0.7
124.11227	3.2
126.09148	1.5
126.12812	2.2
129.10236	1.0
132.10196	2.2
137.05992	5.8
137.09705	0.5
138.05365	0.5
138.06335	4.0
142.05032	1.7
142.12277	10.9
143.11798	5.0
146.11771	0.9
147.04402	0.6
152.10703	0.5
160.06084	2.7
161.05952	0.4
169.06502	1.1
169.13376	1.5
170.06049	0.4
174.03792	0.4
175.03908	0.5
177.99631	1.0
187.14432	100.0
188.14671	0.7
189.05434	0.5
192.01105	0.4
197.06097	0.5
200.04697	0.8
205.99046	3.3
207.90701	0.4
208.00693	0.6
215.07076	2.4
215.13925	22.3
220.00638	1.6
230.02736	0.7
245.18645	1.5
258.02264	1.6
259.09644	2.7
277.06311	0.4
278.08917	0.4
286.11380	0.4
292.22687	0.7
310.23727	1.4
328.24661	1.0
329.15259	0.4
340.51596	0.4
346.12314	5.4
346.18753	0.8
346.25931	5.0
347.12396	0.7
347.19824	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2339
Annotation	Thr Leu Ile
Peak:m/z	Relative Intensity
50.59529	0.5
55.05507	1.2
56.04755	0.7
56.05037	9.5
57.03429	1.0
58.06605	4.2
62.73973	0.5
65.68720	0.5
67.05494	1.2
67.87872	0.5
68.05029	1.2
69.07058	1.7
69.16812	3.5
69.17226	1.6
70.06596	3.0
72.08174	2.8
73.73190	0.4
74.06084	26.2
76.02253	1.0
76.08498	0.5
79.05505	0.7
81.07059	1.6
82.06580	1.1
83.04948	0.6
83.08648	0.5
83.16647	0.6
84.04511	7.4
84.08144	2.2
86.06058	3.2
86.09712	59.8
87.05578	1.0
87.10063	0.8
93.07039	0.5
95.08571	0.9
96.08139	0.6
97.06539	1.6
98.09708	2.0
98.21541	1.1
100.07629	1.1
101.07151	20.2
109.06557	0.5
110.09678	0.9
117.29801	0.6
118.83689	0.5
122.02750	3.2
124.11222	1.7
126.09141	2.2
126.12810	2.5
129.10280	1.0
132.10187	2.5
137.13290	0.9
142.12282	10.8
143.11816	6.2
163.03984	1.1
169.13345	1.5
173.02415	0.9
177.99649	0.8
187.14432	100.0
188.14729	0.9
205.99057	3.2
207.13809	1.6
208.09976	0.5
215.07088	1.8
215.13930	26.5
220.00684	1.7
233.15024	2.0
245.18668	3.3
258.02240	0.8
259.09683	3.0
277.06317	0.7
310.23578	0.6
311.45795	0.6
346.12357	3.3
346.26031	1.2
347.11697	0.6
347.19684	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1975
Annotation	Val Leu Asp
Peak:m/z	Relative Intensity
55.05515	8.8
57.05819	1.2
58.72404	0.6
70.06574	0.7
70.11082	1.9
72.08160	99.5
78.80530	0.6
84.08150	1.2
86.09711	100.0
127.03864	0.7
128.43686	0.6
134.04515	1.6
185.16505	54.8
186.16719	1.4
188.11787	2.1
201.12344	0.7
213.16006	22.9
247.12938	12.3
346.17709	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1978
Annotation	Asp Val Leu
Peak:m/z	Relative Intensity
53.48106	0.7
55.05512	6.5
55.06954	0.7
55.73877	0.6
56.05024	0.6
56.90700	0.6
60.04515	0.6
69.07066	0.8
70.02953	1.6
70.06586	1.4
71.22649	1.6
72.08162	65.8
73.02918	1.6
78.83855	0.6
82.06589	5.5
84.08146	1.5
86.09715	30.8
88.04000	12.0
94.06549	0.8
96.08151	4.3
98.02428	3.9
98.09673	0.7
99.09206	4.1
100.04005	1.6
100.07623	0.8
118.08681	1.3
124.07613	3.2
127.08697	17.5
128.07100	3.5
132.10210	7.5
138.90778	0.7
141.10234	4.0
142.08650	25.8
142.09767	1.4
142.77983	0.7
152.06989	0.9
156.10228	2.0
169.09744	4.8
170.08167	3.4
183.11317	1.8
187.10799	100.0
188.11150	1.1
201.12360	20.9
205.99104	1.9
215.10295	19.8
229.11960	4.3
231.17078	1.1
294.26559	0.7
346.12234	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.7
55.05516	10.9
56.05036	1.3
57.05811	0.7
57.07067	0.6
60.04545	1.0
63.38042	0.6
67.05524	0.6
68.05009	0.6
69.07066	2.3
69.83926	1.1
69.84350	2.4
70.02975	3.0
70.03294	0.6
70.06596	7.3
72.08160	100.0
73.08516	0.9
73.25880	0.7
74.02451	1.0
75.83685	0.7
82.06579	4.4
83.04970	0.8
84.04519	1.9
84.08162	9.3
85.02912	1.3
85.04033	1.9
86.09711	30.8
87.05595	9.7
87.10023	0.9
88.04004	2.7
94.06548	0.6
95.05000	0.7
96.08130	4.6
98.02424	7.0
98.09679	0.9
98.21484	0.8
99.09191	3.3
100.07626	0.7
107.05042	0.7
108.23213	0.6
110.02426	4.5
112.07590	0.8
112.08778	0.9
112.11253	1.1
113.10793	1.3
115.05072	1.1
115.08702	1.0
116.07128	2.3
116.90235	0.6
118.08616	0.9
120.08111	1.3
121.06499	1.0
123.04507	1.0
123.91105	0.6
124.07594	4.8
127.08686	18.0
129.10252	3.2
130.08656	1.5
132.10190	4.4
136.07639	0.8
137.06033	2.8
138.09111	1.4
141.10233	23.6
147.04372	0.7
152.07082	3.2
155.11781	3.1
157.09766	1.1
157.13434	0.6
163.03966	0.8
166.08641	3.6
168.11304	0.9
169.09721	13.5
183.11360	3.1
186.12395	54.6
187.10783	3.4
197.09254	2.3
200.13976	10.5
201.12395	1.5
202.12646	0.7
205.99141	1.4
212.09276	2.0
214.11879	22.1
218.37788	0.7
220.00781	1.0
228.13414	3.3
229.11928	2.1
231.17110	2.4
232.14157	1.1
241.15482	1.5
246.14532	5.0
265.15616	1.2
274.10901	1.0
279.37665	0.6
282.18134	1.5
286.17734	0.8
311.16052	2.8
315.04980	1.0
327.20322	0.8
328.18936	1.2
345.09927	1.9
345.18268	1.7
345.22330	3.5
346.12265	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	17.3
58.99591	5.7
67.05531	0.6
68.05027	2.0
70.06595	1.6
70.62585	1.7
72.08144	1.4
76.03991	1.0
79.05471	0.7
80.04575	1.0
80.05022	14.7
81.07058	1.9
83.08622	11.7
84.04503	3.8
84.08126	0.6
86.06058	1.9
86.09710	0.8
86.99048	3.6
88.02201	1.3
96.04478	1.4
97.01083	0.7
102.00112	0.6
105.07066	0.8
107.08598	0.7
108.04473	4.1
114.03767	14.4
116.01685	16.1
120.48881	0.6
125.00574	0.9
136.03996	3.6
138.05620	0.6
139.05759	1.9
142.03229	100.0
143.03488	1.0
144.01141	5.1
144.04810	0.6
159.08394	14.3
162.02209	17.7
170.02722	32.3
199.05388	4.8
209.91136	0.6
211.07101	1.1
227.04802	4.5
242.12105	2.7
245.05930	16.0
262.11145	4.7
270.11603	1.8
272.08234	0.6
327.13571	0.7
345.14676	0.8
345.18439	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86655	1.3
53.95224	1.1
56.96565	3.4
58.99856	1.4
60.05632	3.0
68.05030	1.5
69.07066	2.2
70.06597	26.4
70.99856	1.5
71.48966	2.0
72.08163	14.8
75.54906	1.2
82.99869	1.7
84.04488	2.3
84.08147	10.2
86.06054	1.7
86.09715	64.0
97.06553	3.7
98.97596	2.1
100.02470	2.0
101.00880	16.5
103.39858	1.2
112.08736	6.3
112.11227	3.1
113.00860	1.6
115.08672	1.3
116.07096	3.0
118.03511	3.2
119.01939	21.8
122.07173	1.6
126.07622	1.6
128.07103	3.3
128.77449	1.4
128.98616	1.9
129.05547	1.6
129.10254	1.9
130.04948	2.2
131.01886	5.2
132.10194	2.3
133.03458	1.7
136.07576	2.1
137.02953	3.0
142.03555	1.4
142.07161	3.6
143.11774	2.2
144.08682	3.7
145.03468	2.9
146.99612	1.3
147.07703	1.8
147.11285	1.8
149.02971	2.9
154.03508	2.4
154.07144	1.9
155.01958	1.6
155.05516	1.5
156.99738	1.9
157.10931	1.9
158.09279	1.8
159.01463	1.4
160.08191	3.5
161.02869	1.7
162.09741	2.4
164.39063	1.2
168.08743	2.8
172.08192	14.4
173.06592	3.0
175.00893	11.5
175.11925	4.0
177.00931	3.1
183.14970	1.4
186.09767	30.5
186.99229	2.4
187.01093	1.6
189.02493	1.6
191.07603	2.1
193.02032	2.0
196.08096	1.7
197.06569	2.1
201.00934	4.6
204.10831	5.7
205.00250	2.5
208.10388	1.8
213.00865	1.7
214.09250	48.1
215.02448	1.6
215.07640	2.7
215.09476	1.5
219.01958	5.3
224.98857	1.7
225.00920	2.0
225.17203	1.9
232.10330	100.0
237.00931	2.7
240.14346	2.1
242.99849	5.3
243.02028	15.6
255.02013	11.1
257.01425	2.8
257.17194	4.3
261.03058	4.7
273.03122	5.0
275.02512	2.8
275.18146	2.8
285.03107	3.2
285.16583	17.0
303.01773	2.6
303.17676	74.8
304.17920	2.9
313.00443	2.0
321.18658	4.3
345.18826	1.9
345.22424	30.2
363.06003	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	28.6
57.07066	14.6
67.05513	63.1
69.07093	40.7
69.15627	87.6
70.06573	7.5
70.14835	7.6
71.04978	31.3
71.08630	10.7
79.05486	26.2
81.03425	9.5
81.07082	59.2
83.08630	18.3
88.07626	28.3
88.49327	7.5
91.05467	31.9
93.07043	49.7
95.04984	13.1
95.08610	54.7
97.06553	13.3
100.83630	7.4
105.07021	15.8
107.08595	23.7
109.06494	9.2
109.10181	61.5
119.08562	22.6
121.10110	20.2
123.11728	10.9
131.08582	12.1
135.11661	13.0
137.09619	24.1
145.10138	8.6
147.11713	13.8
149.13310	12.0
161.13228	13.3
173.11769	16.6
199.14830	8.4
249.22243	13.7
259.20621	11.9
261.99216	7.8
277.21680	100.0
295.22696	48.1
309.24289	40.8
315.05063	38.9
344.38235	72.1
345.09637	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	345.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
53.62919	0.7
55.01877	1.1
55.05517	20.0
55.08553	0.7
56.05030	0.7
58.99597	4.5
64.62613	0.7
67.05494	1.8
68.05025	1.8
69.03426	1.3
69.07061	1.0
69.60110	4.4
70.06609	3.4
72.08164	7.9
73.08505	1.1
76.04003	1.1
79.05475	0.9
80.05029	12.5
81.03430	1.1
81.07055	2.7
82.99831	0.7
83.08163	0.9
83.08626	13.2
84.04508	3.6
84.08131	2.0
86.06059	1.5
86.09715	6.7
86.99059	3.4
87.10033	1.8
88.02208	1.1
91.05480	1.5
93.07038	1.5
95.04977	0.9
95.08604	0.9
96.04485	1.5
97.01133	0.9
97.02892	1.1
97.06534	1.6
98.97591	1.9
100.31717	0.8
101.00880	6.4
105.07040	1.2
107.08644	1.2
108.04471	3.6
109.02865	1.0
109.06560	0.8
109.10135	2.0
113.00853	1.0
114.03770	16.5
116.01682	14.4
119.01940	6.8
120.08131	0.9
126.05569	0.8
127.03912	1.1
127.05761	0.8
131.01938	2.8
136.03961	4.0
137.05969	1.8
137.09657	3.6
139.05756	2.3
142.03233	100.0
143.01906	15.9
143.03595	1.0
144.01146	5.0
145.03529	1.3
155.01909	2.7
157.03418	1.0
158.99724	0.8
159.08408	13.2
161.02980	12.3
162.02197	18.0
165.09158	2.4
170.02727	35.4
173.02994	2.0
185.03011	1.7
185.16507	1.4
186.16895	1.0
199.05357	5.7
203.04001	3.4
204.06546	1.2
211.07260	1.3
214.08527	4.7
214.16379	1.0
221.05083	1.4
225.09802	3.0
227.04971	4.4
232.04712	0.8
242.12114	2.6
243.10812	2.1
245.05931	14.6
256.75879	0.7
257.08060	2.5
262.11078	4.4
270.11627	1.9
274.10782	1.2
300.07480	0.8
303.12842	2.5
315.05026	0.9
321.14127	0.8
327.13980	1.0
345.14352	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	344.2545
Annotation	Ile Val Ile
Peak:m/z	Relative Intensity
55.05317	0.6
55.05519	6.8
69.07073	0.7
69.44658	4.4
70.06603	1.5
72.08160	67.5
83.08623	0.8
84.08160	1.0
86.09712	100.0
89.03922	1.4
91.05487	2.1
95.04993	0.9
100.07616	1.1
100.11255	6.7
101.11581	3.5
112.11331	0.7
117.03394	7.0
119.04952	1.2
132.10226	3.1
145.02852	15.2
145.80360	0.7
149.05992	1.9
151.07602	2.6
155.93842	0.7
177.05486	24.2
185.16505	61.2
210.16962	0.9
213.16000	24.1
231.17050	5.7
299.93576	0.7
344.31021	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.6
55.01884	18.0
55.05519	62.1
57.03439	10.4
58.30469	8.3
65.75259	7.0
67.05511	100.0
69.03418	18.6
69.07082	41.1
69.35220	7.1
70.06590	27.4
71.04993	22.9
71.08614	10.7
72.08157	24.5
79.05502	72.1
81.03430	26.2
81.07070	87.4
83.04991	22.6
83.08614	46.1
85.02896	11.6
85.06519	10.3
86.09729	11.3
89.06045	8.2
91.05492	68.5
93.07058	65.5
95.04980	34.5
95.08613	78.3
97.02897	8.8
97.06536	9.1
97.10159	13.8
98.21537	17.8
99.08111	9.0
105.07072	45.2
107.04990	12.2
107.08628	54.0
109.06513	21.4
109.10154	30.2
111.08077	29.5
111.88049	7.1
117.07048	19.8
119.08613	37.3
121.10123	66.3
123.08154	15.0
128.06177	10.7
129.07019	9.3
131.08611	24.3
133.06441	10.8
133.10110	40.5
135.08095	10.4
135.11726	19.5
137.09599	13.6
139.11250	10.6
143.08598	11.4
145.10188	20.5
147.11754	12.8
149.09624	16.0
161.09650	13.5
163.11226	9.3
167.10674	9.9
168.21051	8.2
169.10104	10.2
173.13161	16.3
179.10762	14.6
182.23436	7.4
182.25281	9.2
228.78436	8.9
291.19589	10.0
314.07419	11.6
315.04855	23.8
344.12076	36.8
344.23587	10.0
345.09836	42.2
349.72842	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	344.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42131	0.4
53.97623	0.5
56.05040	0.7
56.15570	0.5
57.03422	1.1
61.02930	0.9
69.03426	3.3
70.06594	4.6
71.04967	0.5
72.08147	2.9
73.02923	0.7
79.92422	0.5
81.03416	1.4
84.04493	0.8
84.08161	2.6
85.02908	16.5
86.09712	3.1
87.40079	0.5
91.05489	5.2
93.73828	0.5
97.02904	3.6
98.20735	1.1
109.02881	2.2
112.32887	0.5
113.10646	0.5
116.07110	2.7
119.04948	18.9
123.04433	2.1
127.03918	3.0
137.06047	0.5
145.04968	3.4
147.04417	100.0
148.04742	0.9
162.02213	0.7
165.05486	49.0
170.06062	0.6
180.08725	1.6
201.12360	1.0
222.17564	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02634	0.8
56.05067	1.4
56.96557	0.9
61.13686	0.9
69.03434	3.4
69.07072	1.5
70.06625	13.2
70.06975	3.3
71.40547	0.8
72.08158	4.7
74.06064	1.8
83.06076	1.4
84.04505	2.0
84.08159	6.3
85.02892	3.0
86.09719	5.1
88.03970	1.1
88.92799	0.8
91.05495	1.8
97.02863	1.1
98.06067	2.8
98.20817	1.2
112.07623	19.5
112.11227	2.0
119.04940	2.4
120.06603	1.4
122.04608	1.7
123.04421	1.2
128.07079	2.0
129.10245	2.8
136.07561	1.9
140.05568	14.3
145.03461	1.8
147.04434	15.1
152.05643	1.9
157.05801	1.0
158.06645	53.6
159.06773	2.1
165.05466	6.1
170.06619	10.7
172.04538	1.4
174.04361	1.3
176.07690	15.4
182.94333	1.3
183.14995	1.9
186.04407	1.1
186.06024	1.2
188.07697	23.4
200.07678	1.1
207.09798	1.0
208.96042	1.1
210.61366	0.9
212.07678	3.1
215.05154	18.0
225.10876	13.1
226.09254	1.2
228.05515	1.2
228.10861	1.1
233.06216	43.4
236.11606	1.1
238.09270	17.2
239.12492	2.8
243.11980	4.0
251.12444	56.8
252.12720	1.5
256.10373	3.4
258.08203	1.4
263.12442	32.4
264.07144	1.5
269.13504	17.8
279.12036	1.0
281.13492	100.0
282.08316	2.8
282.13730	2.0
284.13922	1.2
298.12665	1.1
300.09351	1.6
304.15103	1.9
308.06049	1.2
326.07172	1.6
344.13010	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.3
54.95977	3.8
55.01871	7.4
55.05318	3.6
55.05517	45.3
57.03428	10.1
57.07066	18.1
67.05508	50.0
68.14960	3.6
69.03446	9.9
69.07072	21.7
71.04954	8.4
71.05289	5.5
79.05507	33.8
80.06263	4.2
81.03415	9.8
81.07062	40.5
83.04971	10.6
83.08628	20.7
84.02144	3.8
85.06541	8.1
91.05482	50.7
93.07047	64.5
94.07824	8.4
95.04979	100.0
95.08614	80.0
103.05487	7.6
105.07041	76.8
107.04949	6.0
107.08603	59.1
109.06538	37.5
109.10168	32.0
111.04430	9.7
112.05251	6.6
115.05447	9.1
117.07004	22.3
119.08570	25.1
121.06495	18.3
121.10128	22.0
123.08080	31.7
123.11710	5.7
128.06187	7.1
129.07005	9.1
130.07788	9.8
131.08594	13.3
133.06448	6.8
133.10164	20.9
135.08044	17.3
135.11641	20.2
137.05945	7.3
137.09650	18.0
142.07709	5.6
143.08607	12.3
145.10139	42.2
147.11729	10.3
151.07564	8.4
155.08617	7.3
157.10094	12.4
161.09589	9.1
163.11229	24.5
165.09085	5.6
165.12746	35.1
169.10086	6.1
173.13345	5.4
175.14781	4.5
178.26625	3.7
181.10101	5.8
181.12299	9.8
191.14323	5.0
191.39935	4.8
240.23280	10.2
283.26285	6.3
284.26639	43.8
343.22745	32.2
343.33920	24.0
343.37720	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.4
55.01858	5.8
55.05511	23.2
57.03437	10.1
57.07066	9.8
58.09954	1.9
59.04988	7.2
65.03930	3.2
67.05505	37.2
69.03423	12.3
69.07058	6.8
70.68429	4.0
70.68803	3.6
71.05002	19.5
79.05498	34.0
81.03411	5.4
81.07053	31.8
83.04978	6.5
83.08621	4.0
85.06525	5.3
91.05486	43.7
91.86868	2.1
93.07048	82.9
95.04977	65.0
95.08611	90.1
97.06519	15.3
103.05466	3.5
103.78830	1.8
105.04517	2.3
105.07034	100.0
107.04920	3.0
107.08595	56.8
108.05733	1.9
109.06519	19.6
109.10137	6.6
111.08078	2.2
115.05473	9.4
116.49136	1.7
117.07026	35.8
119.06091	2.6
119.08596	31.3
121.06506	22.8
121.10149	21.5
122.07303	2.8
123.08068	32.2
125.05985	3.7
128.06209	5.3
129.07011	9.7
130.07803	22.1
131.08574	16.2
133.06496	5.6
133.10149	18.3
135.08058	33.7
135.11667	15.8
137.05984	2.8
137.09625	8.7
141.06967	3.1
142.07758	3.3
143.08551	10.5
145.06506	3.0
145.10127	88.5
147.08043	19.6
147.11670	5.3
149.09619	8.4
151.07549	53.5
153.09137	3.6
155.08633	4.1
156.09322	3.8
157.10120	8.4
159.08047	3.5
159.11693	12.5
161.09622	11.4
161.13284	5.4
163.07590	2.2
163.11188	72.7
163.12570	4.1
165.09116	21.0
169.10109	4.0
171.11749	5.8
173.09669	5.7
173.13252	3.4
174.49269	1.9
175.11221	5.2
177.09142	6.9
179.07077	4.8
179.10683	3.5
181.10100	2.0
181.12267	2.3
185.09528	3.6
185.13312	3.5
187.11244	6.2
187.14867	2.0
189.09012	2.5
189.12764	9.7
191.10728	2.3
193.10120	2.5
195.11752	4.9
197.13300	4.5
199.11076	2.5
199.14772	2.1
201.12724	3.1
203.14369	8.9
207.10051	2.9
207.11856	3.9
207.13824	7.6
209.13283	2.5
209.15352	4.2
211.14786	2.8
213.12808	3.3
215.14368	3.8
221.13380	3.6
221.15367	31.0
225.16399	2.1
227.14308	3.1
231.13722	3.1
233.15341	2.8
240.23160	3.9
245.15489	2.5
259.16699	2.2
263.16516	8.1
269.15451	4.1
281.26532	2.3
286.19348	7.0
307.20203	2.8
325.21588	11.1
343.22714	89.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03956	10.2
55.01877	5.7
55.05502	17.3
55.98341	4.0
57.03430	10.7
57.07103	9.7
57.76193	4.3
59.04991	5.1
63.41690	4.1
67.05507	31.6
69.03435	16.0
69.07085	6.7
69.51420	30.4
71.04990	25.6
77.95320	4.3
79.05499	20.9
81.03468	4.2
81.07063	35.1
83.04979	8.0
91.05482	47.0
93.07050	85.8
95.04977	67.1
95.08611	81.6
97.06515	21.1
98.21479	6.8
105.07037	92.7
107.08600	59.0
109.06524	16.6
112.97032	4.0
115.05435	10.6
117.07025	32.7
119.08591	26.9
121.06527	23.8
121.10138	17.2
123.08080	34.6
128.06184	6.2
129.06958	7.9
130.07841	25.7
131.08585	6.9
133.06474	9.8
133.10167	21.1
135.08089	22.1
135.11690	20.6
137.06027	5.1
137.09637	7.3
142.07759	5.3
143.08537	17.1
145.06357	4.6
145.10143	100.0
147.08040	21.4
147.11685	8.1
151.07561	62.8
155.08554	5.3
156.09360	5.8
157.10147	18.5
159.08002	5.6
159.11674	12.4
161.09616	11.7
161.13275	4.9
163.11197	67.9
165.09096	20.0
169.10155	4.4
171.11681	10.4
173.09599	6.7
175.11130	6.1
177.09120	7.8
179.07002	7.1
183.11694	5.1
187.11182	4.8
189.12813	13.1
191.14427	4.8
197.13365	4.5
199.11189	6.3
203.14374	12.1
207.13898	7.5
209.09755	3.9
215.14262	5.4
221.15359	38.8
223.01605	4.1
223.14783	5.4
225.12737	4.6
263.16522	5.8
299.14465	4.9
325.21722	11.1
343.23071	92.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
52.58227	2.3
53.03941	7.3
55.01864	7.9
55.05515	21.1
56.84643	2.5
57.03435	8.7
57.07068	9.7
59.04986	8.5
65.03941	2.5
67.05178	3.7
67.05508	38.3
69.03426	11.8
69.07048	7.2
70.21666	6.7
71.04993	26.5
74.00464	2.4
79.05505	27.6
81.03421	4.5
81.07066	36.6
83.04974	4.7
85.06547	5.2
87.13018	2.4
91.05483	43.2
93.07043	82.5
95.04976	62.6
95.08618	98.0
97.06529	20.3
98.21407	3.2
103.05463	4.1
105.07035	92.7
107.04956	3.6
107.08598	70.5
109.06516	21.0
109.10195	5.7
114.02024	2.6
115.05453	11.1
117.07032	38.2
119.08583	37.3
121.06521	20.8
121.10140	21.6
122.07289	4.2
123.08076	28.7
125.06023	4.0
126.75620	2.8
128.06186	4.0
129.07036	9.3
130.07788	20.2
131.08574	11.9
133.06487	6.9
133.10149	20.6
135.08064	33.2
135.11696	21.5
137.06068	2.4
137.09650	7.5
142.07809	6.4
143.08583	13.1
145.06430	3.7
145.10130	99.5
147.08037	17.5
147.11678	8.1
149.09659	10.1
151.07558	59.5
151.08545	1.5
153.09109	4.7
155.08568	4.2
156.09367	4.0
157.10146	11.2
158.10878	3.1
159.08064	3.5
159.11717	10.1
161.09619	12.7
161.13261	4.1
163.07446	2.5
163.11186	78.1
164.11534	3.5
165.09120	22.6
169.10187	3.3
170.10860	3.5
171.11743	6.5
173.09627	6.6
173.13329	3.1
175.11188	9.8
177.09152	9.2
179.07034	5.7
179.08632	2.6
179.10641	2.6
181.10103	4.8
181.12111	2.9
183.11717	4.7
185.13327	4.1
187.11235	5.4
189.09004	3.4
189.12750	10.5
191.10809	3.9
191.14285	3.7
197.13354	5.8
203.06941	2.6
203.14360	10.5
207.10188	4.8
207.13875	7.3
209.13344	4.5
209.15289	5.0
211.15009	3.0
215.14268	3.7
221.15370	31.5
233.15356	4.4
243.13704	2.5
263.16614	8.9
269.15402	7.6
286.19250	6.3
299.20044	3.0
325.21762	11.5
343.22696	100.0
344.23160	5.0
359.75830	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	343.2271
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03938	6.9
55.01869	8.1
55.05515	19.1
57.03432	9.8
57.07070	8.6
59.05003	6.0
67.05507	24.0
69.03439	13.6
69.07071	4.9
70.75424	5.0
71.05000	28.2
79.05492	26.8
81.07069	32.7
83.04987	5.6
85.06551	7.0
87.77797	2.5
89.60875	2.3
91.05491	43.0
93.07056	82.6
95.04980	66.6
95.08619	100.0
97.06552	17.9
105.07043	97.5
107.04958	4.0
107.08612	65.2
109.06523	16.3
109.10166	7.0
115.05455	7.8
117.07042	37.1
119.08598	33.7
121.06516	22.9
121.10123	18.4
122.07249	3.9
123.08081	35.0
129.07004	8.3
130.07813	19.6
131.08586	12.2
133.06517	7.2
133.10158	19.1
135.08086	30.8
135.11716	16.6
137.09616	9.6
143.08577	12.3
145.10135	91.1
147.08069	15.1
147.11743	6.8
149.09602	7.2
151.07565	52.3
153.09088	5.2
155.08536	3.6
157.10150	12.0
159.08049	5.4
159.11703	9.0
161.09631	10.3
161.13268	5.7
163.11189	69.6
165.09096	19.7
169.10088	4.4
171.11771	5.0
173.09741	3.7
173.13264	4.6
175.11224	6.5
176.50713	2.6
177.09129	5.7
179.07083	5.9
182.10835	3.4
183.11740	5.4
183.87502	2.7
187.11238	4.0
187.14787	2.7
189.12747	11.4
191.10678	4.1
191.14229	4.1
195.11734	4.2
197.13251	4.9
199.11192	5.4
199.14828	2.6
201.12773	3.2
203.14391	11.3
207.10110	4.2
207.11882	2.8
207.13777	5.5
209.15417	5.3
211.14709	3.0
213.16440	3.6
215.14394	3.4
217.12192	2.8
221.15381	33.2
233.15355	5.8
263.16553	10.2
269.15427	5.0
286.19119	5.5
307.20551	3.1
325.21619	12.2
343.22717	85.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28100	0.9
55.79950	0.9
57.98780	1.4
58.99591	15.4
69.07063	1.2
70.06600	12.5
71.06438	1.8
71.06779	1.8
72.08175	5.2
76.02233	66.7
76.04003	2.2
82.06601	0.9
84.04490	1.2
84.08159	6.6
85.02866	1.0
86.09711	11.3
86.99045	4.4
88.02215	1.9
95.04980	20.1
110.07166	3.5
112.08704	1.0
116.00910	1.2
116.01694	20.1
116.07079	6.2
119.04981	1.6
121.06473	1.3
123.04436	100.0
129.10237	3.8
141.91003	0.9
144.01184	10.3
147.04399	3.7
152.73488	0.9
155.11830	0.9
162.02213	41.5
165.04169	1.9
165.05493	29.0
179.04865	66.5
196.06123	1.5
200.14032	1.1
227.55939	1.1
228.13417	3.2
230.11299	2.1
339.56281	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01869	1.2
55.05512	1.6
67.05499	0.8
69.97366	4.0
70.06606	7.5
71.05006	1.2
71.06948	1.2
72.08157	9.0
79.05489	2.3
81.07057	1.7
82.69236	0.8
83.04998	0.9
84.08139	3.7
85.02924	1.8
86.03181	1.0
86.09719	8.2
87.10045	0.9
89.06047	2.2
91.05479	7.6
93.07059	0.9
94.04190	4.0
95.04966	1.8
97.02918	0.9
98.06036	1.0
98.26990	0.9
103.05476	8.5
104.06270	2.7
105.07044	1.9
107.04954	2.9
107.08633	0.8
111.04499	0.9
113.03523	1.3
115.05457	7.3
116.07119	1.3
117.07066	4.0
119.08590	6.1
121.10159	0.9
122.03658	10.3
128.06194	1.7
129.07069	4.5
129.10248	1.4
131.04945	10.3
132.05737	8.7
135.08080	2.4
137.05992	100.0
138.06325	1.8
141.06999	2.7
143.04907	1.3
145.06511	0.9
147.08061	8.3
147.78070	0.8
157.06442	1.0
159.08020	1.6
160.05220	6.1
161.05997	3.3
163.07571	15.5
163.11197	1.2
163.13324	2.5
164.13661	3.3
169.06514	2.2
173.09641	1.3
175.07565	67.8
176.07961	1.3
185.16505	2.7
186.06810	3.2
187.07573	3.5
188.08472	1.3
201.09154	2.5
204.06357	2.4
205.10260	1.2
206.04324	1.9
207.05046	3.4
213.15961	1.4
233.09731	2.2
237.09126	1.1
246.18810	0.9
261.09097	1.1
293.11771	1.1
297.11603	0.8
307.09439	1.0
325.14383	10.2
334.64270	1.3
343.12564	19.3
343.16196	1.7
344.12830	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.43664	0.9
60.42801	1.1
71.49461	1.2
72.84107	1.2
81.98911	1.0
82.02019	1.0
98.97581	1.8
169.83209	1.0
177.00946	7.7
179.00774	1.1
182.99850	1.1
183.30312	1.0
198.97862	2.4
201.00974	1.9
216.98909	8.2
217.04140	1.2
219.02034	10.8
219.09070	1.0
220.02164	1.5
221.01775	1.2
222.97952	1.8
228.93985	0.9
234.99998	8.7
235.99962	1.1
240.98967	12.5
241.99191	1.1
243.02126	1.6
259.00012	37.6
260.00262	1.6
261.03082	14.3
262.03360	1.4
264.99039	3.8
273.98788	2.5
277.01068	14.9
283.00000	100.0
284.00226	6.6
300.98074	3.0
301.01056	88.6
302.01132	8.2
318.98654	1.7
319.02145	3.5
324.02588	1.5
325.01022	17.5
325.07181	1.2
326.01260	1.4
343.02136	71.8
344.02133	4.8
360.99741	1.2
361.03311	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81853	0.2
55.05521	2.0
57.07082	16.7
58.06601	0.2
60.08169	1.2
61.05042	0.2
62.06082	0.7
66.39493	0.2
66.78271	0.2
67.05513	3.0
67.17183	0.2
69.07070	3.2
69.36241	1.1
69.36652	0.4
71.07349	0.2
71.08637	8.7
72.08149	0.3
73.02921	2.2
79.05473	0.4
81.07058	2.9
83.08615	2.8
85.10191	3.9
86.09708	0.5
87.04468	0.7
93.07039	0.4
95.08614	3.9
97.06519	0.3
97.10167	1.4
98.24389	0.2
99.11751	0.2
109.10162	1.6
121.10116	0.4
123.11678	0.4
149.13315	0.3
155.75365	0.2
156.17455	0.2
168.42401	0.2
174.18552	0.9
212.23804	0.4
230.24841	0.7
283.26337	100.0
284.26715	1.5
342.33664	39.1
342.37405	17.4
343.33939	1.0
343.37881	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3205
Annotation	stellata-2,6,19-triene
Peak:m/z	Relative Intensity
55.05522	18.5
57.03420	5.1
57.07081	31.5
67.05185	1.8
67.05515	23.7
69.07076	33.3
69.20399	12.1
71.08636	19.8
77.03945	1.7
79.05499	13.8
81.07065	100.0
83.08621	17.5
85.10187	9.4
91.05440	9.0
93.07056	25.5
95.08617	69.1
97.10194	8.7
105.07032	24.2
107.04948	1.7
107.08601	35.5
109.10165	43.8
109.78090	1.3
111.11731	3.5
117.06985	2.3
119.08584	24.5
121.10152	29.1
123.11729	20.2
131.08574	6.1
133.10135	16.3
135.11713	16.6
137.13252	12.7
145.10139	9.1
147.11717	21.1
149.13274	19.3
151.14821	3.4
159.11696	8.2
161.13272	17.7
163.14810	13.8
165.16479	1.5
173.13274	8.9
175.14815	8.9
177.16411	8.6
177.88097	1.4
187.14827	3.5
189.16356	12.1
191.17947	6.2
201.16386	3.9
203.18004	14.6
205.19621	2.1
215.18013	7.3
217.19511	13.8
229.19490	3.4
229.26939	1.4
231.21078	5.4
243.21240	1.8
245.22722	4.2
257.22607	2.3
259.24170	3.1
271.24246	2.5
285.25687	1.8
290.18747	1.3
341.21191	2.5
341.26782	14.2
341.31653	57.7
341.36105	4.1
341.39581	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	342.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17108	1.5
55.01838	1.9
55.05515	10.7
56.05030	1.8
57.07079	14.8
57.65121	1.6
61.02928	2.4
67.05511	2.3
69.03432	4.7
69.07070	2.2
70.00861	1.7
70.06599	54.1
70.07179	2.1
70.18761	5.5
70.54772	1.6
72.08172	11.0
73.35532	2.1
79.05491	2.7
81.03423	2.4
83.08633	3.8
84.04502	4.4
84.08147	8.3
85.02911	18.5
85.44904	1.6
86.09718	22.5
89.06043	38.3
91.05515	2.5
95.06114	2.0
97.02892	4.1
97.06535	2.1
98.97572	2.2
99.04477	1.8
101.09673	17.0
103.05507	2.8
105.07022	2.6
107.07076	38.7
109.02907	1.8
112.11266	2.3
115.05473	1.8
116.25439	1.5
119.08555	2.6
120.83541	1.7
122.03639	2.7
127.03893	3.3
129.10307	2.5
131.04845	1.8
132.10252	2.1
137.05984	23.7
137.67422	1.6
145.05003	2.8
145.06491	4.3
145.10185	1.6
147.08089	3.1
163.07570	4.5
163.13310	100.0
175.07593	15.1
183.11353	2.6
183.14920	13.8
187.07501	2.5
188.08376	2.1
191.10631	1.6
210.02444	1.8
211.14449	6.1
222.66191	1.5
229.15425	2.6
245.18477	2.6
342.13354	2.7
342.19193	3.6
342.23688	2.6
343.12585	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	341.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.7
56.05036	0.8
56.96562	0.8
59.05005	100.0
61.02917	0.6
61.31691	0.6
65.03959	0.7
69.03420	0.7
69.07060	0.7
70.06596	8.5
71.49817	0.8
72.08158	7.5
73.06564	1.8
79.05510	1.5
81.03419	0.7
81.07047	1.1
83.05031	0.7
84.04518	1.1
84.08161	5.4
85.02908	0.9
86.09711	7.5
87.04491	2.6
89.06038	62.5
91.05502	2.3
93.07091	0.9
94.04221	0.8
95.05001	0.9
97.02905	1.0
97.06569	0.6
98.97617	0.9
103.05490	1.9
103.07587	61.4
104.07903	0.6
105.07058	2.5
107.05000	1.3
107.07053	0.9
110.07184	2.0
115.05488	0.9
116.06345	0.8
116.07129	1.2
117.09193	0.8
120.08158	0.7
121.10136	0.7
122.03683	1.2
129.07062	1.6
129.10275	2.1
131.00182	1.0
131.04970	1.9
131.07124	0.8
131.08595	0.8
133.02841	0.7
133.06529	2.4
133.08606	26.0
137.05994	15.9
147.03188	0.7
147.04424	1.4
147.08141	0.6
147.10179	13.3
147.11267	1.0
149.01234	0.9
149.05986	0.8
157.06525	0.6
159.08102	1.1
161.06007	4.1
163.03940	0.7
167.07120	1.6
172.05226	0.9
174.06909	0.8
175.07532	3.8
177.11284	3.7
178.05023	0.7
183.15010	1.7
187.07550	6.4
189.07091	0.8
189.09081	1.5
191.08632	1.2
199.28107	0.6
202.07887	0.9
203.08612	2.1
205.06639	1.1
213.12361	0.8
217.08684	1.9
219.08134	2.8
220.08780	1.0
221.09749	1.2
225.06686	1.4
228.05815	1.5
228.43498	0.7
231.08167	2.3
234.06851	0.8
247.07719	1.2
248.08409	1.3
249.09181	1.9
251.10878	1.6
259.07697	0.9
260.09177	2.5
263.10718	1.7
265.08691	1.9
276.07855	0.8
277.08740	1.3
279.10092	3.2
281.11874	1.3
291.10190	3.2
295.09933	0.8
297.11334	1.2
308.10492	0.8
309.11197	4.8
311.12881	2.9
323.12973	2.3
332.11118	0.9
332.62137	0.7
341.14011	3.3
341.21729	0.8
347.95087	0.6
359.03036	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65379	1.2
55.05513	2.0
56.05041	1.8
60.04516	1.4
61.02945	1.4
69.03437	2.8
69.04045	1.2
69.52246	8.6
70.06599	16.5
71.04981	1.7
72.08145	6.3
73.04752	3.5
74.54012	1.2
80.15869	1.1
84.04505	3.3
84.07699	1.7
84.08160	17.6
85.02901	1.9
86.09700	3.2
91.05856	2.6
93.06956	1.3
95.06116	2.8
95.85954	1.1
97.02930	1.3
98.06086	2.7
98.20766	2.4
100.10291	1.0
110.07162	5.8
112.07617	24.1
112.08736	1.5
112.11223	1.2
116.07091	2.4
119.01938	2.5
120.08133	3.2
121.08416	1.1
129.10271	3.2
130.08678	2.9
131.01869	1.3
133.03539	1.8
136.07619	4.3
137.06053	1.3
137.07877	3.0
140.05577	5.9
141.10202	1.4
145.03525	1.5
147.98151	1.2
151.50836	1.1
154.09697	1.1
158.06648	31.6
161.02924	1.7
169.03391	1.5
170.06668	6.3
176.07724	11.3
177.07936	2.1
179.03439	3.4
185.02968	1.5
188.07683	12.5
189.03445	1.6
194.09979	1.3
200.07663	1.5
201.06139	2.3
207.09796	1.6
210.10680	1.1
211.12016	2.0
212.07700	37.0
212.09601	2.5
224.11087	1.8
225.10847	12.2
228.14583	2.1
229.05371	1.7
230.08746	20.6
230.86697	1.2
238.09200	1.7
239.12468	2.5
243.11964	5.9
247.06825	1.5
251.12439	61.4
263.09821	1.9
263.12454	32.2
269.05524	1.7
269.13483	23.5
271.44867	1.2
281.13486	100.0
282.13788	2.2
297.12869	1.3
313.23361	2.1
341.03418	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	341.1388
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
53.03936	1.6
55.01867	2.0
55.05522	1.9
56.84310	1.4
69.03409	1.3
69.07065	2.1
69.95134	2.8
69.95547	4.0
70.06586	5.5
71.04980	3.6
72.08160	8.6
73.08488	1.2
79.05484	3.0
80.06299	1.5
81.03374	1.4
81.07056	2.3
84.08125	4.5
86.09706	3.2
87.04427	1.4
89.06021	4.0
89.21523	1.3
91.05447	7.4
93.07035	1.6
94.04179	3.6
95.05009	2.3
95.08593	1.5
102.04690	1.8
103.05466	3.0
105.07027	3.3
107.04963	2.8
109.06502	2.0
115.05428	2.4
117.07012	2.9
119.04938	3.6
121.06460	1.5
122.03653	7.3
128.06244	2.6
129.07036	6.7
130.04138	2.0
131.04927	3.2
131.08511	1.6
133.02838	7.2
133.06598	1.3
135.04439	3.7
137.05991	100.0
144.05710	3.6
145.06439	2.7
146.03668	2.1
147.04391	6.1
149.05984	5.3
150.06746	4.2
151.03851	2.7
151.07552	5.7
153.05504	1.9
157.06532	4.8
160.05269	3.2
161.06009	4.1
162.06793	8.8
163.07526	5.0
165.05508	3.1
172.05208	3.5
174.06796	6.6
175.07561	18.5
176.08386	1.3
177.05539	7.1
177.09088	2.4
178.07884	1.4
179.07098	4.1
185.22586	1.2
187.07567	30.1
189.07314	1.8
189.09128	14.0
191.06967	1.6
191.08606	3.3
196.05241	5.6
197.06084	1.4
199.07574	4.3
202.07794	5.2
203.08580	13.5
205.06490	3.3
205.08438	1.4
206.09004	1.5
206.15651	1.6
207.08046	1.8
208.45213	1.4
211.07556	17.1
212.04704	1.6
213.05519	4.7
217.08612	12.7
219.08051	8.1
220.08896	4.7
225.05515	1.8
227.07030	12.1
228.07875	2.3
231.08069	14.1
232.08900	3.1
233.05975	1.5
235.07567	3.0
236.08255	2.4
237.09073	2.5
239.07077	12.5
240.07860	12.5
241.05017	1.8
247.07556	5.7
248.08363	22.0
249.09123	2.1
251.10687	4.6
253.08636	1.6
254.09543	1.4
255.06488	8.3
256.07303	7.7
259.07556	6.7
260.08307	2.0
261.05396	1.6
261.09131	2.6
263.07535	2.1
263.10681	16.8
264.07919	3.1
265.08612	5.3
268.07263	4.2
270.08893	20.4
271.09671	42.3
276.07852	8.9
277.08664	3.4
277.16422	3.4
279.10199	8.0
280.10782	2.2
281.08121	1.8
281.11337	1.4
282.08966	2.2
283.09720	9.3
284.10303	1.6
291.06927	2.0
291.10153	49.0
292.10739	4.8
293.08054	5.3
295.17477	1.6
296.10452	5.5
297.11227	3.7
305.11841	2.0
308.10361	6.5
309.11041	2.8
311.12726	9.6
313.14404	2.6
323.09357	1.9
323.12820	30.2
341.10123	2.5
341.13809	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	341.1389
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.05511	2.1
56.05033	1.3
64.27682	1.0
67.05501	1.2
69.07072	1.2
70.06586	5.8
70.46171	2.6
71.05009	5.0
71.06937	1.0
72.08154	5.5
73.04765	1.3
79.05490	2.0
81.07054	1.7
84.08151	10.3
85.02920	2.5
86.09708	8.3
89.06008	1.3
91.05489	4.0
94.04191	4.9
97.02890	1.6
98.97593	1.7
103.05468	2.6
105.07005	1.3
107.04973	2.8
109.06522	1.9
110.07163	1.9
111.04457	1.3
115.05444	2.0
116.07114	1.3
117.07022	1.1
119.04928	2.2
120.08116	3.5
122.03642	7.4
123.04420	1.2
128.06213	2.1
129.07048	6.9
129.10245	2.9
131.04947	3.8
132.05763	1.2
133.02844	6.8
133.86179	1.1
137.05989	100.0
141.06909	1.0
143.04958	2.0
144.05679	2.8
145.06509	1.9
147.04419	1.7
149.01161	1.3
149.05998	3.3
151.03888	2.3
151.07559	5.8
153.05513	1.8
157.06567	4.8
160.05229	5.0
161.06018	2.9
162.03279	1.2
163.07532	2.5
165.05490	6.4
165.06720	1.0
167.07085	1.4
168.05833	1.2
171.08128	2.1
172.05257	3.9
174.06766	7.3
175.07562	18.2
177.05511	5.7
177.06866	1.3
177.09106	2.4
179.06996	4.2
184.05235	2.0
185.06027	2.1
187.07558	31.8
189.09093	12.4
190.07742	1.4
191.07042	1.4
191.08586	3.4
196.05289	7.0
197.05975	2.3
199.07552	2.5
202.07840	4.3
203.08638	12.7
205.06528	2.9
205.08476	1.6
208.08792	2.3
211.07541	19.2
213.05441	3.3
217.08577	14.3
219.08051	9.0
220.08818	7.3
223.07574	1.4
225.05391	1.8
225.08975	1.5
227.07069	13.5
228.05762	1.2
228.07780	3.4
231.08055	14.4
232.08792	3.8
233.06020	3.3
233.09599	1.5
235.07616	2.4
236.08376	3.3
237.09091	2.1
239.07059	12.2
240.07831	12.2
241.04915	1.7
241.08681	1.3
247.07480	6.9
248.08365	24.1
249.09134	2.1
251.10678	3.1
253.12282	1.3
254.09570	1.8
255.06575	10.6
256.07281	6.9
259.07492	6.7
260.08771	3.9
261.09094	2.8
262.09830	1.2
263.10681	22.9
264.07620	2.1
265.08493	6.1
266.09268	1.4
268.07288	4.3
269.08130	1.7
270.08887	21.3
271.09665	44.8
276.07809	8.6
277.08670	5.6
278.02802	1.3
278.05606	1.3
279.10184	10.9
280.10791	2.4
281.08362	2.0
281.11627	2.2
283.09692	10.0
291.10165	58.9
292.07977	1.0
292.10794	5.5
293.08191	6.4
293.11099	1.2
295.13214	1.9
296.10406	6.2
297.11221	3.7
305.11856	1.9
308.10461	7.9
311.12738	12.0
313.14337	2.4
323.12799	38.1
341.13913	23.6
341.25845	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2846
Annotation	N-oleoyl glycine
Peak:m/z	Relative Intensity
53.03932	0.8
55.05278	1.0
55.05516	18.6
56.05025	2.2
57.03425	1.5
57.07080	5.5
60.04531	32.2
60.67312	0.6
61.37640	0.6
67.05142	0.7
67.05511	13.9
69.03420	0.7
69.07071	24.6
70.05637	2.9
71.04991	1.2
71.08617	2.0
79.05492	4.2
81.06594	1.1
81.07063	18.3
83.04989	1.8
83.08624	18.2
84.08138	0.7
84.08951	0.8
91.05486	6.0
93.07040	5.2
95.06098	1.0
95.08615	16.5
97.06516	2.5
97.10173	9.6
99.08053	0.7
105.07028	2.5
107.08608	4.8
109.06505	0.9
109.10157	10.4
111.08055	1.0
111.11703	2.4
119.08601	5.2
121.10157	3.5
123.08049	1.3
123.11694	3.3
125.09660	1.3
125.13309	1.3
128.14342	1.1
133.10135	4.3
135.11707	2.9
137.09653	2.1
137.13252	1.7
139.11151	0.7
142.15915	12.1
147.11723	3.2
149.13242	1.4
151.11160	1.4
154.12268	5.4
156.17268	0.7
161.13258	1.3
163.14854	1.0
165.11034	0.8
165.12675	1.2
165.16391	0.8
169.83765	0.7
172.13353	3.5
175.14851	0.8
179.14366	0.9
182.19064	1.5
184.16942	1.2
240.38582	0.7
245.22636	3.2
263.23663	4.9
280.26389	14.1
293.23462	0.6
298.27432	14.0
322.27444	3.9
340.28503	100.0
341.29520	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	340.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.1
53.23208	0.7
55.01866	2.4
55.05517	3.1
63.12730	0.9
67.05515	6.5
67.35639	0.7
69.03461	0.9
69.07068	11.6
70.50229	0.8
70.50816	2.4
70.51171	0.9
71.04999	10.7
72.08154	1.5
79.05498	12.8
81.07060	3.3
83.04991	4.2
85.06543	9.5
86.09711	100.0
91.05483	9.1
93.07055	12.8
95.04978	3.9
95.08604	1.4
97.06549	2.0
99.08112	2.8
100.11254	3.3
105.07033	12.4
107.04943	4.4
107.08603	19.0
109.06526	3.1
111.04453	5.9
116.06314	0.9
117.07036	4.7
119.08583	11.8
121.06508	7.5
121.10146	10.2
123.04449	1.2
123.08092	1.6
127.03925	0.9
128.06235	1.1
128.10739	3.9
129.07024	2.7
130.07793	1.7
131.08574	24.1
132.10214	27.4
132.11188	1.7
135.04431	3.2
135.08029	1.1
135.11731	1.0
137.09624	4.3
145.06499	2.8
145.10123	13.7
147.08044	4.9
147.11690	2.1
149.02684	1.1
149.06003	1.5
149.09630	39.9
155.08643	1.0
156.10217	1.0
163.07581	2.6
163.11189	16.8
165.09094	5.5
165.12839	1.3
167.10692	45.8
173.09659	5.3
179.10680	1.2
191.10683	33.4
196.13464	1.2
206.15501	0.9
208.13300	1.0
209.11751	35.9
210.14832	5.4
220.13525	0.9
227.17542	1.4
238.14452	1.8
252.16061	2.4
256.15283	1.4
258.18527	2.6
276.19623	17.4
294.20648	11.3
304.19095	3.5
322.20245	11.8
340.21249	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2897
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
53.03935	1.6
55.01866	0.8
55.05518	40.7
55.16870	0.8
57.03444	20.4
57.07085	17.3
65.03963	0.9
67.05514	29.6
69.03420	1.1
69.07077	54.2
70.07400	1.1
71.04983	2.4
71.08648	7.6
71.50978	1.1
73.06555	1.0
79.05505	13.1
81.07069	34.2
82.07359	1.0
83.04979	1.5
83.08628	34.2
84.08945	1.1
85.06536	1.5
85.10209	5.1
91.05472	2.6
93.07048	13.1
95.04962	0.8
95.08614	34.7
96.08942	1.4
97.06540	5.3
97.10177	19.6
99.08093	1.7
101.06032	1.0
105.07029	1.8
107.08613	10.3
109.10172	13.3
110.10395	0.8
111.08076	2.3
111.11745	6.6
119.08589	2.0
121.10153	15.3
123.11713	4.8
125.09626	1.6
125.13277	1.0
133.10127	1.6
135.11707	10.7
137.13268	1.7
139.11174	2.4
145.10179	1.6
147.11650	0.9
149.13295	6.1
151.14861	1.3
157.10194	1.0
159.11743	0.8
161.13313	1.3
163.14798	2.6
165.16432	1.1
173.13249	1.2
177.16389	1.4
198.38551	0.7
205.19473	0.8
215.18079	0.8
221.54295	0.7
247.24321	3.5
252.21986	0.8
258.01303	0.7
265.25427	4.0
283.24448	0.8
322.31235	0.8
339.28949	100.0
340.29150	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2893
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
52.67745	1.1
53.03929	1.6
55.05513	47.9
57.03160	1.5
57.03440	22.8
57.07078	21.7
57.15219	0.9
64.27874	1.1
64.93256	1.0
65.03943	0.9
67.05508	33.8
69.07070	65.9
69.13910	2.0
69.14310	9.2
71.05011	2.0
71.08628	11.4
79.05498	15.5
81.07059	39.0
83.04987	1.7
83.08621	42.0
85.06532	1.9
85.10207	5.3
91.05478	3.4
93.07040	19.2
95.08610	37.4
97.06522	6.0
97.10178	26.3
98.21552	2.0
99.08100	1.9
105.07037	1.9
107.08592	11.4
109.10172	15.1
111.08086	4.0
111.11735	8.1
119.08560	2.0
121.10154	17.0
121.92005	1.0
123.11720	6.0
125.09644	2.3
133.10139	1.1
135.11696	14.4
137.13304	1.3
139.11183	2.6
149.13266	5.0
151.14738	1.3
153.12770	1.9
163.14832	2.6
165.16382	1.2
177.16423	1.4
184.21677	1.0
206.51341	1.0
218.58963	1.0
247.24289	4.3
247.45447	0.9
265.25351	6.0
339.28958	100.0
340.29617	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	339.1806
Annotation	2'-Hydroxyzearalanol
Peak:m/z	Relative Intensity
53.03955	0.5
55.01876	2.3
55.05524	4.3
57.03469	1.9
67.05510	6.8
67.05832	0.5
69.03461	1.2
69.07063	2.6
70.06619	1.0
71.05013	0.9
72.08156	2.5
79.05479	3.7
81.03461	0.9
81.07063	7.0
81.07452	0.6
83.05021	1.1
83.08635	0.8
84.08164	0.6
85.06573	1.6
91.05503	3.9
93.07055	5.2
95.04977	3.0
95.06113	0.5
95.08624	3.8
97.06551	1.2
97.10199	1.0
105.07024	2.3
107.05013	1.5
107.08619	2.3
109.02897	0.8
109.06526	4.3
109.10171	2.8
111.04485	1.1
111.08118	1.3
113.06039	3.6
113.39618	0.4
117.07047	1.6
119.05000	1.3
119.08633	1.9
121.06493	4.1
121.10201	1.5
123.04484	1.4
123.08129	1.3
125.05990	0.5
125.09686	1.3
127.03929	0.6
131.08630	1.7
132.07927	0.5
133.06566	0.5
133.10132	0.9
135.08119	1.8
135.11707	0.8
137.05995	9.5
137.09622	6.6
139.07607	0.9
139.11214	0.5
143.08600	0.8
145.02888	1.3
145.06528	1.0
145.10173	1.6
147.08083	1.3
149.06023	1.5
149.09662	0.8
149.13283	0.7
150.06865	0.6
151.11183	0.4
153.05499	1.8
153.09085	0.6
154.06261	0.8
155.07059	9.0
155.08284	0.8
157.10161	0.7
159.08138	0.8
159.11745	1.4
161.09668	0.7
163.03996	0.6
163.07556	7.0
164.04630	0.7
165.05600	2.2
165.06775	0.4
165.09192	1.1
166.06319	0.5
167.07077	0.9
169.10150	0.6
171.11670	0.5
173.09663	1.3
177.05481	5.1
179.07103	0.6
181.05022	0.7
181.08627	1.3
187.07593	0.6
187.11171	1.0
191.07051	19.6
191.08791	1.0
192.07816	3.7
193.08669	2.1
195.06575	1.9
199.11230	0.5
201.12822	0.6
201.16479	1.0
203.07085	1.2
205.08627	2.7
209.08095	3.9
210.08888	4.2
211.15031	0.5
219.10165	0.6
219.17567	0.5
221.08206	0.5
223.09709	1.5
229.15912	1.0
239.14331	0.5
247.17052	0.6
257.15381	0.5
275.16470	7.6
285.14954	1.9
293.17484	6.5
303.15924	49.2
304.16296	1.2
307.09433	0.5
321.16986	100.0
321.29105	1.7
322.17459	2.7
339.18048	58.8
340.18243	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	339.1079
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
55.01878	1.8
55.05495	3.2
55.43389	1.6
57.03875	1.5
65.03932	2.3
67.05513	1.9
69.07079	2.4
70.06604	13.8
71.49900	1.9
72.08156	8.8
78.59685	1.4
83.04993	1.7
84.04491	3.6
84.08167	8.2
86.09712	11.4
91.05492	16.7
93.07050	1.6
95.04974	1.3
95.08606	4.2
98.41151	1.3
105.07068	2.3
112.08704	1.9
119.04952	27.0
119.08543	2.1
120.08089	5.6
126.06657	6.0
129.10217	1.8
131.10651	2.7
133.10103	1.5
136.07678	1.5
137.06026	2.3
147.04424	100.0
161.05975	2.1
177.05525	6.6
190.05026	1.7
201.20760	1.5
203.05249	2.9
215.06802	1.6
224.13954	1.9
279.10068	1.5
307.09772	2.9
339.08850	1.6
339.13806	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	339.1079
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
50.59735	0.6
53.45362	0.7
56.00443	0.7
65.03960	0.8
67.05524	0.8
70.06590	2.2
70.28950	1.9
71.36912	0.8
72.08160	2.0
83.04980	1.1
84.04458	0.8
84.08154	1.8
86.09704	1.2
91.05491	11.9
94.91139	0.7
104.13734	0.8
110.07132	0.8
119.04959	24.2
128.44620	0.7
128.73299	0.7
142.13670	0.7
145.96788	0.7
146.27057	0.8
147.04425	100.0
148.04735	0.7
177.05438	1.3
196.31390	0.7
207.30026	0.7
219.02979	2.1
239.70779	0.7
261.03934	1.2
269.50378	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.0
55.01876	4.7
55.05513	16.1
57.03423	1.4
57.07048	3.3
60.08123	2.5
65.03915	2.1
67.05507	43.4
68.05796	0.9
68.34149	0.8
69.03410	0.9
69.07071	20.1
71.04977	0.8
71.08598	1.3
71.50492	1.0
71.50845	1.0
73.02913	5.9
79.05497	14.7
80.05783	0.7
81.03400	1.8
81.07061	37.7
82.07335	1.0
82.91573	0.7
83.04956	2.5
83.08620	8.1
85.06512	1.7
86.09647	1.0
91.05489	11.9
92.05794	0.9
93.07044	14.2
95.04919	2.1
95.06060	2.6
95.08608	23.9
97.06527	1.7
97.10157	1.6
99.03860	1.4
99.04459	18.7
99.08041	1.3
105.07042	7.8
107.08604	6.6
109.06527	0.8
109.10154	8.5
111.11742	1.0
112.08725	1.7
113.05968	2.4
119.08605	5.3
121.10158	5.6
123.08051	0.9
123.11675	1.9
131.08524	1.3
132.38481	0.8
133.10133	3.8
135.11691	3.9
137.13257	1.1
147.11688	3.8
149.09613	0.8
149.13269	1.7
153.09024	1.4
155.10706	0.8
157.12251	0.8
159.11673	1.0
159.19524	0.7
161.13254	1.8
167.14243	0.9
181.12164	0.7
183.13820	0.7
183.54509	0.7
197.15421	1.6
217.19537	1.4
237.90863	0.7
248.56596	0.8
279.23199	100.0
280.23508	2.0
283.17111	1.4
301.17624	0.8
338.30551	71.0
339.30759	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.0
56.05033	0.6
58.06597	0.6
59.04985	0.6
61.31819	0.5
63.24265	0.6
67.01878	0.7
70.03949	2.6
70.06590	2.6
72.08160	17.3
74.06094	3.4
83.06102	0.7
84.08147	3.6
86.09703	1.8
91.05488	7.8
97.74391	0.6
100.07616	2.0
104.05400	0.6
107.04957	0.8
110.06048	1.2
110.07179	1.0
113.00106	0.5
118.08657	5.7
119.04955	9.6
120.08102	3.2
121.06512	1.1
127.08739	0.6
129.10242	1.0
136.07587	100.0
137.07892	0.8
145.09718	3.3
160.57767	0.5
163.03847	0.5
166.08664	1.6
173.09236	2.1
193.09744	61.8
221.09213	9.1
239.11414	0.7
272.82126	0.6
281.15039	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.0
55.05519	8.7
57.07064	2.2
61.02943	1.4
63.25666	1.1
65.03938	1.5
67.05508	15.8
69.03432	4.0
69.07070	16.6
79.05508	9.5
81.03424	3.5
81.06593	1.9
81.07066	33.8
83.04977	1.2
83.08613	5.0
85.02911	3.4
91.05489	12.9
91.42645	1.1
93.07050	30.0
95.04977	4.5
95.08613	36.8
97.10166	4.3
103.03951	1.7
105.06523	0.8
105.07035	24.7
107.08601	30.0
109.06522	1.4
109.10173	22.6
111.11687	1.9
117.07025	5.7
119.08587	35.7
121.06539	1.8
121.10149	19.0
123.11720	9.3
128.06262	2.4
129.06996	3.3
131.08562	14.3
133.06493	1.4
133.10138	18.4
135.11688	14.5
137.13249	2.3
141.06966	2.3
142.07802	4.2
143.08588	10.9
144.09328	1.8
145.06493	1.7
145.10129	25.9
147.08051	1.8
147.11697	16.2
149.09552	1.4
149.13284	9.9
151.14841	1.3
155.08571	4.3
156.09317	3.6
157.10121	16.3
158.10915	3.2
159.08015	2.3
159.11708	23.8
160.88896	1.1
161.09648	2.3
161.13272	11.7
163.14830	4.1
167.08679	2.1
168.09297	1.3
169.10136	8.6
170.10872	1.2
171.08070	2.7
171.11713	14.4
172.83418	1.1
173.09653	3.1
173.13286	19.2
175.14847	11.1
177.16435	2.0
181.10133	3.2
182.10878	2.3
183.11717	8.6
185.09592	3.0
185.13289	13.2
187.11252	1.7
187.14832	12.9
189.16417	4.6
191.17834	1.3
193.10236	1.3
194.10944	1.4
195.11716	4.1
196.12514	1.9
197.09746	2.1
197.13304	7.8
199.11201	2.4
199.14839	12.0
201.12715	1.9
201.16377	7.4
203.17950	1.4
207.11711	2.7
209.13275	3.6
211.11276	1.1
211.14839	7.7
213.12680	1.8
213.16385	10.6
215.14323	1.7
215.17966	6.9
217.15863	1.9
217.19476	1.3
221.13206	1.5
223.14815	3.3
225.05518	1.1
225.12836	2.2
225.16420	4.7
227.14375	2.7
227.17932	9.6
229.15938	1.2
229.19550	6.5
237.16487	1.9
239.14182	1.2
239.18015	5.1
241.15904	2.8
241.19527	6.7
243.21089	3.6
253.19569	4.9
255.21117	3.4
267.21033	6.0
269.22601	2.8
277.19473	1.5
279.21182	2.4
281.19324	2.3
281.22681	9.7
283.16943	1.3
293.22638	1.9
295.20877	1.7
295.24261	3.0
309.25742	2.4
319.18985	2.2
319.24292	5.4
337.20547	5.4
337.25201	36.6
337.28915	100.0
338.25656	2.2
338.29376	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	337.274
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03940	2.2
55.01874	2.1
55.05518	43.4
57.03446	24.6
57.07084	6.5
65.03934	2.6
67.05514	79.1
69.07079	44.8
69.07467	1.3
70.80978	2.1
71.05001	2.3
71.08626	2.2
79.05499	21.1
81.07067	81.9
83.04970	3.3
83.08630	25.0
83.09121	1.3
85.06530	2.4
85.10196	1.1
91.05489	14.9
93.07062	20.8
93.40451	0.9
95.04948	1.6
95.08620	65.4
97.06542	4.5
97.10180	10.6
99.08088	1.7
105.07044	9.9
107.08610	12.1
109.06589	1.1
109.09478	1.7
109.10173	23.4
111.08095	2.2
111.11739	2.9
119.08586	8.2
121.10152	12.4
123.11713	9.0
133.10150	8.1
135.11702	6.0
137.13252	3.5
147.11717	5.5
149.13274	4.2
151.14824	2.1
161.13297	3.7
163.14833	2.8
165.12878	1.1
165.16313	1.3
175.14847	3.4
180.08463	1.1
189.16449	1.0
225.75085	0.9
239.57047	0.9
245.22757	3.2
254.09496	1.0
263.23730	4.4
311.03885	1.2
337.27414	100.0
338.27811	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	337.2738
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03939	3.1
55.05514	38.5
57.03442	22.1
57.07078	7.5
58.44800	0.9
65.03935	2.6
67.05510	81.6
69.07074	44.8
69.15920	7.3
71.04998	1.8
71.08633	2.1
78.39411	0.8
79.05499	20.1
81.07060	81.2
83.04978	1.0
83.08152	1.6
83.08623	24.8
85.06540	3.0
91.05489	12.4
93.06483	1.6
93.07051	23.4
95.04967	0.8
95.08611	59.9
97.06535	4.6
97.10169	11.8
99.08093	2.1
105.07044	12.1
107.08596	11.9
109.06580	0.9
109.10166	25.7
111.08091	2.3
111.11723	3.8
117.07138	1.0
119.08595	7.0
121.10146	10.5
123.08039	1.0
123.11726	11.3
125.09661	1.3
133.10143	7.5
135.11723	5.8
137.13280	5.2
139.11143	1.2
145.10132	1.3
147.11699	6.0
149.13258	4.8
151.11194	0.8
151.14816	1.8
153.12726	0.8
161.13252	4.3
163.14836	4.2
175.14835	3.6
177.16408	1.7
245.22632	2.8
263.23636	5.5
337.27383	100.0
338.27643	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2739
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
51.70626	0.7
53.03937	2.2
55.01867	1.6
55.05518	41.5
56.39638	0.7
57.03445	25.5
57.07088	5.1
61.59005	0.9
65.03934	3.2
67.05512	80.7
68.05843	0.8
68.83116	0.7
69.07076	44.3
70.58919	2.0
71.04974	2.0
71.08630	2.9
79.05502	25.6
81.07065	77.7
83.04972	2.1
83.08627	26.9
85.06549	2.7
85.21266	0.8
91.05486	15.1
93.06483	1.4
93.07053	21.3
95.04967	1.5
95.08618	64.9
96.08918	0.9
97.06563	5.0
97.10173	11.2
99.08093	1.4
105.07036	10.2
107.08611	10.4
109.10165	23.3
111.08078	2.6
111.11722	2.5
113.09609	1.5
119.08598	7.6
121.10153	8.1
123.08090	1.5
123.11724	10.5
125.09631	2.2
125.13263	1.1
133.10138	8.5
135.11690	5.4
137.09631	1.0
137.13261	4.4
147.11714	5.8
149.13240	2.7
151.14818	1.6
153.40082	0.9
161.13277	5.6
163.14854	2.9
165.12778	1.3
165.16397	1.0
172.59496	0.8
175.14836	2.3
189.16426	1.6
245.22675	2.1
263.23734	4.6
337.27405	100.0
338.27725	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	337.2737
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03943	2.7
55.01870	1.8
55.05516	41.6
57.03443	27.5
57.07076	5.8
58.93691	0.6
62.55696	0.7
65.03928	2.9
67.05511	85.6
68.05827	0.9
69.07074	54.2
70.63097	1.1
70.63444	1.1
71.04974	1.6
71.08628	2.5
79.05500	23.6
81.07063	83.6
83.04977	2.3
83.08160	1.4
83.08627	22.4
85.06534	2.5
85.10175	0.7
91.05486	15.3
93.07054	20.0
95.04967	1.2
95.08615	60.1
96.08934	1.0
97.06531	5.4
97.10178	12.5
99.08086	2.5
105.04604	0.7
105.07043	10.6
107.08607	12.3
109.06506	1.3
109.10168	22.5
111.08072	3.3
111.11727	3.2
113.09714	1.0
119.08587	9.2
121.10159	10.4
123.08092	0.9
123.11717	9.6
125.09604	1.4
133.10150	8.4
135.11700	5.4
137.09602	1.6
137.13286	3.2
147.11697	5.6
149.13251	2.0
151.11208	0.8
151.14807	1.0
153.12808	1.0
161.13261	4.3
163.14850	3.1
165.16373	0.9
175.14828	2.8
177.16414	1.0
189.16406	1.3
245.22662	2.4
263.23807	3.4
307.35251	0.7
337.27393	100.0
338.27725	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	337.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.1
55.05523	28.7
57.03429	9.3
57.07063	13.4
57.08294	2.7
65.03954	2.8
67.05514	57.9
69.06748	3.8
69.07079	54.8
71.04996	30.9
76.31266	2.8
79.05503	32.5
81.06592	5.3
81.07066	90.2
83.08620	22.2
85.06520	5.7
88.30165	3.0
91.05485	38.6
93.00874	3.1
93.07056	48.7
95.04975	25.2
95.08619	100.0
97.06532	9.6
97.10168	7.4
105.07037	79.1
107.08598	46.1
109.06523	10.1
109.10157	45.2
110.40598	3.0
111.08053	5.3
111.11719	5.1
117.07029	14.4
119.05997	3.7
119.07816	5.2
119.08602	75.9
121.10159	77.3
123.08090	9.0
123.11722	56.3
128.06204	6.4
129.07010	9.8
130.07782	6.3
131.08563	46.8
133.10143	45.9
135.08058	30.5
135.11717	15.9
137.09660	6.4
137.13237	5.7
141.07001	6.2
142.07751	16.1
143.08588	30.3
144.09335	7.0
145.10147	51.8
147.08060	6.7
147.11705	22.6
149.09631	6.5
149.13295	8.2
155.08565	19.3
156.09326	13.8
157.10143	53.1
158.10855	7.1
159.07964	3.8
159.11713	22.7
161.09593	24.1
161.13286	11.7
163.14790	4.4
167.08580	10.3
168.09267	4.9
169.10168	24.0
170.10838	5.8
171.11670	28.1
172.12471	4.3
173.13269	13.5
175.11124	7.5
175.14859	16.1
177.16408	10.5
179.08569	5.5
181.10141	9.5
182.10899	10.9
183.11714	25.6
184.12515	3.7
185.13281	11.0
187.11211	5.5
187.14850	12.1
189.12746	6.3
189.16324	7.5
193.10179	11.1
194.10881	6.4
195.11726	21.0
196.12402	6.5
197.13272	38.6
199.14816	7.7
201.12759	9.8
201.16385	12.6
207.11687	5.0
209.13327	19.5
210.14104	4.3
211.14824	12.5
213.12758	8.9
213.16435	3.8
215.14278	18.6
215.17888	6.6
221.13213	5.3
223.14835	19.7
225.16415	9.8
229.31546	4.0
237.16469	8.1
239.17947	6.7
242.47339	3.2
249.16397	6.3
251.18004	4.9
253.19508	10.7
254.20427	6.6
257.19012	4.3
261.18127	3.1
263.17978	4.5
267.17407	5.2
267.20978	4.8
279.21133	18.4
281.18970	6.1
294.23343	5.9
295.24203	4.9
319.24170	10.3
337.24677	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	0.2
53.00320	0.2
53.03949	1.8
55.01877	3.5
55.05513	18.0
57.03440	1.2
57.07075	1.0
59.05000	0.3
60.08169	3.3
62.68456	0.2
65.03944	1.8
67.05507	47.3
68.05834	0.3
69.03424	0.6
69.07069	13.2
70.06590	0.2
71.04988	2.2
71.07359	0.4
71.50281	0.2
71.50711	0.2
73.02504	0.4
73.02921	7.8
73.06556	0.3
77.03950	0.5
79.05495	38.6
80.05847	0.3
80.06284	0.2
81.03432	1.0
81.07058	31.3
82.07409	0.3
83.04982	1.7
83.08624	6.6
83.09120	0.3
85.02895	0.2
85.06557	1.0
86.09714	1.5
87.04472	0.7
91.05484	19.4
93.07046	36.5
94.07355	0.3
95.04975	2.9
95.08608	23.8
96.08920	0.3
97.06538	1.4
97.10170	1.3
99.04456	17.3
99.08097	1.8
100.97743	0.2
101.06022	0.3
103.05447	0.3
105.04530	1.1
105.07032	11.7
107.04985	0.3
107.08597	14.5
109.06525	1.7
109.10157	8.1
111.08090	0.6
113.05978	1.2
114.35841	0.2
115.05463	0.3
117.07020	3.4
119.06075	0.3
119.08585	7.7
121.06509	0.2
121.10146	10.6
123.08067	1.1
123.11692	1.4
125.05979	0.8
125.09641	0.8
127.07587	0.4
129.07010	0.8
130.07803	0.2
131.08569	4.3
133.10135	6.3
135.08051	0.6
135.11702	4.8
137.09613	0.7
139.07565	0.4
141.09109	0.3
142.07730	0.2
143.08583	0.7
143.62630	0.2
145.10132	4.3
146.10936	0.3
147.11693	3.6
149.09644	0.8
149.13248	2.2
151.11176	0.5
153.09119	0.7
155.10637	1.0
157.10153	0.7
159.11697	1.6
161.09613	0.2
161.13269	1.2
163.11194	0.5
163.14775	0.4
165.09125	0.2
165.12782	0.3
167.10687	0.5
171.11697	0.7
173.13240	1.3
175.14853	0.4
177.12743	0.3
181.12230	0.7
185.13316	0.2
187.14832	0.4
189.12747	0.3
189.16464	0.3
193.12259	0.2
195.13794	1.0
199.14734	0.2
207.13783	0.4
215.17946	1.1
217.01935	0.2
221.15482	0.2
233.19034	0.4
245.96175	0.2
277.21625	100.0
278.22012	2.3
336.22278	2.1
336.28967	75.0
337.29260	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	336.1921
Annotation	Phe Ile Gly
Peak:m/z	Relative Intensity
55.05514	0.6
56.05034	0.5
58.06601	0.4
60.39743	0.3
64.09100	0.3
69.03422	0.3
69.07069	0.9
70.06596	2.8
71.50494	0.4
72.08159	3.5
80.05045	0.3
84.04503	0.8
84.08138	2.9
86.09711	46.7
91.05465	0.3
93.07064	1.3
95.06096	0.6
102.05527	0.4
103.05471	3.8
109.40202	0.3
110.07152	0.4
112.11259	0.9
116.07091	0.3
120.08111	100.0
121.08430	0.6
123.83147	0.2
129.10223	1.0
130.04985	0.3
136.06209	0.6
136.07610	0.4
150.09138	0.5
158.14848	0.3
162.72148	0.3
178.08667	0.5
178.69101	0.2
179.81154	0.3
189.01811	0.9
189.12325	5.8
223.10811	1.8
233.16499	31.8
238.10721	0.3
261.16000	7.0
261.18823	0.4
275.60107	0.3
288.08606	0.7
289.62515	0.4
305.66748	0.3
318.18655	0.3
327.16214	0.5
335.67587	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1919
Annotation	Gly Phe Ile
Peak:m/z	Relative Intensity
51.65744	0.3
53.01152	0.3
56.74194	0.3
62.74781	0.3
69.07070	1.7
69.60573	1.3
69.60980	0.5
70.06595	1.4
72.08150	0.9
84.08147	1.1
86.09709	22.2
91.05476	0.6
93.07060	0.5
98.21432	0.6
103.05466	1.7
119.43978	0.3
120.08108	100.0
121.08449	0.7
124.68786	0.3
126.59872	0.3
132.10216	7.6
146.44699	0.3
166.08650	0.7
167.10440	0.4
171.11282	0.4
177.10239	46.0
178.10582	0.5
192.57272	0.4
205.09724	8.5
233.16553	0.4
277.56833	0.3
279.16977	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63930	0.5
53.03947	1.4
55.01865	0.8
55.05504	1.9
57.03436	0.6
67.05518	1.9
69.07076	15.2
70.06581	2.7
70.12045	1.9
71.05000	0.6
72.08150	1.7
74.02438	0.7
79.05506	4.4
79.11292	0.6
80.05013	1.0
81.03414	3.5
81.07054	1.8
82.06559	1.0
83.04980	3.0
83.08605	0.7
84.04480	0.5
84.08145	2.4
86.09713	100.0
87.10068	1.1
91.05489	12.4
93.05804	0.8
93.07048	8.6
94.06565	0.6
95.05000	2.7
95.08611	0.9
96.35582	0.5
97.06522	1.3
100.11269	2.0
105.07036	5.1
107.04993	2.7
107.08613	3.7
109.02900	2.4
109.06547	1.3
110.06026	0.6
111.04491	1.0
112.08730	1.0
115.05476	1.5
117.07033	22.4
119.04939	0.7
119.08614	6.0
120.08110	1.6
121.06550	2.4
121.10183	1.1
123.04430	5.4
128.06244	1.0
128.10695	5.5
129.07060	1.2
129.10158	0.8
131.08578	10.4
132.10220	1.6
133.06508	2.3
133.10159	2.9
135.08063	24.5
135.11737	1.0
141.07031	0.9
143.08568	1.7
145.06499	2.7
146.05991	0.5
147.11693	0.7
148.11227	1.7
149.09615	3.5
159.08058	12.0
161.09694	1.5
163.07559	14.1
165.09134	0.6
169.06516	1.1
176.10732	1.5
177.09131	9.1
181.08597	6.0
187.07558	5.5
194.11914	1.2
195.10239	1.5
204.10280	1.3
205.08620	42.3
208.13362	1.0
209.16534	1.4
210.14992	0.6
222.11311	1.9
223.09592	0.6
244.17014	4.5
246.18622	1.3
248.14261	0.6
248.16478	3.3
262.18015	7.3
271.37344	0.7
272.16605	2.1
290.17523	43.4
300.12485	1.1
308.18604	16.3
308.22159	0.9
309.18930	0.8
316.64163	0.7
318.13449	1.7
318.17087	1.0
336.18130	6.9
336.21777	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.1
55.05518	5.4
56.05032	7.2
56.29327	1.1
56.96546	1.3
60.04274	1.3
60.04534	20.1
61.01149	2.6
67.05490	1.3
67.24253	1.5
68.05029	1.4
70.02941	1.8
70.06590	8.3
71.49110	1.5
71.49480	1.2
72.08163	67.9
74.06065	3.5
81.07045	1.4
84.04484	3.8
84.08159	6.0
86.09705	7.5
87.05595	15.2
94.06564	1.4
95.04979	1.2
96.08102	2.6
100.07584	1.9
102.05551	1.6
104.05330	11.6
114.09177	20.6
116.07090	1.4
119.72862	1.3
120.08109	6.8
122.02708	1.4
129.10187	1.3
130.04994	2.1
133.03191	6.4
136.07614	2.0
140.33348	1.1
141.10207	2.0
150.05861	20.4
159.11308	100.0
187.10818	24.7
192.08719	1.4
249.12512	2.6
272.71780	1.2
336.15857	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	335.2582
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.02373	0.9
51.41354	0.5
53.03956	3.7
55.01883	1.7
55.05517	26.4
57.03444	25.0
57.07074	3.1
65.03950	4.7
67.05512	100.0
69.03451	0.6
69.07074	22.9
70.92545	1.1
71.05010	2.6
77.03922	1.0
79.05503	47.2
81.03458	1.0
81.07065	80.5
83.05002	2.7
83.08629	9.8
85.06562	2.0
91.05489	24.6
93.07054	48.1
95.04989	4.6
95.08614	63.4
97.06532	3.0
97.10187	2.4
99.08128	1.5
105.04539	1.3
105.07042	13.2
107.08611	22.7
109.06554	2.2
109.10168	24.4
111.08102	1.7
117.07033	3.6
119.08577	9.3
121.10152	19.4
123.08112	1.8
123.11727	7.3
125.09617	0.7
131.08589	6.8
133.10139	7.5
135.11705	10.4
137.09569	0.9
137.13281	2.0
145.10156	3.9
147.11697	4.5
149.09610	0.8
149.13278	4.6
159.11725	2.5
161.13266	3.9
163.11203	0.8
163.14893	2.2
164.56450	0.7
165.12787	1.3
171.82713	0.7
173.13254	2.0
175.14816	1.4
185.13269	0.6
187.14792	1.3
243.21085	0.7
255.28249	0.8
261.22189	2.6
335.25827	89.6
336.26184	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	335.2582
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03942	5.0
55.05281	1.8
55.05519	26.7
57.03443	25.8
57.07069	3.2
65.03936	3.0
67.05511	100.0
67.76697	1.0
69.06733	1.5
69.07073	20.4
70.01505	2.7
70.01875	5.2
71.04987	2.5
77.03902	1.1
79.05499	50.5
81.07066	85.9
83.04976	2.1
83.08627	11.1
85.06546	1.4
90.30669	1.3
91.05489	27.4
93.07054	52.9
95.04993	5.7
95.08615	71.8
97.06537	2.4
97.10159	2.3
105.07043	17.9
107.08604	31.8
109.06487	2.5
109.10169	27.9
117.07020	5.0
119.08604	13.7
121.10165	24.2
123.08089	1.3
123.11736	9.1
129.05475	2.3
131.08591	8.4
133.10149	9.6
135.11699	17.2
137.09616	1.6
137.13226	3.1
145.10100	7.3
147.11705	7.4
149.09688	1.6
149.13298	8.7
159.11717	5.8
161.13286	5.9
163.14815	4.6
165.12752	2.7
173.13315	6.8
177.16409	2.2
187.14761	2.6
201.16348	1.4
236.44424	1.2
243.21048	7.0
261.22226	8.2
317.24698	2.3
335.25821	98.8
336.26031	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03938	5.3
55.05272	2.0
55.05515	22.7
57.03202	1.5
57.03445	24.0
57.07074	1.7
65.03929	5.0
67.05511	100.0
69.07075	18.0
70.19891	1.3
71.04985	1.5
79.05495	41.3
81.07063	82.6
83.04995	2.4
83.08611	6.6
85.06522	1.5
91.05485	25.5
93.07049	50.7
95.08616	71.2
97.06522	2.5
97.10162	3.6
99.08038	1.3
105.04540	1.4
105.07030	16.6
107.08607	24.8
109.10172	32.9
111.08099	2.7
111.11672	1.3
117.07032	4.4
119.08597	11.8
121.10155	23.1
123.11725	11.1
129.75768	1.8
131.08553	9.4
133.10170	8.4
135.11697	16.5
137.13284	2.0
145.10120	8.7
147.11737	7.0
149.13304	6.9
151.11203	2.5
159.11702	3.5
161.13278	5.4
163.11169	1.7
163.14828	4.0
165.12816	1.5
173.13290	5.3
175.14880	2.6
185.74983	1.6
187.14888	3.3
243.21063	5.0
261.22159	11.0
317.24936	2.4
335.25821	99.3
336.26193	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	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03951	5.1
55.05511	23.1
57.03438	25.0
57.07063	2.1
61.30359	0.9
65.03945	4.9
67.05508	87.5
69.03424	1.0
69.06737	1.6
69.07071	22.7
70.62997	3.0
71.04990	2.4
71.33587	0.9
73.65579	1.0
77.03928	1.2
79.05495	46.6
80.17760	0.9
81.07059	86.4
82.05489	0.9
83.04977	2.3
83.08624	9.0
85.06544	2.3
91.05484	22.8
93.07046	48.6
95.04955	3.0
95.08610	65.2
97.06524	3.1
97.10181	3.4
99.08060	1.2
105.04514	1.9
105.07030	15.4
107.08597	24.5
109.06505	1.9
109.10160	24.1
111.08053	1.9
117.07027	5.2
119.08578	12.4
121.10143	20.6
122.61522	1.1
123.08112	1.3
123.11698	7.1
125.09576	1.1
131.08588	9.9
133.10136	10.4
135.11696	15.2
137.09602	1.2
137.13232	1.7
145.10161	5.4
147.11687	5.4
149.13264	9.8
159.11749	5.0
161.13266	4.4
163.14822	3.5
165.12766	1.1
173.13295	4.1
175.14861	2.1
177.16370	1.2
183.26704	1.0
187.14812	2.8
243.21107	7.1
256.85693	0.9
261.22141	10.6
317.24704	1.7
335.25812	100.0
336.26132	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	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03937	3.7
55.01873	1.4
55.05281	1.3
55.05517	19.7
57.03442	22.3
57.07076	3.3
62.67205	1.1
65.03938	3.7
67.05511	100.0
69.06728	1.7
69.07074	20.9
69.30685	1.1
69.31066	10.0
70.45451	1.1
71.08621	1.2
79.05499	45.5
81.07061	86.2
83.04972	2.3
83.08619	9.2
85.06548	1.8
85.44675	1.3
91.05494	23.3
91.23963	1.3
93.07050	54.6
95.04958	2.8
95.08617	68.1
97.06526	3.3
97.10179	3.6
98.20682	2.6
99.08051	2.3
105.07030	14.0
107.08607	26.0
109.06538	2.7
109.09471	2.3
109.10165	30.1
111.08088	2.3
111.11667	1.4
117.07014	5.3
119.08586	12.5
121.10152	23.6
123.08092	3.0
123.11720	9.7
131.08588	7.8
133.10132	8.9
135.11717	16.2
137.09605	1.4
137.13246	4.0
145.10138	7.5
147.11697	8.5
149.13264	7.7
159.11736	5.8
161.13266	5.5
162.13879	1.1
163.14847	3.6
173.13289	5.4
175.14896	1.6
177.16411	1.5
183.97960	1.2
187.14828	4.0
196.81042	1.3
201.16508	1.4
209.61421	1.2
243.21149	4.5
261.22183	9.1
317.24774	1.2
335.25824	89.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03941	4.3
55.05270	2.2
55.05516	30.8
55.48163	1.5
57.03444	21.4
57.07067	3.7
65.03939	4.5
67.05508	97.4
69.07072	21.5
69.23432	13.9
70.44719	1.4
71.04985	3.7
71.08627	1.7
79.05497	45.7
81.07062	100.0
82.07367	1.7
83.04986	2.9
83.08626	8.2
85.06538	2.7
91.05486	28.7
93.07048	54.3
95.04966	4.2
95.08611	79.7
97.06532	2.9
97.10178	3.7
98.20809	3.4
105.07034	19.2
107.08596	29.1
109.06538	3.5
109.10162	36.3
111.08047	2.0
117.06998	4.6
119.08590	15.8
121.10149	25.2
123.08015	1.8
123.11717	13.0
131.08583	11.7
133.10161	11.7
135.11679	13.1
137.13290	3.2
143.08568	1.6
145.10121	7.0
147.11696	8.8
149.13290	7.2
159.11717	7.7
161.13235	5.4
163.14822	4.4
172.90591	1.4
173.13283	4.0
175.14911	3.3
186.44128	1.7
187.14847	4.3
196.29245	1.5
243.21227	3.5
261.22134	10.2
303.26651	1.7
335.25845	96.0
336.26028	1.7
346.75793	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	335.2582
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03959	4.1
55.01884	1.1
55.05517	20.3
57.03442	24.0
57.07069	3.5
57.37192	0.8
65.03943	4.1
67.05511	82.7
68.05831	1.2
69.06736	1.2
69.07075	17.9
69.96523	0.8
70.68697	2.6
71.04961	1.3
71.08640	1.3
79.05501	49.0
81.03450	1.3
81.07062	90.4
83.04986	0.8
83.08623	10.5
85.06548	2.3
91.05490	22.8
93.07053	52.3
95.04968	3.3
95.08614	70.0
96.24763	0.9
97.06549	3.3
97.10184	4.3
99.08099	1.6
105.04543	1.8
105.07038	18.2
107.08607	30.2
109.06518	2.0
109.10167	33.9
110.58578	0.8
111.08089	2.2
113.27393	0.7
117.07032	5.5
119.07813	1.2
119.08601	13.9
119.92783	0.8
120.33685	0.9
121.10152	23.0
123.08084	2.0
123.11706	11.2
125.54137	0.8
129.05478	1.4
131.08563	10.5
133.10139	9.4
135.08115	1.2
135.11710	17.2
137.09615	1.6
137.13281	3.6
143.08606	0.8
145.10141	9.6
147.11705	9.6
149.09578	0.8
149.13277	10.3
151.11143	1.6
151.14957	1.1
159.11687	6.7
161.13251	8.3
163.11168	1.1
163.14807	5.9
165.12743	1.3
173.13235	6.1
175.14838	3.0
177.16350	2.0
187.14838	3.4
201.16356	2.0
243.21115	6.6
261.22156	11.2
279.23187	1.4
317.24756	4.9
335.25830	100.0
336.26361	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	335.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.5
55.05505	2.1
57.03434	1.2
61.48004	0.4
67.05518	6.0
69.07062	1.8
71.29517	0.5
71.29896	0.9
73.05072	0.5
79.05498	4.3
81.03410	0.6
81.07076	5.2
83.08601	1.3
83.23029	0.4
84.02644	0.5
86.90997	0.4
91.05490	2.3
93.07044	4.0
95.04976	0.7
95.08616	5.2
97.06580	0.6
99.04472	0.6
105.07024	2.0
106.22419	0.4
107.08615	2.3
109.02853	0.5
109.10136	1.9
111.08080	0.6
114.60448	0.4
117.07026	0.8
119.08634	2.3
121.10149	1.6
131.08556	1.1
133.10126	1.5
135.08066	0.6
135.11694	1.5
139.02637	0.5
143.08559	0.9
145.10146	1.3
147.11703	1.1
157.10153	0.9
159.11707	0.6
173.13252	1.1
185.13326	0.6
195.10013	1.5
195.11714	0.7
209.13123	0.6
215.97818	0.4
221.13313	0.5
276.22861	0.6
277.21750	2.9
294.24548	0.9
335.21936	100.0
336.22131	2.7
336.25757	0.5
336.28717	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64858	0.6
55.05495	2.1
57.03419	1.8
58.06604	0.8
62.67470	0.6
67.05508	6.9
69.07069	1.3
69.25729	6.4
70.06588	0.9
71.08639	0.8
72.08138	1.0
79.05496	4.7
81.03421	1.0
81.07056	6.9
83.04984	0.6
83.08600	1.0
88.07618	3.0
89.02143	0.7
91.05484	3.1
93.07068	5.0
95.06004	0.7
95.08611	6.6
98.20795	1.4
98.41434	0.6
98.98437	0.7
105.07066	4.1
107.08601	3.9
109.10161	2.0
117.07045	0.8
119.08600	3.3
121.10133	2.3
123.11691	1.9
131.08588	2.4
133.10143	2.3
135.08203	0.7
135.11693	1.2
143.08524	1.0
145.10143	2.0
147.11676	1.5
157.10114	1.2
159.11664	1.4
161.61090	0.7
173.13232	1.4
183.11728	1.0
205.12096	0.7
243.25160	1.8
247.14774	0.8
255.49725	0.7
261.22104	0.9
287.27844	0.9
317.20688	0.9
335.21927	100.0
335.25385	4.3
335.29248	9.1
336.22287	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	335.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	25.5
55.01876	14.4
55.05502	9.8
56.05048	3.0
57.03429	5.3
57.07056	3.4
58.06602	6.4
60.04525	3.3
65.03925	3.0
67.05508	55.5
69.03133	2.9
69.03438	26.2
69.07053	11.1
69.60498	7.1
69.60921	9.1
71.01349	2.7
71.04992	9.4
72.08161	2.9
79.05495	48.0
79.43200	2.3
80.29968	2.5
81.03423	88.7
81.07063	43.9
83.01302	3.1
83.04992	16.4
83.08620	6.4
85.02913	6.8
85.06520	4.5
86.06087	4.1
88.07637	29.9
89.07962	8.4
91.05491	34.9
93.07042	37.3
95.01337	5.0
95.04978	21.2
95.08631	19.4
97.02880	9.3
97.06522	13.9
98.03565	2.9
98.21434	4.4
99.04453	6.5
103.05392	2.5
104.07109	3.8
105.07032	20.6
107.04970	61.8
107.08601	24.0
109.02889	79.3
109.06496	4.7
109.10174	4.9
111.04440	15.7
111.08116	3.3
115.05431	4.6
117.07024	18.6
119.08589	13.7
121.06491	9.1
121.10155	26.3
123.04432	8.9
123.08088	2.9
125.02352	6.7
125.06058	3.3
127.02983	4.6
127.03923	87.1
129.07027	12.3
130.07750	3.0
131.04962	6.0
131.08580	19.3
132.10176	9.0
133.06506	2.7
133.10135	5.4
135.04416	4.5
135.08034	5.6
135.11688	29.8
137.06024	2.9
141.07027	2.5
143.08534	9.0
144.62921	2.5
145.06502	9.2
145.10143	35.9
147.04413	7.2
147.08067	6.3
147.11664	3.8
149.05945	3.3
149.09624	13.0
153.12694	2.7
155.08563	13.8
157.10175	3.2
158.99736	3.1
159.11665	4.1
161.05905	5.0
161.09599	4.6
163.03891	4.0
163.11172	46.3
165.07016	3.0
166.10806	2.6
169.10162	3.1
171.11684	3.0
173.09630	34.7
181.12241	10.5
187.07571	3.0
191.10675	32.5
193.10225	3.5
207.11815	2.8
209.11761	5.5
227.12733	20.4
235.11169	3.1
239.10478	2.7
242.24863	5.3
243.25143	27.9
259.13602	3.3
271.13327	7.3
287.27777	8.6
289.14374	5.3
317.13992	12.1
335.15076	41.0
335.21851	88.1
335.25662	4.2
335.26343	4.2
335.29834	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.7
53.03714	1.9
53.03950	24.7
55.01880	12.1
55.05516	9.8
56.05020	2.0
57.03424	5.3
57.07071	3.1
58.06594	3.4
65.03947	3.9
65.40243	1.4
67.01862	1.6
67.05508	49.2
69.03087	1.0
69.03433	24.6
69.07078	7.9
69.61173	8.7
71.04994	7.9
72.08164	2.4
74.06105	2.1
79.05502	42.8
81.03425	83.5
81.07063	33.0
83.04979	12.6
83.08620	5.5
84.08147	1.8
85.02901	6.3
85.06554	3.8
88.07641	13.9
89.07961	4.0
91.04900	1.9
91.05486	33.4
93.07049	38.3
95.01323	5.9
95.04977	21.9
95.08614	20.6
97.02884	5.3
97.06550	14.3
97.10115	1.9
98.97584	2.1
99.04482	8.8
103.03917	1.6
103.05449	4.4
105.03445	1.6
105.07036	19.4
107.04963	54.6
107.08594	21.7
109.02890	87.0
109.06527	5.4
109.10154	4.6
111.04456	11.4
111.08083	2.1
115.05455	5.0
117.07028	18.1
118.07735	1.4
119.04958	2.2
119.08585	15.8
121.02831	2.0
121.06503	6.0
121.09335	1.9
121.10153	25.9
123.04456	8.6
123.08076	2.7
125.02366	4.4
125.06008	3.9
125.09657	2.2
127.03929	74.4
128.06267	1.8
129.07014	7.6
130.07860	2.4
131.04913	8.0
131.08569	16.1
132.10173	3.8
133.06544	2.5
133.10101	7.4
135.04430	1.4
135.08093	4.9
135.11694	25.3
137.09613	2.0
141.06976	2.7
143.03482	1.8
143.08574	5.3
145.06488	9.9
145.09081	1.9
145.10143	29.1
147.04396	5.3
147.08034	4.7
147.11662	4.4
149.05980	4.5
149.09631	12.0
153.12700	2.5
155.08556	13.6
157.10130	4.6
159.08009	2.0
159.11691	2.7
161.06003	3.4
161.09595	2.6
163.03870	2.3
163.07581	2.9
163.11192	38.1
167.08487	1.3
169.10143	2.7
171.08148	2.3
171.11659	1.6
173.05991	3.4
173.09644	28.5
173.13167	2.1
175.07574	2.3
175.11220	1.7
179.08566	3.4
181.10126	1.9
181.12228	8.9
185.09554	2.2
187.07605	1.6
187.11133	1.9
189.08994	2.1
191.09122	2.6
191.10699	19.9
193.10185	1.8
195.11737	1.8
197.13358	1.6
199.15005	1.7
201.12917	1.8
209.11729	3.8
209.31256	1.4
211.11189	1.9
215.10689	2.4
225.12886	1.5
226.43011	1.5
227.10762	1.6
227.12778	21.3
229.12228	1.8
239.10626	2.5
241.12277	1.9
242.24855	2.1
243.25150	13.3
253.12228	3.2
257.11792	1.8
259.13290	2.5
271.13232	4.1
275.12863	1.4
281.11700	2.4
282.22559	1.4
287.27933	6.5
289.14270	4.9
299.12921	6.7
317.13898	10.2
335.15204	38.8
335.21881	100.0
335.29758	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	335.119
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	2.2
56.96560	3.8
60.04531	1.4
61.01152	1.2
68.98310	1.4
70.06595	7.8
70.16698	4.2
70.98108	3.0
72.08140	4.0
82.99844	4.8
84.04503	1.6
84.08154	5.9
86.09707	8.7
87.10040	2.9
88.03989	2.6
89.00911	1.6
94.99847	1.2
97.01371	2.4
98.97585	1.8
101.00893	42.5
102.00957	1.5
103.00634	4.0
103.02440	1.7
104.05353	1.5
113.00883	18.7
113.04489	2.1
115.00668	1.7
115.02460	7.0
116.07038	1.1
117.02141	1.1
118.08710	1.1
119.01938	27.7
120.08139	1.9
121.01685	4.9
127.02417	4.7
128.98610	2.4
129.03998	4.7
129.10249	2.5
129.67705	1.1
131.01920	23.1
131.05553	11.5
133.01630	5.0
133.03456	6.8
137.00851	5.1
137.02945	1.7
141.70866	1.2
143.01912	94.6
145.01715	1.4
145.03487	9.4
146.99620	2.2
147.01439	1.7
147.03209	2.5
147.05008	4.5
149.02988	1.3
149.06601	11.6
155.01904	32.8
155.05461	5.3
156.02658	2.8
156.10231	1.7
157.03517	5.3
158.09297	1.1
159.05040	6.1
161.02971	67.6
162.03102	1.3
167.05516	1.6
169.03461	1.3
169.07144	2.8
171.05096	2.8
172.97585	3.3
173.02979	17.7
173.06615	31.1
175.02805	1.9
175.04475	2.0
177.00690	2.1
177.06065	3.6
179.03856	1.3
184.04407	1.2
185.03035	3.7
185.06619	43.0
186.06819	1.4
187.02829	2.0
187.08189	6.4
190.98686	2.2
191.03896	1.2
191.07649	6.9
197.06604	2.5
199.08168	2.6
201.06062	2.5
201.12344	5.2
202.12743	10.1
203.02400	1.9
203.04001	10.9
203.07654	17.6
205.00169	2.6
205.02005	1.4
205.03780	1.4
213.00656	1.4
214.98679	1.4
215.02293	8.4
215.03998	6.4
215.07623	18.0
217.09213	1.9
218.98193	1.6
219.01845	1.8
221.05074	22.0
222.05164	1.3
223.04692	1.5
227.02190	1.4
227.07635	5.2
231.01649	2.2
232.99716	3.6
233.03113	12.2
233.05099	4.8
233.08664	3.1
241.05849	1.7
245.03093	1.7
245.05333	2.5
257.08731	6.2
263.04333	2.1
275.00647	1.6
275.09790	44.3
276.03226	1.2
293.10834	100.0
294.10953	2.8
316.12668	1.4
335.11899	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11112	0.4
55.05512	5.6
56.05027	3.4
57.07078	2.9
58.06586	0.5
59.73698	0.4
60.04528	100.0
67.05505	10.4
68.05043	1.1
69.07066	7.1
69.71447	2.6
70.06590	1.3
71.05003	0.6
71.08639	1.7
72.04536	2.4
74.06085	2.0
74.72807	0.5
79.05490	3.2
80.05024	2.0
81.03422	1.0
81.07059	11.1
82.06582	1.8
83.04985	1.1
83.08624	7.0
84.08145	0.7
85.10174	1.1
86.06065	0.8
90.05561	1.1
91.05474	2.8
93.07056	4.3
94.06586	1.2
95.04981	0.6
95.08611	11.8
95.09176	0.8
96.08144	1.1
97.06563	0.8
97.10193	3.3
98.06059	1.1
98.21488	0.9
98.97583	0.6
102.05561	1.8
105.07041	1.8
107.08614	2.0
108.08107	0.7
108.85799	0.5
109.10158	5.4
111.11735	1.1
112.07648	0.6
115.61174	0.4
116.07079	1.6
119.08587	1.6
121.10154	1.7
123.11734	2.1
124.21612	0.5
133.10149	0.9
135.11700	1.3
137.13269	1.0
146.11795	0.5
162.47232	0.5
221.22626	0.7
239.23743	2.0
245.22673	0.6
249.41522	0.5
250.25296	1.2
262.25366	1.7
263.23770	0.9
280.26373	10.1
298.27417	15.9
316.28473	41.3
317.28796	0.7
334.29507	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0742
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
56.96568	18.1
57.02054	6.9
64.31574	6.6
70.06601	13.0
70.09878	28.1
70.98107	9.2
81.88657	7.0
84.08143	24.3
86.09705	41.2
97.02915	8.0
98.97585	16.6
101.00871	16.8
104.05281	7.1
105.64490	6.8
106.22322	6.5
113.00837	10.5
119.01930	20.7
128.98653	7.1
130.86081	7.3
131.01878	14.3
133.03442	12.5
136.07578	25.3
137.00916	6.9
141.04013	7.7
142.07256	6.9
143.01863	10.9
145.03482	12.8
146.99634	10.5
155.01871	11.2
161.02960	16.0
171.05014	9.6
172.08292	7.8
172.97620	8.6
173.03061	16.2
179.05537	20.0
182.42053	6.8
190.09238	13.2
203.04051	11.3
219.01938	15.6
221.05042	18.3
222.06081	8.6
232.99734	8.3
255.78448	8.6
261.08417	9.3
275.09711	9.9
279.09222	10.9
293.10733	10.5
299.57205	8.0
334.49323	7.7
335.07367	100.0
335.14386	31.1
336.12988	16.4
337.57663	8.0
353.15472	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1611
Annotation	Leu-Asp-Ser
Peak:m/z	Relative Intensity
60.04529	3.8
68.64956	0.8
69.06734	1.1
69.07071	11.3
70.02937	2.6
70.06580	1.6
70.44456	2.3
72.08149	2.0
74.06075	1.0
75.82071	0.8
84.08146	1.6
85.04027	1.0
86.09708	71.9
87.05589	1.6
87.10016	1.0
88.03992	15.3
96.08138	4.9
98.02401	3.9
101.00893	2.0
106.05016	1.7
110.06171	0.8
110.09670	1.7
113.10770	2.2
115.05057	1.4
116.03460	1.1
119.01872	0.9
122.30149	0.8
130.05031	1.0
130.08623	1.3
133.06091	2.2
133.16125	0.8
136.07520	1.0
138.09085	1.7
141.10222	13.0
142.08641	1.8
143.01836	1.8
144.44113	0.8
156.10205	17.6
161.02939	1.6
166.08612	1.4
173.06575	1.1
173.12883	10.6
174.03099	0.9
183.11298	4.6
184.09662	2.4
185.06555	1.6
201.12350	100.0
202.12802	1.0
214.02701	1.4
229.11870	11.4
232.03616	1.6
275.09747	3.3
293.10764	3.9
316.15030	2.0
335.12140	1.7
350.12671	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12127	0.8
53.03946	0.9
55.01870	1.5
55.05487	1.6
56.05031	1.4
56.96556	1.4
57.90524	0.7
60.04543	5.9
61.02906	0.8
66.59528	0.7
67.05506	10.0
68.05039	6.0
69.03435	4.8
69.07063	1.1
69.75554	3.0
70.02947	1.6
70.06602	4.7
71.05009	4.0
71.05321	0.8
72.08151	6.4
79.05487	3.6
80.04999	1.0
81.03415	8.3
81.97189	0.7
83.05007	0.8
84.04503	4.7
84.07787	0.6
84.08159	6.1
85.02896	2.0
85.06541	0.8
86.06078	0.9
86.09711	12.5
86.74091	0.8
87.04467	1.1
87.05604	1.9
87.10085	1.0
88.03969	2.4
90.91280	0.7
95.04967	13.6
96.04470	1.1
96.08142	1.2
97.02886	3.6
98.06058	0.9
98.09687	0.9
98.97581	3.1
99.00830	1.0
99.04466	10.1
102.05576	1.6
106.06556	0.9
110.06056	2.1
111.04422	1.5
112.03955	2.0
113.06004	2.9
115.03933	11.1
115.05045	2.5
117.56454	0.7
120.08098	2.0
123.03712	0.9
123.04460	8.4
124.07621	1.3
126.08999	0.7
127.03920	15.6
128.07086	5.1
129.10217	3.0
130.05046	5.7
130.08615	0.9
131.08150	0.7
132.10185	4.6
134.06030	1.1
141.05499	2.1
144.06578	18.4
145.27826	0.8
152.07065	4.2
156.07736	1.0
156.10153	1.0
157.06129	3.6
158.08154	0.9
159.06535	16.6
159.11311	2.4
160.09557	1.0
170.08136	9.1
173.12819	1.1
175.07178	6.1
176.09196	9.6
177.00784	1.9
182.08118	1.0
187.10771	1.0
187.14417	2.4
188.09183	41.9
201.12331	3.0
202.10773	1.3
203.06699	4.1
214.10654	1.4
229.11852	1.0
238.10799	1.6
247.01247	1.0
256.11835	1.7
268.92191	0.9
274.12997	2.0
289.15396	0.9
298.12955	3.7
315.73035	1.0
316.13931	5.9
316.18835	1.7
334.14963	100.0
335.15536	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09030	0.4
58.41430	0.4
60.50378	0.4
60.77143	0.3
63.02385	0.6
70.06594	1.2
70.18074	0.7
72.08157	0.9
78.04748	0.4
83.06116	2.1
86.09714	0.9
89.03924	6.5
91.05471	0.9
93.07034	0.4
98.06058	1.5
98.21436	0.4
103.05457	0.4
106.04198	0.4
109.04006	1.7
117.03387	22.9
123.26796	0.4
126.06660	1.8
134.03641	1.8
135.04430	0.7
136.06230	0.8
137.36717	0.3
145.02858	54.4
149.05998	7.5
158.05966	0.4
158.09273	6.0
163.03972	0.6
177.05484	100.0
178.05835	1.1
179.68314	0.3
183.19995	0.3
186.05492	0.5
197.29219	0.4
302.11349	0.9
305.69791	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.3
53.03949	6.4
55.01860	4.8
55.05514	18.9
57.03440	22.0
57.07072	1.5
59.09077	1.1
62.71127	1.1
65.03932	5.4
67.05508	100.0
69.07073	14.2
70.67551	1.0
70.67887	2.6
71.05006	1.7
73.02898	1.7
79.05498	53.2
81.03422	4.4
81.07059	67.1
83.04992	1.6
83.08636	6.4
85.06534	1.5
91.05489	34.3
93.07049	53.0
95.04958	4.5
95.08613	50.4
95.09096	0.9
98.98438	6.0
103.03965	1.8
105.04597	1.6
105.07028	18.1
107.08598	26.3
109.02368	1.0
109.02901	9.7
109.06496	2.8
109.10162	19.5
117.07029	3.9
119.08587	14.5
121.06490	1.7
121.10165	17.4
123.08067	1.2
123.11705	4.3
127.03943	4.0
129.04652	1.5
129.05507	18.9
129.06932	1.7
131.08574	4.9
133.10149	11.9
135.08063	2.2
135.11702	9.5
137.13234	1.6
142.39899	1.1
143.08560	2.4
145.10112	4.0
147.11703	7.8
149.09663	1.7
149.13246	5.1
157.10115	1.5
159.11682	1.4
161.13266	5.4
163.14847	1.3
169.10164	1.1
171.11711	2.3
173.13222	2.4
175.14830	2.1
185.13333	1.8
191.14279	1.5
200.77478	1.1
217.19531	1.4
241.19569	2.4
259.20679	2.5
333.24271	45.7
334.24698	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	333.2063
Annotation	Ptilodene
Peak:m/z	Relative Intensity
54.15767	1.1
55.01868	2.9
55.05515	8.0
55.27680	1.1
56.41329	1.0
57.03424	1.8
57.07066	4.4
59.05002	3.0
60.04519	4.3
63.02351	1.1
65.03944	2.8
67.05510	18.9
69.03424	5.2
69.07068	6.0
71.00465	2.7
71.05001	2.5
72.08136	2.8
79.05495	17.2
80.06278	2.0
81.06592	2.1
81.07057	23.4
83.04967	4.4
83.08613	6.3
84.08134	1.8
85.02901	1.4
85.06544	1.6
91.05479	23.6
93.07055	12.8
95.04972	8.6
95.06086	3.5
95.08619	7.7
97.06541	3.1
97.10177	1.7
98.98471	22.9
100.98926	1.3
103.03973	6.5
105.07043	20.2
107.04946	1.7
107.08600	100.0
109.06519	10.5
109.10166	20.0
111.04431	4.2
111.08077	2.7
115.05458	5.7
117.07020	13.6
119.04946	2.3
119.06052	3.1
119.08592	11.7
121.04987	1.6
121.06554	3.2
121.10132	6.6
123.04435	1.7
123.08057	7.9
123.11735	1.6
125.05993	3.9
125.09646	20.9
128.06232	1.6
129.06975	2.0
131.08571	5.1
133.06514	2.9
133.10114	11.8
135.08061	76.4
135.11714	2.8
137.06009	1.9
137.09615	4.0
143.08531	2.7
144.05795	1.1
145.06488	1.4
145.10127	6.5
147.08031	4.6
147.11688	3.6
149.09637	3.7
151.07578	8.7
153.09109	57.7
157.10127	4.4
158.10800	1.3
159.08092	3.4
159.11668	5.8
161.09648	10.6
161.13202	1.8
163.07544	9.2
163.11192	10.8
171.11694	3.0
172.08751	1.2
173.09639	2.5
173.13295	3.1
176.98955	2.1
177.09068	3.0
181.12239	15.9
185.13283	2.0
187.11211	2.5
189.12764	2.6
195.11729	2.0
199.11194	3.3
201.12735	1.7
211.11536	1.3
211.14867	1.4
213.12811	2.2
215.10713	1.6
215.14226	1.3
217.12221	1.9
219.13858	1.3
231.13832	6.6
233.15436	3.2
241.12099	1.7
241.19623	2.2
259.13339	23.0
273.18616	2.7
279.17209	1.2
297.18558	3.3
315.19559	10.7
333.20639	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22451	0.7
55.05500	0.8
57.03425	0.8
57.07075	1.5
58.81667	0.5
59.80893	0.5
67.05510	1.7
69.07079	0.7
69.69679	0.6
70.06593	1.3
70.38207	0.9
70.38585	1.0
79.05492	2.4
81.07066	1.7
88.07614	0.7
88.92732	0.6
91.05480	2.3
93.07030	1.5
95.08619	1.8
97.11980	0.6
98.98477	8.4
105.07045	1.9
107.08598	1.3
109.02934	1.3
119.08584	1.7
121.10157	0.6
133.10150	0.9
145.10117	0.8
149.02315	1.0
149.13435	0.8
169.10001	0.6
176.98882	0.8
193.04973	2.9
195.09859	0.6
196.12717	0.7
235.13136	0.8
245.25755	0.6
262.10837	1.0
264.13342	5.7
302.24060	3.2
302.74347	0.8
315.19501	1.6
333.20389	100.0
333.75540	0.8
334.20721	1.8
334.29477	2.0
351.20261	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.05518	0.8
57.07067	0.7
67.05491	2.2
69.07082	0.8
69.80186	0.6
70.06587	1.3
70.17889	0.5
71.03873	1.7
73.29909	0.6
79.05479	1.7
81.03412	4.4
81.07053	1.8
87.04475	1.3
91.05464	1.6
93.07027	0.8
95.08624	1.3
97.72851	0.6
98.98478	9.1
105.07010	2.5
107.08639	0.9
109.02883	15.5
119.08576	1.0
125.09681	0.5
127.03932	0.8
133.10184	0.9
145.10164	0.8
147.11697	1.0
149.02376	0.8
159.99500	0.5
165.07225	0.6
176.99017	1.2
181.96059	0.6
193.05074	1.0
195.09949	1.8
201.09744	0.6
215.11404	0.8
231.95880	0.6
251.97824	0.7
265.82672	0.6
284.38541	0.8
315.18335	0.7
333.20377	100.0
333.31796	1.8
334.20609	1.6
334.29532	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.1
55.15741	0.5
56.10548	0.6
61.77185	0.5
67.05500	2.0
69.07059	0.8
70.06584	0.5
71.24106	0.9
79.05479	1.8
81.03433	0.8
81.07066	1.0
83.08599	0.6
91.05470	2.2
93.07050	1.7
95.08607	2.1
98.97868	0.9
98.98465	10.1
100.98893	1.2
105.07029	2.7
107.08596	1.6
109.10149	0.9
119.08582	1.7
121.10146	1.0
131.08611	0.6
133.10127	2.5
143.08568	0.6
147.11679	0.8
159.11697	1.1
163.11313	0.7
176.98843	1.1
178.74115	0.5
182.50418	0.6
193.04974	0.9
210.64143	0.9
224.65677	1.3
330.03387	0.7
333.20364	100.0
334.20770	1.7
351.20233	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78298	0.8
55.05507	1.1
56.88484	0.9
69.07049	0.9
71.31872	1.9
73.54373	0.7
80.06755	0.7
81.07041	1.1
84.81483	0.8
91.05482	2.0
93.07051	1.1
95.08584	1.4
98.98476	8.4
100.98889	1.0
107.08584	1.4
109.10230	0.9
119.08590	1.9
126.49603	0.9
127.57722	0.7
133.10077	0.9
144.69872	0.8
159.11700	1.2
176.99075	1.0
196.24075	0.7
333.20389	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1908
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
50.31347	0.8
53.03945	1.1
55.01853	1.1
55.05491	3.4
56.05065	0.9
57.03446	4.9
57.07070	7.2
59.05016	4.4
60.04515	3.1
61.02928	4.5
67.05508	6.7
69.03436	13.2
69.07074	7.9
70.06605	5.6
71.04998	2.4
71.49931	0.9
71.50345	1.5
72.08157	5.1
73.02908	2.7
79.05515	1.0
80.05007	2.2
81.03415	4.4
81.07048	2.7
83.08615	2.4
84.04496	1.6
84.08166	5.3
85.02911	32.3
85.06530	4.2
86.09706	15.9
86.10203	1.9
87.04472	1.8
87.05592	1.3
87.10049	5.4
89.03948	1.1
91.03922	1.6
93.07049	3.0
94.06545	1.8
95.04953	4.2
95.06072	1.9
95.08618	23.7
97.02898	13.2
97.06526	3.0
98.06059	39.6
98.98454	7.5
99.04453	2.6
99.08114	6.8
103.05463	1.5
107.08592	3.9
109.02863	3.5
109.06519	4.5
109.10155	8.0
111.04486	0.9
111.08057	3.0
112.08724	1.6
113.05941	1.1
113.08894	1.8
113.09650	27.2
115.01955	0.9
117.03391	4.1
120.08106	1.5
121.06572	1.2
122.06052	1.8
123.04407	3.3
125.49577	0.8
127.03889	7.5
127.11199	19.0
129.09039	0.8
129.10263	1.6
130.06535	100.0
132.10184	1.5
133.04967	1.4
135.11687	6.7
137.13264	1.9
140.07091	9.2
141.05447	1.7
145.02867	6.8
145.04965	8.7
149.05984	1.5
153.12759	29.0
155.14276	4.3
158.06032	46.9
158.08084	18.7
170.08275	1.0
171.13812	17.8
173.12814	4.6
174.13245	5.7
176.07631	1.2
176.09187	12.7
177.05463	10.6
195.12146	1.1
202.12659	2.3
213.14877	1.6
219.13379	1.1
220.13701	1.5
297.17004	1.1
315.09836	1.3
315.13229	5.6
333.10806	1.2
333.14572	17.4
333.18588	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01866	0.6
55.05514	66.1
56.05037	1.9
56.05851	0.3
56.22340	0.2
57.98798	0.3
58.78363	0.2
58.99591	7.1
58.99878	0.5
61.01147	0.4
67.05506	0.3
69.07074	0.3
69.48409	1.8
70.02946	0.3
70.06596	3.8
72.08163	5.1
73.02927	0.3
73.08492	0.9
74.06083	1.5
76.02237	0.3
80.05016	1.3
81.07063	0.7
82.06582	0.4
83.06110	29.8
83.08621	100.0
84.04505	4.6
84.04974	0.4
84.08148	2.7
84.08945	0.5
85.02891	0.4
86.00645	0.5
86.09708	2.7
86.99055	8.9
86.99586	0.5
87.10025	0.4
91.05475	0.5
95.04939	0.3
95.06085	0.6
97.02904	0.3
98.00664	0.4
98.06055	0.6
98.21493	0.4
98.98474	3.6
100.98894	0.3
101.09660	14.3
102.05556	0.3
105.00098	9.6
105.07007	0.4
107.06080	0.4
109.07644	1.6
110.07203	0.4
112.11234	0.5
115.03194	0.3
115.05805	0.3
116.07098	0.6
118.06567	0.7
119.04919	0.2
120.08125	1.1
122.06039	0.3
123.04436	0.4
124.02209	1.3
125.07135	0.5
127.73396	0.2
128.10710	0.4
129.06607	47.8
129.10254	0.9
130.05037	1.3
130.06523	3.7
136.07503	0.5
137.06006	0.2
140.07083	0.5
141.04773	1.9
144.08086	0.6
146.06026	1.9
147.04414	0.6
153.06599	2.5
155.08139	1.3
155.11842	0.3
158.06012	0.9
158.08168	1.8
159.08363	4.1
159.11311	0.3
164.30775	0.2
169.06087	0.3
170.02742	1.4
173.12883	0.6
174.13177	0.6
176.98938	0.4
181.06178	0.4
187.05382	2.9
187.07840	3.0
188.07082	3.0
188.14363	0.3
199.07199	0.8
201.12303	0.5
202.12659	0.7
204.10585	1.2
205.08937	18.8
215.04889	0.4
225.10185	0.3
233.05873	2.3
234.15392	0.4
235.85147	0.3
261.13104	0.3
287.14163	0.4
297.08737	0.3
315.09656	0.9
315.13681	0.7
316.12082	0.3
333.14804	93.9
334.15012	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1478
Annotation	Chlovalicin
Peak:m/z	Relative Intensity
53.03952	1.1
55.01881	0.2
55.05515	68.2
56.05040	2.0
56.05851	0.2
57.03432	0.2
57.93028	0.2
58.06607	0.2
58.99591	7.5
60.04525	0.2
61.01153	0.9
61.02942	0.2
67.05506	0.4
68.05048	0.2
68.72011	0.2
69.07082	0.4
70.06598	2.6
71.33945	0.3
72.08160	3.9
73.08495	0.6
74.06087	0.8
76.02247	0.3
79.05502	0.4
80.05028	0.8
81.07066	0.6
82.06577	0.3
83.05730	0.4
83.06113	31.3
83.08624	100.0
84.04513	3.6
84.04971	0.3
84.08154	2.4
84.08964	0.7
85.01118	0.2
85.02913	0.4
85.08502	0.2
86.00656	0.5
86.09713	2.3
86.99061	8.4
87.10046	0.2
88.04012	0.4
91.05474	0.4
95.06068	0.3
96.04486	0.2
97.02890	0.2
97.06502	0.3
97.27328	0.2
98.00661	0.3
98.06059	0.5
98.98480	2.5
100.02155	0.2
101.07156	0.3
101.09664	15.3
102.05540	0.3
102.85293	0.2
103.05474	0.2
104.72865	0.2
105.00098	9.6
107.06094	0.5
107.08638	0.3
109.07643	1.6
110.07207	0.5
110.09682	0.2
111.04508	0.2
112.08744	0.3
112.11272	0.4
115.05775	0.4
116.07124	0.6
120.08131	1.4
121.51233	0.2
124.02187	1.2
125.07183	0.2
128.07022	0.2
129.06609	50.7
129.10234	0.8
130.05008	0.8
130.06517	1.8
132.01187	0.3
132.10208	0.2
133.06903	0.3
136.07588	0.2
140.07072	0.2
141.04820	1.9
144.08096	0.2
145.20111	0.2
146.02707	0.2
146.04503	0.2
146.06012	0.9
147.04425	0.3
148.07565	0.2
151.99625	0.2
153.06578	2.0
155.08141	1.7
155.09143	0.2
155.11830	0.3
157.13367	0.2
158.05998	0.6
158.08191	0.9
158.09265	0.2
159.08385	3.7
170.02728	1.8
173.12936	0.7
174.13208	0.7
176.98946	0.3
181.06104	0.4
187.05417	2.7
187.07913	2.7
188.07089	1.5
199.07132	1.3
201.12366	0.4
202.12680	0.3
204.10504	1.1
205.08946	16.4
214.00327	0.2
215.04860	0.5
225.10298	0.3
233.05907	2.2
287.14343	0.6
315.09872	0.4
315.13620	0.5
333.14801	90.3
334.15079	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14018	0.2
53.03937	0.4
55.05501	0.6
56.05029	0.3
60.04515	0.7
62.74675	0.2
67.05480	0.5
68.05033	0.6
69.03429	0.4
69.07052	0.3
69.51887	1.5
70.06256	0.3
70.06596	3.7
71.04977	0.2
72.08157	0.5
74.02439	0.4
79.05508	1.6
80.05016	0.4
81.07067	2.4
84.04506	0.4
84.08139	0.4
85.85569	0.2
86.09312	0.2
86.09721	2.5
87.05592	0.2
88.03979	0.4
91.05499	1.7
93.07043	1.2
93.84965	0.2
94.06569	1.4
95.04478	0.3
95.04993	3.1
95.08601	0.3
96.08109	0.4
97.06535	0.4
98.06028	0.7
98.21473	0.3
98.98465	1.1
100.07635	1.7
100.78389	0.2
105.07045	4.1
106.06558	2.0
106.07761	0.3
106.81224	0.2
107.07375	1.0
107.08609	1.9
108.08131	1.0
114.05506	1.0
116.07101	0.5
117.07063	0.3
118.06461	0.2
119.08568	0.9
120.08091	2.2
121.08897	0.6
121.10133	1.1
121.24119	0.2
122.09685	1.6
124.07592	0.3
128.06232	0.3
128.07100	2.4
129.07005	0.4
131.08585	3.6
132.08107	0.6
132.09258	0.2
133.06471	0.2
133.08868	2.3
133.10123	3.5
134.09641	1.8
135.08058	0.3
137.05995	0.3
140.07066	0.4
142.08644	0.6
143.08578	0.8
145.10132	0.5
146.09673	0.9
147.10507	0.3
147.11697	0.9
148.11223	18.0
149.09787	0.3
149.12022	3.0
151.11189	0.4
152.07077	0.9
157.10002	0.2
161.09496	0.4
164.07066	1.0
165.07800	0.2
166.08656	0.4
166.12271	1.3
168.10214	0.9
171.11778	0.2
173.12930	2.3
175.11136	0.3
176.10748	0.3
178.08636	2.3
179.09483	1.3
192.10217	5.0
193.12317	0.6
194.11781	100.0
195.12160	0.9
201.12364	0.4
210.11279	0.8
211.13336	0.3
284.16473	0.3
286.21658	0.4
314.21188	2.1
332.22235	15.4
333.22620	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2224
Annotation	Tricalysiamide B
Peak:m/z	Relative Intensity
55.05505	2.1
57.07074	2.0
67.05499	2.4
68.05030	2.8
69.03432	1.0
69.07066	1.8
70.06599	15.3
70.25278	1.6
70.25622	0.6
71.04998	0.6
72.08149	1.9
77.80009	0.5
78.24191	0.5
79.05506	2.4
80.05000	0.8
81.03384	0.5
81.07065	3.3
83.08628	1.8
84.08137	2.2
85.06545	0.8
85.96938	0.6
86.09705	1.6
89.91097	0.5
90.45082	0.5
91.05482	4.1
93.07051	5.0
94.06584	0.8
95.04959	1.2
95.08621	2.9
96.08128	2.0
97.06477	0.6
98.06052	0.9
98.98473	6.1
100.07634	5.9
105.07056	9.2
107.04961	0.6
107.08602	5.4
108.08130	2.3
109.10175	1.2
114.05551	2.5
116.06319	0.6
116.07095	2.8
117.07031	4.5
119.08604	5.8
120.08112	1.6
121.06517	0.6
121.10165	2.0
122.08927	0.6
122.09656	3.7
123.04353	0.6
123.08075	0.7
123.10450	0.9
123.11797	0.7
128.06232	1.1
128.07082	6.3
129.07011	2.1
131.08582	10.8
133.10144	8.9
134.09593	0.8
135.08078	3.8
135.11717	1.1
137.62704	0.5
140.07043	0.7
142.07718	0.9
142.08662	5.1
143.08574	5.0
144.09352	1.0
145.10129	4.4
147.08057	0.7
147.11728	1.4
148.11220	0.9
154.08624	3.2
156.09314	0.9
157.10141	3.7
158.10930	3.3
159.11763	3.6
161.09639	1.9
161.13158	0.5
163.03922	0.5
168.10226	16.4
169.10190	1.2
171.11716	2.3
173.13280	11.4
175.14914	1.2
178.08664	6.6
180.10242	1.0
182.11783	0.7
184.12495	1.5
187.15083	0.5
188.14348	1.5
191.14380	1.5
192.10274	1.4
194.11743	1.4
199.14838	5.7
201.16423	1.6
202.15891	0.7
212.14305	0.8
214.15829	0.6
217.15878	4.1
232.13303	2.0
233.14133	1.8
234.15132	0.7
248.16463	0.9
258.14975	0.8
268.20593	0.6
269.19037	0.6
272.20227	1.2
273.17288	1.1
276.16061	2.0
284.16467	2.1
286.21719	0.6
302.17563	8.3
314.21249	3.2
314.26834	0.6
317.19846	3.1
332.22232	100.0
333.22409	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	332.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
54.02938	0.2
55.05499	0.6
56.05014	0.5
60.32685	0.2
61.59585	0.3
67.05473	0.8
68.05000	1.1
68.56482	0.3
69.03425	0.3
69.07047	0.3
69.18668	0.2
69.83916	1.4
70.06600	4.5
72.08131	0.8
74.02414	0.4
75.72068	0.2
79.05487	2.8
80.04999	0.6
81.06662	0.2
81.07065	2.8
84.04475	0.5
84.08111	0.9
86.09677	1.1
91.05486	1.4
93.07025	1.1
94.06572	1.6
95.04976	3.4
95.07358	0.3
95.08584	0.7
96.08110	0.7
97.06503	0.6
98.06045	0.4
98.20852	0.5
98.98476	2.9
100.03991	0.3
100.07640	1.4
105.07038	4.1
106.06554	2.3
107.07380	1.2
107.08585	2.1
108.08176	1.2
109.10162	0.3
114.05505	1.1
116.07063	0.3
117.07005	0.4
119.07328	0.3
119.08537	0.5
120.08104	2.3
121.06469	0.3
121.08864	0.5
121.10172	1.3
122.09668	1.9
128.07086	3.2
129.06993	0.4
129.10220	0.4
131.08580	3.7
132.08057	0.9
133.08856	2.7
133.10077	0.9
134.09645	2.4
135.08035	0.5
135.11601	0.2
136.06151	0.8
137.05978	0.5
138.09096	0.3
139.54530	0.3
140.07089	0.5
142.08644	0.3
143.08603	0.6
145.10121	0.6
146.09608	1.0
147.10474	0.5
147.11664	0.4
148.06131	0.3
148.11224	20.1
149.09592	0.2
149.12018	4.0
152.07072	1.2
154.08629	0.3
157.10078	0.4
161.09615	0.5
164.07060	1.2
166.08650	0.7
166.12288	1.2
168.10196	1.3
173.13208	0.9
178.08652	2.6
179.09435	1.2
190.10869	1.0
192.08539	0.4
192.10223	5.2
194.11780	100.0
195.12082	0.9
210.11250	0.8
213.09079	0.3
234.13512	0.6
251.08698	0.4
258.14914	0.3
276.16214	0.4
288.18283	0.6
314.21213	2.1
314.27008	0.5
332.22260	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	332.2222
Annotation	Tricalysiamide B
Peak:m/z	Relative Intensity
53.03936	0.6
55.05500	1.7
56.05019	0.5
57.07062	1.3
59.05013	0.5
67.05492	1.6
67.05831	0.4
68.05032	2.4
69.07059	1.5
69.42645	3.5
70.06599	14.8
72.08152	0.7
78.13863	0.4
79.05487	2.1
80.76299	0.4
81.07064	2.3
82.06593	0.5
83.08604	0.7
84.08146	0.6
86.09710	0.9
91.05494	3.2
93.07042	4.4
94.06607	1.0
94.98643	0.4
95.04961	1.1
95.08599	1.2
96.08124	1.8
98.06067	0.9
98.98460	1.7
100.07635	6.6
105.06387	0.7
105.07037	7.7
107.08594	5.8
108.08121	3.0
109.10144	0.9
114.05530	3.1
114.09196	0.8
115.05466	0.9
116.07096	1.7
117.07008	3.6
119.08581	6.3
120.08085	0.6
121.06471	0.6
121.10167	1.9
122.09712	3.0
126.09167	0.7
128.06229	0.9
128.07079	6.3
129.07030	1.4
131.07608	0.9
131.08580	13.4
133.09105	0.8
133.10115	8.2
134.09634	0.7
135.08066	4.5
135.11668	1.6
136.11160	0.5
140.07083	0.8
140.10661	0.8
142.07729	0.8
142.08664	6.4
143.08575	4.9
144.09398	0.8
145.10126	4.8
147.11687	2.0
148.11218	1.8
149.13220	0.8
150.09215	0.5
151.06250	0.8
154.08662	4.2
156.09265	0.5
157.10141	4.4
158.10950	3.0
159.11676	3.9
161.09613	1.7
164.07098	0.7
168.10211	20.2
169.10155	1.9
170.10854	0.6
171.11703	2.8
173.13264	12.6
175.14780	1.4
178.08661	7.0
180.10222	0.9
182.11769	1.2
184.12538	1.3
185.13344	0.5
188.14368	0.9
189.16386	0.5
191.14333	1.3
192.10197	1.4
194.11783	10.9
199.14845	4.7
200.14430	0.6
201.16362	1.3
202.15910	0.7
212.14394	0.5
217.15892	3.5
232.13351	1.7
233.14079	0.9
234.14981	0.7
237.73579	0.4
248.16463	1.4
254.19252	0.5
258.14972	0.9
262.14328	0.5
266.96820	0.4
272.20099	1.3
273.17224	0.6
276.15915	1.5
277.12140	0.4
284.16504	1.1
300.05746	0.5
302.17554	7.8
314.03189	0.5
314.21118	3.0
317.19852	3.2
332.22211	100.0
333.22488	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.2
55.01870	0.2
55.05507	0.6
56.05030	0.2
60.04526	1.3
61.02924	0.3
64.86202	0.2
65.03934	0.2
67.05490	0.6
68.05013	0.8
69.07062	0.4
70.06597	3.7
70.39571	0.7
71.04974	0.2
72.08162	0.9
74.02417	0.5
79.05494	2.0
80.05019	0.5
81.03407	0.2
81.06659	0.2
81.07064	2.2
84.08146	0.5
85.02883	0.3
86.09710	6.1
87.05576	0.8
87.10033	0.3
91.05478	1.4
93.07064	1.1
94.06572	1.3
95.04976	3.2
95.08595	0.2
96.08131	0.5
97.02881	0.3
97.06528	0.5
98.06045	0.6
98.98490	0.9
100.07614	1.5
103.05376	0.2
105.07045	3.0
106.06558	1.8
107.07347	0.8
107.08596	1.8
108.08107	1.3
114.05547	1.1
116.07093	0.3
117.07032	0.4
119.08578	0.7
120.08116	2.1
121.08871	0.6
121.10159	1.0
122.09653	1.9
128.06218	0.3
128.07100	2.7
128.10719	0.6
129.07008	0.3
129.10252	0.3
131.08580	3.0
132.08093	0.2
132.10190	0.4
133.03548	0.2
133.07932	0.3
133.08868	2.2
133.10117	1.1
134.09641	1.7
135.08022	0.2
136.11189	0.2
138.09192	0.2
140.07034	0.6
142.08647	0.3
143.08563	0.5
145.10095	0.6
146.09637	0.9
147.10478	0.3
148.11214	16.9
149.12009	3.0
150.12761	0.3
152.07127	0.9
157.10130	0.4
158.11014	0.2
161.09627	0.6
164.07106	1.3
166.08623	0.5
166.12300	1.1
168.02786	0.2
168.10226	1.0
173.12885	5.4
178.08630	2.0
179.09430	1.0
191.14323	0.2
192.10185	5.0
194.11771	100.0
195.12061	0.9
199.14825	0.4
201.12378	1.3
210.11250	0.6
226.16002	0.2
314.21204	1.5
332.22198	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	332.2181
Annotation	Ser Leu Ile
Peak:m/z	Relative Intensity
60.04531	21.2
67.89612	0.5
69.07082	1.5
69.42453	0.6
69.42849	3.0
70.02955	1.2
70.06592	1.6
71.66207	0.4
72.04525	0.9
72.08164	2.5
80.06937	0.4
81.07053	0.5
84.08151	1.0
85.02899	0.6
86.09715	87.7
86.36879	0.5
87.05080	1.0
87.05602	15.2
93.07081	0.4
98.06092	0.6
98.98485	2.5
108.05639	0.5
110.09657	0.9
112.11269	1.0
120.08076	0.6
128.10736	10.3
129.10274	0.8
130.06584	1.2
132.10233	6.4
143.11888	0.5
161.74583	0.4
163.73849	0.4
173.12878	100.0
174.13257	0.9
181.90671	0.5
194.11746	1.5
198.47322	0.4
199.18015	0.4
201.12366	24.8
219.13472	1.4
245.18631	2.0
248.83426	0.5
271.12549	0.5
328.12341	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05283	0.8
55.05513	5.2
56.05040	13.4
56.40168	0.6
57.03431	1.1
58.06598	7.0
60.04512	2.7
64.86979	0.6
67.05501	0.8
69.07069	3.2
70.06602	7.9
70.72204	0.9
70.72547	1.4
71.93010	0.6
72.08160	50.1
73.04031	2.2
74.06084	29.4
82.06594	0.8
83.04993	0.6
84.04511	10.5
84.08149	13.3
85.08468	1.4
86.09711	34.7
87.05571	1.2
88.03998	1.2
89.10783	0.8
93.07027	1.3
95.04452	0.6
95.06126	0.7
96.08154	0.8
98.06089	1.0
98.09700	1.3
98.98484	7.3
101.07149	25.3
102.05530	1.6
107.08525	0.6
108.08109	1.7
109.10178	0.6
110.07182	3.3
110.09672	4.8
112.07599	2.2
112.11249	4.0
116.07133	0.7
119.65353	0.7
120.08120	1.8
123.04409	0.9
127.12322	0.7
128.10727	15.1
129.10234	11.7
129.11131	1.0
130.10524	0.8
132.10184	2.6
142.12268	3.2
143.08093	0.7
143.11824	2.5
144.06616	1.1
155.11771	2.2
158.06090	1.0
162.07642	1.3
163.03900	1.4
169.13503	0.6
170.06046	0.7
173.12868	100.0
183.11249	0.9
187.14429	23.3
198.05548	1.2
201.12347	29.7
215.13936	7.4
217.49849	0.7
219.13438	2.3
231.17065	2.7
234.99080	1.5
236.06592	0.7
244.06026	3.8
244.08243	0.7
253.09377	0.7
262.07126	0.8
304.10248	0.7
315.13123	1.5
332.16174	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	332.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41027	0.4
55.01875	0.5
55.05516	1.3
56.05031	0.9
56.65908	0.4
58.06599	0.5
60.04531	19.8
67.05499	0.5
68.05035	0.5
69.07076	9.1
69.17990	2.9
69.18393	0.7
70.02943	0.7
70.06590	2.9
72.08166	3.5
74.06104	0.4
74.98851	0.3
76.66160	0.4
78.74242	0.4
79.05499	0.6
81.03435	0.9
81.07064	1.1
83.05001	0.6
83.08619	0.4
84.04495	0.6
84.08157	2.7
86.06066	0.8
86.09714	100.0
87.04489	0.8
87.05598	7.0
87.10056	0.6
88.03956	0.5
91.05482	0.8
93.07049	0.9
95.04990	0.9
95.06091	0.4
95.47809	0.5
97.02895	0.4
98.06044	1.0
98.98485	4.0
100.11262	0.5
101.02956	0.4
104.07121	0.4
105.06596	2.2
108.08147	0.5
110.07201	0.4
110.09690	1.3
112.11276	0.6
120.08090	0.7
122.02748	1.0
123.04485	0.5
128.10732	9.9
129.10274	0.8
130.06583	0.7
131.08601	0.5
132.10217	7.1
145.02788	0.4
155.11803	0.9
173.12875	82.9
174.13199	0.9
175.11227	0.4
182.87979	0.4
183.11374	0.4
193.12302	0.7
201.12360	22.1
211.13271	1.5
219.13426	9.7
230.15053	0.4
245.18452	0.4
262.95694	0.5
270.16824	0.4
314.15231	0.6
314.19733	2.4
332.13864	1.5
332.21707	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14750	0.3
55.05507	1.3
55.75809	0.3
56.05031	0.5
60.04531	22.2
67.05501	0.7
69.07074	8.2
70.02973	0.8
70.06602	2.5
70.45774	1.2
72.08163	3.2
79.05502	0.7
81.03433	1.0
81.07047	0.9
83.04993	0.5
84.04498	0.6
84.08142	1.9
85.02909	0.7
86.09713	100.0
87.05598	8.8
91.05486	0.8
93.07030	0.7
95.04988	0.4
97.06525	0.4
98.06030	0.6
98.98464	3.7
100.11267	0.5
105.06607	2.1
107.04974	0.4
108.08073	0.5
109.88866	0.3
110.09676	1.5
112.11287	0.5
114.09180	0.6
120.08151	0.7
122.02727	0.8
128.10732	10.4
129.10275	0.6
132.10225	7.1
138.03659	0.4
155.11772	0.5
158.08202	0.4
163.03912	0.4
165.07280	0.5
173.12875	95.9
174.13196	0.8
201.12364	25.2
211.13326	1.3
219.13428	9.3
245.18674	0.8
246.91873	0.4
283.41193	0.4
298.02545	0.3
314.19669	1.5
332.14001	1.2
332.22070	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	11.2
57.03430	7.3
57.07081	100.0
67.05508	29.4
69.07076	19.2
70.06602	2.5
70.12620	8.8
71.08636	66.3
75.04475	3.3
79.05499	4.0
81.07066	35.8
83.08619	28.5
84.59637	2.1
85.10183	38.4
88.07627	2.2
91.78668	2.2
93.07030	4.0
95.08616	56.6
97.10181	14.4
98.21431	3.5
98.98472	99.1
100.98907	4.0
106.08666	2.8
108.41122	2.2
109.10156	26.9
111.11741	3.5
123.11713	9.6
137.13229	4.2
151.14850	2.6
174.99181	2.6
176.98940	6.7
239.23717	17.8
257.24759	7.6
264.87009	2.1
278.63760	2.0
313.27411	54.8
331.08353	2.3
331.33981	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2844
Annotation	Monopalmitin
Peak:m/z	Relative Intensity
55.05524	11.9
57.03453	8.6
57.07080	100.0
67.05182	2.2
67.05505	26.8
69.06794	1.6
69.07078	18.1
69.19183	1.8
70.06585	3.2
71.08638	67.1
72.08979	1.9
75.04488	2.8
81.06601	2.8
81.07064	39.2
83.08157	2.2
83.08625	28.7
85.09730	2.7
85.10187	37.4
88.07635	5.5
91.05451	2.7
95.08617	53.6
95.63866	1.6
97.10170	11.6
98.98473	47.9
99.11722	4.7
102.91309	1.8
106.08665	4.5
109.10177	25.9
111.11678	3.5
119.08563	2.0
123.11720	13.1
125.13202	2.5
130.34853	1.9
137.13222	4.3
139.14857	1.8
151.14821	2.4
174.99141	1.9
176.98882	2.5
221.22438	2.2
239.23741	15.8
251.38760	1.5
257.24841	8.0
313.27399	59.0
313.32904	4.1
331.18939	2.0
331.34033	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2844
Annotation	Monopalmitin
Peak:m/z	Relative Intensity
55.05516	14.7
57.03440	8.2
57.07082	100.0
67.05507	28.0
69.07076	17.5
70.06603	4.3
71.08640	66.8
71.95975	1.8
75.04485	4.4
76.99545	1.8
81.07063	39.4
83.08625	24.5
84.40305	2.3
85.10187	33.9
88.07645	4.8
89.06044	4.5
89.07161	1.8
89.08003	1.9
93.07045	3.5
95.08614	48.4
97.10163	11.1
98.98483	29.9
99.11749	2.4
106.08685	3.2
109.10178	25.2
111.11749	4.9
123.11687	14.7
125.13296	3.5
137.13283	4.9
143.43292	2.0
221.22632	2.5
239.23755	19.1
257.24820	9.0
307.55569	2.5
313.27380	60.3
313.33066	2.5
331.34030	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2484
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
55.05520	7.1
57.07068	1.1
65.03951	1.0
67.05521	11.8
69.03414	1.0
69.07082	4.8
69.95023	4.6
70.06599	2.3
71.04990	3.2
72.08176	1.5
74.59099	1.1
77.16212	1.0
79.05505	9.3
81.07070	12.6
83.04980	1.8
83.08626	2.0
84.08154	1.9
85.06549	1.9
91.05491	5.7
93.07056	11.6
93.85555	0.9
95.08620	12.5
97.06538	2.0
97.10193	2.5
98.98483	100.0
100.98887	2.7
105.07065	2.9
107.08603	6.5
109.10176	4.7
116.99480	1.5
117.79825	1.0
119.08602	3.6
121.06490	1.2
121.10160	10.2
123.08106	1.9
123.11731	1.4
125.09672	1.6
131.08543	1.8
133.10147	3.4
135.08092	1.3
135.11722	5.7
139.11194	1.6
140.01006	1.1
145.10190	1.9
147.11702	2.0
149.13304	2.6
151.07570	1.9
159.11687	1.8
165.12833	1.5
171.11691	1.1
174.99265	4.3
176.98955	6.7
190.05074	3.5
203.12842	1.3
207.79677	1.1
259.20724	2.2
277.21652	10.1
285.12335	2.6
295.22858	2.8
295.93481	1.0
301.03482	1.6
331.08133	3.2
331.12103	1.0
331.18945	1.0
331.22495	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	331.1293
Annotation	Miraxanthin-III
Peak:m/z	Relative Intensity
50.13633	0.5
54.46549	0.5
55.01872	3.5
55.05509	2.2
56.05040	0.9
57.07074	0.5
57.65421	0.6
60.04528	12.1
61.04859	1.5
62.06102	5.6
67.05506	5.2
68.05833	0.8
69.03434	1.3
69.07073	1.8
70.06596	6.0
71.04996	0.8
71.50264	0.8
72.04524	0.6
72.08163	7.1
79.05480	3.2
80.05042	0.8
80.24522	0.6
81.07066	4.9
82.06577	1.2
83.04971	1.3
83.08620	0.8
84.04510	1.5
84.08154	3.8
85.02935	0.7
86.09702	2.9
89.10813	0.5
91.05490	3.1
92.05790	0.9
93.07037	3.1
93.74355	0.6
94.06581	2.6
95.04958	1.6
95.08614	3.5
97.06524	1.2
98.06090	1.2
98.98475	98.1
100.98891	2.3
103.05492	0.7
105.07056	2.3
106.06568	2.1
107.08611	2.0
108.04486	3.5
108.08179	0.7
109.06525	0.7
109.10165	2.5
110.06052	1.0
111.04447	1.1
112.07606	0.6
115.05428	0.8
116.07087	1.0
116.99512	1.9
117.06992	0.9
119.08591	1.5
119.31876	0.6
120.08128	2.1
121.06513	1.0
121.08499	0.7
121.10143	1.4
122.06047	3.5
123.08035	0.9
124.07550	1.0
129.05466	0.6
129.10258	1.3
131.08568	1.1
132.08069	0.7
133.10182	0.7
134.06036	2.4
135.08054	1.3
135.11742	1.0
136.03934	2.3
136.79782	0.5
137.05988	1.4
143.08543	0.9
144.08078	1.1
145.10062	0.9
146.06032	1.1
148.06329	0.6
148.07568	1.4
149.09644	0.7
150.05562	1.2
152.07103	0.7
158.06134	0.6
161.07126	1.9
162.05489	7.8
164.07112	2.4
164.38708	0.7
166.05067	0.7
168.06570	1.9
168.07884	0.6
169.08794	0.7
170.08252	1.4
170.09608	1.3
172.11139	0.8
173.10748	1.3
174.99274	3.2
175.07381	0.8
176.07069	1.4
176.98920	8.0
183.09262	1.3
184.07620	0.9
184.11208	1.3
186.07799	1.1
187.08679	3.2
187.12395	1.2
189.06601	8.3
196.09926	0.8
197.10857	0.7
198.09192	1.8
199.08691	1.8
200.09447	2.3
201.10294	6.8
203.08173	3.3
211.08759	1.1
211.12296	0.7
212.07191	0.7
212.10860	1.0
213.10280	2.3
214.07379	1.7
214.12514	1.1
215.08183	11.9
215.11826	5.4
222.47472	0.6
225.10185	1.9
226.08806	1.3
229.06137	1.4
229.09734	13.0
229.13426	2.2
231.11194	0.8
236.13213	0.6
239.08284	1.1
239.11717	3.1
240.10146	1.5
241.09810	2.1
241.13382	0.8
242.10439	0.7
243.07973	3.0
243.11415	6.5
247.14493	1.1
252.08826	0.7
252.23347	2.7
252.99799	0.9
253.09776	1.3
254.10576	1.2
255.11232	1.1
257.09229	8.8
257.12936	6.1
259.10800	1.6
267.11383	3.8
268.09793	0.8
269.09256	0.9
271.10852	7.1
275.13840	3.2
278.24869	4.8
285.12393	10.4
295.10764	4.5
295.24612	0.8
295.27505	2.3
296.25693	0.6
298.04599	0.7
301.03470	1.9
303.13351	4.5
313.11844	20.7
313.15530	1.1
313.17368	0.9
313.25565	1.3
313.28564	11.4
314.12781	0.7
330.21194	0.6
331.12906	100.0
331.19528	3.3
331.26645	6.6
331.29672	7.7
332.13168	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	331.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.2
55.05505	0.5
67.05515	0.9
67.77180	0.4
69.15735	4.6
75.49889	0.5
79.05482	0.6
81.07058	0.6
82.27368	0.4
83.01328	0.5
84.08134	0.7
86.44846	0.4
87.55337	0.4
87.82536	0.4
91.05488	1.3
93.07043	1.1
95.04963	1.2
95.08598	0.9
98.98474	40.2
100.98890	1.0
105.07012	1.5
107.08582	0.8
109.06519	0.6
116.99498	0.8
118.04166	0.6
119.08568	0.9
121.06527	0.8
123.04436	0.6
123.08016	0.6
131.08574	0.6
133.06506	4.1
135.04568	0.4
137.05966	3.0
145.10106	1.1
146.03629	0.6
149.06000	0.9
151.03912	52.0
151.07542	5.5
159.11731	0.5
161.05994	16.1
162.06410	0.6
163.07552	0.9
165.05516	1.9
174.99260	1.5
176.98904	1.6
179.07048	19.7
185.13249	0.4
189.05429	2.7
207.06540	100.0
208.06816	1.3
252.07779	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30399	1.2
55.05500	5.5
57.03421	2.1
57.07067	2.9
57.59719	1.0
60.04514	3.7
67.05247	1.1
67.05510	12.7
69.07066	3.5
70.06606	2.1
71.50398	1.1
71.50806	1.7
79.05483	5.1
81.07060	10.2
83.04967	2.1
83.08622	3.7
87.04446	4.5
88.07634	2.9
91.05466	4.5
93.07037	4.7
95.04943	1.9
95.06045	1.6
95.08601	3.9
98.98475	100.0
101.06010	1.9
105.07043	1.9
107.08559	3.1
109.10165	11.6
110.23791	1.3
111.08044	1.4
112.08755	1.2
116.99509	1.3
119.08527	3.8
121.10194	1.3
123.11683	2.1
129.06996	1.7
131.08603	1.4
137.09557	1.8
139.11179	1.4
155.10622	1.8
161.13269	1.2
165.62529	1.3
173.11768	11.3
174.99203	3.6
175.99622	1.8
176.98915	4.8
221.96429	1.5
246.90172	1.2
247.44034	1.3
270.27982	1.5
273.80069	1.4
277.21573	1.8
330.29956	10.1
330.33585	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	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	6.5
55.05518	29.3
56.05032	2.9
56.96559	3.8
57.03440	6.4
57.07078	7.1
65.03913	2.8
67.05510	65.3
69.03444	3.4
69.07069	24.4
70.06589	4.3
71.05005	5.8
79.05502	25.6
81.03429	6.7
81.07063	52.4
83.04977	10.1
83.08617	14.8
85.06540	4.4
87.04474	9.1
88.07667	3.7
91.05483	21.8
93.07051	26.8
95.04964	9.0
95.08608	27.8
97.06520	7.4
97.10180	9.7
98.98471	100.0
101.06001	3.5
105.07033	15.3
107.08576	18.1
109.06512	3.2
109.10170	29.2
116.99558	3.4
119.08594	18.1
121.10162	12.3
123.11723	5.3
125.09644	13.1
129.07039	3.6
129.09795	2.8
133.00519	2.9
133.10141	8.9
135.11726	8.4
137.09592	3.8
139.11180	14.0
147.11670	7.1
149.13232	3.0
151.11137	3.1
154.12250	4.1
155.10695	11.5
157.10106	3.1
159.11720	3.3
161.13278	5.3
171.11681	3.3
172.13364	11.4
173.11774	23.3
174.99286	4.1
175.11230	3.3
176.98996	7.7
189.11328	4.6
193.12268	5.8
211.13379	6.4
212.36981	2.8
229.07414	3.3
236.02756	2.8
259.20572	5.1
270.27902	3.6
277.21671	26.4
295.22672	14.3
330.30106	10.7
330.33740	8.6
331.18939	7.0
349.16977	15.8
354.34753	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	330.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.0
55.05514	22.9
57.03439	6.7
57.07076	10.9
58.06604	6.1
65.69804	2.7
67.05511	38.7
69.03413	3.4
69.07067	16.1
69.67587	4.5
69.68003	12.5
70.06594	6.3
71.05000	3.6
71.08632	16.4
72.08164	21.6
79.05511	16.7
81.03454	4.0
81.07072	36.3
81.28520	3.3
83.04976	3.1
83.08649	14.0
83.67212	2.7
85.06541	3.1
87.04475	9.3
88.07635	10.3
91.05486	10.8
93.07035	19.3
95.04984	4.9
95.08630	16.6
97.06499	3.7
97.10174	18.6
98.47941	3.0
98.98476	92.1
99.08102	7.9
101.06036	16.3
102.09167	3.0
105.07046	8.2
107.08607	12.6
109.10155	15.6
111.08070	4.3
119.08597	10.8
121.02864	4.4
121.06493	3.1
121.10120	3.9
122.06844	3.6
125.09638	15.7
133.10120	4.9
147.11768	3.5
149.13205	3.1
150.06348	3.7
151.11249	4.2
155.10738	4.9
156.17471	15.2
161.13374	3.9
167.07114	3.9
168.07465	4.4
170.19049	5.7
171.10222	3.7
172.13318	3.6
173.11746	10.0
174.99348	3.7
176.98967	4.5
179.14354	3.7
189.11247	15.2
211.13344	3.6
256.26291	7.8
259.20331	3.0
268.29984	27.5
277.21548	17.7
295.22763	7.5
330.30045	26.3
330.33713	100.0
331.19714	3.4
353.85120	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	330.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38775	2.4
53.03948	4.0
53.73683	2.3
55.01877	5.9
55.05275	3.8
55.05516	53.5
57.03441	3.2
57.07075	3.4
61.85972	2.4
67.05502	18.7
69.03420	10.3
69.07083	11.8
69.97949	11.9
70.63208	2.7
71.08628	6.8
79.05502	12.9
81.07063	19.9
83.04987	5.3
83.08629	36.8
83.75420	2.3
85.06532	3.9
85.92265	2.3
91.05491	4.4
93.07053	9.7
95.05022	3.0
95.08569	3.6
97.06570	2.7
97.10178	81.2
98.20891	2.7
98.97878	3.8
98.98477	62.4
99.08100	6.8
105.07046	6.7
107.08590	24.0
109.10194	5.1
117.07032	4.3
121.10133	4.8
125.08775	4.6
125.09643	67.1
130.06451	2.8
135.08034	7.8
143.10719	3.5
144.41124	2.6
146.49583	2.3
147.11665	2.8
151.11154	6.8
153.09155	3.4
161.13316	3.2
163.11156	3.7
171.10207	21.1
174.99289	3.3
179.14351	2.9
189.11224	100.0
221.93413	2.6
235.16747	2.7
249.71758	2.7
259.20593	5.9
277.21634	62.1
295.22659	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	330.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00234	0.4
52.83445	0.3
55.01856	0.5
55.05512	4.4
56.05032	1.6
57.03444	0.5
57.05799	0.5
58.06602	0.7
59.04998	0.7
60.04512	0.8
62.90218	0.3
67.05499	1.1
69.07071	7.5
69.44296	2.8
70.06594	10.9
71.04968	0.6
71.06906	0.8
72.08160	50.2
73.08496	0.9
74.06089	1.1
79.05468	0.6
81.07050	0.7
83.06138	0.5
83.15971	0.4
84.04512	3.1
84.08154	9.2
85.02891	0.9
85.29866	0.4
86.09710	100.0
87.04476	0.9
87.10061	0.6
88.04000	0.9
91.05492	2.9
92.05814	1.2
95.04957	0.6
95.06094	1.0
96.04531	0.5
97.04027	0.4
97.06549	0.7
98.06068	0.8
98.09727	0.5
98.98473	36.4
100.07605	0.5
100.98875	0.8
102.05546	0.5
103.07588	0.7
105.07059	0.8
107.04967	1.1
107.08578	0.5
110.07182	1.1
112.08752	0.5
112.11237	1.0
114.05542	0.6
116.07104	0.8
116.99481	0.6
118.08674	1.8
119.04996	1.9
119.08583	0.6
120.05273	1.1
120.08130	2.4
120.08849	0.4
121.06535	0.5
121.08411	1.0
123.04429	0.6
127.03876	0.5
129.10248	3.7
129.13881	0.5
130.04999	0.6
130.08665	0.4
136.06485	0.7
136.07574	9.1
136.08577	0.7
137.06039	0.4
137.07936	5.8
140.10625	0.4
147.04424	0.4
150.09183	0.8
156.07724	0.5
159.07899	0.5
163.03897	0.6
166.08664	0.7
167.10306	0.4
168.10219	1.6
174.99277	1.6
176.98964	1.6
185.16501	40.1
186.05531	0.6
186.16812	0.5
192.06566	0.6
199.08740	1.6
199.10498	0.4
204.10208	0.5
213.15997	19.9
213.46172	0.4
217.15503	5.8
227.11938	0.6
228.07643	0.7
269.14063	0.7
270.12366	2.5
271.10709	0.8
284.09564	0.5
295.11905	1.0
298.14279	0.5
312.14713	3.1
312.18066	0.7
313.12952	0.6
330.16412	2.8
330.20297	0.6
354.44241	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.3
55.05514	7.1
56.05035	0.7
57.05816	0.9
58.06612	0.4
60.04546	0.5
66.70892	0.3
69.07076	0.7
70.06593	2.3
71.26411	0.7
72.08160	100.0
74.06066	0.4
84.04501	1.1
84.08152	3.5
86.09714	25.0
91.05475	0.5
95.06161	0.4
97.06561	0.5
98.98478	11.7
100.07616	0.3
106.09229	0.4
109.10230	0.3
117.17140	0.3
118.08654	0.5
120.08129	0.4
123.04479	0.5
127.05070	0.9
127.83692	0.3
129.10269	1.1
130.08737	0.5
132.10228	1.2
136.07590	0.4
142.08630	0.4
171.14943	29.0
172.13446	0.4
174.99278	0.4
176.99023	0.4
178.12329	0.6
185.16510	12.0
198.11380	0.4
199.14430	15.3
213.15996	5.7
217.15605	1.1
231.17032	3.2
250.80304	0.3
312.18109	1.0
330.16324	0.6
330.19434	1.5
330.23126	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.3
55.05501	1.2
56.05036	1.8
56.96563	3.5
57.62540	1.3
58.99861	3.1
59.99947	1.8
60.04520	1.6
68.98279	1.4
69.03424	5.7
69.07047	1.2
69.27345	1.2
69.35011	9.4
70.06599	23.4
70.75655	1.4
70.99861	4.8
71.06927	2.7
71.99921	3.1
72.08163	9.2
73.01439	1.8
74.01521	1.9
74.06064	1.6
77.00907	1.7
78.00974	1.4
84.04503	3.8
84.08154	16.5
85.02913	2.8
85.08468	3.2
86.09715	48.0
86.99326	2.5
90.01024	1.8
91.02464	1.9
92.02547	1.6
95.30101	1.2
96.05525	1.2
96.08095	1.1
97.02895	3.5
98.06059	2.0
98.97610	3.4
98.98473	23.7
100.98942	1.3
101.00903	5.0
106.05064	1.8
110.07201	1.5
110.09618	1.4
113.00876	2.4
114.04081	1.4
116.05640	1.3
116.07140	2.4
116.98586	5.5
118.08665	2.7
119.01916	4.7
119.03603	1.6
120.01981	1.5
122.06055	1.5
126.07628	2.0
129.10236	5.0
131.01903	3.9
133.03458	3.8
134.99626	1.8
136.06198	100.0
142.07117	10.2
143.01955	1.3
144.02032	1.3
144.08708	7.0
145.03510	3.7
146.03546	2.6
146.10263	4.4
149.01239	1.5
149.02956	3.1
150.03093	1.8
150.05521	12.7
151.07466	1.4
152.03162	1.3
154.07133	5.9
155.05556	2.2
156.05026	1.4
156.08733	3.7
156.99844	1.4
157.03517	2.0
157.99986	2.9
158.03758	1.7
158.10280	3.6
159.04961	2.7
160.05194	5.5
160.08224	9.5
161.02930	2.7
161.04797	1.7
162.09718	4.9
164.04631	1.5
164.11325	5.8
168.05232	1.7
168.06573	6.1
170.06476	1.5
172.08208	40.9
173.03000	1.6
174.09790	20.7
175.00883	12.4
176.01091	7.5
176.11346	2.8
177.00853	1.9
177.06082	1.9
178.06180	4.6
178.12863	1.8
183.04912	1.5
186.03101	1.5
186.06128	1.5
186.09740	1.6
189.02443	1.6
190.07570	2.1
190.09233	12.0
191.07797	1.6
193.02126	1.7
198.04570	1.7
198.06219	3.8
199.02737	7.9
199.06355	2.1
203.00359	1.9
203.65532	1.3
204.04030	1.9
204.10873	16.3
208.10306	11.9
212.02249	1.7
212.07437	3.1
214.02551	1.5
214.09323	1.3
216.04298	4.4
216.07152	2.2
216.11024	1.4
216.98717	3.0
217.03844	3.9
219.01859	2.1
220.02104	1.5
222.11871	25.9
224.07764	2.1
226.09229	1.5
230.03337	1.6
234.99597	2.0
240.07086	1.6
242.02133	1.8
242.08717	5.6
244.03783	4.2
244.10295	3.0
249.00880	1.4
260.03397	2.9
260.09879	7.3
261.02786	4.2
262.04755	5.9
262.11371	8.3
269.01306	2.4
270.01593	16.5
270.08258	52.6
278.10934	3.6
288.03012	6.5
288.09280	26.9
288.14478	2.3
289.04153	2.8
298.07767	21.0
302.04294	2.7
302.11078	2.9
307.03061	2.1
311.10852	2.3
316.08871	10.8
330.06039	18.7
330.10431	8.2
330.16888	1.6
348.11453	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	329.1021
Annotation	Cudratricusxanthone L
Peak:m/z	Relative Intensity
52.53569	0.4
55.05505	0.5
65.89992	0.3
66.80215	0.4
67.05505	1.0
67.20439	0.3
69.07041	0.4
69.17046	0.4
70.67750	0.4
70.68060	0.7
72.19423	0.4
79.05523	0.5
81.07036	0.7
85.91212	0.3
91.05479	0.7
93.07042	0.9
95.08607	0.8
98.98472	73.4
100.98850	0.8
105.07039	0.7
107.04854	0.5
107.08579	0.6
109.10151	0.7
111.08049	0.4
116.99508	1.0
137.97702	0.4
167.03371	1.1
173.11751	0.4
174.99219	5.2
176.98955	2.6
192.04256	0.4
219.77477	0.4
227.07262	0.5
242.05754	0.9
252.99722	0.6
256.07297	4.1
267.06369	0.9
268.07358	1.8
270.05225	1.7
283.06055	0.8
284.06824	1.3
285.07587	17.1
286.08121	1.0
298.04651	0.8
299.05505	2.7
300.06213	3.9
311.05475	3.0
313.07071	61.7
314.07840	9.0
329.10214	100.0
330.10556	1.6
346.73087	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
55.05518	1.4
56.05040	2.6
56.96562	1.2
58.06606	1.7
58.99866	9.0
68.05039	2.0
69.03442	2.3
70.06599	100.0
70.99866	14.7
72.08163	12.7
73.01423	6.7
74.06077	2.0
77.00913	6.7
81.03434	0.8
82.06583	0.8
82.99838	0.9
83.06104	2.7
84.04513	2.2
84.08151	47.2
85.02890	0.6
85.04051	1.1
86.06083	1.6
86.09718	3.3
86.99345	1.1
87.04477	0.6
89.00910	6.9
91.02469	12.0
94.06604	0.6
95.01965	1.4
95.04958	0.6
95.06089	0.6
97.02896	0.9
98.06078	1.2
98.09690	0.9
98.98476	82.0
100.07598	0.9
101.00882	7.0
101.10792	1.8
103.00628	0.6
103.02435	1.5
105.00408	0.8
105.04040	0.6
107.01950	0.7
109.01429	0.8
109.03503	3.1
110.04502	0.5
110.06034	0.6
110.07184	2.3
111.09222	0.9
112.07623	1.7
112.11245	2.2
113.00886	2.6
113.07138	6.1
115.02433	1.9
116.07108	2.7
116.99520	1.3
117.04029	0.6
118.08674	4.1
119.01933	11.1
122.06049	0.6
123.09214	0.8
125.00884	1.6
125.07153	1.0
126.49191	0.6
127.02410	3.6
127.08693	0.8
128.05597	5.2
129.00357	0.6
129.03998	4.4
129.10252	8.4
131.01912	7.9
133.01703	1.1
133.03488	3.5
133.04631	1.9
136.06203	2.5
136.07541	0.8
137.02965	1.4
139.02553	0.6
139.08714	1.0
141.03981	2.6
141.10278	0.6
142.07162	4.0
143.01935	6.8
143.05562	2.0
144.02719	2.5
144.05161	0.6
145.03485	16.0
146.06635	1.8
147.01382	2.8
147.05006	2.5
149.02971	14.6
151.04575	0.8
151.08717	1.8
153.05061	0.7
154.01419	1.1
154.03513	0.8
155.01888	1.4
155.11794	0.8
156.05078	0.8
156.97531	0.7
156.99844	5.7
157.03505	11.6
158.06647	0.6
159.01414	0.9
159.05060	22.1
159.06404	1.1
160.08195	2.6
161.03017	4.7
161.06590	0.9
162.03760	1.9
163.04568	9.0
165.00804	0.7
165.02448	1.1
166.01358	0.7
166.09758	1.0
167.01871	1.1
167.04042	1.6
167.05421	0.9
168.11264	0.7
169.03439	1.5
169.09705	0.6
170.06624	1.2
171.01419	1.8
171.04948	0.9
171.06180	5.6
172.04553	1.5
173.02934	2.3
173.06543	0.9
173.98389	0.6
174.99263	7.1
175.00874	48.7
175.04430	3.6
176.01707	0.7
176.07678	0.7
176.98959	2.9
177.00964	1.5
177.02489	1.6
177.06099	17.9
179.00603	1.2
181.01974	0.9
181.05469	0.6
182.06610	1.0
183.11273	0.7
183.14925	4.9
185.02954	6.9
185.06389	0.9
185.07745	1.9
186.12373	1.0
187.04434	3.2
188.00862	0.9
188.07803	1.1
189.02458	8.8
189.05946	0.7
189.07262	9.0
191.03923	1.8
191.07626	0.7
192.11322	0.8
193.01967	10.3
194.12903	1.1
194.51015	0.7
196.06122	0.7
196.14488	1.4
197.01399	1.0
197.03075	2.8
198.02495	0.9
198.06172	1.4
199.02663	0.9
200.07657	4.5
201.02461	0.9
203.00432	2.5
203.02277	1.2
203.04015	10.9
203.08850	3.1
207.03496	5.2
209.02890	0.8
212.13898	1.1
213.00214	2.0
213.02475	5.6
214.11990	0.8
215.04065	12.2
216.07088	1.3
217.01894	1.9
217.03738	0.8
218.08650	1.1
219.00148	0.9
219.01990	2.6
221.01581	1.7
221.05115	2.4
222.16034	1.5
225.02632	0.8
226.05638	2.5
227.04027	1.6
228.07176	0.6
229.01389	0.7
229.05516	1.8
231.03642	2.8
233.05052	2.0
235.01151	0.8
235.03117	4.8
237.00885	0.7
240.07199	1.6
241.02014	7.4
241.06766	0.9
243.01289	0.8
243.03577	15.2
243.08357	0.8
244.01631	1.2
247.03125	0.8
247.06512	0.8
249.01025	1.3
250.15718	0.8
251.00481	2.3
253.01979	0.7
254.05154	5.3
257.01645	0.7
257.04910	1.0
257.13586	0.8
258.01361	2.2
258.08298	1.9
259.03152	11.5
259.07751	1.7
261.04617	18.7
262.04837	0.9
262.99722	0.7
267.18149	3.2
268.06766	1.4
268.16687	0.9
269.01447	51.4
269.13416	1.3
271.03088	1.4
275.06195	1.4
276.17053	1.0
277.04095	1.3
279.02255	1.2
283.03229	2.8
285.19232	4.0
286.07697	6.9
287.02502	27.1
287.05447	1.4
292.03113	0.8
293.19788	2.9
297.01031	3.8
297.05753	6.8
301.04086	9.3
301.07544	0.9
301.08929	1.1
305.03732	2.9
305.06702	0.7
306.04745	1.0
311.02600	1.4
311.20749	1.1
315.01910	1.4
319.05289	3.3
329.03381	6.5
329.07867	3.8
329.14807	0.7
329.18582	1.0
329.22189	3.1
347.03964	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90145	0.3
55.05514	2.7
55.72730	0.3
56.05042	4.6
57.07072	0.7
60.04532	12.9
60.95385	0.4
67.05512	3.5
68.05058	0.4
69.07076	2.6
69.31654	0.4
69.85231	1.6
70.06622	0.6
71.08611	0.4
72.04517	1.6
74.06087	100.0
79.05504	1.8
81.07055	3.1
82.06588	1.1
83.08636	1.3
84.08161	0.6
86.06089	2.6
91.05508	1.3
93.07054	1.6
94.06562	0.6
95.08612	3.0
96.08127	0.8
97.06573	0.5
97.10250	0.6
98.09749	0.7
98.21397	0.8
98.98478	15.0
98.99133	0.7
105.06992	0.5
107.08609	1.2
109.10187	0.6
110.09679	0.4
112.07584	0.4
116.10742	3.1
119.08616	0.5
121.10165	0.6
130.08673	0.9
159.31987	0.4
163.71049	0.4
171.24211	0.4
174.99289	1.3
181.75195	0.4
188.88309	0.4
262.25479	0.5
275.85742	0.4
280.26501	1.4
292.26385	1.0
298.27362	1.0
310.24225	0.5
310.27515	1.1
328.15533	0.8
328.24875	2.7
328.28583	4.4
328.32108	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	8.1
57.03430	1.6
60.86415	1.2
67.05507	21.2
68.19746	1.3
69.07059	4.6
69.89435	6.5
71.05006	1.5
79.05495	16.5
81.03408	2.4
81.07063	15.1
83.05008	2.0
83.08629	3.6
91.05486	10.2
93.07053	14.3
95.04971	5.1
95.08601	9.9
97.06524	1.4
97.10194	3.1
98.20698	1.5
98.98472	100.0
105.07040	8.6
107.08601	10.9
109.10147	11.4
116.99473	1.5
117.07041	1.4
119.08596	7.2
121.10166	7.3
125.09635	2.1
131.08577	4.1
133.10115	5.4
135.11758	1.6
137.09615	5.3
139.11136	1.4
145.10101	2.0
147.11722	2.1
154.12323	2.2
155.10716	2.3
161.96808	1.5
162.13078	1.2
172.13322	3.1
173.11752	5.3
174.99232	6.5
175.09526	1.3
176.98949	1.9
189.11313	2.0
219.16965	1.3
227.75700	1.5
275.20068	5.7
297.03204	1.4
338.47897	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	328.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.8
55.01860	5.3
55.05279	3.6
55.05517	53.3
67.05505	16.4
69.03416	6.0
69.07079	22.8
69.37616	14.7
79.05495	30.7
81.07065	21.5
83.04969	4.2
83.08625	36.9
91.05498	10.4
93.07053	12.3
95.04969	2.2
95.08619	11.4
95.80367	2.0
97.06544	1.9
97.09548	3.9
97.10178	65.5
98.98475	100.0
101.09636	2.5
105.07038	15.6
107.04974	2.4
107.07880	3.9
107.08601	72.6
109.06496	3.6
109.10132	3.4
115.16235	1.9
117.06993	3.9
119.08564	6.6
121.10165	2.5
123.08054	2.2
123.11668	2.1
125.08782	3.5
125.09641	56.3
130.01888	2.3
131.08559	4.4
133.10143	10.6
135.08034	4.7
135.11751	2.2
143.10690	2.8
145.10107	7.6
147.11678	5.4
149.09627	5.5
153.09099	3.8
159.11703	4.1
161.13254	2.7
165.09079	2.6
171.10205	13.5
171.11476	2.5
174.99217	8.8
176.98923	2.9
179.14400	2.6
181.12300	2.6
189.11232	73.1
191.10852	2.1
211.35161	1.9
257.18997	6.2
275.20071	59.0
293.21158	3.8
312.12198	2.4
328.15323	3.5
328.25247	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	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	4.8
57.03425	1.5
67.05509	7.4
69.07080	5.0
69.92551	5.4
72.85126	1.1
78.20229	1.0
79.05486	4.0
81.07060	8.3
83.04971	1.1
83.08619	1.5
89.78584	1.0
89.85780	1.0
91.05496	4.9
93.07059	5.4
95.04983	2.0
95.08581	5.5
97.06558	2.7
97.10176	1.7
98.09700	1.7
98.20846	1.5
98.98474	100.0
105.07048	2.9
107.08591	4.0
109.10172	2.2
116.99506	1.6
117.07030	1.6
119.08595	2.2
121.10139	1.1
123.08145	1.2
125.09646	1.1
131.08612	1.7
133.10175	2.5
135.11670	2.4
145.10223	1.1
147.08025	1.5
147.11749	1.6
159.11703	1.9
164.51949	1.1
172.31902	1.2
174.99242	7.5
176.98924	3.5
255.32581	1.0
275.19980	4.7
283.17801	1.2
285.82034	1.1
312.12418	1.5
328.15579	2.1
328.18814	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	328.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	6.3
56.05038	1.4
60.30594	0.7
68.05045	0.9
69.07065	1.3
70.06597	51.2
70.93758	1.4
70.94080	1.0
71.06913	0.7
72.08158	76.9
73.06537	1.0
74.06066	1.5
82.06590	1.2
84.04527	2.5
84.08142	9.2
86.09711	95.0
87.10028	1.0
88.04008	1.1
91.40133	0.9
98.98472	37.5
102.63354	0.8
103.05466	1.3
103.40406	0.8
116.07098	100.0
117.18851	0.8
120.06557	1.1
120.08104	4.6
127.08626	0.8
129.10237	4.0
136.07599	1.1
141.10162	1.2
142.08615	1.4
163.03894	0.8
174.99231	2.7
176.99019	1.2
185.16501	44.0
187.10796	6.5
195.11211	0.9
201.12421	2.8
213.15974	20.9
215.10320	2.1
215.13960	2.6
229.11864	1.6
229.15482	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	328.1548
Annotation	Stepholidine
Peak:m/z	Relative Intensity
55.05498	0.7
56.05027	0.3
58.06607	6.7
59.05012	2.7
67.05489	0.5
69.03411	0.3
69.07056	0.6
70.06599	20.6
71.49574	0.4
72.08161	6.3
74.87132	0.2
79.05450	0.4
84.04483	1.2
84.08155	2.8
85.02888	0.3
85.99741	0.3
86.09718	4.3
87.10010	0.4
88.03971	0.5
89.06016	0.6
91.05505	1.5
93.06979	0.3
95.04940	0.3
97.02906	0.4
97.06531	0.6
98.06020	0.5
98.98477	27.7
103.03956	2.3
103.05441	0.3
103.07593	2.7
105.07011	0.7
107.04443	0.3
107.04984	3.1
112.07594	0.3
112.11205	0.5
115.08741	0.5
116.07047	0.4
116.99481	0.5
118.06590	0.3
119.04938	0.7
120.08157	1.6
121.06477	0.7
123.04393	0.9
129.10205	0.9
130.06497	0.6
131.07294	0.6
132.10265	0.3
133.02864	0.4
136.07626	1.4
137.05969	0.7
141.10204	0.6
147.06709	0.4
147.10156	0.7
148.07588	3.9
150.06764	1.9
151.07559	0.6
159.06792	0.6
162.05424	0.4
163.06294	1.0
165.09128	4.4
166.08586	0.3
169.09724	0.6
169.12085	0.4
169.13391	4.3
174.05431	0.6
174.06734	0.3
174.99286	1.8
175.99599	0.6
176.05550	0.4
176.07091	6.8
176.98997	0.7
177.07878	7.8
183.11409	0.3
187.10867	0.5
187.12424	0.3
189.09157	0.6
190.08658	1.2
192.10208	100.0
193.10545	1.3
197.12878	2.8
205.10977	0.4
211.14388	0.3
212.71703	0.3
215.13878	0.5
231.17084	0.4
266.08020	0.6
268.10925	0.3
272.18170	0.3
282.11307	0.7
283.13306	1.0
285.14828	0.6
296.36914	0.3
312.12338	1.0
328.15509	36.2
328.19125	5.4
329.11911	0.3
329.15796	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1547
Annotation	Spinosine
Peak:m/z	Relative Intensity
53.03559	0.4
56.04955	0.6
56.05191	0.4
56.14746	0.4
58.06496	1.4
58.06810	0.9
63.67701	0.4
69.06977	0.4
69.63875	2.4
69.64279	0.7
70.06467	4.4
70.06896	1.2
72.08030	4.0
72.08461	0.8
79.05407	0.5
84.04420	0.4
84.08018	1.4
86.09576	2.3
91.05383	0.6
95.05959	1.6
97.06426	0.6
98.98328	18.7
98.99038	1.9
104.28583	0.4
105.06922	0.7
107.04799	1.4
112.11147	0.5
116.99296	0.5
120.08024	0.7
121.06391	0.8
132.04318	0.4
137.08032	0.4
138.05424	0.6
146.07123	0.5
149.05930	0.6
150.06645	0.7
151.07430	1.9
152.07083	3.8
156.63870	0.5
158.09506	0.4
162.05437	0.5
164.08253	1.0
165.09132	13.7
169.13232	0.8
174.99138	1.6
175.99472	0.4
176.06973	1.1
176.98891	0.5
177.09035	0.6
179.10544	1.2
189.09073	0.5
192.10211	4.4
197.12775	0.5
213.47797	0.4
268.09662	0.7
270.11374	0.6
279.09277	0.4
280.09525	0.5
281.10568	0.8
282.11411	0.7
282.14862	1.0
283.13409	0.5
284.09067	1.5
284.12384	0.6
294.11246	1.8
296.09302	2.6
297.10056	1.7
297.13489	0.9
298.10675	2.7
299.11560	1.5
310.14362	1.3
312.12320	58.6
313.09409	0.9
313.13110	23.6
328.15475	100.0
329.15829	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	327.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01885	0.6
55.05517	3.9
57.03451	2.1
57.07074	1.8
59.19677	0.4
67.05177	0.7
67.05507	8.1
69.07070	4.8
71.05008	0.5
71.08644	0.8
71.33524	0.4
73.30403	0.3
77.01611	0.6
79.05505	2.9
81.07064	10.2
83.04987	0.8
83.08630	2.6
85.06528	0.4
89.06070	0.5
91.05482	3.7
93.07050	3.9
95.04961	1.1
95.08618	9.9
96.13168	0.4
97.06532	1.1
97.10168	1.4
98.98473	100.0
99.08071	0.6
103.03939	0.8
105.07037	2.8
107.08620	2.4
109.06496	0.5
109.10155	4.7
111.08110	0.8
115.67329	0.4
116.99506	1.2
119.08592	2.5
121.10155	3.4
122.44503	0.4
123.08062	0.4
123.11711	2.0
127.11229	0.5
129.05487	1.0
133.10158	2.4
135.11713	2.4
137.09630	0.6
137.13280	1.7
145.10098	0.6
147.11717	2.0
149.13283	1.0
151.11191	0.5
151.14827	1.2
156.83182	0.4
161.13301	1.6
163.02750	0.4
165.09204	0.4
165.12785	0.4
174.99245	10.0
175.00697	0.6
175.11224	0.4
175.14896	0.8
205.78481	0.4
217.19513	7.1
235.20592	5.3
251.00096	1.2
309.24277	2.1
327.19434	0.4
327.25525	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.2
53.45517	1.5
55.01873	2.4
55.05521	9.6
57.07080	2.4
65.03934	2.0
67.05508	18.9
69.07077	8.5
70.95177	3.7
79.05495	16.0
80.21783	1.7
81.03382	3.5
81.07063	18.9
83.08629	3.5
85.06543	4.2
85.70351	1.6
90.49310	1.8
91.05490	23.5
93.06496	2.8
93.07050	37.0
93.42919	1.8
95.04383	2.5
95.04975	42.0
95.08617	28.4
97.06536	8.9
98.98472	100.0
103.05495	1.6
105.07034	36.2
107.04965	2.1
107.08601	22.2
109.06494	6.0
109.10161	11.2
115.05452	3.2
117.07018	12.2
119.08586	32.6
121.06509	10.3
121.10149	18.8
123.08053	6.5
123.11693	6.2
128.06155	2.5
129.06998	6.0
130.07796	2.4
131.08577	16.4
133.06546	3.2
133.10132	24.4
135.08035	4.7
135.11690	5.2
137.09663	2.5
142.07777	6.8
143.08601	11.1
144.09286	2.1
145.10106	22.5
147.11662	8.3
149.13329	2.3
154.07745	1.9
155.08592	4.0
156.09387	3.8
157.10143	15.8
158.10907	2.2
159.08028	2.2
159.11691	21.7
161.09630	6.8
161.13193	2.6
167.08620	3.4
168.09341	1.9
169.10175	8.7
171.11681	9.9
173.09561	2.0
173.13264	9.2
174.99196	10.1
175.14873	12.1
179.08607	2.1
181.10118	3.4
182.10956	2.1
183.11665	7.3
185.13231	4.0
187.11183	5.0
187.14888	10.0
189.16347	2.7
192.09369	2.3
197.13243	6.4
199.14868	6.3
207.11728	2.0
209.13290	5.4
211.14844	5.3
213.16368	2.3
213.89120	1.8
215.14481	2.4
217.15970	3.2
221.13211	2.6
223.14819	2.6
225.16393	2.5
227.14322	2.7
235.14856	2.4
243.17451	1.8
309.22321	3.3
327.07825	4.7
327.23199	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.4
55.01867	3.7
55.02591	3.0
55.05504	11.9
57.07076	7.7
59.05006	3.4
67.05510	28.1
68.22859	3.4
69.03452	3.0
69.07077	14.9
69.29982	28.3
74.77349	3.3
79.05492	22.6
81.03425	4.5
81.07059	34.1
83.08624	3.5
85.06525	4.8
91.05489	44.2
93.07050	78.2
95.04974	73.1
95.08610	60.2
97.06510	17.4
98.98472	100.0
103.05458	3.6
105.07037	55.0
107.08604	39.8
109.06508	11.6
109.10173	27.8
115.05409	4.7
117.07018	18.1
119.08591	60.5
121.06511	19.7
121.10139	33.3
123.08083	13.1
123.11691	9.3
128.06201	7.8
129.06995	8.3
130.07831	6.8
131.08585	25.6
133.10144	50.1
135.08051	10.0
135.11673	10.5
137.09624	5.6
137.79259	3.4
141.06985	3.8
142.07796	15.3
143.08553	23.1
144.09329	5.3
145.10123	42.1
147.11705	16.7
149.09680	6.0
152.06189	6.4
153.06953	8.9
154.07736	4.6
155.08562	8.5
156.09354	6.5
157.10150	34.5
158.10902	5.6
159.08089	5.8
159.11687	41.4
161.09625	17.9
161.13245	7.5
163.11185	3.8
167.08611	6.3
169.10167	13.1
170.10976	4.1
171.11713	21.0
173.09633	3.6
173.13300	17.5
174.99257	11.1
175.14851	21.9
179.08511	5.0
181.10117	5.4
182.10922	5.4
183.11694	10.3
185.13234	6.5
187.11244	9.7
187.14835	13.5
189.12885	3.8
189.16499	3.7
193.10066	5.1
194.11011	3.5
195.11714	7.8
197.13275	9.9
199.14864	11.4
203.14287	3.9
205.15646	3.3
207.11703	4.6
209.13301	9.2
211.14835	11.9
213.16399	3.5
215.14357	3.7
223.14825	6.7
225.16255	6.2
227.14294	3.7
233.03722	7.1
239.14305	3.4
239.17915	5.1
253.15901	4.1
309.22025	8.4
325.40140	3.7
327.07892	21.5
327.23096	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	327.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01182	0.5
55.05507	0.8
58.30156	0.5
69.40842	4.0
70.06599	10.5
72.08154	7.3
73.06551	1.3
74.06110	0.7
81.03390	0.5
84.04522	1.4
84.08154	3.9
86.09713	4.6
87.04481	2.3
89.06037	85.7
95.06082	1.3
98.98474	100.0
99.04456	0.8
107.07065	1.2
107.08578	0.5
110.07146	1.3
112.08757	2.7
116.07114	1.0
116.99527	0.8
119.73468	0.5
120.08090	1.4
129.10236	1.5
130.08664	0.5
131.07030	0.5
133.08612	37.8
137.05930	0.6
147.04437	0.6
157.10837	0.9
174.99242	11.7
177.11247	6.3
183.14915	1.4
195.12196	0.7
203.03568	0.5
208.02856	1.2
211.14523	0.5
221.13751	0.6
239.14774	0.8
239.30296	0.6
242.19687	1.1
250.99948	1.4
283.17429	0.6
299.21930	1.0
327.20837	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	327.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.01637	0.5
55.01880	8.4
55.05516	0.9
56.27860	0.4
65.03946	6.0
66.04715	0.5
67.05507	1.0
69.07079	0.5
69.42509	0.4
69.42790	0.9
69.43195	1.9
70.06599	1.3
71.04996	1.6
72.05336	0.5
72.08159	1.5
77.01590	0.5
79.05497	1.9
81.07059	1.6
82.81774	0.4
84.08147	0.7
86.09712	0.6
89.03937	0.8
91.05486	4.1
93.03417	6.3
93.07047	1.4
94.04192	2.1
95.04998	1.2
95.06097	2.2
95.08590	0.6
96.06469	0.6
97.06521	0.6
98.98473	100.0
100.11310	0.5
103.05469	0.9
105.03391	0.4
105.07027	1.1
106.94291	0.4
107.04952	1.7
107.08603	0.8
109.06527	0.9
110.03664	0.7
111.04448	6.8
115.05459	8.7
116.99519	1.5
117.03403	0.8
117.06998	1.1
119.04972	0.5
119.08583	1.4
121.06525	2.2
121.10143	0.7
122.03639	5.1
122.52747	0.4
123.04438	1.0
125.06013	9.3
128.06233	0.6
129.07001	0.6
131.04944	1.6
132.05748	0.7
133.06569	0.7
134.03593	0.5
135.04436	0.9
135.08078	0.5
137.05988	37.1
137.09586	0.7
143.04932	6.3
144.05692	0.9
145.02913	1.0
145.06520	0.9
147.04468	0.9
147.08093	2.3
147.11734	0.5
149.06017	2.1
150.06790	0.7
151.03947	3.6
151.07613	0.6
152.06282	0.5
153.05482	8.7
153.06837	0.7
155.08589	0.6
157.06465	0.5
157.10114	1.0
160.05199	4.4
161.06000	1.7
161.62270	0.4
165.07016	1.0
165.12894	0.5
167.08551	0.9
171.04420	3.8
174.06805	0.5
174.99243	13.6
175.07536	9.5
177.05522	5.4
177.06964	0.7
178.07780	4.0
179.08528	4.1
181.06509	1.9
185.05981	1.0
188.04744	0.8
189.06995	4.8
190.07811	0.8
191.07022	0.7
191.08571	0.8
193.06664	0.5
193.13556	0.5
195.08101	1.1
196.08849	0.6
197.06018	1.1
203.07040	10.0
205.06505	2.5
206.07295	4.3
207.08052	6.1
209.09602	0.6
211.07462	0.9
212.14801	0.6
217.06520	4.6
218.07367	1.1
219.08002	0.7
221.05972	0.8
221.09604	1.0
222.06833	0.9
223.07632	3.2
224.08434	1.1
225.09177	0.7
233.05948	0.7
234.06758	9.7
235.07536	5.3
235.13245	0.4
236.08238	0.4
237.09120	1.8
239.07063	0.6
239.10677	1.0
240.07800	0.8
245.05910	2.8
246.06758	0.6
247.07672	0.7
248.08267	0.4
249.09135	13.0
250.06374	0.6
251.00046	1.5
251.07063	4.2
252.07785	1.0
253.08571	0.9
261.05588	0.9
262.06235	5.2
263.07117	2.1
265.08621	2.8
266.09290	2.1
267.10162	8.2
268.07318	0.6
269.08273	0.6
277.08603	24.0
278.09378	2.4
279.06613	3.0
281.11627	1.1
283.09641	1.1
285.11475	0.5
294.08865	8.9
295.09692	3.4
297.11200	0.6
299.12839	0.7
309.06323	2.1
309.11218	14.0
312.09933	0.9
327.12265	12.5
327.24918	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	327.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.5
57.03429	4.0
60.36963	0.9
61.98038	0.9
67.05422	0.8
69.03416	2.4
70.02958	8.7
71.01350	1.3
71.48711	1.1
72.73347	0.8
73.02919	2.1
82.99857	4.1
84.02999	0.9
85.02894	3.2
86.09683	1.0
94.99857	2.2
97.02891	1.9
98.98479	2.5
101.00886	29.7
102.65649	0.9
110.00837	1.0
113.00880	19.1
115.02408	1.8
119.01937	25.2
122.35641	0.8
125.00920	1.0
131.01921	23.4
133.04980	2.2
135.00407	1.9
136.03932	1.1
137.02959	1.9
139.02472	2.1
143.01910	10.1
145.03432	2.0
153.01443	12.9
153.03247	1.4
155.01912	21.1
155.03064	1.2
157.03496	14.7
161.02966	16.4
164.01875	0.9
167.01872	5.9
170.02965	1.3
171.02528	66.6
172.02664	1.0
173.02959	19.2
173.04326	1.9
175.04439	4.4
177.01334	1.5
179.04420	1.4
182.02962	2.6
185.02950	17.0
189.03584	81.2
190.03758	1.7
191.04094	2.1
195.02524	18.5
195.04144	1.6
207.02524	12.0
209.04099	3.1
213.03581	100.0
214.03801	3.3
215.03915	8.0
219.02286	1.1
225.01370	1.8
225.03587	37.7
227.05081	6.5
231.04637	39.0
233.05086	23.6
236.05254	1.5
237.03564	10.4
243.02426	1.4
243.04633	6.4
249.03574	2.6
255.04631	13.4
261.00003	1.0
267.04605	4.7
284.99832	2.6
285.05698	4.0
303.00928	2.7
303.06674	5.0
324.32416	0.8
327.06750	76.2
328.06802	1.9
345.02017	1.2
345.07928	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	325.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.8
55.01878	5.1
55.05516	26.2
57.03435	11.7
57.07069	14.2
67.05506	88.2
69.07066	18.6
71.04992	11.7
72.08110	3.7
79.05500	71.3
81.03422	7.9
81.07061	98.5
83.05003	6.9
83.08630	15.3
85.06542	6.8
91.05491	41.8
93.07044	100.0
95.04967	9.8
95.06094	8.9
95.08605	57.7
97.06531	7.5
97.10162	7.0
99.08105	9.6
105.07050	28.3
107.08601	53.6
109.06561	5.9
109.10174	37.7
111.08006	3.3
113.09645	6.5
117.07031	15.0
119.08587	25.7
121.07626	11.7
121.10149	53.4
123.11699	19.7
125.09671	5.6
129.07025	5.3
131.08559	28.1
133.10126	22.2
135.08057	6.4
135.11685	55.7
137.09602	5.5
137.13257	8.1
138.10258	6.6
141.06995	4.0
143.08545	7.5
145.10120	28.3
147.11673	19.2
149.13306	21.9
155.08527	5.1
159.11722	20.6
161.13269	7.5
163.11249	5.6
169.10104	5.4
171.11691	4.3
173.13292	18.1
205.19569	15.6
215.17931	55.4
223.14577	5.3
233.19017	69.5
235.20673	4.0
307.17169	4.0
325.17932	7.0
325.21555	11.1
325.24362	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	326.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.8
55.74402	1.2
56.05039	2.0
59.05005	38.9
61.02896	1.7
69.03419	3.7
69.07089	1.7
70.06599	17.1
71.11026	1.4
71.49239	2.2
72.08159	12.1
84.04498	3.5
84.08161	9.2
85.02895	9.1
86.09679	8.4
87.04475	10.4
87.97821	1.4
95.06092	2.2
97.02876	3.6
98.06084	1.3
98.98470	59.6
101.06014	13.7
107.04909	1.1
110.07176	3.6
112.08708	1.6
112.11258	2.1
115.03936	46.1
115.25684	1.3
116.07047	1.6
120.08076	2.7
127.03831	2.0
129.05486	100.0
129.10243	4.9
136.07628	1.8
145.04948	1.7
147.06532	50.8
156.07695	1.4
159.04167	1.1
174.99284	6.0
180.08682	3.9
183.14967	1.4
202.05055	1.5
213.12349	2.5
219.01866	1.3
251.11525	1.2
287.05569	2.0
288.05856	2.9
289.16556	1.5
292.89169	1.2
310.07266	1.3
326.10196	4.1
336.97803	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	325.2373
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
50.54178	3.5
53.03931	4.5
55.01861	4.0
55.05518	34.0
55.17640	3.1
57.03437	3.4
57.07081	7.1
62.06082	4.2
67.05508	94.3
69.03425	6.6
69.07069	25.2
71.04996	24.5
71.08630	3.1
71.33653	6.7
72.08155	3.8
73.06558	100.0
79.05499	33.6
81.03415	4.8
81.07061	47.9
83.04968	7.0
83.08607	13.5
91.05485	43.0
93.07037	39.6
95.04948	10.1
95.06085	11.1
95.08614	62.9
97.06521	5.1
97.10157	7.4
105.07030	36.4
107.04958	6.6
107.08581	23.9
109.06546	3.8
109.07614	3.2
109.10165	46.7
109.73375	3.2
117.07000	12.2
119.08589	26.1
121.07627	11.4
121.10146	18.6
123.08038	7.6
125.09634	7.5
129.06993	10.9
131.08588	20.5
133.10156	19.1
135.08113	7.3
135.11708	8.4
137.09641	20.2
138.10252	7.0
141.06964	4.0
143.08546	9.0
145.10109	13.0
147.11707	12.2
149.09569	7.9
151.11134	4.9
155.10709	9.2
157.10185	9.4
159.11656	11.8
161.13226	4.2
163.11243	4.5
171.11681	8.8
173.11746	18.2
173.13210	8.2
183.11729	4.2
197.13219	6.5
201.34050	3.5
229.19423	4.3
239.17982	8.4
247.20540	4.8
257.19083	7.3
275.20062	53.4
293.21176	8.2
307.22855	5.8
325.21381	3.9
325.25214	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.0
55.01885	2.2
55.05307	2.2
55.05514	23.5
57.03442	11.6
57.07067	9.0
60.50133	2.0
65.03908	2.2
67.05510	100.0
69.07077	14.0
69.22006	2.5
69.23026	22.9
71.04991	6.7
71.08622	2.6
74.92110	2.0
79.05497	60.3
79.50901	2.3
81.03407	4.1
81.07062	95.3
83.04989	2.8
83.08614	6.3
85.06530	8.2
87.46412	2.2
91.05488	29.5
93.07047	76.1
93.07642	3.7
95.04983	4.4
95.08615	64.8
97.06554	5.7
97.10151	4.9
99.08086	4.0
105.07037	17.3
107.08599	39.5
109.06494	2.6
109.10168	38.8
111.08094	3.8
113.09648	5.6
117.07020	12.0
119.08577	19.9
121.07649	5.1
121.09322	4.1
121.10153	53.9
123.11742	21.9
125.09633	4.1
131.08588	27.0
133.10147	20.5
135.11699	55.7
137.09612	5.8
137.13268	7.3
143.08565	3.1
145.10129	22.2
147.11687	10.4
149.09535	3.8
149.13229	17.7
159.11717	23.4
161.09581	2.5
161.13248	6.3
163.11139	4.2
171.11818	2.5
173.13254	16.7
177.12682	2.9
187.14775	3.5
205.19553	11.6
215.17975	44.0
233.19017	54.1
251.20107	5.8
266.85492	2.3
307.22647	8.5
313.29312	2.5
325.23648	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	325.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37933	1.3
53.03949	3.7
54.54767	1.5
55.01882	2.7
55.05513	17.4
57.03450	9.4
57.07077	11.6
57.91352	1.4
58.88394	1.5
65.03941	4.0
67.05508	97.0
67.74495	1.6
69.07070	13.7
70.42116	4.2
70.42502	3.2
71.04990	7.7
71.08611	1.7
72.08160	1.7
75.04467	2.9
77.03914	2.1
79.05496	80.7
81.07059	95.4
82.45528	1.4
83.04987	3.2
83.08632	9.0
84.71658	1.4
85.06544	9.3
91.05486	35.5
93.07046	100.0
95.04987	5.9
95.08612	70.4
96.65668	1.5
97.06525	5.1
97.10159	4.7
97.89759	1.4
99.08088	9.3
105.07042	27.3
107.08599	57.5
109.06525	4.2
109.10162	38.0
111.08061	4.1
113.09634	6.2
117.07032	16.0
119.08594	23.3
119.09396	2.8
121.10145	75.7
123.08125	3.3
123.11720	30.8
125.09615	4.1
129.07005	3.2
131.08566	31.9
133.10138	26.2
135.11696	68.1
137.09628	2.2
137.13283	7.6
139.11171	3.2
145.10124	26.4
147.11684	18.9
149.09633	4.0
149.13264	29.5
151.11194	4.5
159.11700	26.9
161.13278	5.4
163.11217	3.7
163.14871	2.8
173.13287	21.3
175.14798	2.2
177.12778	2.9
187.14864	5.7
189.16429	4.3
191.14395	1.7
205.15854	4.0
205.19508	20.5
208.12337	2.0
215.15866	3.2
215.17967	72.1
233.19012	97.8
251.20007	4.7
307.22647	6.1
325.23785	20.2
345.74042	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	325.2373
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
51.84550	0.7
53.03943	2.6
55.01869	2.0
55.05514	17.8
57.03438	8.0
57.07079	7.5
65.03939	3.9
67.05507	96.7
69.07069	12.8
69.32540	7.4
71.04999	5.3
71.08638	1.4
77.03955	0.9
79.05494	58.7
80.05784	0.9
81.07057	100.0
83.04996	2.0
83.08624	7.8
85.06544	6.2
91.05485	28.3
93.07047	72.8
95.04964	3.8
95.08611	66.7
97.06529	3.6
97.10172	2.7
99.08083	7.3
105.07034	20.4
107.08592	40.2
107.09174	0.6
109.06523	3.8
109.10164	36.5
111.08088	2.6
113.09641	3.8
117.07024	12.6
119.08588	18.0
121.10146	54.4
123.08068	2.4
123.11711	24.8
125.09629	4.2
129.07005	1.2
131.08559	20.7
133.10146	21.3
135.11691	51.1
137.09625	2.9
137.13258	5.8
139.11169	2.0
143.08557	1.5
144.09261	1.3
145.10126	18.9
147.10652	1.4
147.11702	14.2
149.09602	3.0
149.13261	23.9
151.11188	2.0
159.11707	21.2
161.13234	5.0
163.11174	2.9
163.14719	1.4
165.12750	1.1
173.13268	15.1
175.14900	1.5
177.12729	3.2
181.12207	1.5
187.14784	3.6
189.16405	2.2
191.14297	1.3
191.17941	2.0
195.13661	1.1
205.15947	3.0
205.19521	13.4
215.17963	48.9
216.18285	1.5
233.19014	67.6
251.20049	6.9
307.22760	9.0
325.23804	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.5
54.79315	1.4
55.01857	1.8
55.05515	17.4
57.03438	7.3
57.07072	7.4
65.03953	3.9
67.05504	92.3
69.07072	11.8
69.84230	1.4
70.26984	1.4
71.04992	6.3
79.05495	69.7
80.53140	1.4
81.07058	94.0
83.04988	3.2
83.08624	9.2
84.88088	1.6
85.06561	7.8
91.05473	31.8
93.07047	100.0
95.04978	3.6
95.08608	57.7
97.06529	5.2
97.10164	2.7
97.39900	1.5
99.08112	7.7
105.07043	24.6
107.08599	50.2
109.06500	3.2
109.10162	38.6
111.08076	1.9
113.09631	4.7
117.07014	15.5
119.08572	20.3
121.10141	57.3
123.08054	4.5
123.11706	22.0
125.09603	4.7
131.08569	29.9
133.10143	22.6
135.08052	2.1
135.11697	67.7
137.13257	5.1
139.11115	1.7
145.10129	25.0
147.11688	17.1
149.09627	6.1
149.13268	28.9
151.11180	4.3
159.10434	2.6
159.11693	23.1
161.13266	3.1
163.11234	5.1
163.14838	1.8
171.11757	2.1
173.13274	18.0
175.14761	2.5
177.12704	2.9
187.14838	5.3
189.16328	3.7
191.14357	2.2
191.17950	1.7
205.19534	18.3
215.17963	67.4
216.18251	2.0
233.18999	81.1
234.19388	2.2
251.20026	3.1
307.22781	3.9
325.23752	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	325.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.9
53.03945	3.1
55.01880	2.2
55.05512	16.5
57.03439	8.5
57.07079	7.9
64.49437	0.5
65.03953	2.8
65.19895	0.6
67.05508	100.0
67.55457	0.7
68.05843	0.6
69.07068	13.7
69.07421	1.3
69.94222	3.1
71.04998	6.0
71.08634	1.0
75.04483	1.3
77.03936	1.5
79.05496	59.0
81.03439	1.0
81.07060	96.5
83.04991	2.7
83.08617	7.6
85.06544	5.5
91.04903	0.9
91.05486	29.4
93.07046	74.6
95.04980	5.8
95.08610	64.6
95.09240	1.6
97.06536	5.3
97.10164	3.6
98.20779	0.9
99.08099	7.5
103.03955	1.0
103.05499	0.7
105.04539	1.2
105.07034	20.4
107.04952	0.8
107.08598	40.3
107.39481	0.7
109.06530	3.6
109.10160	38.2
109.42158	0.6
111.08099	2.7
113.09619	3.3
115.05464	0.9
117.07021	13.4
119.08583	17.3
121.06536	0.9
121.10147	52.2
123.08071	1.9
123.11711	24.8
123.12601	1.4
125.09632	2.8
127.11249	0.9
129.05524	1.2
129.07060	1.7
129.59288	0.6
130.07762	1.1
131.00082	0.7
131.07596	1.2
131.08577	24.3
133.10138	22.3
135.08060	2.8
135.11696	59.2
136.12071	0.8
137.09622	2.7
137.13266	6.8
139.11217	3.1
142.07834	0.9
143.08630	1.7
145.10120	21.6
147.11700	13.7
149.09662	3.4
149.13263	24.6
150.13547	0.8
151.11159	2.8
155.08472	0.7
157.10106	2.3
159.11700	20.2
161.13252	5.4
163.11172	3.3
163.14809	2.0
169.10228	1.2
171.11665	1.8
173.13271	15.9
175.14886	1.9
177.12724	2.4
179.08569	0.8
182.10895	1.0
187.14851	4.5
189.16298	3.2
191.14316	1.6
191.18048	1.5
194.49501	0.7
195.11723	1.0
195.13773	1.2
197.13335	1.0
205.15871	2.5
205.19540	13.7
207.11641	0.9
209.15465	0.7
211.14854	0.9
215.17964	50.8
217.19533	0.9
223.14955	1.1
225.12744	0.9
233.19008	66.9
251.20071	8.4
263.39725	0.7
287.69144	0.7
307.23032	8.6
320.17206	0.7
325.24182	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.3
55.01860	2.7
55.05513	13.0
56.96561	6.7
57.03426	7.1
57.07072	6.1
64.32345	2.1
65.03938	2.0
67.05509	64.0
69.07073	10.8
71.04996	4.2
71.50115	3.7
79.05499	56.7
81.07059	69.3
82.79993	2.0
83.04968	4.1
83.08627	7.4
85.06539	6.6
91.05487	25.2
93.07050	64.0
95.04993	9.9
95.06128	3.4
95.08614	43.1
97.06541	2.9
97.10123	2.6
99.08085	6.2
105.07033	24.8
107.05043	2.2
107.08599	41.0
109.06541	2.8
109.10163	31.1
113.09693	2.1
117.07047	11.3
119.08585	17.6
121.10151	45.0
123.11707	18.3
125.09627	3.6
129.07005	3.8
131.08577	18.7
133.10123	19.8
135.08061	3.9
135.11710	46.7
137.09590	3.1
137.13255	3.5
143.08597	3.9
145.10143	20.5
147.11772	11.2
149.09579	3.6
149.13269	20.9
151.11203	2.7
155.08600	2.4
157.10194	6.8
159.11697	20.5
161.13298	2.7
163.11203	3.2
165.06940	2.4
167.08554	2.3
169.10117	3.2
171.11690	6.5
173.13277	13.3
179.08527	5.3
180.09059	3.3
181.10172	2.8
181.79994	2.1
183.11792	2.4
190.07516	4.6
191.08191	9.1
192.09032	4.2
193.09941	2.9
194.10663	2.4
195.11710	4.1
197.13307	3.2
203.08185	7.7
204.09010	2.3
205.19524	11.1
206.10646	3.1
207.11697	3.4
208.08652	3.0
209.13300	4.1
215.17979	38.8
218.07224	15.1
219.07646	36.1
219.09850	3.7
220.08427	8.7
221.09619	2.7
222.10034	6.1
225.12785	2.7
230.07999	2.2
233.09668	19.5
233.19023	51.6
234.09981	100.0
235.07774	4.3
235.10686	15.9
236.07866	19.1
237.08586	3.1
250.09761	6.1
250.12297	6.7
251.10207	19.0
251.12666	30.0
251.19884	2.1
265.12308	4.7
266.12607	27.3
278.87912	2.3
279.08966	3.2
283.08749	4.4
284.08023	2.1
293.13669	3.5
297.10196	4.8
301.09607	2.5
307.20279	2.9
325.16324	2.8
325.18152	3.1
325.21506	7.7
325.23984	8.5
345.23904	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	325.2374
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
50.30242	2.0
53.03948	4.0
53.25553	2.3
55.01861	5.8
55.05514	20.7
57.03444	3.9
57.07073	8.5
65.03934	4.5
66.16750	2.1
67.05506	88.6
69.03407	2.6
69.07076	22.8
69.20319	19.5
69.20730	3.6
71.04601	5.0
71.04996	100.0
71.83474	2.5
72.08158	7.6
79.05074	3.9
79.05497	43.7
81.03414	3.6
81.07063	78.7
83.04987	8.9
83.08616	14.9
85.02890	3.1
85.06548	35.8
91.05485	37.0
93.07046	33.0
95.04971	24.6
95.06090	6.7
95.08605	35.8
95.88927	2.1
97.06525	19.1
97.10157	8.2
98.20779	4.4
99.08085	4.0
103.79059	2.4
105.04562	2.8
105.07034	36.5
107.08595	22.5
109.06509	16.3
109.10143	11.9
111.04427	2.9
111.08079	6.3
113.06005	10.3
117.07020	8.1
119.07786	4.0
119.08580	33.5
120.83588	2.7
121.06489	5.5
121.10142	19.6
123.08080	12.0
123.11716	6.0
125.09683	4.7
127.07559	6.1
129.07008	5.4
131.08554	13.6
133.10123	16.2
135.08054	3.9
135.11703	9.8
136.29121	2.3
137.09610	7.1
138.10213	5.0
142.11664	2.5
143.08533	4.1
145.10133	9.0
147.08063	3.3
147.11684	33.0
147.12770	2.5
149.09598	5.6
149.13306	6.9
151.11224	3.5
157.10118	6.5
159.11647	13.4
161.13277	13.6
163.11174	4.4
165.12750	10.3
167.54807	2.3
169.10164	4.1
171.11722	7.8
173.13248	6.4
175.11169	5.1
176.01917	2.4
177.12695	3.2
179.14388	4.1
183.11752	4.1
189.12775	8.6
193.04970	4.3
207.13768	13.0
211.14940	3.3
215.17911	2.7
218.06393	2.4
225.16571	2.6
233.19052	3.0
247.20634	3.3
257.19101	5.2
275.20059	34.0
289.21622	3.1
293.21088	30.2
307.22934	16.7
308.29672	3.9
325.23663	5.2
325.26770	3.4
325.32117	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	325.2163
Annotation	Erythrophloin E
Peak:m/z	Relative Intensity
53.03947	5.2
55.01883	5.9
55.05518	14.8
57.03429	3.7
57.07066	7.5
65.03937	3.5
67.05498	29.2
69.03433	10.5
69.07084	18.4
69.22750	25.4
71.08630	6.8
72.08157	11.2
77.03913	3.0
78.60658	2.9
79.05495	29.4
81.03408	3.2
81.07061	33.3
83.04993	13.8
83.08634	8.3
85.02934	4.1
85.06568	4.4
91.05479	30.8
93.07052	42.9
95.04974	75.0
95.08614	27.9
97.06546	20.5
99.00405	3.1
99.08120	3.3
103.05505	3.7
105.07037	44.8
107.04995	3.4
107.08604	31.3
109.06539	15.0
109.10156	25.8
111.08142	3.5
115.05524	5.2
117.07047	18.1
119.08576	39.0
121.06550	12.1
121.10179	20.4
123.08109	4.7
123.11697	3.1
125.05988	3.6
125.09663	4.5
128.06219	7.0
129.07022	16.7
130.07860	4.8
131.08586	22.7
133.10149	25.0
135.08130	9.5
135.11740	12.5
137.09608	5.1
139.11259	5.4
141.07043	10.8
142.07813	15.4
143.08588	28.5
144.09413	5.8
145.06514	4.9
145.10127	41.6
147.08116	8.2
147.11678	8.0
149.02397	4.2
149.09691	8.9
149.13353	3.8
151.11267	5.2
153.07079	6.3
154.07797	4.8
155.08614	12.7
156.09358	15.2
157.10139	43.6
159.08128	10.0
159.11679	22.4
161.09613	15.5
161.13266	8.9
163.11272	5.2
165.07146	4.4
167.08554	3.7
168.09483	5.1
169.10112	18.2
170.10942	5.3
171.08066	5.9
171.11684	36.1
172.08865	3.8
172.12247	3.6
173.09657	15.4
173.13354	11.3
179.08597	10.6
180.09331	5.4
181.10185	17.4
182.10934	8.3
182.50443	2.9
183.11726	20.5
185.09605	4.3
185.13335	13.2
186.10336	4.3
187.11258	13.6
187.14839	4.5
189.12773	6.9
192.09348	6.2
193.05035	12.2
193.10240	13.6
194.10965	6.1
195.11713	16.9
196.08888	3.9
196.12489	7.2
197.09653	3.9
197.13298	15.4
199.11293	7.1
199.14983	5.3
205.16063	4.1
207.11717	18.1
208.12538	10.7
209.13338	19.5
211.11438	5.8
211.14908	9.7
213.12747	4.2
213.16354	3.8
215.14484	4.3
215.18019	6.8
219.11639	3.6
221.13322	9.0
222.14055	5.6
223.14783	24.0
225.12889	9.6
225.16463	13.4
227.14296	3.7
233.13376	8.3
233.19151	7.8
235.14867	5.1
237.16396	5.4
238.17151	3.7
239.14432	5.4
239.17868	5.4
240.24086	2.9
241.15965	8.7
247.14890	3.4
248.69141	3.4
249.16566	9.6
251.14415	5.5
267.17532	7.1
269.15576	9.8
279.21118	5.8
281.13614	3.4
289.19666	5.0
295.14902	3.4
307.17227	6.8
307.20660	20.1
308.29657	10.6
325.18439	8.0
325.21771	100.0
325.26169	15.9
325.32181	6.2
325.76285	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	325.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	9.5
56.96568	8.2
58.04226	16.5
59.05008	100.0
67.05521	15.5
69.03416	5.9
69.07074	7.6
70.06590	8.9
71.04991	13.5
71.50339	3.8
72.08154	12.5
73.02920	45.9
79.05485	12.2
80.05521	22.5
80.62201	3.1
81.07053	11.0
83.04967	4.6
83.08597	3.7
84.04466	5.4
84.08143	7.0
85.06544	19.4
86.09734	4.1
87.04473	11.4
89.05487	5.9
89.06030	86.1
90.25995	3.6
91.05467	16.4
93.07048	14.1
95.04977	8.4
95.08605	13.4
97.06515	5.0
97.10171	4.8
102.06817	22.9
103.07592	29.2
105.07057	11.1
107.04977	5.9
107.08563	8.8
109.10149	7.2
117.06978	3.5
119.08566	8.0
121.10134	4.7
124.08060	7.7
129.07011	3.6
131.08531	4.8
133.08609	52.1
133.10149	8.8
135.08095	4.0
137.06018	6.7
145.66901	4.4
147.11633	4.9
159.11758	4.0
176.09032	3.1
177.11160	4.3
183.11670	3.9
187.57019	3.8
197.04726	3.5
211.14536	3.3
240.10074	3.8
240.84895	3.5
248.79111	3.4
265.08551	5.3
271.16977	3.1
280.09631	5.0
284.08997	7.4
289.18442	4.0
292.91788	3.8
293.08139	7.9
302.09857	5.7
307.09628	7.3
307.19116	4.9
308.05865	6.3
325.10913	11.5
325.24298	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	325.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26868	2.0
55.05512	4.9
56.05035	2.2
57.03429	9.2
69.03426	3.1
69.07092	2.0
69.38552	15.6
70.06595	24.5
71.04991	4.4
71.08633	9.0
72.08165	12.6
79.05507	8.1
81.07054	26.9
84.04510	3.0
84.07691	2.7
84.08150	19.5
85.02906	12.8
85.06548	5.2
85.79763	1.8
86.09714	12.3
91.05467	2.1
99.08096	24.2
104.64568	1.8
107.08540	2.1
109.06527	30.1
110.07159	3.0
116.07108	2.7
117.09142	100.0
120.08116	8.2
127.07566	52.5
129.10287	9.5
132.08112	6.6
145.02815	3.0
163.03938	3.7
163.09706	8.1
181.07347	2.0
181.15172	2.0
227.30602	1.9
280.11905	2.8
325.17682	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	325.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.01874	1.6
55.05518	0.5
56.05049	0.3
57.03440	2.4
59.04999	0.4
61.02929	0.9
69.03436	14.7
69.07040	0.3
70.06592	1.6
71.01353	1.1
71.04999	4.5
71.49766	0.4
72.08166	1.8
73.02921	0.9
75.04485	0.3
81.03425	16.3
81.07047	0.3
82.38766	0.3
84.04514	0.7
84.08134	1.5
84.66634	0.2
85.02895	0.4
86.09702	1.1
87.04469	0.4
88.04028	0.3
91.05483	1.1
93.07048	0.3
95.04966	0.3
95.06099	0.3
96.71333	0.3
99.04466	6.5
104.56619	0.3
112.08753	0.3
112.11236	0.3
116.04996	0.8
116.07044	0.3
116.36224	0.3
117.05499	1.9
118.06554	6.3
119.04937	0.5
120.08100	0.5
120.20876	0.3
123.04469	0.3
129.10237	0.4
135.08090	0.4
136.07590	0.6
145.07620	7.6
145.08626	0.3
147.09186	7.4
159.09232	0.4
162.07919	1.0
163.08704	1.4
172.06381	0.3
173.07118	11.5
175.08696	6.1
187.08727	0.3
191.08171	100.0
192.08453	0.6
200.09479	0.3
203.08170	0.4
205.09764	0.8
215.08218	0.5
215.11839	0.5
231.11385	0.3
233.09238	1.2
264.06699	0.4
271.10797	0.4
289.11816	1.7
307.12918	27.9
308.09177	0.3
308.13019	0.3
325.13943	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.9
55.01861	1.7
57.03439	2.2
59.04991	0.7
61.02924	0.6
69.03435	16.4
69.21568	0.9
69.21988	2.1
70.06581	1.3
71.01347	0.6
71.04997	5.9
72.08144	1.4
73.02896	0.9
81.03421	17.7
84.04462	0.4
84.08131	1.4
85.02938	0.4
85.83518	0.3
87.04476	0.4
91.05478	1.3
95.06052	0.3
99.04462	7.0
116.04980	0.8
117.05535	1.8
118.06561	4.8
120.08102	0.4
145.07620	7.6
147.09183	7.1
161.07172	0.4
162.07854	1.0
163.08669	1.1
173.07121	11.0
175.07202	0.4
175.08688	6.4
191.08165	100.0
192.08450	0.6
205.09698	0.9
215.08163	0.4
215.43155	0.3
233.09245	1.3
248.99944	0.4
250.06165	0.4
271.10736	0.4
289.11826	1.8
307.12897	31.5
325.13971	20.1
325.28696	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.6
55.01883	1.6
55.05510	4.9
55.29209	1.3
57.03441	7.2
57.68819	1.8
61.02943	8.7
61.19327	1.5
65.64793	1.4
67.05505	8.5
69.03078	2.1
69.03433	20.1
69.07059	4.3
70.06595	2.6
71.05000	3.2
71.50175	1.8
71.70683	1.5
73.02909	4.4
79.05499	4.1
81.03416	8.5
81.07063	9.8
83.04993	3.8
83.08617	2.0
85.02909	100.0
86.03162	1.5
87.04491	1.5
91.03966	3.5
91.05488	4.2
93.07053	5.4
95.04963	4.2
95.08611	7.7
97.02896	21.9
97.06592	1.8
97.10163	3.5
99.04474	2.5
105.07041	5.5
105.66282	1.5
107.08604	5.1
109.02879	9.6
109.06515	5.8
109.10168	5.6
111.08083	2.4
115.03954	2.1
117.07029	1.5
119.08617	5.2
121.06548	1.8
121.10175	3.2
123.08086	5.6
123.11714	1.8
125.09665	2.0
127.03934	21.1
131.08546	3.2
133.10123	4.7
135.11702	2.6
143.08641	2.7
145.04976	25.5
145.10179	4.4
147.11707	2.6
149.13274	1.8
157.10165	2.6
159.11734	1.6
161.13293	2.5
163.06006	4.8
163.07376	2.0
163.14868	1.6
170.15411	3.2
171.11771	2.0
173.09671	2.4
197.13353	3.0
198.14909	2.5
210.14890	2.4
238.14403	2.7
261.03000	1.4
271.16977	1.4
289.17953	4.0
307.19415	1.9
325.21317	4.7
325.25250	8.4
325.28778	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	324.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02346	1.3
55.05512	1.5
56.05031	2.5
56.96555	2.4
58.06600	4.0
60.04509	3.3
64.10429	1.3
69.03422	2.7
69.07049	1.3
70.06594	14.8
71.06915	1.2
71.49427	1.4
72.08160	100.0
74.06088	2.9
74.32877	1.2
75.09241	2.0
79.05502	1.3
84.04503	7.3
84.08144	20.3
85.02892	3.5
85.08468	1.3
86.06059	1.6
86.09711	10.6
88.03995	1.6
91.05481	3.0
95.06094	2.8
97.02880	2.1
98.06064	4.6
98.97610	1.7
99.04467	1.1
99.06823	1.7
100.07626	9.0
102.05550	3.4
104.74361	1.3
107.89530	1.1
110.07118	5.7
112.05096	2.4
112.07613	6.1
112.08753	1.6
112.11262	6.1
115.08696	2.6
119.04949	1.5
120.08118	17.7
121.02887	1.2
122.07181	4.1
123.04393	1.6
123.05531	1.5
123.07510	1.8
124.05904	1.5
127.03865	2.2
129.10274	7.2
129.13905	1.6
130.04997	2.2
130.08640	3.8
130.10513	1.1
131.01849	1.6
136.07597	21.1
137.05989	93.3
143.08168	1.3
143.11832	2.4
144.04828	2.7
145.03502	2.7
145.05048	2.2
145.07628	2.5
150.05585	1.7
152.69397	1.3
156.01949	1.2
156.03229	1.3
163.04654	1.2
163.08691	2.1
163.12386	1.9
164.07080	1.2
178.08650	2.4
179.07062	11.6
180.07678	4.0
181.08066	3.4
182.08057	1.3
187.04669	1.6
188.07719	1.2
207.11304	9.4
212.00815	1.8
212.04057	1.2
219.01857	1.2
221.12834	1.4
222.03249	1.4
227.07033	1.6
235.10741	1.6
236.12839	93.6
237.13083	1.5
253.15514	15.6
270.51471	1.3
279.62808	1.2
283.03055	1.7
288.09787	1.2
307.16589	1.9
307.20178	40.9
324.22855	50.7
327.92712	1.3
347.72250	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	324.217
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
55.01867	0.7
55.05510	1.5
57.03436	0.9
57.07075	0.8
63.32867	0.6
64.87158	0.7
67.05506	6.7
69.07069	11.7
69.85278	3.6
79.05502	4.4
79.05908	0.6
79.87814	0.6
81.07069	9.0
83.04987	2.5
86.09709	100.0
91.05488	11.4
93.07047	12.0
95.04968	3.4
95.06087	5.1
95.08603	2.9
97.30921	0.7
105.07030	16.7
107.08626	3.5
109.06526	9.4
109.10146	2.6
111.08099	2.6
112.08724	2.6
119.08592	5.6
121.10155	2.0
123.08018	0.7
123.11724	1.0
128.10721	5.2
129.06993	1.1
131.08553	3.7
132.09222	1.5
132.10214	30.1
133.10139	18.6
133.11101	1.3
147.11693	12.7
149.09622	1.2
149.13306	1.0
151.07597	3.8
151.11189	43.0
156.10248	0.8
165.12804	1.9
175.11205	3.4
193.12285	4.3
210.14969	1.2
222.14856	1.1
260.20044	6.1
278.21176	28.1
294.17368	0.7
306.20660	4.7
322.20779	0.6
324.21689	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	324.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07073	0.3
60.04514	1.5
64.83603	0.3
67.05489	0.8
70.83623	0.9
81.07043	0.9
86.06071	1.1
93.07030	0.7
95.04985	0.4
95.06087	0.7
98.23568	0.3
112.08691	0.4
165.07037	0.4
178.07841	1.2
179.08566	2.6
189.06946	2.6
190.07780	5.0
191.08562	4.2
193.10173	0.8
201.06972	0.7
202.07808	6.1
203.08548	4.5
204.09447	0.4
205.06465	0.8
205.10162	1.9
207.08057	4.5
208.08864	1.2
215.08525	0.4
217.06580	1.6
217.08542	0.4
218.07309	38.7
218.09596	4.0
219.08041	9.0
219.10126	0.8
221.06187	2.2
221.09616	7.2
222.10359	1.2
229.07555	2.0
231.07994	0.5
232.08896	0.4
233.09627	100.0
234.10384	17.7
235.07581	19.4
235.09959	1.2
236.08264	2.6
237.09154	0.5
247.11121	0.4
249.09225	1.7
249.11359	0.4
250.09879	20.6
250.12309	32.1
251.12581	0.7
264.19666	1.7
265.12256	27.3
266.12549	0.5
292.13354	3.5
324.15985	3.0
339.19357	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.2
56.05033	1.5
57.03422	1.4
60.04532	12.0
67.01857	1.9
67.46234	1.4
69.03090	1.7
69.03436	23.8
70.02954	1.7
70.06602	7.9
70.06904	1.5
70.98753	3.2
72.08159	14.6
74.06090	6.8
83.06107	2.1
84.04490	5.0
84.08141	8.7
85.02908	15.9
86.06073	2.6
86.09716	7.9
87.05588	2.6
95.06126	1.8
96.04514	1.5
97.02890	2.1
99.04459	26.9
102.05540	2.0
103.05481	2.8
110.07177	3.2
113.02396	10.4
113.07104	3.4
120.08116	46.7
127.03928	100.0
129.10255	3.6
131.08167	10.7
135.86307	1.7
137.05991	7.9
144.08066	2.3
145.04965	35.7
159.07646	6.3
162.05464	2.5
166.08640	13.3
177.10210	2.2
180.08553	1.6
180.20302	1.4
207.11270	12.5
223.10820	1.4
235.10777	2.9
236.12871	1.6
324.10480	14.7
324.14191	2.9
324.22513	1.8
326.36655	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	323.2584
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
53.03942	6.0
55.01868	4.9
55.05516	27.1
57.03438	4.9
57.07061	7.1
59.05001	3.3
62.88390	2.7
65.03956	4.2
67.05506	42.8
69.03423	5.6
69.07079	45.9
70.06586	4.5
71.04980	10.9
71.08629	2.6
71.49922	3.3
72.08156	3.8
75.62827	2.7
79.05499	37.9
81.03429	4.1
81.06589	5.3
81.07063	100.0
83.04971	5.9
83.08630	14.2
84.08161	3.6
85.02914	3.1
85.06537	7.0
86.09700	9.5
88.02465	2.3
91.05487	39.3
93.07053	69.9
95.04999	12.4
95.08614	94.5
97.06533	14.4
97.10164	9.1
99.08099	5.7
101.06047	2.9
105.07040	52.7
107.04987	2.9
107.08599	62.6
109.06529	8.9
109.10163	63.3
111.04462	2.6
111.08099	10.2
111.11694	4.0
113.05967	5.4
117.07021	8.6
119.08593	51.5
121.06490	5.6
121.10143	41.5
123.04425	2.8
123.08098	6.4
123.11684	24.0
125.05975	2.9
125.09628	8.0
127.07571	4.6
129.07013	8.5
131.08580	18.3
133.10143	56.5
135.08069	5.4
135.11691	37.6
137.09618	4.5
137.13298	6.0
139.11171	7.5
141.09135	4.2
143.08577	10.6
145.10158	21.9
147.08116	2.6
147.11702	53.0
149.05949	4.5
149.09639	5.0
149.13271	27.0
151.11191	6.8
151.14838	3.6
157.10172	13.2
159.08119	3.7
159.11719	19.2
161.13257	16.7
163.11241	2.8
163.14850	6.6
167.10667	3.3
170.10869	3.2
171.07994	3.6
171.11722	15.0
173.09694	3.0
173.13268	7.4
173.37650	2.3
175.07620	2.8
175.11287	3.3
175.14890	13.1
177.09392	2.8
177.12802	3.5
177.16429	7.8
179.14542	2.8
183.11705	3.5
185.13243	11.9
187.14832	8.9
189.16385	20.8
191.17964	5.2
199.14793	3.2
201.16403	8.2
203.14311	5.4
203.17987	17.7
205.19511	3.7
209.09743	2.7
213.16493	20.1
217.19484	9.3
231.17548	18.1
249.18549	5.3
269.22720	7.7
287.16452	3.7
287.23709	9.7
293.24927	3.2
305.17371	12.6
305.24738	17.9
323.19083	7.0
323.22888	3.8
323.25909	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2584
Annotation	19-hydroxy-ETA
Peak:m/z	Relative Intensity
51.48568	2.6
53.03951	4.1
55.01859	4.7
55.05511	27.2
57.03444	6.0
57.07079	7.9
65.03942	2.9
67.05510	37.5
69.03422	6.5
69.07076	44.1
70.06589	4.0
71.04986	9.4
72.08169	3.6
79.05504	30.9
81.06592	5.5
81.07064	100.0
83.04986	8.2
83.08623	14.6
84.08157	3.2
85.02924	3.7
85.06552	13.0
86.09710	12.7
91.05499	30.5
91.68728	2.8
93.07053	60.6
95.04978	9.5
95.08617	89.9
97.06534	8.7
97.10159	13.0
99.08111	4.3
101.06042	3.1
105.07046	46.4
107.08605	57.4
109.06544	9.1
109.10174	58.7
111.08096	7.6
111.11713	6.9
113.06028	2.9
115.07566	3.7
117.07056	3.3
119.08603	43.2
121.10155	41.2
123.08085	10.0
123.11735	22.2
125.09637	6.2
127.07601	3.1
127.11243	3.0
131.08597	13.3
133.10147	42.2
135.08101	4.2
135.11723	37.1
137.09648	5.7
137.13269	16.2
138.09979	2.9
139.11223	4.5
143.08591	5.3
145.10123	21.0
147.11702	33.3
149.05994	6.6
149.09645	4.1
149.13289	24.2
151.11168	6.3
153.12794	3.0
155.10667	5.8
157.10138	6.1
159.11679	13.6
161.13261	16.6
163.14825	11.5
165.12766	5.1
171.11719	6.9
173.11829	3.5
173.13290	8.8
175.14853	8.3
177.16432	9.2
181.10077	2.7
183.11678	3.6
185.13289	5.3
187.14864	6.3
189.16350	19.3
191.17894	4.1
201.16391	8.5
203.17961	13.9
207.17429	3.8
213.16408	11.6
217.19557	9.9
231.17442	12.7
257.22690	3.8
269.22614	7.5
275.23853	3.7
287.16501	3.4
287.23627	13.5
305.17578	5.4
305.21692	2.7
305.24820	18.1
323.18970	3.8
323.26245	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2582
Annotation	19-hydroxy-ETA
Peak:m/z	Relative Intensity
53.01448	1.8
53.03936	2.5
55.01860	2.7
55.05297	1.7
55.05514	16.7
57.03425	4.5
57.07073	6.8
59.05003	10.9
61.53722	1.6
64.03372	1.6
67.05508	28.9
69.03428	2.9
69.07072	19.8
70.89539	4.9
71.04990	5.9
75.04479	6.6
79.05497	19.7
81.07059	66.8
83.04977	5.4
83.08612	11.7
84.90468	1.8
85.06549	9.5
87.04456	6.3
91.05468	16.9
93.07044	47.4
95.04949	4.9
95.08612	100.0
97.06528	5.5
97.10180	5.3
99.08088	4.6
102.30415	1.7
105.07034	23.0
107.08594	53.0
109.06525	4.7
109.10164	54.3
111.08086	3.9
111.08791	1.7
111.11749	2.4
113.05980	5.9
115.07576	2.5
117.07016	2.9
119.08583	21.7
121.09344	2.9
121.10154	33.5
123.08083	6.3
123.11720	23.7
125.09621	4.6
131.07037	3.3
131.08583	8.6
133.10156	18.5
135.08076	2.9
135.11685	23.0
137.09613	3.6
137.13255	6.1
137.73734	1.8
141.09167	8.5
143.10696	8.8
145.10159	9.1
147.11693	19.1
149.09605	2.5
149.13271	41.2
151.14821	12.2
157.10147	4.7
159.10379	11.3
159.11687	10.8
161.09572	2.5
161.13255	13.9
163.14835	9.9
171.11664	3.2
173.13283	10.1
175.14827	5.6
177.12680	2.3
177.16299	2.2
184.31354	1.8
187.14824	3.5
189.16428	5.8
191.17998	1.9
199.14867	2.6
201.16405	2.4
203.17967	17.5
205.19574	12.0
213.16403	7.3
215.17859	1.9
217.19542	5.4
219.21014	4.0
229.19461	8.1
231.21078	3.7
247.20554	4.8
269.22629	10.6
287.23779	10.6
305.17508	2.2
305.24759	7.5
323.25827	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	323.2583
Annotation	19-hydroxy-ETA
Peak:m/z	Relative Intensity
53.03940	3.9
55.01868	5.7
55.05512	33.3
57.03433	8.9
57.07082	9.7
59.05001	8.2
61.00121	2.0
65.03899	2.5
67.05508	37.3
69.03432	8.6
69.07076	25.1
70.06583	2.0
71.04993	7.4
75.04479	5.2
79.05497	31.6
81.03404	2.8
81.07064	81.2
83.04976	9.2
83.08619	14.6
84.08150	2.5
85.02905	3.3
85.06531	15.0
87.04469	7.4
91.05484	22.3
93.07054	59.5
95.04973	8.2
95.08616	100.0
97.06546	8.9
97.10191	14.4
99.08083	3.8
105.07049	32.6
107.05022	3.3
107.08605	58.3
109.06530	7.0
109.10167	66.0
111.08090	9.5
111.11747	2.7
113.05991	6.3
115.07555	2.9
117.07064	8.1
119.08595	31.0
121.10150	36.8
123.08067	11.3
123.11724	23.1
125.09650	11.2
129.07004	3.4
131.07095	4.2
131.08586	11.8
133.06558	2.8
133.10136	26.5
135.08057	8.7
135.11702	28.6
137.05983	2.7
137.09627	5.6
137.13268	10.1
141.09143	9.8
143.08537	6.1
143.10684	7.8
145.10132	13.0
147.08005	3.0
147.11678	22.0
149.06004	2.3
149.09619	2.8
149.13274	45.6
151.07527	3.6
151.11127	3.8
151.14833	7.5
153.09196	2.9
155.08452	2.6
155.10785	2.4
157.10143	6.6
159.08121	3.7
159.10182	10.1
159.11697	12.0
161.13243	23.2
163.14839	15.6
165.12756	3.5
171.08032	2.6
171.10262	3.1
171.11731	5.0
173.13292	9.8
175.14879	6.8
177.16402	5.0
179.07097	3.2
185.13309	2.9
187.14815	7.3
189.11249	7.3
189.16418	6.8
191.17969	5.0
199.14891	6.3
201.16393	3.5
203.17979	14.5
205.19507	13.0
213.16386	6.9
217.19574	8.4
227.12851	10.8
227.17856	4.4
229.19560	11.3
231.17433	2.7
231.21127	6.1
245.22658	2.6
247.20532	4.6
259.17084	3.7
269.22690	12.9
277.17902	2.9
287.16373	12.3
287.23788	17.0
305.17508	11.2
305.24820	9.4
323.18246	25.7
323.26273	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	323.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.5
55.01876	13.6
55.05515	22.1
55.93528	18.8
56.94299	5.0
57.03437	6.6
57.07058	4.6
59.04982	6.8
66.17487	2.9
67.05508	31.7
69.03416	8.7
69.07073	31.0
70.06575	12.3
70.30225	3.4
70.30588	9.9
70.95843	3.2
71.04993	25.5
72.08138	8.8
72.93770	7.7
73.06578	3.0
79.05495	36.4
79.73665	3.0
81.03412	7.5
81.07062	99.2
83.04966	9.0
83.08626	15.4
84.08144	7.4
85.06528	11.7
86.09704	5.2
89.50626	3.0
90.94850	3.5
91.05492	25.9
93.07055	51.9
95.04942	7.4
95.08617	51.0
97.06543	20.4
97.10147	8.7
98.21480	4.0
99.08072	7.3
105.07039	35.0
107.04939	3.5
107.07898	3.4
107.08598	50.4
109.06499	9.8
109.10175	45.9
111.08055	10.0
111.11713	5.2
112.11258	3.4
113.09631	10.3
117.07021	9.1
119.08585	35.9
121.06506	4.6
121.10152	42.9
123.04485	3.1
123.08060	8.9
123.11668	9.7
123.60590	3.0
125.05946	2.8
125.09637	17.2
127.07560	3.3
127.11176	9.3
131.08565	13.2
131.98685	4.3
133.10135	23.0
135.08089	3.3
135.11674	16.3
135.41249	2.8
137.09613	12.6
137.13271	7.1
139.11113	4.4
143.08556	4.8
143.10677	11.3
145.10124	27.6
147.04407	3.1
147.11671	17.5
149.09567	6.4
149.13254	10.1
151.07549	6.5
151.11127	7.6
155.10617	4.0
157.10098	7.6
159.11746	20.7
161.13277	6.6
163.11156	4.5
171.11664	5.3
173.13254	7.7
175.14780	7.8
177.16373	26.9
185.13170	8.0
187.00519	3.5
187.14836	5.3
189.16196	3.2
191.33235	2.6
193.15900	2.9
195.17422	10.3
199.14771	6.2
201.16376	30.9
203.18031	3.2
205.01575	6.1
205.15834	10.1
206.87949	3.0
209.13449	3.5
210.03386	11.8
213.16367	4.6
219.17422	3.7
223.16959	23.1
225.09740	4.4
228.04306	15.4
269.22534	5.9
281.69714	2.9
282.05264	3.6
287.16364	4.0
287.23679	9.5
300.06613	29.8
305.17239	9.1
305.24796	22.7
318.07437	3.6
323.05511	4.2
323.09232	4.6
323.12714	5.0
323.14026	5.1
323.18231	100.0
323.25992	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	323.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.9
55.01863	11.8
55.05515	19.9
57.03435	18.2
57.07082	3.3
61.02918	10.6
65.03937	3.5
66.80280	3.2
67.05507	37.0
69.03435	41.6
69.07073	19.7
70.18229	2.7
71.01352	5.6
71.05007	14.1
71.50546	3.9
73.02901	12.9
79.05498	37.1
81.03420	22.9
81.06601	4.1
81.07064	72.6
83.04977	15.5
83.08628	5.8
84.08161	3.2
85.02911	62.0
85.06525	9.7
87.04443	7.4
91.05482	47.5
93.06480	5.1
93.07041	68.0
95.04962	12.5
95.08610	56.7
97.02886	21.9
97.06525	16.9
97.10156	6.3
99.04452	12.3
99.08083	5.2
100.41177	3.2
101.02405	3.3
103.03925	6.8
105.07035	100.0
107.04940	8.2
107.08601	50.4
109.02877	10.6
109.06530	15.3
109.10170	26.5
111.04435	8.3
111.08083	11.5
115.03905	6.6
117.07030	18.4
119.08579	67.7
121.06509	12.4
121.10139	26.1
123.04420	4.6
123.08069	12.8
123.11674	10.4
125.06082	4.0
125.09634	6.6
127.03919	12.5
128.06248	5.6
129.05478	3.0
129.07011	11.3
130.07797	4.2
130.67935	3.6
131.08562	35.9
133.05016	2.8
133.06525	4.9
133.10143	47.8
135.08028	11.2
135.11690	22.2
137.05972	5.7
137.09554	4.4
137.13216	6.1
139.07484	4.3
142.07765	8.5
143.08546	23.6
144.09341	5.9
145.04955	6.1
145.06465	4.4
145.10124	29.2
147.08025	9.7
147.11688	27.1
149.09615	8.1
149.13287	16.2
153.08948	3.0
155.08551	10.1
156.09351	4.1
157.10117	18.3
159.08057	6.5
159.11708	66.5
161.09573	5.9
161.13271	92.3
163.11186	8.3
163.14825	12.8
164.89832	3.0
169.10098	7.0
171.11723	14.7
173.13281	29.6
175.11159	6.5
175.14845	14.1
177.09120	4.2
177.12747	21.0
179.14325	26.7
183.11728	6.1
185.13255	24.1
187.14833	6.6
189.09158	4.0
189.12718	6.2
191.14325	9.4
193.15804	3.6
195.11710	6.1
197.13274	11.5
198.64224	3.3
199.14859	5.6
201.12759	9.7
201.16261	4.5
203.14340	16.7
209.13214	6.1
213.16371	5.3
215.14267	14.2
227.14308	8.0
241.15858	5.3
245.15297	8.4
269.15308	10.4
287.16440	17.1
287.23615	3.8
293.24872	4.5
305.17496	26.2
323.18530	83.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	6.1
62.06093	100.0
63.75961	1.1
67.05509	15.8
69.07062	6.2
70.06589	0.9
70.33279	3.4
71.08002	1.0
79.05497	10.7
81.07052	16.0
83.08615	2.7
91.05489	6.9
93.06493	1.2
93.07051	14.5
95.08617	12.5
97.10176	1.5
99.04398	1.0
105.07019	4.0
107.08617	6.9
109.10148	3.6
117.06986	1.5
119.08578	3.0
121.10131	5.9
123.11756	1.4
131.08571	1.5
133.10104	2.0
135.11678	3.9
145.10092	1.9
149.13263	1.6
159.11647	1.2
163.14891	1.7
304.26453	1.3
305.24725	22.4
322.27469	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	322.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32306	0.8
55.05518	6.7
55.86292	1.0
60.05636	0.9
70.06599	8.3
70.79559	2.8
71.56496	0.8
72.08162	97.3
79.05492	1.0
79.52065	0.8
84.08171	4.6
86.09721	3.7
91.05502	1.4
93.07064	1.4
103.05499	3.0
110.07166	1.3
112.11252	1.2
112.70504	0.9
114.58807	0.9
120.08118	72.7
125.05999	0.9
129.05403	0.9
129.10254	100.0
131.04939	1.1
138.06854	0.8
142.08612	1.0
149.05965	0.9
157.09744	20.0
157.10968	1.7
166.08665	36.6
171.10010	0.9
177.10265	3.3
195.84325	1.0
201.02383	0.9
256.42813	0.8
282.98331	0.9
285.71051	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30048	0.9
53.03935	1.0
54.10035	0.9
55.01866	3.3
55.05504	3.7
57.03428	1.7
58.06595	1.0
59.04997	1.7
61.67589	0.9
62.30818	0.9
65.03961	0.9
67.05504	6.1
69.03415	2.3
69.07072	13.8
70.06589	7.5
71.04986	4.2
71.49250	1.4
72.08150	4.0
74.02444	1.5
79.05499	12.9
80.05823	1.1
81.03411	1.3
81.07062	7.0
82.06571	1.9
82.07367	1.7
83.04971	4.3
84.04454	1.1
84.08140	3.9
85.02893	2.0
85.06537	1.9
86.09714	100.0
87.10030	1.0
91.05485	13.0
92.05864	1.0
93.07053	15.5
94.07420	1.5
95.04960	2.4
95.06081	1.6
95.08624	4.7
96.08949	1.3
97.06530	2.4
98.06093	1.2
105.07040	17.7
106.06604	1.1
106.07348	1.3
107.04962	4.6
107.08599	19.0
108.08931	1.7
109.06514	3.8
109.10159	2.6
110.10516	1.4
111.20652	1.1
112.08652	1.1
112.11254	1.1
112.22578	0.9
113.06022	0.9
115.05496	1.2
116.06217	1.1
117.07043	7.6
119.08586	8.3
120.08083	3.1
120.08863	1.3
121.06494	4.7
121.10163	7.9
123.08057	1.7
125.06013	2.1
127.44185	0.9
128.10712	3.6
129.07024	4.5
130.06508	1.1
130.07765	1.8
131.08578	28.4
132.10216	24.4
133.10162	2.1
134.10483	1.6
135.04460	1.2
135.08029	1.5
135.11673	3.1
137.05966	1.4
137.09657	1.3
142.08632	3.1
143.08559	2.7
145.06488	1.2
145.10138	21.1
146.05954	1.1
147.08029	3.3
147.11678	4.7
149.05974	1.4
149.09634	43.2
150.12772	2.7
160.09663	1.9
163.11203	13.2
165.12724	1.3
167.10692	6.4
170.10287	0.9
173.09618	5.8
191.10692	12.3
196.13318	3.0
202.16649	1.2
206.15440	1.9
208.13319	1.4
209.11740	3.7
217.86487	1.0
220.13377	2.3
252.16101	1.1
258.18521	6.9
276.19629	26.6
292.19254	1.6
294.20563	5.7
304.19116	5.2
304.23465	1.7
315.24765	1.0
322.10849	1.1
322.20248	26.6
322.24149	0.8
323.19949	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07417	0.5
55.05500	1.2
56.05001	0.6
58.06585	0.5
59.04966	1.8
59.23512	0.5
67.05481	2.0
70.06549	1.9
71.50350	0.7
72.08163	28.9
79.05499	2.8
81.03386	0.5
81.07044	2.4
81.67825	0.4
84.08105	0.6
90.09209	5.3
91.05449	1.7
91.87012	0.5
93.07073	2.5
95.08561	1.9
97.06562	0.5
99.04363	0.6
100.19867	0.6
105.06979	1.1
107.08580	1.0
112.08640	0.5
116.01218	0.5
119.08512	0.5
125.73331	0.5
131.89619	0.5
140.03793	0.8
146.34839	0.5
153.05423	0.6
206.09648	1.7
208.11244	0.5
218.09653	1.5
219.10342	0.6
219.99933	0.5
222.09190	1.1
225.16682	0.5
232.07533	0.8
234.09253	2.8
235.09908	1.0
236.08376	0.9
236.10715	13.5
236.13026	0.8
246.09148	0.7
247.09926	2.2
248.10710	4.5
249.11510	46.0
250.08687	7.4
250.11374	0.7
264.10211	16.9
265.11002	23.4
277.21677	3.9
279.12549	4.6
280.13345	100.0
281.13727	1.9
291.12561	0.7
299.06042	0.6
307.12109	0.6
322.14417	38.4
322.27399	9.2
323.14926	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1765
Annotation	Gly Phe Val
Peak:m/z	Relative Intensity
55.05521	2.0
56.05031	0.9
60.05652	0.7
62.02115	0.3
63.25902	0.5
69.07069	0.4
70.06596	8.1
70.83399	1.1
71.04996	0.5
71.06931	0.3
72.08162	22.7
72.19072	0.4
75.19473	0.4
78.04404	0.4
81.78286	0.4
83.06153	0.5
84.04533	0.9
84.08141	4.1
85.02895	0.6
86.09719	3.1
88.60288	0.4
91.05480	0.9
93.07059	1.1
95.06098	0.7
98.06087	0.5
103.05481	1.9
105.07019	0.4
110.07183	1.2
112.08691	0.7
112.11255	0.9
115.08673	0.4
116.07104	1.8
118.08670	5.2
120.08117	100.0
121.08466	1.0
125.06005	0.5
126.93442	0.3
129.10283	1.9
132.08032	0.4
142.08669	1.4
145.10143	0.9
147.04468	0.5
152.14529	0.4
160.09711	0.6
166.08643	1.5
174.09084	0.4
175.11928	0.8
177.10246	48.2
178.05838	0.5
178.10612	0.6
205.09743	9.7
215.14368	0.4
216.12177	0.4
223.10950	0.6
234.02271	1.3
265.15466	0.9
282.42606	0.4
304.67038	1.3
305.16708	0.8
313.18307	0.8
313.67639	1.4
322.14374	1.1
322.18985	1.7
344.42032	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.9927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02127	0.1
79.05502	0.1
82.99853	0.1
93.63280	0.1
98.97578	0.1
101.00873	0.7
109.83646	0.1
113.67831	0.1
116.98705	0.1
119.01922	1.8
120.02001	0.1
122.97881	0.3
123.98646	0.2
125.67574	0.1
131.99687	0.1
134.99857	0.2
137.02950	0.4
140.98764	0.7
141.99667	0.1
142.03535	0.1
144.96442	0.1
153.01044	0.1
155.92397	0.1
158.99886	1.8
177.00958	13.2
178.01045	0.5
179.01312	0.1
180.17412	0.1
182.99831	2.0
187.48112	0.1
195.02078	0.1
196.94530	0.1
200.02573	0.2
201.00934	9.0
202.01132	0.3
202.93542	0.3
205.05638	0.1
214.95630	0.1
218.03667	0.2
219.02008	100.0
220.02148	3.6
220.94551	0.2
221.02466	0.7
224.02530	0.3
233.03702	0.1
236.99821	0.1
237.03094	0.2
238.95567	2.7
242.03604	4.6
243.03870	0.1
256.96637	7.6
257.96747	0.5
258.96408	0.1
259.00046	0.1
260.00217	0.4
261.02982	0.5
261.97186	0.3
262.03073	0.1
262.95380	0.5
272.94653	0.2
274.94727	0.1
274.97623	1.6
275.97595	0.1
276.04855	0.2
277.95349	0.1
278.01123	0.2
279.98227	1.1
280.45987	0.1
280.96570	1.8
289.45935	0.1
290.95483	0.1
297.99295	0.2
298.18695	0.2
298.97681	34.1
299.18909	0.3
299.97766	1.3
300.98175	0.1
301.00952	0.2
303.98175	0.2
307.93057	0.2
308.43088	0.2
309.96313	0.1
310.43478	0.1
311.15164	0.1
312.99155	0.1
314.95682	0.2
316.93057	0.2
316.95395	0.4
316.98822	0.2
317.43646	0.2
319.43823	0.8
319.93753	0.4
320.43689	0.1
321.99277	3.2
322.99594	0.1
323.04166	0.1
328.44284	0.5
328.94232	0.3
329.43945	0.1
332.97012	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	321.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70171	0.5
53.03946	0.8
55.01876	0.8
55.05519	6.4
55.63736	0.6
57.07082	1.5
62.35981	0.6
65.03969	1.0
67.05514	12.4
69.07069	4.1
69.77953	2.1
69.78369	1.2
70.06601	4.9
71.06970	0.8
72.08163	100.0
73.08482	0.8
79.05069	1.2
79.05502	14.4
80.94193	0.6
81.03432	1.0
81.07068	11.4
82.44879	0.5
83.08633	1.8
84.08112	0.6
84.71367	0.7
88.07629	2.2
89.10796	3.4
91.05489	5.0
93.07054	13.2
95.04971	1.2
95.08614	7.9
97.06510	0.7
97.10157	0.7
98.06049	1.7
99.08066	0.8
102.09221	0.7
103.09538	0.7
105.07029	3.4
107.08597	5.9
109.06545	0.8
109.10168	4.0
117.07024	1.4
117.12909	0.6
119.08568	2.6
121.10155	7.0
123.07947	0.7
123.11687	1.5
125.09605	1.1
130.36417	0.5
131.08539	2.1
133.10091	2.4
135.08038	1.2
135.11649	2.6
137.09555	0.8
145.10085	1.8
147.11623	1.1
149.13249	1.5
159.11649	1.6
173.13264	0.7
215.17702	0.8
257.26544	2.4
258.26932	1.4
259.27222	3.9
303.30185	0.7
304.26367	51.2
305.26303	0.8
321.28687	49.8
322.29047	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2425
Annotation	11R,12S-EpETrE
Peak:m/z	Relative Intensity
53.03954	7.0
55.01877	9.0
55.05514	27.6
57.03431	9.9
57.07068	11.0
59.05014	5.6
60.70675	3.5
65.03910	5.1
67.05514	33.2
69.03440	20.8
69.07063	25.9
70.06586	10.0
70.48456	7.4
70.48815	6.7
71.04992	9.4
72.08153	7.3
74.08269	4.0
75.04459	3.7
79.05495	34.6
81.07059	100.0
83.04977	11.1
83.08616	10.0
84.08162	11.0
85.06535	11.7
91.05484	30.5
93.07042	57.1
95.04970	18.7
95.08611	53.8
97.06539	18.1
97.10143	5.7
99.04420	4.0
99.08089	6.3
105.07037	65.5
107.08598	68.2
109.06530	28.5
109.10165	46.8
111.08085	8.6
113.06055	5.2
115.05373	3.4
117.07084	7.1
119.08587	41.4
120.08111	4.3
121.06549	6.0
121.10152	30.2
123.08080	12.4
123.11711	10.5
125.09660	6.6
127.07491	4.6
127.11205	4.8
129.06995	4.1
131.08553	15.4
133.10149	45.9
135.08076	9.1
135.11719	21.2
137.09619	9.7
139.11162	5.6
141.09094	7.3
142.07774	5.6
143.08614	4.8
145.10123	26.8
147.11705	47.1
149.09647	5.2
149.13234	20.8
151.11221	43.3
157.10144	10.5
159.11771	21.8
161.09660	4.1
161.13280	7.7
163.11172	9.6
163.14783	3.8
165.09119	4.5
165.12738	28.1
169.10110	5.1
171.11693	6.3
173.13312	8.0
175.11212	4.8
175.14777	9.6
185.13249	5.2
187.14795	10.1
189.16487	6.0
193.15919	3.8
199.14890	8.6
201.16353	8.9
203.14360	3.9
203.17934	9.0
211.14851	8.3
215.17923	3.7
217.15959	6.8
227.17970	6.8
229.15918	6.1
229.19595	3.5
235.16913	6.1
267.20819	4.7
275.23709	3.4
285.22083	10.3
303.23227	17.8
321.24252	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	321.2424
Annotation	11,12-EpETrE
Peak:m/z	Relative Intensity
53.03952	4.2
53.56622	2.2
54.04746	2.0
55.01864	4.1
55.05513	14.5
57.03435	5.7
58.89939	2.3
59.04995	3.8
67.05508	23.2
69.03410	6.6
69.07072	11.3
70.59203	4.1
70.59608	4.6
71.04978	5.5
79.05495	34.4
81.03432	3.0
81.07057	100.0
82.81226	2.1
83.04994	4.8
83.08611	9.1
85.06527	8.5
91.05483	28.9
93.07047	57.0
95.04958	5.6
95.08607	39.6
95.09178	2.8
97.06527	11.5
99.08073	3.5
99.55344	1.9
105.07036	41.5
107.08603	51.1
109.06514	15.2
109.10148	32.0
110.80106	1.9
111.08074	12.8
115.07610	1.9
117.07024	7.2
119.08582	36.0
121.10138	24.8
123.08041	11.4
123.11704	7.3
124.09352	2.0
124.16033	2.0
125.09625	3.8
127.07545	3.0
129.07034	2.5
131.08574	13.5
133.10129	23.5
135.08035	5.4
135.11685	31.5
137.09628	6.8
143.08575	6.1
145.10138	20.8
147.11694	27.2
149.09610	5.0
149.13261	9.0
151.11140	14.7
153.12703	3.4
157.10150	7.6
159.11681	12.0
161.09586	3.6
161.13261	7.6
163.11177	5.5
163.14804	6.7
165.12802	6.2
169.10124	3.1
171.11705	5.7
173.09767	2.2
173.13223	11.9
175.11168	4.3
175.14819	15.7
177.12766	4.2
181.12259	5.4
182.43434	2.2
183.11618	2.8
185.13303	4.6
187.14839	6.8
189.12799	2.2
189.16412	2.8
191.14258	4.1
193.15889	7.9
197.13145	2.9
199.14816	4.7
201.16368	6.9
203.14325	3.2
205.15866	2.4
209.15303	3.0
211.14914	3.0
211.17003	3.8
221.15407	7.7
225.16382	2.8
227.17885	7.0
229.15918	4.5
245.18930	3.9
263.20209	3.5
267.21054	5.6
269.73987	2.0
272.40585	2.0
273.22107	4.1
285.22107	6.5
292.20334	2.2
303.16010	2.6
303.19797	2.4
303.23172	8.6
321.16888	4.6
321.20688	7.1
321.24237	23.1
323.78085	2.4
330.24106	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	321.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.3
55.05500	4.5
57.03437	1.5
67.05516	5.0
69.03428	2.1
69.07068	4.4
70.06588	1.5
71.04984	2.0
71.50970	1.1
72.08154	1.7
79.05479	6.0
81.07056	6.7
83.05018	1.7
83.08620	2.5
84.08128	2.3
86.09711	93.2
91.05486	5.6
93.07043	8.4
95.04951	2.2
95.08607	8.6
97.06525	2.2
99.08132	1.0
102.51894	0.9
103.05472	4.4
104.69518	0.9
105.07045	6.2
107.04949	3.0
107.08603	5.5
109.06498	2.6
109.10144	4.1
111.08077	2.1
113.06001	1.0
115.05474	1.2
117.07042	2.0
119.08572	6.0
120.08115	100.0
121.10146	4.2
123.08080	1.7
123.11671	1.7
125.09634	1.5
127.03925	1.0
127.11176	1.6
128.10724	46.1
128.88390	1.1
129.06917	1.1
131.04903	2.1
131.08566	4.2
133.10149	5.5
135.11688	2.2
137.09589	1.2
142.07777	1.2
143.08572	1.3
145.10109	4.8
147.08092	1.1
147.11674	3.1
149.05981	2.0
149.09605	1.4
151.07533	1.4
151.11131	2.6
155.08479	1.1
156.10216	10.4
157.10164	2.9
159.08044	1.5
159.11664	2.6
161.13214	1.7
166.08650	56.1
171.11646	2.2
173.13284	1.3
174.53659	1.1
177.09154	1.3
183.11623	1.7
185.13205	1.5
187.14865	1.7
193.15865	1.5
199.14819	1.4
211.14754	1.2
213.16353	1.3
218.16525	1.1
229.15837	2.8
247.16982	1.4
279.06836	1.1
285.22363	1.1
303.16089	1.9
303.19373	1.4
303.22888	2.5
321.16895	2.1
321.20587	2.8
321.23972	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	321.2424
Annotation	11R,12S-EpETrE
Peak:m/z	Relative Intensity
51.76601	4.1
53.03934	7.1
55.01873	10.5
55.05511	30.1
57.03432	8.3
57.07066	7.5
59.04985	8.8
67.05505	48.4
67.06835	3.7
69.03433	10.3
69.07063	27.7
70.28243	7.5
70.28594	12.0
71.04997	4.9
79.05496	41.1
81.03480	3.7
81.07066	100.0
83.04977	18.0
83.08620	16.2
85.06538	15.7
87.04482	7.2
91.05022	4.2
91.05485	35.7
93.07050	65.4
95.04967	14.0
95.07995	4.8
95.08610	78.2
97.06525	18.3
97.10174	4.2
99.04469	4.5
99.08111	6.0
105.07037	56.3
107.07877	6.7
107.08596	96.5
109.06512	16.4
109.10165	38.0
111.08070	12.3
111.11769	4.4
116.38275	4.0
117.07009	14.9
117.63217	3.8
119.08581	71.8
121.06491	5.6
121.10149	37.2
123.08067	11.7
123.11753	5.9
123.69972	3.8
125.09630	20.8
131.08560	30.7
133.10144	37.7
135.08078	8.3
135.11694	47.2
137.09615	9.4
137.13200	6.0
139.11145	4.4
141.09100	14.8
143.08591	8.5
143.10666	7.2
145.10098	44.1
147.11682	29.9
149.09601	6.6
149.13249	26.2
151.11166	17.4
153.09094	9.1
157.10150	13.2
159.11711	40.5
161.13261	18.3
163.11189	7.6
163.14828	10.6
165.12761	10.8
167.10640	4.9
169.10176	6.4
171.11711	7.3
173.13258	18.9
175.11171	6.2
175.14803	12.0
177.12773	7.4
179.14377	7.3
181.12204	10.3
183.11691	8.7
185.13260	12.1
187.14786	7.3
191.14314	6.8
192.62096	4.7
193.15837	5.0
199.14734	6.8
201.16386	18.3
203.17975	7.3
211.14836	9.1
213.16342	6.1
215.18008	8.9
219.17360	4.5
225.16422	5.1
227.17958	11.1
245.19060	5.5
251.15637	5.0
251.50131	4.6
267.21030	12.0
285.22125	24.8
291.23035	4.8
303.23260	39.9
321.17181	5.6
321.21011	4.7
321.24225	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58070	0.6
67.05509	9.8
69.07057	0.7
70.06599	0.9
71.22008	1.5
72.08154	2.3
79.05520	1.1
79.60599	0.6
81.03413	0.7
81.07047	1.6
84.08121	1.6
86.09685	1.1
91.05482	2.1
93.07069	1.6
94.06568	9.7
95.05009	1.0
97.06528	0.9
100.22304	0.6
120.08060	0.8
122.06039	29.9
122.06922	1.6
123.04378	0.8
129.10240	0.7
136.07584	59.3
140.07060	0.8
144.99478	0.8
164.07083	100.0
165.07397	1.1
182.08145	69.4
209.75003	0.6
217.09473	0.9
304.11859	0.9
335.22983	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99854	1.8
61.02773	1.1
63.97392	1.1
65.93357	1.3
68.98302	2.0
69.83440	5.3
70.99849	2.7
74.14739	1.2
82.99833	12.8
84.08120	5.1
85.01400	1.6
85.02886	1.5
85.22984	1.2
94.99825	2.9
97.01397	9.0
98.93432	1.3
99.02959	2.0
101.00893	65.0
101.08377	1.2
103.02446	1.5
103.77123	1.3
113.00127	1.8
113.00877	28.6
115.02445	25.2
117.04015	11.4
119.01937	45.3
125.00843	3.7
127.02436	7.9
129.00294	1.3
129.03960	3.6
129.10281	2.2
130.08540	1.4
131.01920	37.0
133.03481	26.7
135.05045	6.9
137.00864	8.3
137.02956	3.8
138.01651	1.7
139.02394	2.2
141.00307	1.8
141.03964	5.7
143.00885	2.0
143.01910	25.8
144.99803	2.1
145.03477	20.4
147.01372	2.4
147.11285	1.9
149.02957	2.5
151.04521	2.0
153.04080	2.7
155.01918	43.4
155.05476	3.7
156.02631	5.4
157.03474	9.0
159.01344	1.6
159.05052	42.2
161.02975	19.9
163.04494	5.7
168.99823	11.0
171.01364	5.2
171.05045	47.0
173.01454	1.7
173.02962	23.2
173.06569	9.1
175.04491	3.0
177.06129	9.2
183.05052	2.2
185.02945	7.1
185.06615	2.5
187.00905	21.6
189.02470	8.8
189.06099	20.2
191.03990	7.4
191.07593	2.1
195.04971	2.4
196.99388	7.2
197.02927	1.9
199.04590	1.7
201.02364	4.6
201.06108	16.0
203.04030	29.4
203.07675	2.7
205.01866	3.2
213.06161	9.1
214.98476	2.1
215.00398	23.4
217.01910	1.4
219.01686	2.9
219.03566	3.1
219.07106	5.6
221.05081	45.7
229.01952	17.3
231.03493	2.5
231.07053	3.3
233.01483	2.3
233.05086	13.1
243.07210	9.6
245.05028	3.2
247.00545	2.6
247.03043	43.4
248.02887	1.9
249.04594	2.2
261.08234	87.9
262.08426	2.0
265.04050	3.5
279.09280	100.0
280.09296	1.8
289.04102	6.5
321.06772	3.1
321.10278	65.3
321.17639	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	321.067
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04523	4.2
67.05495	6.1
68.05028	5.8
68.98229	2.3
69.05368	2.1
70.06598	5.5
70.99867	3.1
71.49618	3.0
72.99594	3.4
73.01418	2.8
82.99844	13.6
84.04523	3.7
84.08171	17.6
85.01458	2.1
87.96758	2.4
91.70271	2.4
95.04948	2.9
96.05333	2.5
96.08163	2.3
97.01393	7.8
97.02889	3.3
101.00887	90.4
102.05550	3.0
103.00626	9.8
105.00352	2.8
113.00881	37.2
113.07150	3.0
115.02433	22.4
116.04221	3.1
117.03993	4.3
119.01929	88.9
121.01680	9.6
126.98775	4.7
127.02413	4.0
128.07082	3.4
129.03979	7.2
129.10265	7.4
130.05031	2.9
130.08618	4.4
131.01923	42.1
133.03467	36.4
133.06116	3.9
135.03227	9.5
135.05034	4.3
137.00822	4.4
137.02968	10.3
143.01900	25.3
145.03479	14.4
147.05032	5.1
147.07603	2.5
147.11296	3.6
149.02937	5.7
151.04524	3.9
153.04108	3.7
155.01915	24.3
157.03485	9.7
158.99614	5.6
159.01389	4.4
159.05048	14.4
161.01682	3.3
161.02960	22.8
162.07555	4.6
163.08023	2.5
168.99852	24.9
171.01349	13.4
171.05057	19.7
171.08496	3.7
173.01436	3.9
173.02979	31.7
173.06624	4.1
175.04565	4.9
177.00710	12.6
177.02438	4.3
177.06071	3.4
183.01425	4.6
185.02968	5.3
187.00882	43.7
188.09216	7.2
189.02466	20.5
189.06067	6.8
189.09511	8.2
191.02264	7.8
191.04025	19.4
191.40524	2.3
196.99316	20.4
200.43407	2.5
201.00864	4.7
201.02487	28.6
201.06076	4.7
203.04008	9.3
205.02045	11.0
213.02434	3.6
213.06090	3.5
215.00395	56.0
217.01961	4.6
219.01764	23.5
219.03535	27.0
221.05087	24.4
228.99916	3.8
229.01955	40.4
231.03455	12.3
233.01427	5.0
233.05087	22.7
237.02753	11.0
243.07152	4.9
245.05087	3.1
247.03023	100.0
249.04495	6.5
261.05164	3.4
261.08188	28.0
265.04004	10.4
269.81122	2.3
279.03729	10.3
279.06128	4.5
279.09210	38.9
289.04108	13.8
303.12695	4.6
321.06613	19.6
321.10303	24.8
321.13788	41.1
321.17645	7.3
322.05310	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2269
Annotation	Ichthyouleolide
Peak:m/z	Relative Intensity
55.01865	1.9
55.05507	12.2
55.46310	1.7
57.07067	2.1
67.05508	29.0
68.63966	1.8
69.03426	5.3
69.07070	9.4
69.23336	17.9
71.04975	3.9
72.08154	2.8
75.43530	2.0
79.05495	31.5
81.07061	100.0
83.04967	3.1
83.08628	3.7
85.06544	2.7
91.05484	17.6
93.06488	3.4
93.07053	50.0
93.47979	1.7
94.37915	2.2
95.04984	15.8
95.08616	79.1
97.06556	11.3
97.07066	1.8
97.10160	4.5
98.25922	2.3
99.04472	2.3
103.05380	1.7
104.43570	1.8
105.07042	30.8
107.04948	2.7
107.08604	45.0
109.06527	9.1
109.10166	17.9
111.08075	8.0
117.07021	3.7
119.08597	31.8
121.06526	9.1
121.10141	26.6
123.08070	14.6
123.11706	6.2
125.09625	4.6
129.06989	2.6
131.08623	10.4
131.09445	2.0
133.10136	20.4
135.08075	13.1
135.11703	46.5
137.09641	5.0
137.13266	5.0
141.09102	4.9
143.08588	7.1
145.10129	22.4
147.08051	3.2
147.11688	9.5
149.09621	5.9
149.13286	5.2
151.07545	9.3
151.11223	5.2
157.10133	6.4
159.11681	14.6
161.09622	4.2
161.13275	12.6
163.11214	8.0
163.14832	30.6
169.10109	2.9
171.11708	7.2
171.67439	1.8
173.13266	9.5
175.11215	4.3
175.14774	2.1
177.12688	2.9
179.14339	3.3
185.09596	2.2
185.13274	5.5
187.14832	7.2
189.12730	2.1
189.16376	3.5
191.14349	8.7
193.15886	3.3
197.13333	3.0
199.14822	5.9
201.12688	2.5
201.16364	4.1
203.14262	3.2
203.17964	2.5
205.15845	6.2
207.13831	2.7
213.16447	3.7
219.13815	4.3
221.15387	5.3
225.16003	1.9
227.17844	3.9
231.10275	2.1
233.15320	4.1
255.21088	10.0
265.19275	2.5
273.22247	3.8
283.20605	6.3
290.54553	1.9
301.18304	1.9
301.21616	50.6
319.19156	4.7
319.22711	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	321.067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91663	0.9
70.79353	1.2
70.79680	0.9
70.99860	1.2
77.00906	0.9
81.24670	0.8
82.99829	3.9
84.08148	2.0
94.93008	0.9
94.99808	1.8
101.00890	22.6
113.00877	16.3
115.02430	5.0
119.01933	15.8
125.00826	0.8
127.02445	1.7
130.08582	1.0
131.01918	24.3
131.02858	1.6
133.03487	12.1
137.02982	0.8
141.00374	0.8
143.01900	9.0
145.03479	3.9
149.02939	2.3
151.59384	0.7
155.01904	29.1
157.03464	4.0
159.01424	2.2
159.05074	2.0
161.02934	5.9
167.01860	1.5
168.99861	1.7
171.05043	2.2
173.02977	33.3
175.04547	9.4
177.02455	3.5
183.01381	5.4
185.02983	7.6
187.00920	2.5
189.06192	1.0
191.04007	2.2
195.01488	1.2
196.99342	1.3
201.02464	85.7
202.02663	1.8
203.04066	5.4
213.02472	23.9
215.00439	3.1
217.05672	1.0
219.03537	100.0
220.03693	1.9
221.05087	7.6
229.01941	2.1
231.01387	1.6
231.03522	18.5
233.05069	1.3
237.04620	1.9
239.06158	4.5
242.05022	1.5
243.03452	1.1
247.03024	6.1
249.04585	11.3
251.91718	1.0
261.04602	3.7
261.08142	5.0
273.04724	1.9
277.07706	1.4
279.06357	1.1
279.09247	5.5
289.04120	1.6
303.05649	1.2
321.06851	12.9
321.10706	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	319.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	11.8
55.01868	18.1
55.05522	48.9
56.90215	7.9
57.03442	25.0
65.83550	8.7
66.17770	9.6
67.05223	9.4
67.05515	92.4
69.03438	8.8
69.07066	33.3
69.31834	20.2
69.32257	58.2
70.06598	59.4
71.04997	16.2
72.08134	49.7
75.62499	9.5
79.05496	79.2
81.03422	24.7
81.07063	100.0
83.04978	31.2
83.08624	13.3
84.08135	34.9
85.02921	12.8
85.06538	17.3
86.09711	35.3
87.10036	11.5
91.05486	56.8
93.07053	83.1
95.04971	34.5
95.06095	19.9
95.08070	8.4
95.08609	59.6
97.02851	10.6
97.06520	37.7
99.08013	9.4
103.05476	8.5
105.07043	55.5
107.04943	53.3
107.08611	70.5
107.32985	9.0
108.50294	9.2
109.06486	26.3
109.10167	34.0
111.04453	19.7
111.08097	17.7
112.11230	11.1
115.08737	11.3
116.07094	15.6
117.07023	25.4
119.08601	51.4
119.93025	8.2
120.08102	32.9
121.06544	12.7
121.10166	55.1
123.08053	13.0
125.09653	10.2
129.07005	17.9
129.10207	11.9
130.06593	15.4
131.06894	14.1
131.08554	24.1
132.08092	27.4
133.08426	20.2
133.10139	31.1
135.08055	17.3
135.11707	48.6
136.07570	8.8
137.09653	16.9
138.47171	10.5
139.03873	15.7
144.08083	16.3
145.06500	17.3
145.08408	25.9
145.10100	69.1
147.04497	13.3
147.11658	16.8
149.09622	20.8
151.07619	9.7
151.11159	11.4
155.08585	20.3
157.10112	16.2
159.09207	38.8
159.11754	11.1
160.09596	46.8
163.11182	65.9
170.05992	11.1
171.06381	20.4
173.09612	28.5
173.13252	8.9
176.96939	13.3
181.12300	16.4
191.10620	32.8
209.11658	15.2
227.12785	17.0
255.11343	9.4
265.14389	37.3
283.15460	76.7
301.11807	37.2
301.16180	46.7
301.21725	11.9
302.15802	34.4
319.06973	20.6
319.12811	20.0
319.19275	14.2
319.22711	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	318.2027
Annotation	Leu-Val-Ser
Peak:m/z	Relative Intensity
52.39208	0.7
55.05516	5.5
56.05045	1.5
57.05811	0.9
57.73619	0.8
58.81231	0.8
60.04530	24.9
62.83380	0.8
62.83749	0.7
68.04977	0.8
69.07057	1.0
70.02937	2.6
70.03337	1.7
70.03728	3.3
70.06592	3.3
72.08160	75.9
84.04527	1.1
84.08170	4.8
84.08604	1.2
86.09711	41.5
87.04487	1.0
87.05596	15.4
94.06616	0.9
96.08130	2.9
98.09721	1.1
107.04923	1.1
110.09654	1.5
112.11237	1.0
114.09182	16.5
118.08646	2.5
118.97150	1.1
120.08100	1.4
128.10712	2.5
129.10263	2.4
132.10222	7.5
145.02814	1.2
159.11299	100.0
173.12889	32.5
177.05450	1.7
187.10800	28.1
187.14337	1.0
201.12355	8.9
205.11855	1.6
219.13382	3.1
231.17026	3.0
244.85838	1.0
249.87424	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.3003
Annotation	4-Hydroxysphinganine
Peak:m/z	Relative Intensity
55.05505	3.6
56.05042	13.4
56.17453	0.7
57.03445	1.0
57.07074	5.2
58.06599	3.4
60.04529	100.0
67.05507	3.2
69.07067	3.4
69.42862	0.8
70.06579	1.3
70.58185	2.2
71.05004	0.9
71.08621	4.2
71.46732	0.7
71.72759	0.7
72.04494	0.9
74.06079	6.2
79.05489	1.4
81.07058	2.6
82.06599	1.2
83.04980	0.7
83.08635	3.3
85.10183	0.8
86.06062	2.1
88.07634	14.0
90.05546	1.8
93.07048	1.9
95.08597	4.0
97.10167	1.8
100.07603	0.8
102.09108	0.9
107.08683	0.8
109.10173	1.1
111.72598	0.7
114.33384	0.7
118.08678	2.1
118.25417	0.8
121.10135	1.4
122.08148	1.7
191.82921	1.0
243.66238	0.7
249.33534	0.8
252.26895	1.8
254.28531	1.6
256.26270	1.5
264.26825	2.0
270.27957	14.9
282.27933	15.4
300.28976	18.6
318.30048	74.9
319.30273	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90297	0.9
52.30295	1.0
55.01860	1.1
58.99853	1.3
68.05016	1.1
70.06585	3.0
70.99866	5.7
72.08146	1.0
72.85502	1.0
72.99595	1.1
73.01443	1.1
82.99821	8.1
84.04520	1.5
84.08125	3.0
86.09704	2.0
89.00928	1.3
91.02457	1.5
95.04992	1.0
101.00888	38.8
105.42985	1.1
110.07169	2.1
113.00864	3.6
115.02448	10.3
115.03983	0.9
119.01925	28.4
128.14879	0.9
129.03961	1.1
129.10234	1.7
131.00983	1.0
131.01917	4.3
132.01906	1.1
133.01750	2.2
133.03477	38.2
137.02957	2.3
138.98776	1.3
139.95422	0.9
143.01884	4.5
145.03485	3.5
145.04810	0.9
147.01398	1.5
147.03244	2.3
149.02975	3.3
149.04784	2.0
151.02661	1.7
151.04610	5.0
155.01955	1.2
156.99815	10.1
161.02977	6.0
163.04539	1.1
167.05750	1.1
170.08354	1.1
171.01381	13.6
173.02946	4.6
175.00883	44.5
175.02446	2.4
177.00655	2.7
188.09145	2.0
189.02460	23.3
191.04016	3.0
193.01961	5.7
193.03593	1.9
199.00880	14.1
201.02496	1.8
203.03922	1.5
215.03963	2.0
217.01947	100.0
218.02095	2.1
219.03673	2.1
227.00356	1.2
231.01865	1.6
231.03514	7.3
233.03442	1.4
235.02980	40.2
240.03465	1.9
245.01447	3.7
249.04625	2.0
251.04533	2.4
259.00659	1.6
259.03299	16.4
277.04181	34.9
291.03937	1.2
295.05017	2.4
319.05103	2.4
319.10211	2.0
320.13342	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	318.1818
Annotation	Ile Trp
Peak:m/z	Relative Intensity
55.05515	0.9
56.05038	1.0
57.05815	0.7
58.06590	1.0
59.13351	0.4
60.04518	0.4
62.77791	0.4
65.23398	0.4
67.05504	1.2
68.05034	0.4
69.03451	0.7
69.07077	15.4
70.06604	2.6
70.17458	0.8
70.17861	1.4
71.04983	0.5
72.08169	4.0
74.00648	0.6
78.52060	0.4
79.05489	0.7
81.03418	0.5
81.07059	1.3
84.04520	1.1
84.08145	3.5
86.09714	100.0
87.10047	1.8
88.04017	0.7
91.05493	1.2
93.07047	1.3
95.06091	0.9
95.08598	0.6
97.06556	0.7
98.81899	0.4
102.05589	0.5
103.05464	0.6
105.07026	0.7
107.08622	1.0
109.06507	0.5
110.07163	1.1
111.11761	2.1
113.10802	0.7
114.40213	0.4
115.02193	0.6
117.03403	1.5
117.06997	0.6
118.06539	4.0
119.04981	0.6
119.08682	0.5
120.08115	2.5
121.10184	0.5
123.11698	0.4
124.07628	0.4
129.10272	1.8
130.06552	2.2
132.08116	2.0
135.11728	1.7
141.10231	2.8
142.06595	0.5
143.07401	0.7
144.08089	4.8
145.02869	3.3
146.06024	20.7
149.06003	0.7
157.13435	0.8
158.13759	0.7
159.09212	4.0
161.02711	0.6
170.06055	1.8
171.11577	0.4
177.05496	5.7
179.10730	0.5
185.10110	0.5
188.07083	45.7
190.05049	0.8
205.09746	36.2
228.14252	0.5
259.11371	0.5
272.17715	1.0
274.14819	1.6
300.13040	0.6
318.13785	3.4
318.18222	7.3
319.04449	0.7
339.11191	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1816
Annotation	Trp Leu
Peak:m/z	Relative Intensity
51.12709	0.6
55.01863	0.9
55.05523	0.8
55.52383	0.5
57.07068	0.9
57.09294	0.6
60.68211	0.5
67.05495	1.0
67.15076	0.5
69.07054	1.3
70.06580	1.6
70.62352	0.5
71.47426	0.5
71.49698	0.6
72.08154	2.2
74.02448	6.2
84.08140	2.0
86.09709	15.0
91.05480	1.0
105.07056	0.9
112.07617	0.7
113.10798	1.0
115.05459	3.8
117.05777	3.0
117.07010	1.6
118.06567	1.6
120.08122	3.9
120.63929	0.6
129.10254	0.7
130.06543	26.0
130.08635	2.3
132.08102	57.1
141.10265	1.9
142.06529	9.3
143.07309	1.7
144.08093	46.9
158.08412	0.9
159.09189	100.0
159.79356	0.6
160.07616	5.3
160.08992	0.7
160.09505	0.9
170.06032	19.8
172.07608	1.0
177.10266	1.0
182.89323	0.5
187.08618	0.7
188.07146	1.1
198.03613	0.6
200.14438	0.7
255.14998	1.2
259.14453	1.2
259.90204	0.6
272.17538	1.1
273.15991	3.0
288.72076	0.6
289.81332	0.6
298.29099	0.6
301.15491	50.1
318.18353	3.3
318.29883	0.7
332.11530	0.7
338.79120	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1815
Annotation	H-ILE-TRP-OH
Peak:m/z	Relative Intensity
55.05511	1.8
57.03437	1.2
68.05032	0.9
68.14201	0.8
69.03414	1.5
69.07058	2.9
70.06599	4.2
70.84637	1.7
71.04981	1.1
72.08160	5.3
74.02438	2.7
76.02278	0.8
81.04546	1.0
81.07076	1.4
83.04954	1.0
84.04500	1.6
84.08135	3.8
85.02897	2.0
86.09711	100.0
87.10021	1.1
88.07544	0.9
91.05476	1.4
95.06100	9.1
97.02883	1.7
98.06052	0.9
102.53230	0.9
103.05460	0.9
110.06149	0.8
115.05421	1.4
117.03406	1.3
117.05770	1.4
117.07043	1.0
118.06534	7.9
120.08108	4.1
129.10226	2.2
130.06540	15.3
132.08104	26.5
141.10205	5.9
142.06519	6.2
143.07245	1.5
144.07114	0.9
144.08086	24.6
145.02831	4.6
146.06013	28.7
149.05940	1.1
151.91693	0.9
153.01721	0.8
159.09189	47.0
160.07573	2.6
165.06302	0.9
170.06020	13.0
177.05463	7.5
188.07076	68.4
190.05063	2.1
196.64734	0.9
205.09740	52.2
246.05205	1.1
272.17651	1.6
273.15933	3.0
287.05511	9.2
288.05768	4.2
300.17087	1.5
301.15488	19.3
318.06821	3.0
318.14520	1.3
318.18164	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78498	0.8
52.66283	0.8
55.05500	2.6
56.05032	1.8
56.96547	1.0
61.02902	1.1
67.05495	3.6
68.05024	3.3
69.03426	1.7
69.07056	2.7
70.06599	5.0
70.44195	1.5
72.07760	1.3
72.08161	24.2
75.05608	1.4
76.03995	1.0
79.05487	1.4
81.03420	1.1
82.06592	8.9
83.06061	1.2
84.04053	1.2
84.04510	14.6
84.08150	5.3
85.02915	7.1
85.04863	1.1
85.08479	1.4
86.09714	84.1
87.10027	2.6
88.03963	1.7
91.05462	3.0
93.07052	14.9
97.02858	1.5
99.05618	0.8
101.00838	1.0
102.05547	5.0
103.05501	1.3
110.06046	2.0
110.07166	1.7
110.09696	18.3
120.08118	38.0
121.08438	1.2
126.44730	1.0
127.03901	2.0
129.10222	1.3
130.04977	2.5
132.10204	1.5
133.03514	0.9
138.05513	3.8
138.09155	44.3
141.06607	1.2
143.01941	1.5
143.10760	1.5
143.11813	22.1
145.03445	5.0
145.04991	1.6
148.06055	12.5
151.06036	1.1
156.06583	2.5
156.10214	100.0
157.13394	7.2
159.07666	2.0
161.02953	1.1
162.03156	1.3
163.04497	3.6
171.11282	5.1
185.12895	2.7
185.16516	14.1
187.07237	1.3
197.12936	6.6
197.14662	1.2
201.12383	2.7
202.08673	1.1
204.08713	0.9
205.00316	1.0
205.08282	1.5
206.00620	0.8
206.06639	7.9
213.15985	4.8
215.13872	2.4
219.13356	1.0
222.59547	1.1
224.07726	8.8
225.12425	2.4
229.07022	0.9
229.11810	1.0
242.08736	13.0
243.13469	1.0
272.07663	1.4
274.09280	2.8
290.08670	0.9
292.10318	1.2
300.07263	3.3
318.08176	9.7
318.11813	1.7
318.15262	1.4
336.09348	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	317.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.9
55.05512	26.0
57.07080	11.9
59.04998	2.2
60.04532	45.3
61.04858	5.6
61.99491	1.6
65.03931	3.0
67.05509	36.9
69.07071	20.1
70.06605	11.6
70.10767	6.1
71.04990	3.7
71.06941	2.3
71.08620	6.0
73.06563	2.1
79.05497	26.1
81.03409	3.3
81.07063	69.7
82.07386	2.8
83.08623	11.2
85.06548	4.9
88.07649	17.9
89.06017	1.9
89.07973	2.5
91.05487	24.4
93.07050	85.7
95.04984	4.9
95.06094	4.4
95.08614	72.3
96.43129	1.8
97.06517	3.4
97.10186	13.9
99.08053	1.9
99.48022	2.1
102.09165	3.8
105.07047	32.7
106.08665	7.4
107.08595	69.2
109.06528	5.3
109.10170	39.5
112.08714	2.9
113.05985	4.3
117.07036	5.3
119.08596	35.2
121.06481	3.2
121.10158	64.3
123.08071	5.0
123.11733	13.0
127.07583	1.9
129.06958	3.1
131.08575	13.6
133.10130	25.9
135.08096	2.7
135.11710	36.0
136.93106	3.1
137.09602	4.7
143.08607	2.7
145.10132	16.1
147.11700	22.1
149.13272	78.4
151.07568	3.0
153.05690	1.9
154.94206	4.1
155.10568	2.8
157.10117	5.4
159.11697	21.6
161.09618	2.7
161.13278	15.5
163.11157	3.0
163.14842	19.8
171.11646	5.0
172.95259	5.9
173.13269	20.1
175.11211	3.6
175.14847	11.8
177.16415	4.1
183.11794	2.6
185.13292	2.4
187.14824	19.3
189.12903	3.4
189.16432	4.5
191.17953	6.6
193.53163	2.0
199.33507	2.0
201.16402	7.2
203.17947	8.1
227.18005	6.7
229.16013	2.0
229.19557	47.8
233.15276	2.1
241.58150	1.9
247.17001	4.6
257.22690	30.1
261.18631	3.0
267.21103	3.9
281.26740	5.7
283.58957	1.8
285.22177	14.2
299.27881	4.7
299.31387	5.1
316.99316	3.0
317.12372	2.0
317.17899	2.3
317.21146	7.2
317.24750	34.7
317.28815	15.9
317.32437	100.0
318.30005	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	317.2477
Annotation	Cannabigerol
Peak:m/z	Relative Intensity
53.03935	1.8
55.01855	1.7
55.05513	16.9
57.03436	0.9
57.07083	6.9
60.43628	0.5
65.03947	1.3
67.05509	19.5
69.03428	3.1
69.07070	27.6
69.49918	3.5
71.04994	2.3
71.08610	1.2
77.03908	0.9
79.05025	0.5
79.05495	18.0
81.07059	23.5
83.04991	1.1
83.08630	9.1
85.06538	1.4
85.10184	0.9
91.05484	22.8
93.07046	27.3
95.04984	3.3
95.06104	1.0
95.08609	15.2
97.06528	2.4
97.10184	2.7
98.20818	0.6
101.09655	0.6
103.05497	1.4
105.07037	43.5
107.04945	0.9
107.08598	23.3
109.06529	8.6
109.10162	6.7
111.08084	1.1
112.74866	0.5
117.07024	5.3
119.08589	37.8
121.06509	23.4
121.10141	8.7
123.08070	3.6
123.11723	2.5
129.07016	1.3
130.07788	0.8
131.08585	9.3
133.06529	1.1
133.10138	19.0
135.08061	18.9
135.11707	8.0
137.09653	0.8
137.13240	1.3
143.08575	1.7
145.10123	10.4
146.10843	0.7
147.08066	1.6
147.11707	11.2
149.09622	3.5
149.13286	3.5
151.11154	1.5
157.10138	1.7
159.11690	6.6
161.09607	2.7
161.13269	14.0
163.11191	13.1
163.14803	1.9
165.12767	4.6
171.11687	1.1
173.13263	2.9
175.11211	1.2
175.14835	7.0
177.12755	17.5
177.16301	0.6
179.14291	0.8
183.11705	0.8
187.14801	2.4
189.12761	1.1
189.16362	4.4
191.14290	2.9
191.18004	1.1
201.16389	1.6
203.17976	0.7
205.15909	1.8
213.16336	0.7
215.17998	1.3
219.17375	1.2
229.43645	0.6
233.18912	1.0
242.20189	0.6
257.19125	0.7
261.18536	1.9
261.25778	1.0
271.24344	2.6
275.20166	3.1
281.22873	1.0
289.25272	18.3
299.23792	4.1
317.24768	100.0
318.25082	1.7
318.29831	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2114
Annotation	15-deoxy-delta-12,14-PGJ2
Peak:m/z	Relative Intensity
53.03952	2.1
55.01866	5.4
55.05513	15.9
56.05029	2.4
57.07074	11.4
59.04992	6.8
60.04273	2.8
60.04532	33.9
61.04846	3.7
65.03941	2.6
65.17881	1.8
67.05509	67.6
69.03416	8.5
69.07059	6.7
69.84601	4.2
69.84995	5.5
70.06586	7.8
71.04964	2.7
77.03899	1.8
79.05504	14.4
80.69947	1.8
81.07061	35.2
83.04968	5.4
83.08625	6.4
85.02908	2.6
85.06547	4.4
88.07629	9.9
91.05476	16.9
93.07056	23.9
95.04464	2.5
95.04983	28.3
95.08612	29.6
97.06544	9.2
98.20833	2.5
99.20868	2.0
102.09181	5.2
103.05448	2.4
105.07043	20.0
107.04944	2.2
107.08602	51.9
108.05725	1.8
109.06519	22.5
109.10162	100.0
111.08079	2.9
117.07034	6.9
119.08589	71.6
121.06509	7.8
121.10150	11.0
122.07328	2.7
123.08070	30.6
123.11684	2.4
125.06011	3.1
125.09638	2.5
131.08597	9.6
133.06471	3.9
133.10135	10.8
135.08060	15.2
135.11670	4.9
137.06023	2.9
137.09627	81.6
142.07751	2.5
143.08531	5.5
145.10139	10.9
147.08067	8.7
147.11705	5.2
149.09596	7.4
151.07552	79.7
153.05499	5.4
156.09367	3.5
157.10100	5.8
159.08076	5.7
159.11702	6.3
161.09621	11.7
163.11256	3.6
165.09114	7.7
167.07060	5.4
168.09288	1.9
169.10132	3.8
171.11708	8.2
173.09653	4.6
173.13266	4.6
175.11232	3.0
177.09053	3.6
181.08609	5.5
181.12199	3.1
182.10791	1.8
183.11708	4.7
185.13179	3.3
187.11121	3.3
187.14781	2.2
189.12772	31.3
191.10643	3.4
191.14253	2.3
192.11523	2.7
197.13257	5.1
199.11186	4.7
201.12718	2.1
203.14381	3.7
207.13818	27.7
209.15416	1.9
214.99181	2.2
215.14291	4.2
219.13725	2.8
221.15425	6.5
225.12758	2.5
233.15453	4.7
237.14816	10.4
241.15897	2.2
243.13824	11.6
256.26324	20.0
261.14893	7.6
281.19128	3.6
281.26697	4.3
299.20142	13.1
299.27716	4.0
306.80270	2.2
317.21127	85.4
317.28775	11.7
318.30045	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2114
Annotation	15-deoxy-delta-12,14-PGJ2
Peak:m/z	Relative Intensity
54.64626	1.9
55.01867	4.3
55.05502	14.5
56.05016	2.6
57.03440	2.7
57.07079	15.2
58.22026	2.1
59.04993	6.2
60.04528	39.5
61.04836	6.4
61.05138	2.3
65.03930	3.8
67.05510	67.8
69.03416	5.5
69.07058	8.6
69.62936	7.0
69.63369	8.2
70.06584	9.2
71.04966	2.8
71.08582	2.4
74.53988	2.1
79.05491	16.1
81.07059	34.1
83.04986	4.4
83.08609	10.0
85.06544	6.1
88.07634	15.8
91.05490	23.2
93.07041	29.6
95.04968	31.0
95.08613	26.9
97.06521	9.7
102.09177	8.3
105.07047	23.2
107.08605	50.5
109.06529	22.8
109.10161	100.0
109.76897	2.3
111.08096	4.3
115.05438	2.4
117.07005	8.2
119.08592	70.8
121.06486	8.8
121.10134	10.0
123.08079	30.1
124.92830	2.2
125.06021	3.1
128.06181	2.3
129.06995	5.1
131.08546	7.1
133.06480	5.3
133.10109	11.3
135.08064	13.0
137.05974	3.2
137.09624	81.2
138.09964	2.4
139.07570	4.0
143.08609	5.5
145.10094	10.3
147.08049	6.1
147.11684	8.8
149.09608	9.1
151.07545	79.7
153.05479	6.5
153.09184	2.2
155.08540	4.3
155.10721	2.3
156.09413	3.5
157.10156	6.5
157.67821	2.8
159.08037	5.0
159.11752	10.8
161.09619	12.9
163.11169	7.3
165.09093	7.1
167.07072	3.2
168.32068	2.5
171.11696	7.8
173.13332	3.5
175.11101	2.7
177.09201	3.7
177.12791	3.0
181.08609	7.6
181.12335	2.6
183.11845	3.7
185.13239	4.3
189.12744	35.7
191.10652	2.2
191.14207	4.2
195.11609	2.9
197.13271	4.2
199.14539	2.4
201.12756	3.3
203.14273	2.4
207.13817	33.2
215.14304	5.6
221.15349	5.6
233.15457	4.4
237.14882	7.1
239.17747	3.1
243.13799	9.4
253.19534	2.3
256.26346	28.9
261.14841	4.3
263.17920	2.4
269.75201	2.1
281.26752	4.2
299.19980	15.0
299.27811	5.8
300.19418	2.4
300.28815	2.9
310.40933	2.2
311.79587	2.5
317.21127	98.3
317.28711	15.4
318.30060	55.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	5.2
53.00310	9.7
53.03945	10.1
55.01868	14.8
55.05518	53.2
56.05015	5.4
57.03439	13.5
59.04995	8.3
67.05504	39.6
69.03425	12.2
69.07058	17.3
70.06604	32.8
71.01329	7.9
71.04974	10.9
71.50025	6.6
72.08170	38.5
73.02905	6.7
79.05498	36.7
81.03411	23.5
81.07066	52.5
83.04977	15.8
83.08646	38.8
84.04521	11.4
84.08163	56.3
84.82836	6.3
85.02899	6.2
85.06516	8.9
86.09712	30.5
91.05493	78.0
93.07059	55.4
95.04973	24.1
95.06092	11.1
95.08604	24.9
97.02899	16.9
97.06527	18.7
98.06069	7.5
98.97554	7.7
99.00825	58.4
99.04454	10.0
105.07050	60.1
107.04955	24.7
107.08623	30.3
108.25363	5.2
109.02883	38.2
109.06490	17.4
109.10162	20.4
110.07142	18.3
111.04478	9.8
111.08094	10.0
112.08724	10.8
115.03930	9.9
115.08699	6.7
117.07025	17.6
119.08604	31.2
120.08105	11.0
121.06513	23.1
121.10124	9.5
123.04409	7.2
123.08080	8.6
129.07007	8.1
129.10243	15.1
131.08530	9.4
133.06541	7.2
133.10138	100.0
135.08072	8.1
136.07643	8.3
137.05963	7.0
137.09607	13.3
143.08586	18.7
145.10126	13.3
147.07986	8.7
149.09613	8.0
151.11165	31.8
159.09151	7.6
159.11734	8.6
161.09631	59.3
163.07475	5.4
165.09129	6.0
171.08023	10.6
175.07570	6.1
179.10689	36.9
189.09134	40.3
197.09608	7.4
197.11705	14.5
197.13271	5.8
207.10164	18.3
214.09596	6.0
221.15562	5.6
225.11281	63.2
236.08020	20.3
243.12285	11.8
271.20520	7.2
299.11377	15.9
299.14841	82.8
299.20102	13.7
302.04254	11.9
317.06580	34.3
317.10535	9.2
317.15582	33.4
317.21484	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	28.3
69.03436	20.0
70.06591	30.6
71.48831	16.5
72.08152	32.9
73.02907	10.1
84.04498	10.3
84.08152	99.0
85.02913	20.1
86.09707	63.3
96.04488	11.9
98.02390	9.9
101.00909	79.5
101.06613	9.1
103.02438	10.1
103.24821	10.0
104.85583	8.9
107.70945	10.8
113.00903	31.7
113.02373	8.3
115.02475	14.7
119.01935	100.0
126.98711	10.0
129.10248	55.1
130.08678	14.0
131.01927	71.1
132.10260	12.3
133.01634	10.0
133.03484	35.6
137.03001	10.3
141.06570	11.1
143.01921	38.8
143.11790	14.1
144.99844	31.7
145.03471	76.3
146.99608	17.5
147.03191	14.4
147.07744	9.3
149.02942	17.2
155.01927	37.2
157.01701	10.9
157.03499	25.9
158.09207	11.2
159.01422	14.9
159.05035	12.4
161.02982	35.1
168.99812	21.5
169.03552	9.5
171.01556	9.1
171.11356	10.0
172.99345	23.2
173.02977	50.9
175.04623	11.4
185.02945	25.1
186.08777	15.7
187.00919	11.0
187.04546	16.4
189.02490	24.1
191.04039	20.4
197.03065	10.2
201.02522	12.1
207.01723	11.0
207.03563	14.7
213.02498	34.1
215.07712	23.6
219.03612	16.8
221.05075	14.8
227.00294	11.4
227.04071	15.8
229.03851	11.1
231.03534	76.0
239.00421	29.2
245.05139	16.7
249.04614	11.0
257.01511	32.7
266.42435	10.0
266.99973	17.8
273.04727	11.0
285.00903	23.6
287.05463	16.1
299.02637	15.7
301.39529	11.1
317.06976	22.6
317.11295	33.9
317.21967	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	317.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.2
55.01868	0.3
55.05507	0.4
62.69079	0.2
65.03933	0.9
67.05494	0.8
67.30659	0.2
68.99796	0.6
69.03412	0.3
69.07056	0.5
70.06596	0.9
71.50517	0.3
72.08161	1.4
79.05489	0.6
81.03412	0.4
81.07057	0.8
83.04993	0.4
84.04488	0.3
84.08146	1.2
85.06538	0.2
86.09719	0.5
87.33016	0.2
91.05484	0.7
92.02634	3.2
93.03416	2.7
93.07047	0.9
94.04185	0.2
95.04974	0.4
95.08604	1.0
97.06553	0.5
98.06038	0.2
99.04487	0.2
103.05459	0.2
105.03401	0.3
105.07045	1.0
106.29797	0.2
107.08585	0.7
109.02885	0.3
109.06501	0.4
109.10160	0.5
110.07150	0.6
111.00774	0.3
111.04458	0.3
112.11279	0.3
117.06969	0.3
119.08571	0.6
120.08140	0.3
121.02875	2.3
121.06461	0.3
121.10155	0.4
123.04446	0.3
123.08081	0.3
126.03146	1.1
129.06961	0.3
129.10243	0.3
131.04900	0.2
131.08609	0.3
133.10136	0.7
135.04362	0.2
135.08070	0.2
137.02362	0.5
139.03932	1.4
143.08595	0.3
145.06506	0.3
145.10100	0.4
147.11720	0.4
149.02286	0.3
149.05989	0.2
151.03931	1.5
151.07512	0.2
151.11230	0.2
153.01837	16.9
155.04926	0.3
159.11736	0.2
161.09593	0.2
161.13287	0.2
163.03879	0.3
165.01843	1.3
165.05420	0.2
165.98270	0.2
166.02626	0.3
170.02008	0.2
171.11652	0.2
173.06017	0.5
173.13188	0.2
175.11243	0.2
177.05478	0.6
179.03363	0.3
183.02861	0.5
183.04375	0.4
185.01576	0.2
187.03894	0.4
189.05428	0.3
190.02638	0.2
190.06287	0.3
200.04672	0.9
201.05501	2.3
203.03423	1.8
204.04010	0.3
217.04993	3.0
218.05775	1.1
219.02911	0.7
222.56815	0.2
225.10381	0.4
225.12740	0.2
226.08667	0.4
228.04210	3.8
229.04965	7.2
231.02875	1.2
233.04413	0.2
239.03337	0.3
244.09773	0.3
245.04478	3.8
246.05264	3.3
253.09830	0.4
255.11359	0.2
256.03677	0.5
257.04449	3.8
260.03210	0.7
261.07578	0.4
271.05936	0.4
271.10849	0.2
273.03961	3.7
273.12344	0.3
274.04730	7.2
281.09348	1.0
284.03189	0.8
285.03955	8.1
286.04694	0.3
299.10300	1.8
299.20193	0.3
301.03491	0.5
302.04236	22.8
303.04456	0.3
317.06580	100.0
318.07013	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	317.0658
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
53.03951	0.2
55.01868	0.3
55.05507	0.4
62.69079	0.2
65.03933	0.9
67.05494	0.8
67.30659	0.2
68.99796	0.6
69.03412	0.3
69.07056	0.5
70.06596	0.9
71.50517	0.3
72.08161	1.4
79.05489	0.6
81.03412	0.4
81.07057	0.8
83.04993	0.4
84.04488	0.3
84.08146	1.2
85.06538	0.2
86.09719	0.5
87.33016	0.2
91.05484	0.7
92.02634	3.2
93.03416	2.7
93.07047	0.9
94.04185	0.2
95.04974	0.4
95.08604	1.0
97.06553	0.5
98.06038	0.2
99.04487	0.2
103.05459	0.2
105.03401	0.3
105.07045	1.0
106.29797	0.2
107.08585	0.7
109.02885	0.3
109.06501	0.4
109.10160	0.5
110.07150	0.6
111.00774	0.3
111.04458	0.3
112.11279	0.3
117.06969	0.3
119.08571	0.6
120.08140	0.3
121.02875	2.3
121.06461	0.3
121.10155	0.4
123.04446	0.3
123.08081	0.3
126.03146	1.1
129.06961	0.3
129.10243	0.3
131.04900	0.2
131.08609	0.3
133.10136	0.7
135.04362	0.2
135.08070	0.2
137.02362	0.5
139.03932	1.4
143.08595	0.3
145.06506	0.3
145.10100	0.4
147.11720	0.4
149.02286	0.3
149.05989	0.2
151.03931	1.5
151.07512	0.2
151.11230	0.2
153.01837	16.9
155.04926	0.3
159.11736	0.2
161.09593	0.2
161.13287	0.2
163.03879	0.3
165.01843	1.3
165.05420	0.2
165.98270	0.2
166.02626	0.3
170.02008	0.2
171.11652	0.2
173.06017	0.5
173.13188	0.2
175.11243	0.2
177.05478	0.6
179.03363	0.3
183.02861	0.5
183.04375	0.4
185.01576	0.2
187.03894	0.4
189.05428	0.3
190.02638	0.2
190.06287	0.3
200.04672	0.9
201.05501	2.3
203.03423	1.8
204.04010	0.3
217.04993	3.0
218.05775	1.1
219.02911	0.7
222.56815	0.2
225.10381	0.4
225.12740	0.2
226.08667	0.4
228.04210	3.8
229.04965	7.2
231.02875	1.2
233.04413	0.2
239.03337	0.3
244.09773	0.3
245.04478	3.8
246.05264	3.3
253.09830	0.4
255.11359	0.2
256.03677	0.5
257.04449	3.8
260.03210	0.7
261.07578	0.4
271.05936	0.4
271.10849	0.2
273.03961	3.7
273.12344	0.3
274.04730	7.2
281.09348	1.0
284.03189	0.8
285.03955	8.1
286.04694	0.3
299.10300	1.8
299.20193	0.3
301.03491	0.5
302.04236	22.8
303.04456	0.3
317.06580	100.0
318.07013	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	316.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
53.60003	0.2
53.85920	0.2
55.01870	0.5
55.05514	5.1
56.05043	4.0
57.03443	0.8
57.07079	1.4
57.41851	0.2
58.02963	0.4
58.06601	0.3
58.81203	0.2
59.46614	0.2
60.04528	100.0
65.03933	0.4
67.05506	7.6
68.05037	0.7
69.03442	0.3
69.07073	4.4
69.48596	1.0
69.49005	0.4
70.06602	0.8
71.05009	0.5
71.08644	0.6
72.04523	2.1
73.02919	0.4
74.06090	2.2
79.05495	3.9
80.05032	0.9
81.03412	0.4
81.07059	7.1
82.06572	1.2
83.04992	0.4
83.08620	3.2
84.08134	0.5
85.10188	0.7
86.06076	0.7
90.05544	1.3
91.05486	2.5
93.07044	2.9
94.06583	1.0
95.04964	0.6
95.08607	7.0
96.08106	0.4
97.06540	0.6
97.10180	1.6
98.06036	0.3
98.21505	0.3
100.07597	0.3
102.05512	0.3
105.07045	1.3
107.08601	1.5
108.08142	0.6
109.10152	2.8
111.11741	0.6
116.07118	0.5
119.08583	1.2
120.06608	0.2
121.10146	1.8
122.09647	0.5
123.08047	0.4
123.11747	1.1
133.10164	1.1
135.11731	0.9
137.13255	0.5
147.11693	0.4
149.13245	0.3
219.21054	0.4
221.22723	0.3
233.22627	0.5
245.22687	0.4
250.25276	1.1
251.23758	0.5
262.25256	1.5
263.23798	0.5
268.26398	1.0
280.26361	12.8
298.27426	12.6
299.27765	0.3
316.28464	34.5
317.28787	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.285
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
53.41844	0.4
55.01884	0.6
55.05519	4.7
56.05040	4.7
57.07080	1.9
60.04532	100.0
65.03955	0.7
67.05514	9.5
68.05049	0.4
69.07076	6.1
69.48613	2.5
70.06609	0.9
71.08644	0.6
72.04520	2.0
74.06093	2.3
79.05499	4.2
80.05025	1.4
81.07059	8.5
82.06603	1.6
83.08630	3.8
86.06078	0.5
90.05568	1.7
91.05511	2.7
91.05997	0.5
93.07053	4.0
94.06596	1.0
95.04996	0.6
95.08623	7.7
96.08166	0.9
97.06509	0.6
97.10185	1.8
98.06094	0.8
100.07669	0.5
105.07064	1.8
107.08575	1.9
109.10173	2.9
110.90054	0.4
111.11758	0.5
112.07665	0.5
119.08610	1.7
121.10205	1.8
122.09706	0.9
123.08114	0.5
123.11714	0.8
133.10143	1.0
135.11713	0.9
137.09674	0.5
147.11716	0.6
173.89505	0.4
233.22736	0.4
250.25375	1.5
262.25333	1.6
263.23901	0.5
268.26422	1.1
270.48471	0.4
280.26385	13.0
280.29349	0.8
298.27432	12.1
307.81131	0.5
316.28506	29.7
317.21042	0.4
317.28864	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.4
56.26007	0.3
57.07058	0.3
67.05523	1.7
68.05035	2.3
69.06796	0.3
69.07079	2.9
69.50834	0.3
70.06598	11.3
70.95246	0.5
71.04998	0.3
74.02431	0.6
80.05019	0.3
81.07061	4.2
83.08595	0.4
91.05487	3.1
93.06477	0.4
93.07026	2.5
94.06555	0.5
95.08064	0.4
95.08620	5.1
96.08147	1.3
100.07629	5.9
103.05489	0.3
105.07039	20.4
107.08607	3.4
108.08133	2.0
109.10152	1.6
114.05541	2.7
114.09191	0.5
116.07093	0.7
117.07031	1.7
119.08590	13.2
120.08054	0.5
121.10173	1.5
122.09662	2.1
123.11700	0.6
126.09069	0.3
128.06175	0.3
128.07086	6.7
129.06993	0.4
130.07776	0.6
131.08589	4.2
132.08167	0.4
133.10147	8.2
134.09650	0.4
134.10825	0.3
135.11746	0.5
137.13249	0.4
140.07101	0.6
140.10666	0.4
142.08652	5.1
143.08607	0.4
144.09352	0.4
145.10138	7.4
145.11301	0.4
147.11699	4.5
148.11227	1.0
151.06372	0.5
154.08662	3.9
157.10100	0.8
159.11705	4.9
160.11240	0.6
160.12471	0.7
161.13254	0.8
164.07065	0.5
168.10214	18.2
171.11703	0.9
173.13310	1.8
175.13306	0.6
175.14838	11.8
175.83118	0.3
178.08652	3.6
180.10236	0.8
182.11795	0.6
187.14914	0.4
188.14333	0.8
192.10223	0.5
193.11037	0.7
194.11772	1.8
200.14320	0.5
201.16397	6.5
202.15877	2.0
203.17975	1.2
214.15996	0.5
216.17708	0.3
230.11699	0.4
232.13383	1.2
233.14072	1.0
234.14890	0.7
237.63470	0.3
242.18898	0.5
244.13203	0.4
246.14909	0.9
247.15700	2.0
256.20517	1.5
260.16544	2.4
261.17123	0.5
272.16489	0.6
273.17294	0.4
286.18030	8.3
301.20352	3.3
316.22736	100.0
317.23151	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	316.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.8
56.31415	0.5
67.05493	2.4
68.05025	2.3
68.36687	0.5
69.07067	3.3
69.34845	0.5
70.06599	12.4
71.05014	0.6
81.07056	4.2
83.08610	1.1
91.05485	3.2
93.07034	3.3
94.06573	0.7
95.08617	5.6
96.08128	0.9
97.10066	0.5
100.07631	4.2
105.07041	19.5
107.08615	4.2
108.08128	1.5
109.10178	1.9
110.22838	0.5
114.05537	2.7
114.09168	0.5
116.07111	0.7
117.07018	2.3
119.08590	12.5
121.10129	1.9
122.09686	2.3
123.10468	0.8
123.11740	0.7
128.07091	6.8
131.08591	3.3
133.10139	8.3
134.09676	0.6
135.11676	0.7
137.13287	0.6
140.10771	1.0
142.08646	4.9
145.10149	9.8
147.11688	4.9
148.11177	0.8
154.08661	3.3
159.11708	5.0
160.11188	0.5
160.12494	1.1
161.13339	0.8
168.10220	18.4
171.11702	0.7
173.13240	2.4
175.14861	11.5
178.08629	3.5
180.10181	0.5
182.11803	0.6
187.14919	0.8
188.14330	0.8
192.10161	0.9
193.11026	0.6
194.11813	1.7
200.14243	0.9
201.16405	5.7
202.15941	2.2
203.17970	1.6
214.15988	0.6
228.17450	0.6
232.13335	1.2
234.14912	0.9
246.15060	0.6
247.15646	0.7
256.20660	1.4
260.16455	2.5
273.17111	0.5
286.17993	9.0
301.20392	3.3
316.22745	100.0
317.23166	1.8
326.94980	0.5
331.27136	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.4
59.38763	0.4
67.05499	1.9
67.41343	0.4
68.05045	2.1
68.05348	0.6
69.07075	3.1
70.06264	0.7
70.06605	10.2
71.04977	0.5
81.07058	4.8
91.05494	3.2
93.07075	3.4
95.08617	6.9
96.08115	1.6
100.07632	6.2
105.07044	19.2
106.07392	0.4
107.08615	3.4
108.08125	2.0
109.10168	2.3
114.05550	2.6
114.09193	0.5
116.07118	0.7
117.07016	2.0
119.08591	10.6
120.08125	0.8
121.10146	2.0
122.09658	1.9
123.11719	0.6
127.15198	0.4
128.06235	0.8
128.07095	7.2
130.07831	0.6
131.08562	4.5
133.10139	9.0
136.06172	1.0
137.13210	0.6
140.07083	0.9
140.10706	0.6
142.08636	5.1
143.08578	0.6
144.09328	0.5
145.10141	8.5
146.09647	0.4
147.11717	3.9
148.11201	0.7
154.08624	2.9
157.10175	0.7
159.11688	4.7
160.12433	1.3
161.13310	0.8
168.10223	17.1
171.11667	0.8
173.13278	2.6
175.14839	11.8
178.08591	3.1
180.10196	0.8
182.11746	1.0
187.14862	0.9
192.10101	0.6
194.11798	1.2
201.16434	7.1
202.15979	2.9
203.18018	1.8
206.11732	0.6
214.15811	0.6
218.11940	0.5
232.13249	0.7
233.14130	0.8
234.14986	1.1
246.14989	1.0
247.15759	1.7
256.20694	0.9
260.16470	1.5
270.22198	0.5
272.16412	0.5
273.17520	0.6
286.18042	9.7
301.20319	4.2
316.22754	100.0
317.23050	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	316.2235
Annotation	Ile Ile Ala
Peak:m/z	Relative Intensity
55.05510	1.0
57.05814	0.4
58.06608	0.3
60.04526	0.8
69.07077	5.3
70.06594	2.9
71.10199	0.7
72.08167	9.9
84.04523	0.5
84.08150	1.0
86.09715	100.0
87.05608	0.7
87.10046	0.4
106.43100	0.3
116.07104	4.3
128.10733	0.6
137.06026	0.3
138.06413	0.3
154.08716	0.7
171.14970	3.0
173.12839	2.3
199.14461	1.9
199.18080	24.7
200.18524	0.6
201.12576	0.4
203.13939	7.0
217.15578	0.4
227.17577	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	316.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59061	0.3
55.01889	0.3
55.05517	1.6
56.05033	1.7
57.03429	0.6
58.06606	0.8
60.04528	0.8
63.65308	0.3
67.05502	0.5
68.05032	0.6
69.07072	2.2
69.47208	0.3
70.02949	0.7
70.06601	7.7
70.24740	0.3
71.05003	0.4
71.49505	0.5
72.08161	8.3
73.08508	0.4
74.06080	1.0
79.05508	0.4
80.46800	0.3
81.07053	0.6
82.06604	0.4
83.06107	0.5
84.04517	4.0
84.08149	14.5
85.02922	0.4
85.06519	0.3
85.08487	0.5
86.09711	100.0
87.04498	0.3
87.10043	1.5
88.03987	0.7
90.05543	0.4
91.05466	0.7
93.07038	0.4
95.06097	0.8
97.02920	1.1
97.06549	0.7
98.06055	0.6
98.97584	0.4
99.08092	0.7
101.10816	0.5
102.05553	1.0
102.09196	1.3
103.05470	0.7
107.04987	0.4
110.07156	1.5
112.07590	0.4
112.08758	1.1
112.11250	0.8
114.05533	0.4
114.09224	0.3
115.08705	0.6
116.07124	1.0
116.98653	0.4
120.06638	0.4
120.08108	4.8
122.70775	0.3
123.04430	0.8
123.11763	0.3
128.10730	0.3
129.10257	7.5
130.04985	0.8
130.06548	0.8
130.08641	0.9
131.03407	0.4
133.10135	0.4
136.06198	1.6
137.06018	0.4
138.06424	0.3
141.10281	0.3
151.11198	0.5
156.07729	0.5
163.03902	0.4
170.06021	0.5
172.07613	0.4
173.12892	0.5
177.05566	0.5
177.09155	0.4
184.07422	0.3
185.16499	0.5
195.10182	0.6
199.18071	28.2
200.07071	0.4
203.13908	6.3
203.15637	0.4
211.10873	0.9
219.06836	0.3
227.17560	10.6
228.06566	0.4
282.11389	1.0
292.38388	0.3
293.09015	0.6
298.09152	0.9
298.14261	1.7
299.10101	0.3
300.11102	0.5
301.12173	0.3
316.10593	0.5
316.14923	1.2
316.21631	0.4
317.21869	0.4
329.64435	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72058	0.7
55.05510	3.9
56.05033	1.9
59.47438	0.7
60.04530	12.5
67.05495	0.8
69.03409	1.5
69.07077	5.6
70.06598	62.9
71.49474	1.2
72.08161	44.8
79.05485	0.8
81.07063	1.1
82.06577	0.9
83.06081	1.0
84.04516	8.5
84.08147	9.9
85.02901	1.4
86.09713	100.0
87.04466	5.3
87.05596	7.1
87.10033	1.4
88.03950	1.2
94.06599	0.8
96.08128	0.8
97.02924	1.4
98.06074	1.0
102.05523	1.5
110.07152	1.2
112.08719	1.9
112.11164	1.1
116.07103	84.8
120.08112	1.2
128.10732	4.2
129.10248	6.1
130.04984	1.8
130.06546	1.8
132.10233	2.0
136.07600	1.3
138.09145	1.0
146.06050	1.2
151.07516	0.8
154.08646	2.9
157.09711	2.4
171.14948	11.5
173.12878	41.6
175.09618	1.1
185.09160	2.1
188.07068	1.4
199.14456	5.4
199.18082	12.8
201.12407	8.2
203.13947	3.0
210.40488	0.8
227.17567	4.1
229.15459	2.0
261.94846	0.9
270.11740	2.2
287.05508	2.4
298.16495	1.2
316.12091	2.2
316.15298	1.7
316.18491	1.6
317.12143	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	316.2234
Annotation	Ala Ile Ile
Peak:m/z	Relative Intensity
53.03943	0.3
55.05509	0.7
56.05040	0.6
57.03429	0.4
58.06585	0.3
62.12420	0.2
69.07072	5.7
70.06598	3.0
70.17756	0.8
71.05000	0.3
72.08147	2.6
79.05486	0.3
81.07073	0.3
84.04500	1.0
84.08149	1.4
86.09711	100.0
87.10028	0.6
89.07144	0.7
91.05492	0.3
93.07055	0.3
95.06094	0.7
96.08092	0.3
98.20841	0.3
107.04983	0.9
108.05308	0.4
110.07153	0.4
112.08726	0.4
112.11261	0.5
113.03539	0.4
114.09148	0.8
120.08212	0.3
123.02936	0.3
123.04472	0.3
129.10214	0.7
130.06540	1.0
132.10225	4.7
133.32130	0.3
138.06529	0.3
157.07648	1.2
157.13374	50.5
158.13795	0.4
164.47417	0.3
185.12869	17.9
203.13936	2.8
211.10741	0.4
245.18582	1.3
259.78342	0.3
285.13885	0.3
298.14304	0.5
316.15640	0.4
316.17953	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1752
Annotation	Armepavine
Peak:m/z	Relative Intensity
63.43977	0.6
68.34577	0.6
68.94807	0.6
70.10813	0.5
70.79852	0.8
70.80202	1.2
72.77888	0.5
79.05496	1.6
91.05486	2.1
93.07040	0.7
103.05480	0.8
105.04543	0.5
105.07017	1.9
107.04962	90.7
117.07016	1.6
119.04960	1.3
121.06525	6.9
128.06206	0.6
131.04936	1.4
133.06517	2.4
136.05232	1.3
139.07474	0.6
145.06506	10.1
146.07297	1.6
147.08090	0.6
151.07559	9.1
155.06015	1.1
158.07245	4.1
159.04449	1.0
161.06009	0.6
163.07532	2.2
165.09155	2.4
173.37929	0.6
174.06740	7.4
176.08299	1.2
177.09120	2.5
189.09129	17.0
189.10767	1.2
192.10234	1.0
194.11835	1.1
195.07994	0.6
196.08768	0.9
206.11766	1.6
209.09512	0.7
211.11163	1.6
221.09712	0.8
222.10057	0.5
224.08348	1.0
225.09163	1.1
237.09123	4.2
239.10796	1.7
240.11534	1.4
241.08775	0.6
251.10686	1.3
252.11462	8.5
253.08618	2.0
255.10265	1.1
256.11014	1.3
268.10944	7.9
271.13211	4.4
283.13315	32.7
285.14914	0.9
297.14853	0.6
314.17520	100.0
315.17926	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	313.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	11.6
57.03438	22.7
57.07081	68.9
66.28159	1.1
67.05186	1.6
67.05512	15.4
69.07072	14.4
69.30193	4.2
69.30627	6.0
71.04984	1.5
71.08636	48.3
75.04488	1.3
79.05522	1.5
81.06601	1.2
81.07063	20.4
82.02723	1.1
83.08625	14.0
85.10181	26.6
89.06024	4.7
95.08615	26.2
97.10173	7.5
98.20724	2.0
103.07605	2.7
107.08617	1.3
109.10163	13.0
117.87509	1.2
123.11697	5.1
137.13260	3.1
169.25769	1.2
239.23686	5.1
257.24838	7.1
313.12686	3.1
313.27374	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1387
Annotation	N-Feruloyltyramine
Peak:m/z	Relative Intensity
51.02384	0.3
53.03951	2.3
55.01881	0.5
63.02379	0.4
67.05508	0.6
68.05041	0.3
69.07059	0.3
70.06591	1.3
71.04991	0.3
71.39296	0.6
72.08157	0.7
77.03934	0.7
79.05483	0.9
79.89841	0.3
81.03452	0.3
81.07055	1.0
84.08147	0.8
86.06074	0.5
89.03920	5.8
91.05482	8.7
93.07047	11.4
95.04977	2.7
96.08155	0.5
97.06579	0.3
98.06075	0.4
100.07619	0.5
101.36954	0.3
102.10902	0.3
103.05474	9.7
105.04511	0.9
105.07016	0.5
106.04146	0.5
106.27477	0.3
107.04949	1.3
112.99047	0.3
117.03388	22.9
117.57334	0.3
119.04943	1.0
121.06512	54.7
122.06812	0.5
130.00581	1.3
131.04964	0.3
132.77513	0.3
134.03627	1.4
135.04454	0.7
136.05293	0.3
136.06204	1.2
142.72620	0.3
145.02853	52.6
145.10110	0.6
147.04456	1.5
149.05991	5.4
149.89146	0.3
151.07538	0.5
163.03941	0.7
171.11633	0.5
177.05476	100.0
178.05841	0.9
186.05499	1.1
189.09135	0.4
194.08157	1.1
194.11778	0.6
198.11241	1.6
205.00356	0.4
216.12331	1.0
255.16086	0.6
282.62881	0.4
283.92282	4.2
298.65085	0.3
314.13904	24.6
314.17416	1.7
315.14233	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	8.7
57.03446	21.2
57.07082	64.4
67.05519	12.0
69.07075	12.4
70.63154	2.4
71.04962	0.9
71.08641	42.2
75.04493	1.0
79.05487	1.5
81.07064	17.8
83.04977	0.9
83.08626	14.6
85.06569	1.0
85.10189	23.5
89.06036	4.3
93.07053	2.0
95.08621	25.0
97.06525	1.0
97.10178	5.6
99.11711	1.8
103.07599	2.5
107.08611	1.2
109.10163	11.9
111.11740	1.3
113.48973	0.8
121.12463	0.7
123.11713	5.6
124.86106	0.7
125.09651	0.9
135.11742	0.7
137.13264	2.4
164.88474	0.7
194.03040	0.7
215.66554	0.8
239.23724	4.8
257.24820	9.0
313.27399	100.0
314.27951	1.4
318.96756	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55291	0.8
51.56904	0.9
55.05522	6.9
57.03447	21.9
57.07081	61.6
64.98076	0.9
67.05514	11.8
67.59852	0.8
69.07072	11.1
71.08244	2.0
71.08637	39.2
71.51524	1.6
72.81545	0.9
76.71430	0.8
79.05507	1.2
79.70300	1.0
81.07068	19.2
83.08630	14.1
85.10193	21.1
89.06031	3.8
91.05456	1.1
93.07060	2.2
93.61010	0.9
95.08070	1.6
95.08620	23.2
97.10177	5.7
99.11752	2.6
103.07571	2.5
109.10165	10.9
111.08104	1.0
111.11758	1.5
111.70812	0.9
117.09149	1.1
121.10156	1.1
123.11707	5.4
137.13235	1.9
144.24573	0.8
149.13214	1.2
177.12537	0.9
203.14615	0.8
216.66173	0.8
228.09386	0.9
239.23802	4.9
240.81409	0.9
243.89771	0.9
244.28847	0.9
257.24759	7.1
274.38202	0.8
313.27396	100.0
314.17520	1.2
314.27737	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	313.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.8
55.05517	11.3
56.18006	1.6
57.07061	3.2
67.05513	24.6
69.03387	3.4
69.07070	18.2
69.80501	9.5
79.05499	12.6
81.03381	2.6
81.07067	50.0
82.07378	1.6
83.08587	5.2
91.05469	17.1
93.07049	29.1
94.07349	1.7
95.04969	17.9
95.08614	47.3
96.08911	1.8
97.06487	6.7
97.10138	5.2
98.20805	1.9
105.06415	2.3
105.07031	30.2
106.07301	1.8
107.08601	35.7
109.06473	7.4
109.10159	31.5
111.08024	1.8
117.06953	5.9
119.07825	2.5
119.08588	30.1
120.08916	2.9
121.06462	5.2
121.10158	24.7
123.08018	6.1
123.10978	1.5
123.11722	16.6
129.06953	5.0
131.08572	15.1
133.10133	24.0
135.08034	3.6
135.10880	1.4
135.11688	13.6
137.13222	4.0
138.55843	1.8
141.06998	2.0
142.07800	2.3
143.08534	10.4
144.09294	2.8
145.09079	2.0
145.10127	23.2
147.07983	5.3
147.11699	16.5
149.09564	4.3
149.13289	14.7
151.11095	2.3
155.08514	4.3
156.09326	3.1
157.10144	15.4
159.07968	1.7
159.11702	21.8
161.09541	5.5
161.13235	16.1
163.11095	4.6
163.14851	12.0
169.10063	5.6
170.10870	2.2
171.11684	13.3
173.09471	2.2
173.13274	13.1
175.11079	4.7
175.14847	8.8
177.12694	2.3
177.16270	3.2
183.11697	7.6
184.12424	2.2
185.13242	8.3
187.14798	10.9
189.12704	5.4
189.16414	9.5
191.14125	2.2
197.13188	6.8
199.14871	9.1
201.12666	4.0
201.16286	7.2
203.14218	4.0
203.17882	3.9
211.14738	6.3
213.16302	7.4
215.14275	1.7
215.17940	6.0
216.18216	3.1
217.15810	2.7
217.19403	5.8
225.16281	6.4
227.17859	5.1
229.15724	2.3
229.19360	2.4
231.21066	2.7
239.17979	8.3
241.19301	2.4
243.17372	2.2
252.18648	1.8
253.19389	3.3
255.20921	6.1
257.18835	2.6
267.21008	2.8
269.22479	6.8
271.23929	2.8
272.24503	4.0
285.25540	5.0
295.21219	2.2
295.24237	29.9
313.25079	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2375
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
51.23165	6.2
55.01878	31.7
55.05515	61.4
57.03457	9.3
57.07056	8.8
60.04529	8.5
60.10701	6.5
62.72879	6.4
67.05514	100.0
67.05854	13.4
69.07079	61.4
69.31050	60.2
71.04992	7.5
71.08644	8.4
79.03210	6.3
79.05498	51.6
81.03407	13.7
81.07066	81.2
83.04979	20.1
83.08624	47.3
85.06575	6.5
91.05477	37.8
93.07039	63.4
95.04945	15.7
95.08612	68.6
97.06534	18.7
97.10184	30.9
97.47858	5.7
101.50948	7.6
105.07018	26.5
107.08604	53.6
109.06561	12.3
109.10177	56.1
119.08590	33.9
121.06512	7.0
121.10142	33.4
121.51032	6.8
123.08076	22.0
123.11716	13.7
125.09641	29.2
131.08530	10.8
133.10129	23.1
135.11693	26.9
137.09613	19.5
139.11157	35.9
143.08594	7.8
145.10046	8.6
147.11674	11.7
149.13249	9.6
151.11121	11.8
153.12738	9.5
157.10114	14.5
159.11699	8.3
161.13222	17.8
173.11761	15.3
173.13182	15.5
179.14201	8.5
181.12225	11.1
185.13338	11.1
189.11266	17.7
198.44586	6.6
199.14958	7.1
231.21260	9.5
249.22108	27.1
251.37964	7.3
259.20615	9.6
262.86661	6.7
277.21680	59.7
295.22610	44.1
313.17825	60.9
313.21481	13.6
313.25211	18.4
314.17941	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2375
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
55.05513	16.7
57.03426	4.9
57.07074	11.0
65.11061	3.5
67.05514	23.2
67.25484	3.8
69.03398	3.8
69.07079	18.5
69.38409	25.4
70.18611	3.5
71.08641	19.4
71.08971	3.0
75.20664	3.1
78.91424	3.4
79.05476	14.8
81.03427	9.5
81.07064	25.4
83.04976	4.9
83.08620	7.5
83.30680	3.4
85.02943	3.7
91.05470	12.4
92.49545	4.4
93.07037	22.1
95.04964	11.3
95.08616	25.3
97.06530	5.1
97.10181	6.2
99.08096	8.2
105.07031	16.8
107.08628	9.4
109.06540	5.1
109.10154	11.7
111.04446	3.8
117.07063	4.7
119.08572	14.6
121.10163	16.9
122.02563	3.8
131.08586	6.4
133.02499	3.7
133.10162	10.6
135.11678	7.4
137.09485	5.0
145.10136	8.6
151.11214	12.0
157.10100	6.6
169.10167	4.8
172.58459	3.4
172.95337	3.5
179.14360	4.2
277.21606	38.2
295.22754	100.0
313.18292	5.0
313.21741	9.4
313.27359	13.6
326.26550	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	313.2376
Annotation	(7S,8S)-DiHODE
Peak:m/z	Relative Intensity
53.03933	3.6
55.01876	12.6
55.05515	27.2
57.03423	4.3
57.07076	5.0
60.99611	1.0
62.10662	0.9
62.68479	1.0
64.08724	0.9
65.03929	2.0
67.05510	46.7
69.03423	2.5
69.07073	100.0
70.07403	1.2
71.05002	7.8
71.08636	3.3
71.50671	1.2
71.51091	1.0
72.08123	1.3
73.06557	10.6
79.05501	38.2
81.03398	3.3
81.07063	71.2
83.04996	6.7
83.08160	1.4
83.08625	19.9
85.06546	11.9
91.05478	23.3
93.07051	43.9
95.04971	7.0
95.08614	41.0
97.06543	22.5
97.10178	6.0
99.04485	1.0
99.08105	15.2
105.04527	1.5
105.07030	22.0
105.74179	1.1
107.04911	1.3
107.08608	25.9
109.06515	4.5
109.10169	13.1
111.08109	8.7
113.09654	2.2
115.07590	14.9
117.07040	3.6
119.08588	22.7
121.06509	1.5
121.10159	28.9
123.08043	5.9
123.11719	8.4
125.05965	1.5
125.09645	20.8
129.06996	3.5
129.09122	9.8
131.08586	7.5
133.10129	16.0
135.08052	3.1
135.11702	25.4
137.09641	2.3
137.13248	1.7
139.11192	2.2
143.08559	5.2
145.10149	8.5
147.08054	1.6
147.10533	1.5
147.11691	24.8
149.09595	3.5
149.13293	9.7
150.97476	1.1
151.11194	3.2
151.14833	1.1
157.10130	3.6
159.08012	1.3
159.11700	7.2
161.09618	1.2
161.13239	9.5
163.11201	3.0
163.14830	4.2
165.12787	6.1
166.85399	1.0
171.11716	10.4
173.13235	3.9
175.14864	2.6
177.12820	1.7
179.14314	4.6
181.12216	2.5
185.13194	3.8
189.11217	2.3
189.12788	4.1
193.15923	2.0
194.93095	1.1
195.13867	2.1
199.14809	2.8
207.13802	3.1
209.15215	1.2
235.17125	1.8
241.19598	6.1
259.20624	11.6
277.21628	35.2
295.17401	1.2
295.22729	31.5
297.64795	1.5
313.18158	1.7
313.21103	1.6
313.24066	2.4
313.27280	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	313.2373
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
50.72592	4.2
53.03958	6.8
55.01867	28.0
55.05512	71.7
57.03430	13.9
57.07072	29.5
64.94666	5.4
67.05177	8.3
67.05506	100.0
69.03423	7.9
69.07071	74.1
69.19774	52.3
71.04988	15.9
71.08630	23.9
72.08141	4.8
79.05495	53.6
80.94423	5.2
81.03408	11.7
81.07057	86.9
83.04973	12.0
83.08625	33.2
85.06530	6.6
85.10191	18.1
91.05459	30.4
93.07049	65.7
95.04968	15.9
95.08611	75.1
97.06533	14.2
97.10181	37.6
98.20730	12.5
98.35679	4.5
99.08090	11.3
105.07034	33.2
107.08601	47.4
109.06510	10.7
109.10149	48.1
111.08072	9.7
113.09663	6.8
117.07032	12.0
119.08567	27.0
121.10109	25.7
123.08071	20.1
123.11698	9.0
125.09630	31.0
129.06993	5.9
131.08589	12.5
133.10130	17.9
135.08159	5.2
135.11685	24.7
136.30904	4.2
137.09628	15.0
139.11185	48.6
141.12727	10.8
143.08519	11.3
145.10115	12.8
146.94373	5.2
147.11644	17.1
149.09599	8.4
149.13283	11.8
149.37457	5.4
151.07603	10.8
151.11209	13.6
153.12801	6.2
157.10068	9.5
159.11731	10.5
161.13229	15.0
165.12796	6.8
167.14354	7.8
169.12294	5.1
171.11627	11.5
173.11780	8.0
173.13298	8.4
175.11052	5.5
175.14891	7.5
185.11823	5.5
187.11154	4.7
189.11195	16.2
193.15952	5.1
199.14893	7.2
221.15244	4.8
231.21037	6.2
241.19640	5.3
249.22133	14.1
259.20615	9.5
262.26465	7.5
277.21655	86.8
295.19867	5.3
295.22729	71.8
298.13589	15.5
299.14575	4.9
313.15930	21.4
313.21597	21.5
313.27441	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2375
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.03931	8.3
55.01876	25.7
55.05516	57.6
57.03437	6.6
57.07064	9.6
62.49637	3.9
67.05183	7.2
67.05511	100.0
69.03436	12.1
69.07076	56.2
70.84545	4.7
70.84878	10.6
71.04991	10.0
71.08618	8.0
79.05514	38.5
81.03410	13.6
81.07066	89.3
83.04957	16.3
83.08619	27.0
85.06551	7.8
85.41367	4.0
91.05486	34.4
93.07049	72.3
95.04974	13.6
95.08617	64.0
97.06519	13.8
97.10167	30.0
99.08133	4.7
105.07057	34.9
107.08607	41.2
109.06513	10.0
109.10180	64.9
111.04444	4.9
111.08059	8.9
117.07036	9.0
119.08591	33.4
121.06476	8.5
121.10152	34.5
123.08047	24.6
123.11671	17.3
125.09666	22.1
129.06981	5.1
131.08565	17.7
133.10083	24.2
135.11716	28.9
137.09627	12.7
139.11215	26.7
145.10120	14.9
147.11659	19.3
149.09624	6.6
149.13255	13.2
151.11218	12.0
155.10649	5.2
157.10118	11.8
159.11688	14.7
161.13283	12.6
165.12791	7.6
171.11650	14.4
173.11745	26.8
173.13145	8.1
175.11143	6.9
175.14775	7.2
185.13266	10.7
187.14717	6.2
189.11198	9.0
199.14868	7.2
207.14006	5.4
215.17915	5.9
227.18031	5.0
227.28009	5.0
231.21111	5.2
238.00067	4.4
239.17938	6.3
249.22179	21.0
255.21181	6.0
257.18851	5.5
258.94287	4.8
259.20572	10.6
277.21671	73.5
295.22504	41.0
296.14117	4.9
313.21527	12.3
313.25238	46.5
314.15112	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	312.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73366	0.3
58.64238	0.3
60.04530	1.8
65.96591	0.3
70.06620	0.3
70.85079	0.9
78.55638	0.2
107.24155	0.3
150.97421	0.3
165.07036	0.7
178.07721	1.4
179.08592	3.8
189.07083	1.3
190.07755	2.7
191.08560	5.8
192.09378	0.4
193.06525	0.4
193.10152	0.8
194.07350	0.9
194.11035	0.4
202.07864	0.9
203.08556	3.6
204.09323	1.1
205.06453	1.0
205.10133	2.4
206.07297	1.3
207.08070	7.7
208.08781	1.8
209.09599	4.8
215.08728	0.7
217.06386	1.7
218.07301	4.7
219.08070	9.5
220.08836	1.0
221.06042	3.5
221.09584	5.9
222.06815	1.5
222.10335	1.5
231.08058	0.6
232.08965	0.4
233.09608	4.7
234.06998	0.4
234.10414	27.6
235.07556	31.4
235.11261	0.8
236.08324	5.6
237.09117	8.8
249.09102	2.5
250.09906	42.8
251.06943	0.5
251.07588	0.4
251.10675	11.9
252.11470	16.2
253.12193	0.7
263.10654	0.6
263.13129	0.9
265.12253	100.0
266.09409	0.8
266.12625	1.6
281.11768	1.1
294.14688	0.6
312.15903	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	312.1597
Annotation	Thebaine
Peak:m/z	Relative Intensity
53.49631	0.5
58.06601	0.6
60.04497	0.8
68.16763	0.5
69.45817	0.5
70.06580	2.4
70.33023	2.3
72.08160	3.0
78.15575	0.5
84.04506	0.6
84.08124	2.2
86.09694	1.3
91.05461	0.7
91.36551	0.5
102.34244	0.6
107.04958	0.7
110.07166	1.1
112.11237	1.0
117.06962	0.5
120.08081	0.7
121.06487	1.0
128.82980	0.5
129.10272	0.9
131.04959	0.6
133.47314	0.5
137.05946	0.6
145.02849	0.8
146.07295	1.7
147.04501	0.6
160.07590	3.0
162.06746	1.9
165.06981	1.3
165.09142	1.4
166.07799	1.5
167.08557	1.1
174.09187	6.4
175.09958	6.1
176.07082	0.9
177.09135	10.9
181.06554	0.9
181.10141	0.6
183.08109	1.4
183.20255	0.6
190.08588	1.6
191.09415	0.5
194.07298	7.8
195.08044	6.0
196.08812	0.7
197.05978	0.6
204.10199	4.9
206.11780	13.7
207.07964	1.1
209.09723	2.5
210.06905	0.7
210.10410	2.4
211.07562	5.2
219.08000	0.6
221.06058	1.1
221.09595	0.7
222.06761	7.4
223.07561	7.9
224.08273	1.0
225.09099	1.4
226.09895	4.3
235.07370	0.7
237.09056	3.5
238.09900	19.6
239.07056	6.2
239.10565	1.5
240.07883	0.7
240.11325	0.6
241.08614	2.6
241.12369	1.4
250.10023	1.4
252.11261	1.8
253.08656	1.5
254.09395	20.5
268.10956	1.9
269.11740	39.3
270.11914	0.7
281.11765	1.5
283.13333	22.8
295.09686	1.1
295.14920	0.7
310.14569	0.5
312.15945	100.0
313.16086	2.5
316.21033	0.5
317.62177	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2581
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03945	1.6
55.01865	2.7
55.05518	65.8
57.03444	28.5
57.06795	1.5
57.07082	30.7
67.05514	10.1
69.07076	68.5
70.68275	2.2
71.05000	1.7
71.08637	16.5
71.71201	0.9
73.02895	2.0
77.09219	1.0
79.05503	6.2
80.39507	0.8
81.07072	13.0
83.04983	1.2
83.08628	57.5
85.10193	7.6
91.05460	1.0
93.07048	7.7
95.08624	9.0
97.06546	4.3
97.10183	40.5
107.08591	5.1
109.10165	3.8
111.08085	3.3
111.11717	11.9
115.07565	1.1
121.10155	8.1
123.11752	1.8
125.09629	1.1
125.13274	2.0
135.11696	5.5
137.13228	1.7
139.11235	1.2
149.13268	2.8
154.46727	1.0
163.14977	1.1
219.21086	2.2
311.25833	100.0
312.26254	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	311.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.8
55.01868	3.3
55.05516	73.3
57.03442	29.1
57.06804	1.4
57.07081	30.2
67.05512	12.2
69.07075	75.9
70.68105	2.0
71.04992	0.8
71.08639	19.4
73.02912	2.6
73.06580	1.0
75.04431	0.9
79.05511	5.4
79.15807	0.7
81.06653	1.2
81.07066	13.4
83.04944	1.5
83.08627	63.8
85.06536	1.1
85.10194	7.1
91.05463	1.3
93.07050	8.3
95.08620	12.2
97.06548	8.5
97.10178	44.3
105.82557	0.8
107.08620	6.0
109.10155	3.6
111.08075	3.4
111.11728	13.1
121.10163	8.4
123.11724	2.4
125.09630	2.4
125.13275	3.2
135.11708	6.3
137.13216	1.2
139.11208	2.2
149.13281	3.7
151.14886	1.3
153.12761	0.9
153.92456	0.8
162.29218	0.9
163.14818	2.8
181.36247	1.0
219.21117	2.4
237.22176	1.1
311.25830	100.0
312.26117	1.7
319.47253	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.237
Annotation	14'-apo-beta-Carotenal
Peak:m/z	Relative Intensity
53.03939	8.0
55.01863	6.7
55.05515	37.3
57.03422	8.2
57.07064	9.5
64.35890	2.4
65.03941	3.4
65.94673	2.4
67.05185	4.1
67.05509	48.2
69.07076	75.8
71.08632	2.8
71.42721	2.8
79.05496	33.1
81.03416	6.1
81.07062	42.7
83.04986	3.7
83.08625	21.6
85.06525	3.9
91.05486	46.2
93.07053	100.0
93.07645	4.9
95.04972	59.3
95.08611	92.5
96.42817	2.5
97.06544	26.6
97.10171	7.3
100.12602	2.8
105.07043	80.8
107.08600	57.5
109.06521	13.5
109.10168	35.5
111.11737	3.2
115.05451	5.6
117.07031	15.2
119.08597	77.8
121.06511	21.0
121.09353	2.9
121.10166	46.1
123.08089	19.0
123.11741	14.5
128.06252	4.2
129.07018	8.3
130.07768	6.7
131.07722	3.0
131.08592	24.9
133.10135	40.4
135.08078	10.9
135.11711	24.1
137.09651	3.8
137.13278	4.8
142.07761	10.1
143.08559	12.6
144.09294	4.8
145.10144	37.8
147.11711	28.7
149.09630	4.3
149.13289	4.6
154.07695	2.4
155.08549	4.1
156.09402	4.8
157.10129	27.6
159.08044	3.0
159.11707	45.5
161.09615	8.5
161.13269	16.6
163.11105	5.4
163.14893	3.2
167.08563	4.1
169.10158	11.2
170.10930	3.6
171.11642	18.5
173.09642	3.5
173.13313	15.1
175.14848	13.5
177.16441	16.9
181.10109	6.1
182.11008	3.3
183.11691	8.8
184.12471	3.1
185.13290	9.5
187.11217	9.1
187.14832	8.4
189.16414	14.9
195.11777	5.1
197.13254	7.4
198.13820	3.8
198.68784	2.4
199.14838	10.3
201.16385	8.6
203.17995	4.9
211.14868	9.4
213.16365	4.7
215.17998	7.7
219.17439	4.3
223.14873	7.2
237.16409	6.6
255.17377	3.0
255.21027	6.2
293.22592	7.7
311.23309	37.2
334.15475	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	311.222
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
54.75410	2.5
55.01858	4.0
55.05521	24.5
57.03426	4.0
57.07083	3.6
67.05513	71.8
69.03432	6.3
69.07085	16.5
70.62488	5.2
71.04984	13.0
71.08635	54.8
71.94305	2.9
79.05502	23.4
81.03411	8.2
81.07063	24.6
83.04992	29.0
83.08605	10.4
85.02896	9.7
85.06532	2.8
85.92312	3.5
91.05492	18.7
93.07042	33.4
95.04955	11.6
95.08613	50.0
96.41863	2.8
97.06533	9.3
97.10154	7.1
99.08098	32.3
105.07040	9.4
107.08602	10.7
109.06508	8.2
109.10174	49.7
109.79933	3.0
111.08062	3.1
117.07023	6.2
119.08615	17.5
119.09354	2.7
121.06561	3.3
121.10136	7.1
125.09692	3.8
127.11179	8.0
131.08557	7.4
133.10139	10.7
137.09624	21.6
139.11192	59.7
145.10170	6.1
149.09680	4.4
149.13292	5.4
151.11195	32.3
155.10667	43.2
159.11691	7.5
161.09654	12.1
173.11823	19.6
173.13118	5.0
177.12743	13.8
179.10645	9.0
191.14304	6.9
195.13866	8.1
196.21906	3.1
210.88834	2.9
247.20648	7.2
257.19028	7.1
271.43207	3.1
275.20093	34.9
293.17850	5.3
293.21133	100.0
311.22308	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	311.2219
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03940	5.2
55.01868	10.2
55.05513	58.2
57.03431	9.2
57.07074	5.9
65.03936	4.5
65.43523	2.3
67.05508	100.0
67.77127	2.3
69.03427	12.1
69.07072	32.8
70.06591	2.6
71.04982	9.2
71.08609	3.9
71.50577	2.9
72.08166	4.9
79.05498	48.5
81.03407	8.4
81.07064	63.6
83.04993	13.9
83.08620	30.8
84.08161	3.8
85.06536	7.9
91.05480	35.3
93.07048	44.4
95.04969	11.7
95.06113	3.6
95.08614	53.0
97.06527	7.8
97.10173	35.5
99.08085	6.0
105.07024	27.2
107.04959	4.4
107.08611	37.4
109.06506	11.3
109.10160	50.9
111.08082	5.9
115.05467	3.7
117.07028	9.5
119.08578	33.7
121.06525	4.5
121.10141	25.2
123.08083	9.4
123.11710	10.0
125.09633	32.0
129.07043	3.4
131.08562	18.5
133.10123	20.9
135.08083	6.4
135.11702	7.4
137.09636	13.8
137.10498	2.8
139.11166	6.2
143.08546	4.8
145.10139	14.7
147.11717	10.6
149.06126	3.2
149.09648	10.3
149.13248	3.9
151.11214	3.2
153.09065	3.5
155.08485	3.6
155.10614	3.4
157.10146	7.4
159.11691	11.8
161.13293	6.6
163.11215	6.7
169.10184	4.2
171.10225	3.1
171.11671	7.1
173.11731	18.8
173.13309	7.1
177.12791	3.7
183.11714	6.8
185.13319	3.3
189.11201	20.2
197.13380	4.1
201.12669	3.8
203.17952	2.9
215.14027	2.8
229.19302	2.7
239.17920	5.0
257.18976	7.9
275.20090	52.1
293.21216	25.5
311.15851	3.3
311.22610	13.0
317.48840	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	311.2219
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.95545	8.1
55.01867	15.2
55.05508	52.8
67.05505	100.0
69.03422	9.3
69.07066	20.9
70.62592	11.4
70.62931	17.9
71.04990	37.6
79.05500	56.2
81.03415	10.7
81.07055	60.6
83.08625	25.2
85.06543	17.9
91.05481	49.3
93.07067	41.0
95.04974	21.9
95.08611	52.3
95.78001	8.6
97.06532	15.6
97.10143	40.8
105.07040	43.2
107.08589	38.3
109.06546	8.5
109.10177	36.8
111.08063	9.7
117.06994	23.5
119.08573	38.2
121.06466	12.2
121.10133	35.7
123.08077	19.5
123.11755	13.9
125.09621	36.9
131.08585	22.0
133.10138	27.6
135.11697	9.7
137.09615	11.0
144.28505	7.9
145.10135	22.1
147.11708	12.3
149.09561	8.8
150.43402	8.4
155.08539	9.1
157.10086	12.5
159.11671	16.7
173.11783	10.8
183.11601	10.2
189.11258	27.8
209.13437	8.5
257.18936	10.1
267.13617	9.0
275.19974	47.2
293.21103	58.6
311.19647	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	311.2218
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03943	6.8
55.01881	28.7
55.05521	53.0
57.03436	7.3
57.07063	4.0
59.05001	3.0
61.14187	2.4
64.51054	2.5
67.05512	48.1
69.03422	9.3
69.07076	25.2
70.57870	5.0
71.04998	11.7
79.05503	62.4
81.03431	6.2
81.06590	4.8
81.07066	85.8
83.04990	35.9
83.08627	35.0
85.02906	10.8
85.06540	5.9
87.03358	3.9
87.04463	4.6
91.05489	37.3
92.38343	3.0
93.07054	41.3
95.04989	17.6
95.08617	45.0
97.06537	37.6
97.10180	28.1
99.08115	4.9
105.04569	3.2
105.07046	39.6
107.08604	100.0
109.06522	9.8
109.10191	20.8
111.04434	8.1
111.08100	12.0
113.06014	10.8
117.07036	10.9
119.08594	30.6
121.06496	3.7
121.10153	22.1
123.08065	8.3
123.11709	6.9
125.06008	9.5
125.09652	77.1
127.28635	2.6
128.06190	2.9
129.07037	6.7
131.08594	19.8
133.10159	17.0
135.08057	12.0
135.11702	16.1
137.09657	4.7
139.11183	6.2
141.07013	3.1
143.08578	9.2
143.97141	2.6
145.10139	22.0
147.08058	4.0
147.11690	15.5
149.09612	13.1
149.13338	4.4
151.11223	5.3
153.09148	3.4
153.12749	11.4
155.08549	4.9
157.10159	21.8
159.11694	15.0
161.13281	8.6
163.11189	13.9
167.10692	3.6
169.10237	5.1
169.20058	3.0
171.11761	7.2
173.09627	3.3
173.13290	10.0
175.11133	4.8
177.12752	7.7
181.10149	3.4
181.12256	7.0
183.11710	7.5
185.13275	9.7
187.11198	3.9
187.14902	4.5
189.11227	31.7
193.12285	4.0
195.11769	3.7
195.13708	3.2
197.13290	4.5
199.14906	4.3
201.12764	4.0
205.12257	8.0
211.14912	5.4
213.14746	6.2
223.13254	16.6
225.16322	3.9
229.19598	7.0
237.16577	3.1
239.18141	5.2
253.19519	5.4
257.19113	7.7
261.87027	3.0
275.20096	63.7
276.20251	3.1
283.24371	4.1
293.20975	43.5
311.20245	8.2
311.23584	28.9
311.27405	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	311.2218
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03947	9.9
54.41597	4.8
55.01875	60.3
55.05275	6.7
55.05518	86.3
57.03430	24.0
57.07078	57.0
67.05181	9.0
67.05511	100.0
69.03432	6.0
69.07070	67.9
69.24562	12.3
69.24973	34.4
71.01339	6.2
71.04978	11.6
71.08630	18.6
79.05492	41.9
81.03413	19.2
81.07061	75.3
83.04968	20.5
83.08634	41.9
85.02893	6.3
85.06535	8.8
85.10175	6.2
91.05495	40.7
93.07058	56.7
95.04949	24.4
95.08611	56.1
97.02889	7.6
97.06527	20.8
97.10171	37.6
99.08077	10.0
105.07022	17.3
107.04962	24.8
107.08613	31.6
109.06521	11.1
109.10177	34.8
111.04456	13.9
111.08080	9.4
117.06998	7.4
119.08592	34.7
121.06512	11.9
121.10162	33.3
123.08076	18.4
123.11696	8.7
125.06005	9.0
125.09650	67.2
129.07019	5.9
131.08563	19.9
133.10127	12.6
135.08063	14.9
135.11676	14.0
137.09653	28.8
139.11180	9.6
141.06932	5.3
145.10094	12.9
149.09688	8.0
149.13229	9.0
151.11209	34.3
153.05495	16.2
153.12720	4.9
155.08606	8.4
155.10704	8.7
157.10136	6.9
159.11708	14.8
163.11217	15.1
163.14876	8.1
167.10667	8.7
169.10103	11.2
173.13351	6.5
177.12720	24.9
181.12271	15.5
183.11772	6.4
191.10812	8.8
191.14290	10.8
194.96419	6.1
195.13843	10.4
209.11732	67.1
211.07103	6.5
237.11259	51.8
247.20688	5.1
255.12213	11.6
257.19000	19.2
267.92032	5.7
275.20023	40.8
293.18530	5.0
293.21277	39.4
311.16983	9.7
311.20056	21.1
311.25833	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
50.88043	1.0
51.32026	0.9
55.01878	2.5
55.05518	13.9
57.03440	1.6
57.07082	6.6
64.89569	1.1
67.05503	9.7
68.05849	1.0
69.03434	2.0
69.07078	6.5
69.17110	3.7
69.17530	5.0
71.04990	0.9
71.08644	10.8
79.05496	8.9
81.03413	1.3
81.07064	10.0
83.05008	2.6
83.08620	8.5
85.06536	1.2
91.05493	4.5
93.07040	5.2
94.07413	0.9
95.04951	2.9
95.08620	6.1
97.06533	1.6
97.10177	11.6
99.08090	6.3
105.07027	3.4
107.04972	2.3
107.08598	6.0
109.06536	2.1
109.10136	1.6
111.04451	4.7
117.07019	1.1
119.08592	1.3
121.06495	4.8
121.10153	2.5
123.08138	1.3
125.05999	1.9
125.09635	6.6
131.08554	1.5
133.10144	2.0
135.08099	1.7
135.11723	1.8
138.06985	1.0
143.08603	1.3
145.10124	1.2
147.86261	0.9
149.09636	1.4
149.13263	1.2
151.11230	1.5
153.05490	2.2
157.10104	2.1
159.11702	1.3
160.72050	1.0
163.11197	1.1
169.10074	1.3
171.10202	0.9
177.12773	2.0
181.12274	1.8
189.11255	3.8
191.10591	1.3
209.11725	14.5
237.11223	12.3
247.20624	1.0
255.12204	2.0
275.20068	6.1
293.21118	100.0
294.21487	1.8
311.20035	2.1
311.25790	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	311.2219
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03951	15.4
55.01875	11.5
55.05273	5.8
55.05520	76.9
56.81989	3.4
57.03446	31.3
57.07085	42.3
67.05511	92.9
69.03434	8.7
69.07076	86.4
71.04996	8.3
71.08636	9.0
79.05505	40.5
81.03424	46.1
81.07069	73.4
83.05003	15.8
83.08629	53.1
85.06557	4.4
91.05486	29.0
93.07055	48.0
95.04974	30.2
95.08053	6.2
95.08615	59.9
97.06535	11.1
97.10181	38.7
98.73619	2.9
99.08113	4.4
105.07032	21.3
107.04936	9.5
107.08604	25.7
109.06527	6.4
109.10166	38.4
111.04444	15.3
111.08079	9.6
117.07053	3.4
119.08603	21.4
121.06525	8.4
121.10159	32.9
123.08105	4.0
123.11742	7.2
125.06047	4.1
125.09611	18.2
131.08583	8.6
133.10155	11.9
135.08064	3.8
135.11691	17.7
137.09630	60.5
137.13278	4.7
139.11227	7.1
145.10165	9.8
147.11728	7.2
149.09636	11.2
149.13298	6.7
150.63553	3.0
151.11226	4.3
153.05492	7.6
155.08607	5.5
155.10690	3.7
156.02097	4.3
157.10138	4.6
159.11758	6.0
161.09650	4.0
163.11214	8.4
171.11658	4.7
173.11760	12.9
173.13190	3.1
177.12738	4.9
189.11172	4.8
209.11739	51.7
209.13391	4.9
217.08618	2.9
219.21101	6.4
223.13376	3.4
237.11232	39.9
237.14890	5.6
237.22141	7.8
254.24875	3.9
255.12366	6.4
257.19217	4.7
275.20102	32.1
288.80771	3.0
293.21112	44.2
311.16812	3.5
311.20044	12.7
311.25864	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
51.31744	2.3
53.03936	5.5
55.01867	10.7
55.05516	32.6
57.03442	16.5
57.06833	2.6
57.07080	34.0
65.03929	5.0
65.82904	2.2
66.69070	2.2
67.05183	4.4
67.05511	48.3
69.03413	8.9
69.07072	33.9
70.06597	2.9
70.73729	2.3
71.01338	3.4
71.04996	16.3
71.08612	4.2
71.50593	2.9
79.05500	39.8
81.03401	10.4
81.07060	62.2
83.04990	20.1
83.08618	18.3
85.02894	3.8
85.06534	8.8
91.05483	29.9
93.06491	3.6
93.07050	54.7
95.04980	18.0
95.08617	36.7
97.02921	3.3
97.06540	17.1
97.10165	13.8
99.08060	5.0
103.05488	2.2
105.07046	24.8
107.04975	10.0
107.08609	40.3
109.02865	6.5
109.06510	9.5
109.10159	21.1
111.04448	21.2
111.08080	11.9
111.11685	2.6
112.31858	2.5
113.06001	2.4
117.07024	11.4
119.08567	19.9
121.02858	4.3
121.06496	10.3
121.10157	31.7
123.08086	12.5
123.11689	6.9
125.05994	11.1
125.09638	17.6
127.03960	2.6
129.07011	3.8
131.08582	22.1
133.10143	17.5
134.74873	2.3
135.04375	3.2
135.08041	6.2
135.11670	8.6
137.09656	7.5
139.11186	22.0
142.07867	2.5
143.08569	4.1
145.10136	15.8
147.11699	10.2
149.02380	3.7
149.05972	10.2
149.09648	11.5
149.13188	2.8
149.78679	2.2
151.11102	3.6
153.05478	17.6
153.09129	3.7
153.12785	2.3
155.08551	4.4
157.10158	3.6
158.07274	2.7
159.11716	10.7
161.13264	6.3
163.11208	8.9
167.07071	6.8
167.10631	3.2
169.10202	3.3
171.11694	5.4
173.09567	3.7
173.13181	3.4
177.12692	3.2
181.04942	3.4
181.10008	3.1
181.12276	8.3
182.99608	2.4
183.11661	3.3
185.13261	5.5
189.11226	7.1
189.12753	3.0
191.10681	15.2
193.04967	7.3
203.12762	16.3
209.11731	100.0
209.13683	5.2
219.17464	5.2
221.15309	4.2
223.16876	3.1
229.19687	3.8
237.11218	82.0
238.11383	2.8
247.20804	2.8
255.12311	18.3
257.19025	8.0
275.17300	4.3
275.20093	54.2
293.21024	18.7
311.19992	9.5
311.24603	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	311.2217
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
50.01522	1.8
52.76591	1.3
53.03951	20.1
55.01875	11.2
55.05514	66.2
56.32977	1.6
57.03440	11.0
57.06836	1.7
57.07081	19.8
59.04985	1.8
61.97166	1.4
65.03928	2.4
67.05508	84.8
68.05836	3.0
69.03427	13.3
69.07075	37.4
71.04980	4.7
71.08604	5.8
71.51083	2.6
79.05078	2.2
79.05499	33.4
81.03422	73.3
81.06592	3.0
81.07059	53.2
83.04980	11.0
83.08622	37.1
85.06532	4.4
91.05486	22.5
93.07050	31.5
95.04972	42.8
95.08611	36.7
97.06527	6.1
97.10176	39.9
99.08081	2.9
99.97731	1.7
105.07051	11.2
105.53127	1.5
107.04976	11.6
107.08604	27.1
109.06544	8.0
109.10162	50.7
111.04436	4.2
111.08065	5.7
111.11758	2.3
113.05927	1.5
117.07009	3.7
119.07806	2.3
119.08584	27.0
120.08955	1.6
121.06514	5.5
121.10164	13.2
123.08048	4.6
123.11689	5.6
125.09624	20.2
129.06985	2.2
131.08575	5.9
133.10136	7.3
135.08063	6.6
135.10802	1.8
135.11694	8.2
137.09624	91.5
139.11139	4.6
143.08638	1.9
145.10129	6.1
147.08041	4.4
147.11674	5.4
149.09613	8.5
149.13292	2.0
151.11186	4.4
153.05475	2.7
153.09077	2.2
153.12724	2.2
155.10664	6.4
159.11601	3.6
161.13179	1.8
163.11136	7.2
165.09145	4.2
171.10190	2.6
171.11685	3.3
173.11763	20.9
177.12782	2.3
187.11230	2.7
189.11180	7.2
191.10701	3.3
191.14439	1.8
201.12944	1.8
209.11690	14.7
219.21043	2.4
223.13289	5.4
229.19455	2.3
237.11240	13.9
237.22102	2.4
247.20627	3.1
255.12105	2.5
257.19022	3.9
275.20096	30.0
276.54013	1.5
293.21115	100.0
311.19919	4.5
311.22714	2.3
311.25845	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.222
Annotation	Sterebin A
Peak:m/z	Relative Intensity
50.43348	3.7
55.01864	14.4
55.05516	26.2
57.03438	5.9
57.07066	5.6
67.05513	32.1
69.03439	5.2
69.07075	44.5
69.50923	23.9
70.06561	4.9
71.04990	4.6
71.08637	6.9
73.52041	3.5
79.05501	33.3
81.03423	14.2
81.07056	34.0
83.04984	25.6
83.08614	8.9
85.02892	6.3
91.05476	15.8
93.07056	34.5
95.04973	77.4
95.08601	34.9
97.06518	13.1
97.10165	9.7
98.20753	4.7
99.04436	7.8
99.91553	3.7
105.07054	19.0
107.04957	8.9
107.08587	15.1
109.06494	8.1
109.10172	13.5
111.04470	31.3
111.08096	5.3
112.61643	3.8
113.33308	3.5
117.07021	7.9
119.08574	10.1
121.02887	3.6
121.06477	10.5
121.10147	17.1
125.06049	4.2
125.09619	6.6
131.08560	13.4
133.10144	10.1
135.08075	16.5
135.11723	7.4
139.11198	9.0
143.08598	4.2
145.10146	9.6
147.11757	7.5
149.02293	5.6
149.05989	5.1
149.09572	6.8
149.13289	5.2
151.11168	3.6
159.11702	16.2
163.11176	5.7
167.14246	5.2
173.13245	7.1
177.12718	12.8
184.35825	3.8
187.11151	4.1
193.05034	18.8
195.13800	5.4
203.12802	5.5
207.13763	4.5
219.13756	7.2
223.13211	4.9
225.14720	3.8
237.11174	5.2
237.14851	85.2
239.18202	4.4
251.16504	4.3
252.10005	8.5
257.19067	5.0
275.20065	67.1
293.21167	100.0
311.24976	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2219
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03942	3.6
55.01869	8.8
55.05509	18.0
57.03425	2.4
57.07079	5.1
65.03938	5.4
66.89490	2.3
67.05511	88.5
69.03455	3.4
69.07074	18.1
69.82009	5.2
69.82394	7.1
71.04999	100.0
79.05501	34.5
81.03398	3.0
81.07057	61.7
81.44004	2.4
83.04972	12.6
83.08618	8.2
85.02895	4.7
85.06549	26.6
91.05494	32.7
93.07059	29.6
95.04989	15.7
95.08620	23.4
97.06551	18.4
97.10180	4.3
99.08087	3.5
105.07042	29.8
107.04949	4.3
107.08635	17.4
108.97143	2.2
109.06524	18.6
109.10169	7.9
111.08057	7.1
113.06003	14.2
117.07032	4.4
119.08601	26.5
121.06519	4.1
121.10134	14.6
123.08064	14.8
123.11687	6.3
125.09682	2.8
127.07572	4.3
129.07013	4.4
131.08569	12.5
133.10130	16.8
135.11705	9.2
137.09621	6.6
137.47231	2.2
138.83681	2.3
145.10124	9.9
147.11714	21.8
149.09624	3.1
149.13313	4.8
157.10153	5.0
158.04182	2.2
159.11681	6.0
161.13264	12.4
163.11174	5.0
165.12766	5.9
169.10052	3.6
171.11708	7.9
173.13261	5.4
175.11139	4.9
189.12729	9.3
207.13847	11.5
221.43262	2.5
239.17947	4.2
246.06815	2.4
249.18539	3.7
257.19159	3.0
275.20096	33.9
293.21140	38.7
311.22437	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2013
Annotation	6-Hydroxynobiline
Peak:m/z	Relative Intensity
53.03948	1.6
55.01871	0.8
55.05516	9.6
57.03438	1.4
57.05827	0.9
67.05512	6.1
69.03446	0.9
69.07070	2.5
69.09285	0.7
70.06596	0.8
71.05000	2.3
71.32816	1.0
71.33146	1.3
71.77084	0.7
71.87888	0.7
72.08160	100.0
79.05502	7.2
80.05833	1.1
81.07066	11.7
82.07390	0.7
83.04993	4.9
83.08642	1.9
84.08185	0.8
85.02915	4.2
86.03252	1.8
91.05487	11.6
91.06029	1.2
93.07048	16.6
94.07382	1.0
95.04429	0.8
95.04966	3.5
95.08600	3.8
96.08963	0.8
97.06557	1.8
97.10200	0.8
98.03207	1.0
99.04503	0.7
105.07040	16.4
105.07693	1.4
106.69928	0.7
107.04952	0.8
107.08616	4.9
109.06523	11.3
109.10188	3.1
111.04416	0.8
111.08127	2.9
114.09175	4.3
115.19924	1.0
117.07068	1.5
118.08662	34.5
119.08558	5.2
120.08923	1.0
121.06492	0.9
121.10160	2.2
123.08054	1.8
123.11713	1.6
125.09580	1.3
129.07019	1.3
131.08557	3.8
132.08907	1.1
133.10147	20.4
137.06027	0.8
142.08665	2.0
146.05179	0.8
147.11688	16.0
149.09679	2.0
151.07619	3.5
151.11194	48.0
157.10228	0.8
165.12758	2.0
175.11168	5.2
193.12277	4.3
232.64343	0.7
246.18576	7.0
264.19601	29.1
292.19180	6.9
293.14456	0.8
310.20145	16.8
311.20367	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51788	1.3
53.03951	8.9
55.01879	4.1
55.05518	75.2
56.05033	3.1
56.05835	2.0
57.03436	5.6
57.07085	3.2
58.06601	1.3
59.05006	2.3
63.10719	1.5
65.03939	5.5
67.05512	100.0
68.05824	1.5
69.03437	4.0
69.06728	2.1
69.07077	20.2
69.94579	8.3
70.06596	4.8
70.07418	2.1
79.05497	28.3
80.05025	25.9
81.05802	7.9
81.07063	75.1
82.06593	11.9
82.07392	3.7
83.04974	3.2
83.08631	26.3
84.08951	1.8
91.05488	13.3
93.05756	2.1
93.07034	6.0
94.06570	21.1
95.07356	2.6
95.08611	8.5
96.08953	2.2
97.10177	48.4
98.10494	1.9
99.08125	1.3
101.09724	1.8
105.07036	12.1
106.06589	2.4
107.07360	3.9
107.08595	14.2
107.33011	1.4
108.08125	7.6
109.06521	2.5
109.10194	3.0
110.10502	1.5
110.11289	1.4
120.08070	1.6
120.08973	1.5
121.08882	2.8
121.10144	1.7
122.09667	3.1
122.10548	1.4
123.11738	3.3
125.09640	42.5
127.60577	1.4
133.10126	3.5
140.14337	12.9
143.10683	6.1
145.10179	1.4
150.12794	70.4
152.10728	1.6
164.14357	2.7
202.98952	1.4
218.90186	1.4
222.14969	2.2
237.11166	2.1
259.86560	1.6
292.22690	37.5
310.24438	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.6
55.01865	2.7
55.05503	3.7
56.05040	2.8
56.96583	2.4
58.06595	2.1
60.04529	14.1
65.74865	1.8
67.05512	17.2
68.05018	2.9
69.03417	5.0
69.04559	5.4
69.07043	2.9
70.02949	2.7
70.06599	30.3
71.05002	29.4
71.49103	1.8
71.49483	2.1
72.04514	2.0
72.08169	20.0
73.08474	2.0
77.75337	2.0
78.01809	2.3
80.05003	8.2
81.03410	3.3
81.07058	1.9
82.06581	2.8
84.04494	8.6
84.08150	42.9
85.02899	11.6
85.06544	7.8
86.09710	9.8
87.05594	3.0
91.05502	4.5
93.07048	2.3
94.06558	5.4
95.04984	10.3
97.02910	12.3
98.06068	100.0
98.97567	4.0
99.04494	2.4
99.05577	8.5
101.07079	2.0
103.05457	2.5
107.04967	74.0
108.05288	2.3
110.06013	2.3
110.07154	8.4
112.07573	6.5
112.08716	2.1
112.11231	3.8
113.06016	63.5
116.07096	4.0
116.09044	2.0
116.98614	2.7
117.06623	10.6
117.07333	2.0
120.08115	75.1
121.02846	3.1
122.06039	6.2
123.04446	7.2
124.31070	2.4
127.03965	3.7
129.10252	12.4
130.06564	2.1
130.08641	2.3
131.07060	28.4
135.04433	37.3
136.06223	13.8
136.07552	7.3
140.07079	28.9
141.05452	7.2
145.05005	2.3
145.06044	4.4
148.04805	2.5
156.07698	3.0
158.08147	52.4
158.09454	4.2
166.08670	19.3
176.09216	31.9
176.10632	2.6
176.75427	2.1
177.00706	3.0
177.10310	10.1
186.09149	2.8
204.10234	4.8
207.11362	7.2
213.12338	5.6
224.84290	2.1
230.67105	2.0
232.09740	17.4
253.11923	2.5
292.11795	39.4
295.14731	2.3
301.71722	2.1
310.09473	4.6
310.12897	42.9
310.17462	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	309.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03726	2.6
53.03954	18.0
55.01878	8.9
55.05511	27.0
57.03444	5.8
57.07074	6.9
58.89074	1.8
62.11941	1.9
67.05511	62.2
69.03429	4.7
69.07071	40.1
69.17162	20.1
69.17560	2.8
71.04998	3.4
71.08633	5.5
79.05067	3.5
79.05499	43.8
81.03421	65.7
81.03868	4.0
81.06590	3.9
81.07063	63.3
83.04985	14.5
83.08619	12.3
85.02937	2.0
85.06551	3.5
85.10192	4.0
91.05494	25.7
93.07050	42.5
95.04977	37.9
95.08617	23.9
97.06531	6.1
97.10172	12.4
99.08094	5.4
105.07059	23.9
106.09127	2.2
107.04990	3.1
107.08604	29.9
108.05087	1.9
109.06528	7.7
109.10166	20.2
112.78900	2.2
117.07031	6.0
119.08575	13.8
121.10168	12.9
123.08077	3.1
123.11718	10.9
125.09659	17.7
129.07054	3.6
131.08577	4.7
133.10153	22.0
135.08078	6.8
135.11758	10.2
143.08501	2.4
144.28818	2.1
147.08122	3.3
147.11702	19.4
149.13284	7.0
151.11198	50.7
153.09140	6.6
157.10175	4.3
161.09592	2.1
161.13246	15.0
163.14836	5.6
165.12772	10.6
171.10263	2.0
171.11713	4.8
175.11226	4.1
175.14854	6.6
177.12703	3.8
179.14337	4.7
185.13203	2.7
189.12799	5.9
193.12326	3.1
199.14929	2.3
202.66451	2.1
203.12798	6.0
207.13802	3.7
217.19530	4.0
221.15459	3.4
231.21159	11.7
241.19498	9.0
249.22180	4.4
259.20490	9.5
277.21646	100.0
309.24136	7.0
309.27536	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	309.2425
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
51.41082	1.8
53.03942	6.9
53.06572	1.7
55.01857	3.9
55.05265	2.3
55.05511	21.9
57.03443	11.0
57.07066	3.4
59.04991	3.4
65.03922	1.8
67.05508	58.2
68.67906	1.6
69.03413	2.3
69.07072	22.1
69.81568	1.6
71.04091	2.2
71.04981	5.8
71.08639	46.6
79.05495	52.2
81.03411	10.5
81.06590	3.4
81.07060	62.5
83.04521	2.0
83.04980	13.5
83.08624	13.5
85.06521	4.0
91.05492	32.1
92.64878	1.8
93.07050	66.7
95.04967	9.3
95.08609	40.4
97.06555	10.1
97.10141	3.9
99.08096	48.2
105.07031	19.6
107.04940	6.6
107.08596	38.9
109.06485	4.7
109.10166	17.6
111.08055	3.7
117.07050	3.8
119.08584	19.6
121.06482	2.1
121.10147	32.9
123.04430	2.0
123.08059	2.2
123.11739	2.6
127.11150	2.2
129.07045	3.0
131.00647	1.7
131.08591	5.4
133.10143	15.2
135.07990	2.6
135.10703	2.9
135.11693	42.1
137.09595	5.8
139.11128	2.2
141.09068	3.6
145.10144	5.6
147.11676	7.1
149.13286	11.9
151.11203	19.8
153.12697	2.3
157.10118	2.7
159.11714	5.2
161.13263	11.1
161.25421	2.0
163.11176	6.6
163.14795	3.5
165.12827	2.5
167.10773	2.0
171.11638	2.4
175.11113	1.8
175.14874	2.6
177.12711	3.9
179.14320	100.0
185.13162	2.2
189.12871	2.6
195.13794	2.4
199.14874	2.5
217.19412	2.3
221.15346	4.1
235.16913	4.4
241.19531	2.9
259.20630	5.3
277.21625	51.1
309.24417	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	309.2425
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03943	5.9
55.01877	19.4
55.05515	28.6
57.03426	7.4
57.07078	2.9
65.03948	2.0
67.05140	1.9
67.05508	58.3
69.03423	5.6
69.07072	94.3
70.16932	4.2
70.17336	3.8
71.04995	7.1
79.05496	50.9
81.03423	4.4
81.07061	100.0
83.04993	11.2
83.08626	11.8
85.06535	10.1
91.05485	30.2
93.07044	43.7
95.04966	12.5
95.08609	52.5
97.06544	22.3
97.10159	5.6
99.08093	17.6
105.07030	28.1
107.04986	2.8
107.08610	27.9
109.06515	7.1
109.10172	12.5
111.08081	6.1
117.07007	8.5
119.08588	23.2
120.75779	2.0
121.06494	2.1
121.10158	37.8
123.04387	2.7
123.08093	8.4
123.11710	6.2
125.08776	3.2
125.09640	44.5
129.07010	5.8
131.08568	8.5
133.10120	14.6
135.08011	2.1
135.11708	25.9
137.09575	2.2
139.11208	2.7
143.08560	5.8
145.10104	10.8
147.11714	26.4
149.09645	4.0
149.13257	9.4
151.11201	3.6
157.10121	3.0
159.11702	6.7
161.13278	17.9
163.11179	3.9
163.14853	3.8
165.12762	8.3
167.90512	1.7
171.11705	13.2
173.13228	4.4
175.14859	4.4
179.14322	5.5
181.15913	2.9
185.13245	4.5
189.12749	6.9
199.14783	2.5
207.13835	5.7
218.44128	2.2
235.16936	2.4
241.19518	5.8
259.20609	8.3
277.21622	28.3
291.23196	4.8
309.24310	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2424
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03949	3.4
55.01876	2.0
55.05515	41.8
57.03164	1.6
57.03442	30.1
57.07067	6.0
58.51178	1.5
59.05006	1.8
65.03936	3.2
67.05508	90.3
69.07071	44.8
69.25961	14.9
71.04987	3.0
71.08615	2.8
79.05502	27.4
81.07059	100.0
82.59359	1.4
83.04968	5.9
83.08629	24.7
85.06546	2.5
86.19231	1.3
90.04779	1.4
91.05486	29.9
93.07046	24.4
95.04987	1.7
95.08614	56.0
97.06517	5.7
97.10168	8.6
99.08096	6.9
105.07036	18.7
107.08607	12.4
109.10166	20.9
111.08057	3.6
119.08584	12.5
121.10148	10.3
123.08071	1.6
123.11702	10.0
125.09614	3.9
133.10110	12.5
135.11707	9.4
137.09668	2.5
137.13275	4.6
139.11206	2.4
147.11736	7.6
149.13264	2.3
151.11241	1.8
153.12732	1.7
153.79256	1.3
161.13293	5.9
175.14821	1.9
217.19521	7.2
235.20561	2.9
306.69229	1.7
309.24265	86.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.8
55.01874	2.0
55.05513	5.4
57.03446	7.6
57.07077	1.1
59.05007	100.0
65.03943	1.3
67.05515	6.4
69.03427	2.5
69.07076	8.2
70.06593	2.1
70.11983	1.5
70.12396	2.8
70.82845	0.8
71.04993	2.8
72.08163	2.6
72.51913	0.9
79.05499	6.4
81.03413	2.9
81.07063	14.0
83.04987	2.9
83.08615	2.3
84.08144	2.6
85.02901	2.5
85.06564	1.3
86.09715	7.3
87.10033	2.7
91.05470	6.8
93.07056	10.1
95.04972	5.5
95.08599	7.6
97.02864	0.9
97.06521	1.8
97.10203	1.0
99.08092	4.6
105.07039	6.3
106.07396	0.9
107.04967	2.8
107.08599	6.6
107.88394	0.9
109.06528	4.0
109.10162	4.6
111.04469	0.9
111.08083	2.1
117.07028	3.3
117.09142	18.7
118.07368	1.3
119.04948	2.6
119.08610	5.2
121.06531	2.1
121.10166	4.8
123.04419	1.8
123.08069	3.2
123.11744	2.3
125.09627	1.7
127.07574	1.1
128.06248	1.2
129.07008	3.3
131.08589	3.4
132.08896	0.8
133.10133	3.2
135.08087	4.4
135.11739	2.0
136.06221	0.9
136.08418	2.3
137.06056	1.0
137.09604	1.4
139.11209	1.3
141.06953	0.9
142.03001	0.9
142.07777	2.2
143.08530	1.8
145.06523	1.0
145.10098	1.8
147.04430	10.0
147.08081	1.5
147.11687	1.9
149.09592	3.4
155.08588	2.3
157.10146	7.6
159.11696	1.8
160.08498	0.9
161.09680	1.2
163.07582	1.4
171.11652	1.5
175.11272	1.1
175.13307	2.1
175.14740	1.3
175.85876	1.0
177.05571	1.0
178.09576	1.3
183.11603	1.0
185.11526	0.9
185.13194	1.5
189.12852	1.3
195.11652	1.0
197.13315	1.4
205.06606	1.5
205.08614	2.0
206.09071	4.8
209.13298	2.2
217.15985	1.2
227.61444	0.9
234.06700	1.0
235.07672	1.1
249.16769	1.1
251.17920	1.3
273.18433	3.4
277.08557	1.7
279.08594	1.6
281.11887	1.0
291.08755	1.2
291.19940	4.7
293.08060	1.9
309.07819	1.8
309.10773	1.0
309.13522	1.4
309.21103	6.5
309.27780	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	309.2213
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
51.13286	0.6
55.05511	2.9
57.03444	1.0
67.05509	5.8
69.03412	1.0
69.07065	3.4
70.44810	1.7
79.05492	3.5
81.07061	11.0
83.08618	1.2
85.02879	1.3
91.05476	2.7
93.07038	3.8
95.08608	8.6
97.06526	0.6
97.10183	0.6
105.07040	5.1
107.08604	3.8
109.06521	0.6
109.10171	5.4
111.08104	0.9
113.09647	0.8
115.05467	1.2
117.07014	0.6
119.08580	2.6
121.06529	0.6
121.10142	2.1
123.11736	1.5
128.06241	2.2
129.07021	14.0
131.08594	2.4
133.10136	1.7
135.11737	0.7
139.11205	0.6
141.06978	4.9
142.07796	19.8
143.08578	3.5
145.10126	2.0
147.04509	0.6
147.11736	1.5
149.13313	1.0
152.79135	0.7
153.07019	1.9
154.07768	0.9
155.08560	22.4
156.09380	0.7
157.10138	100.0
158.10504	1.5
159.04756	0.6
159.11688	4.0
165.06960	1.9
166.07790	1.0
167.08589	4.8
168.09312	1.3
169.10153	3.6
171.11674	6.4
173.13176	0.6
179.08582	3.2
180.09422	3.1
181.10126	4.9
182.10953	0.9
183.11708	15.7
185.13292	1.5
191.08543	0.9
192.09309	1.8
193.10149	3.2
194.10912	2.0
195.08830	0.6
195.11710	15.0
196.12476	1.1
197.13286	8.7
199.11183	0.9
199.14713	1.0
205.10088	1.3
206.10950	1.7
207.11707	6.2
208.12550	0.7
209.13269	16.8
211.14781	3.0
219.11626	1.1
220.12465	1.5
221.13289	7.5
222.14056	0.9
223.14856	3.9
225.16429	1.4
233.13287	1.0
234.14153	0.7
235.14790	6.2
236.15556	1.1
237.16290	0.9
247.14832	1.4
247.45352	0.6
248.15613	1.8
249.16379	9.3
251.17957	18.7
261.16486	0.7
262.17197	0.8
276.18640	1.2
281.22708	1.1
291.21140	18.6
309.22150	77.7
310.22552	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	309.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.7
55.01858	4.7
55.05522	18.2
57.03432	7.4
57.07072	3.4
62.59436	2.4
66.74459	2.5
67.05510	41.5
69.07069	22.9
71.04977	4.5
79.05495	33.1
81.03412	5.7
81.07060	50.4
83.04964	3.5
83.08624	8.2
91.05483	43.4
93.07053	67.1
95.04976	47.8
95.08611	43.1
97.06518	17.0
97.10223	4.2
98.20737	9.3
100.10775	2.4
102.93902	2.6
103.05488	5.0
105.07035	80.8
107.04957	4.5
107.08607	37.5
109.06504	7.2
109.10150	18.3
113.09701	3.4
113.91537	2.4
114.64322	2.4
115.05478	4.5
117.07030	16.9
117.15511	2.7
119.08587	61.4
121.06498	10.0
121.10158	100.0
123.08074	11.2
123.11720	8.8
128.06219	9.1
129.07004	10.6
131.08571	32.0
133.07651	3.8
133.10124	39.4
135.08041	4.8
135.11684	11.3
141.06964	7.2
142.07784	12.4
142.43608	2.6
143.08588	25.1
144.09338	4.0
145.06505	2.9
145.10149	43.3
147.08060	5.1
147.11700	14.3
149.09653	4.3
151.11205	3.6
154.07811	4.4
155.08554	7.9
156.09329	12.0
157.10150	32.9
159.08051	3.3
159.11690	31.1
161.09612	9.4
161.13292	7.2
167.08540	4.3
169.10162	17.8
170.10962	4.7
171.11687	15.0
173.09793	2.9
173.13220	19.7
175.14822	9.1
179.08546	5.3
180.09389	3.3
181.10126	5.2
182.10960	5.8
183.11719	13.3
185.13234	10.6
187.11201	8.8
187.14845	15.5
189.16399	4.0
193.10138	4.3
195.11723	6.6
197.13269	11.8
199.11137	3.6
199.14836	9.2
201.12642	2.7
201.16411	3.3
206.87509	3.0
207.11725	5.9
209.13228	7.2
211.14801	8.7
213.16397	5.3
221.13220	4.8
223.14931	3.6
225.16344	4.8
235.14919	5.4
239.17979	3.9
253.15695	3.8
253.19630	4.0
265.19620	5.2
277.21698	4.7
281.22607	3.1
291.21130	8.6
309.21933	66.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2213
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03931	6.4
55.01849	4.1
55.05515	19.1
57.03413	6.2
57.07059	5.8
65.03920	4.5
67.05509	34.7
69.03416	2.7
69.07071	20.9
71.01871	2.2
71.08628	2.4
77.77412	2.4
79.05503	34.9
81.03385	2.4
81.07059	47.5
83.04958	3.4
83.08611	9.4
91.04924	3.2
91.05478	46.3
93.07050	64.2
95.04399	2.6
95.04973	51.5
95.08611	39.3
97.06549	16.9
97.10154	2.7
98.20730	5.6
103.05415	4.4
105.07036	81.7
107.08598	34.0
109.06480	10.1
109.10168	22.0
115.05429	4.8
117.07001	21.0
119.08582	66.6
121.06483	10.7
121.10147	85.4
123.08038	10.2
123.11681	11.5
128.06195	5.3
129.07031	16.3
130.07759	4.9
131.08566	34.1
133.06476	3.7
133.10133	39.2
135.08002	6.6
135.11685	13.4
141.06966	8.0
142.07790	14.3
143.07648	2.8
143.08582	27.7
144.09291	8.0
145.10146	42.1
147.08040	5.7
147.11667	12.5
149.09660	4.8
153.06909	2.5
154.07758	2.9
155.08569	15.2
156.09335	9.8
157.10147	31.3
158.10902	4.2
159.08044	3.8
159.11691	36.7
161.09601	7.6
161.13260	5.9
163.11185	2.5
165.06921	4.5
167.08577	7.1
168.09288	5.0
169.10114	20.5
170.10918	6.2
171.08081	3.5
171.11708	28.6
173.09648	5.2
173.13255	22.8
175.14790	9.0
179.08521	6.2
180.09210	3.9
181.10100	9.4
182.10771	4.9
182.40663	2.5
183.11708	19.2
184.12488	2.8
185.13208	10.0
187.11169	9.4
187.14832	21.3
193.10063	7.5
194.10846	6.1
195.11752	12.0
196.12451	4.2
197.13232	16.7
199.14778	10.6
201.12744	3.6
205.10129	2.4
207.11644	6.9
209.13239	17.9
210.14066	4.0
211.14857	12.8
213.16467	3.1
221.13257	5.7
223.14778	8.5
225.12753	4.3
225.16383	8.2
235.14725	10.0
239.14230	5.0
239.17987	4.1
240.18860	2.9
241.15884	3.2
249.16382	6.7
252.18771	2.8
253.15805	5.7
265.19513	6.3
267.17178	2.9
281.22549	10.6
286.99078	2.9
291.21265	15.2
291.23816	3.2
309.22064	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2062
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.69713	1.0
53.03941	1.9
55.01876	6.7
55.05515	11.0
57.03426	4.6
63.26625	1.0
65.03941	1.4
67.05502	15.6
69.03429	8.5
69.07062	7.7
69.74207	5.3
71.04984	5.0
79.05492	13.7
81.03405	3.6
81.07062	16.8
83.04994	13.9
83.08607	5.6
85.02883	3.8
85.06528	5.2
91.05489	19.8
93.06487	1.7
93.07046	22.7
95.04979	8.1
95.08614	16.5
97.02905	2.6
97.06517	8.8
99.04467	12.8
99.08105	1.4
104.92712	1.1
105.07042	8.1
107.04935	3.5
107.08601	10.0
109.06542	5.6
109.10149	4.2
111.03725	1.9
111.04451	27.7
111.08082	2.7
113.06017	14.2
117.06986	2.4
119.04126	1.8
119.04951	22.7
119.08586	7.9
121.06487	3.0
121.10133	4.6
123.08080	6.8
123.11732	1.0
125.09608	4.5
127.03899	2.8
128.06223	0.9
129.06990	3.2
130.00558	4.7
131.08536	3.6
133.06538	1.2
133.10123	8.2
135.08041	4.0
135.11668	3.1
137.05948	3.0
137.09650	3.2
143.08566	3.0
145.10144	2.1
147.04417	100.0
147.11707	4.2
149.09680	5.3
151.11153	2.2
153.09084	5.2
155.08585	2.6
157.10114	6.9
159.11681	2.4
161.09607	3.4
162.09296	1.2
163.11209	1.9
165.09067	1.5
165.12738	2.7
167.14339	2.5
171.11674	3.0
175.11195	10.1
177.08928	1.2
178.01654	3.9
179.10629	2.7
183.11699	1.4
185.09602	1.3
187.14876	1.2
193.12250	13.7
203.10634	1.7
207.03198	2.9
221.11687	7.1
245.18916	2.7
251.18002	1.1
255.17361	1.5
263.19986	1.8
273.18478	5.8
291.19507	17.9
309.09540	2.5
309.20874	3.9
309.24524	2.2
315.51752	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2062
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03942	3.3
55.01879	37.7
55.05520	19.5
57.03428	9.0
57.07066	2.5
62.97621	2.4
67.05511	38.1
69.07079	14.9
71.01466	4.1
71.01805	2.3
71.04993	4.6
79.05499	26.5
81.03427	12.1
81.07066	44.5
83.04999	30.0
83.08619	6.4
85.02914	2.6
85.06538	2.4
91.05497	16.9
93.07050	19.8
95.04971	18.2
95.08614	18.0
97.06545	30.9
97.10156	7.2
98.12881	2.0
99.04471	24.0
99.08080	7.0
105.07051	13.6
107.04975	10.3
107.08617	13.6
109.06549	20.8
109.10162	15.2
111.04454	100.0
111.08084	3.8
117.07010	6.3
119.08576	11.2
121.06535	3.1
121.07542	2.0
121.10161	10.1
123.08060	6.7
125.09671	5.8
129.06985	3.4
131.08580	8.3
133.06544	3.5
133.10138	8.7
134.61656	2.1
135.08066	7.1
135.11676	3.8
137.09651	14.8
143.08586	4.7
145.10185	5.5
145.28763	2.1
147.04454	3.2
147.08110	3.5
147.11714	2.4
149.09622	7.9
151.11147	2.7
153.09123	20.3
153.14342	2.1
155.08609	3.1
157.10170	4.2
159.07999	2.5
159.11646	4.0
161.09686	10.4
161.13283	2.6
163.11191	4.6
171.11642	3.5
173.11803	4.7
173.13403	3.1
175.11224	5.8
179.10709	4.6
182.25444	2.3
187.11243	2.7
189.12790	2.8
193.12454	2.3
199.14819	2.1
217.15891	2.2
227.18063	3.4
231.13681	2.3
249.14935	3.5
255.17578	3.6
263.20099	11.9
267.16068	3.7
273.18591	13.6
291.19513	40.4
309.20633	32.9
309.25739	12.3
311.84161	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	309.2063
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03946	4.5
53.48078	1.0
55.01878	34.6
55.05275	1.4
55.05518	18.0
57.03432	4.4
59.05007	1.5
65.03932	3.0
66.04726	1.2
67.05511	37.2
69.03423	2.2
69.07074	17.3
71.04988	4.3
71.50452	1.5
79.05080	1.3
79.05500	21.7
81.03425	13.4
81.06591	2.4
81.07061	43.1
83.04989	27.4
83.08614	6.0
85.02887	3.1
85.06545	1.5
91.05482	13.1
93.03431	1.1
93.06483	1.8
93.07050	19.6
93.07624	1.3
95.04968	17.4
95.08616	20.5
97.02921	1.3
97.05936	1.5
97.06539	23.5
97.10192	5.3
99.04462	22.5
99.08144	1.9
105.07033	13.2
107.04940	9.8
107.08604	13.4
109.06524	27.5
109.09460	1.6
109.10161	14.9
111.04450	100.0
111.08093	2.6
117.07030	5.0
118.61425	1.2
119.08602	12.2
121.06497	3.7
121.10127	8.1
123.04435	1.5
123.08069	6.5
125.09637	7.1
127.07598	1.1
129.07024	2.9
131.08574	6.6
133.06490	2.2
133.10129	8.8
135.08055	4.6
135.11702	3.3
137.06049	1.0
137.09637	12.5
139.07521	1.5
139.11182	1.6
143.08594	4.5
145.06499	1.3
145.10118	4.4
146.07425	1.1
147.04420	1.9
147.08051	2.4
147.11703	4.5
149.09630	7.5
149.13293	2.4
153.09100	15.6
155.08582	1.4
155.10646	2.7
157.10143	5.6
159.11708	6.7
161.09665	8.8
161.13297	1.4
163.11177	2.7
169.10196	1.5
171.11682	3.9
173.09665	1.6
173.11734	3.4
173.13203	2.7
175.11156	5.7
177.12799	2.5
183.11694	2.4
185.13309	3.5
189.11258	1.2
189.12816	2.3
193.12367	2.5
197.13287	1.5
199.14841	3.2
221.11681	1.2
221.15182	1.4
227.18047	1.9
231.13829	1.9
239.17989	1.3
245.19038	1.8
249.14896	2.9
263.20132	7.5
267.15903	3.4
273.18463	11.1
291.19574	38.7
297.32013	1.2
309.20609	22.4
309.25742	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	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03948	4.4
55.01873	6.4
55.05273	2.2
55.05518	30.1
57.03441	4.2
65.03935	1.6
67.05509	23.0
69.03410	3.8
69.07070	19.7
70.07413	2.1
71.50652	1.9
72.08163	1.8
79.05496	22.0
81.03419	3.4
81.07059	32.6
82.07361	2.5
83.04973	4.3
83.08622	16.9
91.05492	10.8
93.07053	14.9
95.04981	7.6
95.08619	14.3
97.06549	2.1
97.10175	24.5
105.07059	11.1
107.04967	4.2
107.08605	14.9
109.06545	3.3
109.10174	7.3
111.04450	2.6
111.08096	1.8
116.61501	1.6
117.07030	5.2
118.07278	1.3
119.08607	7.4
121.06509	3.9
121.10182	6.2
123.08079	8.2
125.09650	17.6
129.06998	1.7
131.08572	5.2
133.06497	3.5
133.10123	3.8
135.08032	3.3
137.05983	9.7
137.09613	4.5
141.07066	1.4
141.53790	1.6
143.08482	3.4
145.10162	5.8
147.08078	3.3
147.11696	6.4
149.11504	1.7
157.10146	2.8
161.09612	2.2
163.11189	2.4
165.09128	3.8
171.10196	3.2
171.11647	3.3
175.11295	1.7
189.11256	8.6
189.12746	2.1
199.11292	1.6
223.13205	2.4
223.15137	2.1
245.18996	2.9
251.79184	1.5
255.17564	2.4
273.18546	12.3
277.17978	4.3
291.19525	100.0
300.50992	1.5
309.20871	5.7
309.24344	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	309.2062
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03936	4.2
54.85109	1.3
55.01856	5.6
55.05519	20.7
57.03440	2.6
67.05510	34.4
69.03445	1.4
69.07076	7.0
70.41360	3.0
70.41765	3.1
79.05495	43.1
81.03416	3.1
81.07071	23.2
83.04978	2.5
83.08619	12.9
89.18378	1.4
91.05486	21.0
93.06572	1.8
93.07059	21.1
95.04961	5.6
95.08603	16.0
97.10185	10.2
105.04500	2.0
105.07024	12.8
107.04964	100.0
107.08596	22.7
109.06533	1.8
109.10170	19.5
111.08093	2.6
115.05452	2.6
117.07024	7.6
119.08598	19.4
121.06421	1.8
121.10138	5.3
123.08045	3.1
125.09634	9.7
129.07022	2.1
131.08562	4.5
133.06482	2.5
133.10126	4.2
135.08063	40.8
135.11708	2.6
137.09637	9.6
139.11185	1.8
143.08549	2.3
145.10143	9.0
147.08070	8.4
149.09567	2.3
155.10696	6.5
157.10146	4.3
159.07947	1.4
159.11647	3.3
159.48788	1.2
161.09642	3.1
165.09117	5.1
171.11642	2.0
173.11760	8.8
189.11285	3.3
197.32405	1.4
213.16425	1.8
245.42880	1.4
255.17444	2.3
273.18561	14.7
291.19510	23.9
291.40372	1.5
309.20856	2.3
309.24246	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	309.2063
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03940	4.0
54.35245	1.2
55.01870	6.1
55.05521	36.5
57.03439	2.7
57.07082	1.8
59.05001	1.7
67.05514	31.8
68.05843	1.3
69.03426	3.7
69.07080	20.4
69.77872	3.3
69.78259	3.3
70.07405	1.6
71.04995	2.2
75.46320	1.3
79.05502	22.0
79.34660	1.4
80.05834	1.6
81.03415	3.8
81.07068	30.6
82.07411	2.2
83.04980	5.8
83.08630	16.3
85.06556	3.3
86.09689	1.5
91.05477	13.5
93.07050	13.6
94.07372	1.9
95.04998	8.2
95.08623	12.7
97.06522	3.6
97.10186	22.5
105.07037	11.5
107.04958	4.4
107.08610	11.5
108.08919	1.7
109.06548	3.6
109.10159	7.9
111.04445	3.7
111.08165	2.1
117.07038	4.2
119.04919	1.5
119.08599	9.8
121.06527	3.8
121.10154	7.8
123.04407	1.6
123.08066	9.3
125.09649	15.2
127.07565	1.3
128.06201	1.4
129.07025	3.7
131.08615	5.2
133.06516	2.4
133.10135	5.6
135.08060	5.4
135.11682	1.8
136.35722	1.3
137.06000	12.7
137.09636	2.6
143.08551	1.6
145.10112	5.6
147.08057	3.6
147.11707	4.3
149.09659	1.6
157.10133	3.2
159.11740	2.3
161.09659	3.7
163.11285	2.3
165.09123	4.1
167.59653	1.5
169.10136	2.2
171.11783	3.1
175.11174	3.2
189.11259	10.2
189.65756	1.7
191.10701	1.5
222.14833	1.6
223.13266	2.1
223.15266	2.4
227.12550	1.8
235.13191	1.8
273.18515	13.1
277.18127	3.1
291.19543	100.0
309.20715	5.8
309.24222	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	309.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46776	1.4
53.03950	1.7
55.01879	1.9
55.05504	4.9
57.03444	12.5
61.02916	3.6
66.13509	1.3
67.05503	4.1
69.03424	5.6
69.07069	1.7
70.62808	4.3
71.01360	1.8
71.04997	23.8
73.02905	5.2
75.04480	9.8
79.05497	4.5
81.03420	2.6
81.07048	4.2
83.05013	8.1
83.08624	1.7
85.02911	100.0
87.04481	2.6
91.05476	3.5
93.07049	3.2
95.05002	2.5
95.08611	6.7
96.32318	1.3
96.78394	1.3
97.02898	5.2
97.10161	1.7
99.04471	2.7
103.03960	2.7
105.07030	4.6
107.08623	3.2
109.02860	2.0
109.10142	2.6
111.04444	4.9
119.08590	4.0
121.06510	1.4
121.10146	2.7
127.03918	4.3
129.05502	18.4
131.08586	2.1
133.10138	2.1
143.08554	2.0
145.10165	3.2
147.04463	2.1
147.06522	14.0
157.10162	2.6
161.13319	2.2
163.14874	1.9
171.06396	1.5
173.13293	1.8
175.14937	1.7
181.10147	1.6
183.11760	1.7
194.31360	1.8
195.11496	1.6
211.14886	1.4
248.44397	1.5
291.19650	3.3
303.45493	1.5
309.21719	4.2
309.25790	6.1
321.38251	1.5
322.58734	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	309.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	8.3
55.01865	7.1
55.05517	22.2
57.03447	21.8
59.04996	2.2
61.02935	2.3
65.08342	2.3
67.05508	25.6
69.03418	9.2
69.07060	9.5
69.85110	10.6
70.06599	2.9
71.01334	3.1
71.05005	27.7
71.21612	1.9
71.74269	2.2
72.08152	8.8
73.02906	6.9
75.04489	10.8
79.05068	3.4
79.05499	41.6
81.03412	10.1
81.07072	41.0
83.04993	16.7
83.08589	6.9
85.02916	100.0
85.06538	4.9
87.04497	3.0
91.05478	23.7
93.06155	3.1
93.07051	46.2
95.04984	15.5
95.08616	19.6
97.02876	6.0
97.06538	11.8
97.10180	11.0
105.07054	16.1
107.04956	6.3
107.08605	19.0
109.02947	3.3
109.06523	15.5
109.10132	8.1
111.04449	8.6
111.08080	3.1
111.80498	2.2
113.06013	6.4
117.06995	7.0
118.08650	2.5
119.08616	14.0
121.06509	3.8
121.10153	15.2
123.04421	3.0
123.08074	11.7
123.11752	2.8
125.09622	9.6
127.03913	4.4
129.05502	18.9
129.06963	4.0
130.68129	2.3
131.08562	6.6
133.10176	11.2
135.08098	4.3
135.11694	3.8
137.09688	2.7
143.08577	2.6
145.10126	6.2
147.04399	6.2
147.06517	10.5
147.11694	6.6
149.09592	3.6
149.13246	4.2
151.11209	4.6
155.08623	2.9
157.10121	7.7
159.11699	6.5
161.09641	5.9
169.10107	2.7
171.11667	4.7
173.13202	2.4
175.11215	3.1
189.11223	3.9
199.14732	2.6
217.15950	3.5
255.17369	2.9
264.19730	2.9
273.18518	11.7
284.83951	2.6
291.19562	22.6
309.20886	12.4
309.25586	4.5
329.18372	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	308.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	14.0
55.01858	6.8
55.05516	77.9
56.05044	3.2
57.03430	8.9
57.07064	4.0
59.04997	3.0
65.03922	7.2
67.05510	60.7
68.05036	2.3
68.05817	7.0
69.03445	3.0
69.07073	92.7
70.40740	8.5
79.05499	100.0
80.05011	13.2
80.05808	6.4
80.06286	2.9
81.03412	2.9
81.06597	2.9
81.07061	52.0
82.06574	8.2
82.07375	5.9
83.04963	7.3
83.08624	30.7
84.08133	2.7
91.05484	41.4
92.05011	21.5
92.05508	2.9
92.05820	3.2
93.05799	18.1
93.07050	58.2
94.06580	15.7
94.07374	4.7
95.04950	9.8
95.08616	25.8
96.08963	4.3
97.10178	34.4
98.06053	6.3
103.05450	5.9
105.04485	5.2
105.07050	19.6
106.06567	36.8
107.07371	5.0
107.08589	21.5
108.08112	4.9
109.10155	12.2
110.10526	3.4
115.05450	3.7
117.07021	15.2
118.06538	11.5
119.07320	5.9
119.08576	5.1
120.08094	17.7
120.08886	3.7
121.08883	2.8
121.10165	21.5
122.10502	2.8
124.11239	2.8
125.09615	29.9
129.06978	4.5
131.08589	25.7
132.08069	6.0
133.08896	4.3
133.10115	5.8
134.09654	7.2
135.11737	5.4
138.12776	5.1
143.10626	3.1
146.09627	5.2
148.11214	85.7
158.09660	3.4
159.11661	13.4
162.12720	2.5
176.14348	33.5
184.70630	2.4
186.12752	7.2
204.13869	32.9
212.34312	2.3
222.14906	35.2
226.36108	2.7
241.62735	2.9
272.20059	3.7
290.21143	80.8
308.22635	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2223
Annotation	2-(4-Hydroxyphenyl)-1-nitroethane
Peak:m/z	Relative Intensity
50.16480	1.6
51.02380	2.0
53.03939	9.4
55.01863	6.5
55.05517	70.9
56.05037	2.4
57.03434	3.9
57.07070	3.2
59.05017	2.4
65.03934	5.1
67.05508	42.1
68.05024	2.2
68.05847	3.0
69.03425	4.0
69.07076	47.7
70.06598	1.5
70.07378	1.4
71.04967	2.0
77.03932	2.0
79.05498	100.0
80.05027	11.5
80.05812	3.9
81.03408	1.7
81.07063	31.3
82.06586	16.3
82.07335	2.8
83.04983	5.1
83.08625	24.9
84.08158	2.9
85.06545	3.0
91.05486	40.0
92.05021	11.4
92.05820	1.5
93.05830	6.6
93.07050	60.9
94.06579	9.2
94.07378	2.8
95.04990	8.7
95.08610	12.5
96.04485	3.1
97.06508	2.5
97.10181	38.8
98.06070	1.9
103.05465	3.1
105.04513	4.0
105.07040	15.6
106.06557	22.1
107.07358	3.9
107.08595	20.2
108.08112	4.1
108.08852	2.1
109.06531	2.2
109.10151	3.5
110.06065	1.7
110.06893	1.6
116.06239	1.8
117.07018	9.3
118.06566	9.4
119.07339	3.3
119.08609	7.5
120.08119	11.8
120.08881	2.7
121.10161	14.4
122.06033	1.6
122.09707	1.7
122.10495	1.8
123.08061	3.8
125.09634	31.0
129.07008	3.2
131.08556	14.6
132.08081	6.4
132.08969	2.1
133.08865	2.8
133.10098	4.2
134.09642	5.3
135.11688	3.4
138.12785	2.0
143.10672	4.0
146.09636	5.3
147.10426	2.1
147.11600	1.6
148.11217	57.9
149.13278	2.8
159.11702	5.7
160.11096	1.8
162.12680	1.5
169.10100	1.8
176.14374	15.0
186.12752	2.2
204.13855	15.5
222.14868	17.1
244.16876	1.5
249.09178	3.0
262.17999	1.8
272.20032	4.1
276.20615	2.6
290.21170	37.9
305.04654	1.6
308.22614	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	308.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.1
55.01869	5.7
55.05517	22.0
56.05848	3.5
57.03434	9.3
65.03935	8.0
65.68286	2.0
65.93996	2.1
67.05512	100.0
68.05833	10.1
69.07076	79.9
69.63109	3.8
69.63521	9.5
70.07359	2.3
71.04983	5.6
79.05499	51.5
80.05038	13.9
80.05823	6.3
81.03405	2.6
81.06591	4.7
81.07066	84.3
81.19270	2.5
82.06591	2.6
82.07395	10.1
83.04974	5.0
83.08631	9.5
84.04478	2.8
84.08147	4.5
85.06535	5.5
91.05492	35.9
92.04988	6.7
92.05818	4.3
93.05811	4.1
93.07051	66.2
94.06580	9.8
94.07384	10.4
95.04965	6.4
95.08069	3.0
95.08613	38.3
96.04479	4.7
96.08099	4.5
96.08956	7.5
97.06541	3.3
97.10128	3.7
98.06048	5.1
105.07043	25.4
106.06582	11.4
106.07355	2.1
107.08601	24.1
108.08131	3.5
109.06516	5.4
109.10182	13.4
110.09647	2.7
110.10466	4.0
115.05473	3.5
117.07032	14.1
118.06547	3.1
119.08567	6.2
120.08186	10.9
120.08907	3.6
121.06544	2.7
121.10156	13.6
122.09660	3.9
122.10475	5.3
123.08103	2.6
129.06976	2.0
131.08594	11.9
132.08020	2.5
132.08904	4.2
133.10132	16.6
134.09654	9.7
135.08084	4.3
135.11702	18.9
137.05984	3.3
145.10110	6.3
147.11740	4.1
148.11237	9.3
149.09601	2.7
149.13249	12.0
151.11159	3.2
159.11728	12.7
176.14377	28.6
177.12808	4.6
194.08240	2.4
194.15392	4.1
204.13867	10.0
222.14917	28.9
244.16502	2.3
249.09131	5.3
290.21164	56.5
291.19308	3.8
308.23337	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14922	1.0
52.98251	0.9
55.05501	4.0
58.06582	1.7
59.83916	1.0
60.18316	1.0
67.05535	1.1
70.06588	8.1
70.12609	2.1
70.12998	2.1
72.08163	25.1
76.02232	1.2
83.04997	2.4
84.04506	3.4
84.08152	15.8
85.02900	1.5
86.09707	5.6
87.09247	1.6
93.07029	2.8
95.05943	1.0
96.00132	1.0
98.21380	1.2
99.06834	1.2
103.05447	3.7
107.04955	2.1
111.04433	3.7
112.08717	1.1
112.11256	5.1
115.08704	55.8
120.08116	100.0
123.04425	3.9
129.10240	4.2
129.13846	1.6
131.04897	2.5
131.06822	2.0
133.04807	1.4
143.08174	35.3
147.04436	3.0
148.04721	3.2
149.06015	1.5
163.03888	2.1
166.08653	63.3
175.08720	1.3
177.10167	1.3
212.08095	1.5
237.12306	11.5
265.04871	1.3
273.12399	1.0
278.16919	1.5
292.18332	1.2
326.10205	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	308.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04249	0.2
62.54552	0.2
64.39518	0.2
69.82191	1.3
71.59592	0.2
81.07046	0.3
86.06065	3.1
86.97231	0.2
89.75549	0.2
111.25230	0.2
146.01797	0.2
149.30862	0.2
165.06993	0.6
177.06964	0.4
178.07791	3.5
179.08562	0.8
189.06964	1.5
190.07780	4.8
191.08559	40.4
192.09070	0.4
193.10144	3.3
201.06975	1.2
202.07755	2.7
203.08574	4.8
205.06479	1.0
206.07283	0.4
207.08061	1.5
218.07280	0.6
218.09651	0.6
219.08058	29.9
220.08459	0.3
221.05962	0.4
221.09604	1.5
222.06807	0.3
229.07597	3.2
230.07088	0.2
231.07925	1.1
232.08739	0.5
234.06804	0.3
236.10681	1.9
245.31989	0.2
247.07645	0.5
248.08371	0.6
249.09111	100.0
250.09462	1.0
266.11765	2.9
278.11707	0.7
291.10052	0.3
296.71338	0.2
308.12805	8.7
308.23016	0.3
315.87006	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25698	0.5
51.45173	0.5
55.05503	0.9
57.03448	0.7
58.99581	0.9
67.05504	1.6
68.05035	0.8
69.03446	0.8
69.07074	0.8
69.69865	2.6
70.06598	2.4
71.05003	92.8
71.08636	0.5
72.08171	3.4
76.02232	3.0
79.05531	0.8
81.07069	3.8
83.04993	0.9
83.06108	0.5
83.26470	0.5
84.04519	1.9
84.08151	4.0
86.09715	1.1
88.03970	0.6
91.05499	1.1
93.07059	1.2
95.06106	16.4
95.08627	0.5
98.21508	0.7
105.07084	0.6
107.06076	0.6
107.08605	1.1
109.10168	1.2
112.08748	2.7
121.06524	0.7
121.10168	0.6
122.02730	1.5
123.11708	0.6
129.07071	0.6
130.05042	0.8
133.10120	1.1
145.10121	0.8
147.49077	0.6
151.12315	0.9
162.02237	1.0
163.12349	2.6
167.10594	0.6
175.12305	4.9
177.99564	1.0
179.04900	1.4
181.13400	0.7
192.01172	1.3
192.15022	0.7
192.99615	1.6
193.13361	10.0
210.02220	18.9
210.16052	3.8
212.22804	0.5
220.08395	0.6
238.01717	28.8
262.05283	3.1
265.08139	0.9
266.86957	0.5
280.06320	1.3
290.04739	0.7
290.14093	0.6
290.22217	1.5
308.05917	100.0
308.19724	1.0
308.23328	16.6
309.06192	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.263
Annotation	(E,E,E)-2,6,10,14-Tetramethyl-3,6,10,15-hexadecatetraene-2,14-diol
Peak:m/z	Relative Intensity
51.10868	2.3
51.53886	2.2
53.03937	8.5
55.01882	14.6
55.05514	45.3
57.03442	18.3
57.07063	7.2
59.04983	7.1
63.66024	2.3
65.03926	3.3
67.05507	75.0
69.03419	11.9
69.06733	3.2
69.07069	38.7
70.06573	3.5
71.04985	17.6
71.08630	6.2
72.08147	4.3
77.61109	2.4
79.05498	63.7
81.03404	12.6
81.07062	100.0
83.01337	4.0
83.04993	21.4
83.08619	23.2
84.08150	3.1
85.06544	8.6
91.05485	48.7
93.06488	3.9
93.07051	67.5
95.04991	23.7
95.08611	79.9
97.06545	20.1
97.10177	24.0
98.21533	7.5
98.98460	4.7
99.04435	3.5
99.08103	5.2
100.78081	2.5
103.03884	2.5
103.05441	2.9
105.07032	43.6
107.04955	31.7
107.08598	63.5
109.02877	3.1
109.06523	33.3
109.09473	3.7
109.10159	43.4
111.04458	8.4
111.08070	5.8
111.11716	3.7
115.05446	3.9
117.07017	17.7
119.04953	2.3
119.08591	35.8
121.02854	5.7
121.06509	37.4
121.10149	37.3
123.04411	3.5
123.08091	15.8
123.11724	16.7
125.05955	2.8
125.09621	17.6
127.11185	6.7
129.05473	4.2
129.07011	9.8
131.08585	19.3
133.06499	5.3
133.10155	36.3
135.08060	19.7
135.11696	22.7
137.05989	3.9
137.09581	6.1
137.13258	6.0
139.07582	3.1
139.11188	5.1
141.07005	4.3
143.08548	9.3
143.10640	4.6
145.06500	4.6
145.10110	25.5
147.08089	5.3
147.11725	15.9
149.05978	6.3
149.09618	11.1
149.13264	25.9
151.11209	3.0
151.14796	4.3
155.08551	7.3
157.10139	7.3
159.08052	7.2
159.11702	17.3
161.09650	4.6
161.13274	10.6
163.07550	48.0
163.11205	13.6
163.14841	7.1
167.08612	3.6
168.70032	2.5
169.10138	7.5
171.08020	3.5
171.11719	6.3
173.09631	6.1
173.13264	11.4
175.14851	7.2
177.09081	6.1
177.12715	4.1
181.10231	2.7
183.11682	4.0
185.09529	3.0
185.13260	2.8
187.11154	6.8
187.14815	6.3
189.11259	4.4
189.16359	4.7
191.10677	3.4
191.14221	4.7
191.17953	4.7
193.10185	4.3
195.11603	3.1
197.13242	3.8
199.14818	3.4
201.12828	5.0
201.16373	5.5
203.12717	3.0
203.17978	7.1
205.19524	8.1
207.11671	8.1
209.13316	5.0
211.14743	4.5
215.14331	3.2
215.17946	14.2
217.19534	3.1
219.13803	23.1
222.14059	4.4
225.16362	3.7
233.15363	14.2
233.18884	4.2
237.14789	7.8
239.14189	3.1
241.14360	2.7
243.17607	3.2
257.19009	4.5
261.18472	8.2
271.16968	8.9
271.24152	7.1
275.20068	29.0
289.15030	4.0
289.18008	64.8
289.25095	14.9
307.15802	3.5
307.19342	31.0
307.22784	14.1
307.26392	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	307.2633
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
53.03939	6.0
55.01868	4.6
55.05517	32.7
56.55848	2.4
57.03432	11.1
57.07077	8.1
59.05001	8.2
67.05511	72.6
69.07071	36.4
69.17243	4.9
69.17641	20.2
70.21168	2.4
71.04998	9.9
71.08649	2.7
71.98239	2.4
72.04521	32.4
75.11762	2.1
79.05498	46.4
80.25256	2.1
81.03446	4.8
81.07062	90.4
83.05003	5.8
83.08619	18.3
85.06562	4.0
89.49318	2.2
91.05490	29.0
93.07047	71.6
95.04983	25.8
95.08613	100.0
97.06527	11.0
97.10170	14.1
99.08085	6.6
100.84585	2.6
105.07040	25.9
107.04961	8.6
107.08590	43.1
109.06538	6.7
109.10162	49.2
111.08076	3.6
111.11732	4.4
114.09186	3.3
117.07048	6.2
119.08595	27.1
121.06532	3.6
121.10154	37.4
123.11707	22.6
125.09639	7.0
127.11201	9.2
131.08585	10.9
133.10136	18.4
135.08058	9.2
135.11705	23.8
137.05957	2.7
137.09644	3.6
137.13275	7.3
137.18648	2.6
139.11171	5.6
143.10696	9.2
145.10146	14.2
147.11694	14.5
149.09633	4.4
149.13272	26.6
151.11218	7.3
151.14839	8.3
159.11687	8.7
161.13315	12.6
163.14822	9.3
173.13289	7.2
175.14915	5.0
177.12778	3.8
177.16431	4.5
179.14372	3.2
187.14783	6.0
189.16301	3.2
191.17990	6.7
201.16479	4.3
203.17921	20.1
205.19560	12.4
207.14072	3.0
215.18001	8.0
217.14391	3.3
217.19449	4.4
221.20775	2.8
231.21086	5.2
245.22647	2.9
271.24295	11.3
275.20047	17.8
289.22150	3.8
289.25281	17.8
307.22800	44.5
307.26352	8.8
308.29407	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2632
Annotation	(E,E,E)-2,6,10,14-Tetramethyl-3,6,10,15-hexadecatetraene-2,14-diol
Peak:m/z	Relative Intensity
55.05513	29.2
55.69191	3.0
57.03440	5.8
57.07068	12.6
59.05015	19.1
63.33693	3.0
67.05507	36.6
69.03410	4.6
69.07069	31.6
69.43653	23.9
71.04983	12.0
71.08662	3.5
79.05499	26.1
80.08971	3.5
81.07062	90.7
83.04958	7.0
83.08615	13.2
85.06563	3.6
88.07629	8.0
91.05486	19.0
93.07055	52.1
95.04956	4.2
95.08609	100.0
97.06528	7.8
97.10166	16.0
98.75826	3.5
99.08099	4.0
105.07047	28.8
106.91585	3.1
107.08611	58.3
109.06459	6.9
109.10161	73.4
111.08067	4.8
111.11721	6.5
119.08606	30.4
121.06557	5.2
121.10142	40.5
123.08076	4.7
123.11716	36.4
125.09634	14.0
127.11187	14.7
131.08563	9.1
133.10121	19.3
135.11702	26.1
137.09616	4.9
137.13266	9.9
139.11197	3.8
143.10674	10.5
145.10155	9.4
146.94954	3.6
147.11720	25.7
149.13277	43.6
151.14859	19.5
159.11717	11.4
161.13286	17.8
163.14799	15.4
173.13319	6.8
175.14830	10.1
177.16357	5.8
179.14455	4.9
187.14835	8.3
189.16406	5.1
191.17996	6.6
201.16446	9.0
203.17961	34.5
205.19524	23.3
215.17982	6.3
215.22021	4.3
217.19579	9.9
225.15865	3.6
231.20975	3.5
259.24536	3.9
271.24203	21.8
289.17969	9.2
289.25250	29.3
306.94507	3.5
307.26877	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2631
Annotation	(E,E,E)-2,6,10,14-Tetramethyl-3,6,10,15-hexadecatetraene-2,14-diol
Peak:m/z	Relative Intensity
55.05507	21.9
57.03419	3.2
57.07062	6.5
59.04981	5.2
67.05507	28.5
69.03384	3.4
69.07077	26.0
71.01350	3.0
71.04960	5.1
79.05491	18.9
81.07064	85.3
83.04956	4.8
83.08628	16.4
85.06496	5.7
91.05482	16.8
93.07065	41.2
95.04934	4.2
95.08615	97.6
97.06464	5.1
97.10114	13.1
98.21566	9.1
99.04469	3.5
105.07028	35.9
107.08611	39.7
109.10168	61.0
111.08012	8.8
111.11656	7.5
117.06956	8.2
119.08585	32.9
121.10155	33.5
123.11711	29.4
125.09601	4.0
127.11092	6.8
129.06929	3.3
131.08498	11.7
133.10158	21.0
135.11702	24.2
137.13272	13.2
139.11142	6.5
142.07707	4.9
143.08585	15.2
143.10588	3.5
145.10110	14.7
147.11690	15.9
149.13268	33.1
151.14734	7.4
155.08504	7.6
156.09248	3.7
157.10132	13.3
159.11674	19.2
161.13246	17.9
163.14745	11.6
165.12679	4.8
169.10017	10.0
171.11711	14.0
173.13190	12.3
175.14737	12.0
177.16393	3.6
179.08446	2.7
181.10078	7.1
182.10707	4.0
183.11681	13.6
185.13118	9.1
187.14729	8.6
189.16246	7.3
191.17812	6.1
195.11620	14.5
197.13287	14.6
199.14717	11.8
201.16234	8.1
203.17955	14.0
205.19385	7.9
209.13231	14.6
211.14636	8.8
215.17839	4.5
217.19308	4.5
219.17384	3.4
221.12982	3.9
223.14635	8.1
224.15215	3.3
225.16278	4.0
229.54189	3.2
231.20906	8.0
237.16202	12.2
251.17792	11.8
265.19412	4.9
271.16907	3.5
271.24170	18.4
289.17728	6.6
289.25284	44.6
307.18805	6.0
307.23917	100.0
308.24231	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	307.2632
Annotation	(E,E,E)-2,6,10,14-Tetramethyl-3,6,10,15-hexadecatetraene-2,14-diol
Peak:m/z	Relative Intensity
53.03941	1.4
55.01851	1.1
55.05272	1.2
55.05514	22.8
57.03434	1.8
57.07081	8.0
59.04760	1.0
59.05006	11.7
65.03938	1.2
67.05511	29.0
69.03436	1.4
69.07073	27.6
70.44660	1.0
71.04997	11.9
71.08628	2.9
73.06559	1.4
79.05492	13.9
79.05924	1.8
81.07062	81.7
83.04971	2.2
83.08627	15.3
85.06533	5.1
91.05489	10.8
93.07049	41.7
93.07642	2.0
95.04949	2.4
95.08615	100.0
97.06537	10.6
97.10172	15.1
99.08098	4.4
101.11160	1.0
105.07043	22.7
107.08603	52.9
108.77453	1.0
109.06544	2.4
109.10163	69.1
111.08055	2.4
111.11734	7.2
113.09653	2.2
115.07558	4.1
117.07016	1.5
119.08590	25.2
121.10160	37.1
123.08082	2.1
123.11712	33.2
125.09639	11.5
127.07561	1.2
127.11199	15.8
131.08583	3.6
133.10132	18.2
135.11703	26.3
137.09593	2.0
137.13254	9.0
139.11209	6.2
139.12112	1.1
141.09120	2.3
143.10680	11.9
145.10141	8.2
147.10535	1.2
147.11697	21.3
148.12163	1.0
149.13266	44.5
151.11176	4.0
151.14822	14.9
153.12737	1.5
153.23543	1.2
159.11705	8.9
160.12424	1.2
161.13277	18.3
163.14830	16.7
165.12813	2.9
165.16429	1.2
167.14284	1.5
173.13297	7.6
175.14853	9.8
177.16464	5.3
179.14334	3.5
187.14830	6.4
189.16371	5.5
191.17967	7.6
193.15860	1.3
193.19524	1.5
201.16399	10.7
203.17970	33.1
205.19547	16.0
207.17526	1.4
215.17964	5.2
217.19508	10.6
219.17438	1.5
219.21085	1.3
229.19417	1.5
231.21132	8.4
233.18962	1.1
245.22632	2.3
261.25803	2.2
271.24249	25.6
289.25262	29.4
307.26389	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	307.2634
Annotation	(E,E,E)-2,6,10,14-Tetramethyl-3,6,10,15-hexadecatetraene-2,14-diol
Peak:m/z	Relative Intensity
53.03948	3.8
54.55367	2.1
55.01859	2.3
55.05510	19.9
57.03442	4.5
57.07060	8.3
59.04993	7.2
65.03951	1.8
67.05177	3.2
67.05509	37.0
69.07067	25.6
70.06598	2.1
71.04987	9.5
71.08632	3.2
72.08149	3.3
76.02203	2.8
77.35410	2.0
78.03283	2.1
79.05499	18.8
81.06591	4.5
81.07059	75.0
83.04970	5.0
83.08631	13.4
84.04464	2.6
84.08166	2.9
85.06538	6.2
91.05492	16.9
93.07051	36.6
95.04969	5.6
95.08612	100.0
97.06537	8.5
97.10185	11.0
98.98463	3.4
99.08072	4.6
103.66270	2.0
105.07042	23.1
106.07375	2.1
107.04964	4.4
107.08601	39.9
109.06515	7.3
109.10165	69.8
111.08083	3.6
111.11713	2.4
113.05988	2.8
117.07048	4.9
117.32417	2.6
119.08596	24.1
121.06470	3.6
121.10145	29.7
123.08021	4.9
123.11712	25.2
123.93063	2.2
125.09600	10.1
127.11193	6.5
131.08537	5.8
133.10139	17.9
135.08067	3.2
135.11696	21.7
137.05914	4.1
137.09636	2.7
137.13219	9.6
139.11188	4.3
143.08505	2.3
143.10703	7.7
145.10126	9.1
147.08080	4.7
147.11661	19.0
149.13268	28.8
151.11168	4.3
151.14798	10.9
153.12756	4.3
159.11705	8.9
161.13280	11.1
163.11162	3.0
163.14824	11.1
165.12825	2.5
165.38023	2.2
169.10144	2.6
173.09628	2.8
173.13248	4.8
175.14824	6.6
179.14401	2.8
185.13179	2.3
187.14796	6.3
191.17912	3.3
193.15947	2.3
201.16338	7.3
203.17943	16.9
205.19601	12.1
215.17934	3.0
217.19487	4.8
219.17418	3.5
231.21051	5.8
235.05066	2.0
245.23091	2.4
271.17020	5.5
271.24170	17.6
289.18030	16.6
289.25269	18.5
307.00336	3.9
307.19421	8.1
307.26443	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	307.263
Annotation	(E,E,E)-2,6,10,14-Tetramethyl-3,6,10,15-hexadecatetraene-2,14-diol
Peak:m/z	Relative Intensity
53.03917	4.0
55.05510	22.5
57.07036	8.7
59.04980	3.5
62.20877	2.6
67.05504	32.0
68.10947	2.3
69.03406	5.2
69.07070	30.1
70.81356	5.6
71.04956	7.3
79.05496	15.5
79.05841	3.2
81.07059	89.4
83.08641	17.0
83.09032	4.5
85.02894	3.2
91.05493	22.2
93.07053	35.8
95.08612	100.0
95.09175	4.2
97.06503	4.3
97.10106	12.1
105.07034	30.8
107.08606	46.7
109.06511	4.1
109.10164	66.3
111.08006	9.6
111.11644	5.5
117.06988	6.0
119.08578	27.2
121.10156	34.3
123.11700	34.5
125.09548	6.3
127.11146	5.5
129.06950	4.3
131.08492	9.5
133.10126	17.2
135.11668	25.8
137.13138	8.8
139.11098	4.7
141.06973	4.2
143.08469	10.3
143.10603	7.5
145.10150	15.0
147.11711	13.1
149.13268	33.1
151.11046	4.2
151.14844	13.8
153.06967	3.2
153.12668	3.5
155.08508	7.3
157.10019	11.9
159.11703	16.7
161.13272	18.0
163.14717	11.9
165.12672	3.7
168.74661	3.3
169.10023	10.5
171.11517	8.6
173.13103	10.5
175.14659	9.4
177.16290	5.4
179.08498	4.4
181.09995	7.9
182.10840	4.6
183.11650	14.0
185.13170	10.9
187.14799	6.5
189.16231	7.9
191.17856	5.1
193.15726	2.5
194.10754	3.7
195.11739	14.2
197.13336	13.3
199.14677	5.4
201.16222	7.9
203.08536	2.8
203.17964	15.0
205.19385	8.7
207.17300	3.7
209.13297	17.6
211.14700	9.7
213.16255	3.8
215.17828	6.7
217.19389	5.5
219.17262	3.5
223.14635	8.9
225.16147	5.6
231.20941	9.0
233.18893	4.0
235.14645	3.7
237.16370	14.2
242.81050	2.6
249.16061	2.7
251.17889	16.6
265.19229	4.4
271.16730	5.2
271.24216	19.4
279.20798	2.7
289.17804	7.5
289.25299	42.2
307.18896	7.1
307.23892	98.9
307.26819	6.7
328.83929	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	307.2269
Annotation	Litseakolide B
Peak:m/z	Relative Intensity
53.03951	6.5
55.01873	1.5
55.05280	1.5
55.05517	24.0
57.03439	30.8
57.07066	2.6
57.80131	1.1
60.51568	1.2
65.03938	3.8
67.05508	100.0
69.06741	1.3
69.07073	17.2
71.04984	2.7
79.05495	66.3
81.03430	1.4
81.07061	82.5
82.07426	1.6
83.04966	3.7
83.08625	8.3
85.06544	2.7
86.14198	1.3
91.05485	31.4
93.07049	67.2
95.04956	5.2
95.08613	50.5
97.06518	3.3
98.21513	3.1
99.08107	3.4
105.04510	2.4
105.07040	17.7
107.08607	22.7
109.06531	3.9
109.10155	25.7
110.31709	1.1
111.08030	1.2
117.07040	6.0
119.08585	13.0
121.09329	2.3
121.10147	30.8
123.08094	1.8
123.11726	7.3
125.09682	1.8
131.08582	11.0
133.10149	13.6
135.08084	1.8
135.11696	15.7
137.09634	2.1
137.13263	2.7
144.54123	1.2
145.10136	9.0
147.11725	6.4
149.09628	1.8
149.13277	7.5
151.11119	1.9
159.11700	7.4
163.11241	1.6
173.13251	3.5
177.12869	2.2
185.63033	1.1
187.14818	2.3
191.18007	1.2
215.17944	8.3
233.19032	4.7
307.22702	89.9
307.28409	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	307.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.4
55.01867	13.7
55.05273	5.0
55.05518	78.2
57.03440	10.3
57.07084	3.9
67.05182	4.9
67.05516	69.8
69.03437	5.6
69.07075	23.6
69.49463	26.9
75.47639	3.2
77.65377	3.1
79.05500	100.0
81.07074	54.8
83.05000	22.1
83.08627	27.6
85.06564	4.5
87.91266	3.2
91.05486	42.3
92.66753	3.2
93.07057	65.8
94.99445	3.3
95.04985	11.1
95.08630	26.4
96.70831	3.4
97.06533	8.4
97.09564	4.7
97.10179	53.7
105.07043	44.6
107.04969	39.5
107.08605	73.3
109.06518	6.7
109.10165	26.5
111.08102	5.5
115.05403	3.6
117.07021	15.6
119.08583	20.9
121.10186	25.0
123.11727	10.5
125.09636	71.7
131.08600	12.6
133.10170	22.4
135.08063	24.7
135.11694	10.6
137.05876	4.2
145.10165	11.2
147.11687	12.7
149.09636	81.9
153.09105	18.7
155.10638	4.5
157.33430	3.8
159.11723	10.2
161.13234	7.3
163.11142	4.6
169.12238	4.6
171.11676	6.1
173.11838	6.4
173.13347	9.3
179.14368	4.3
187.13266	4.2
191.14348	4.1
203.12836	52.7
229.19557	5.1
239.17714	3.8
243.12350	3.7
247.20448	4.2
257.18985	9.6
275.20084	59.8
307.22836	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.227
Annotation	Litseakolide B
Peak:m/z	Relative Intensity
53.03938	5.2
55.01872	3.1
55.05520	25.8
55.30690	2.6
57.03444	29.0
57.07081	3.1
65.03913	3.6
67.05511	100.0
69.07070	19.1
71.04993	2.3
71.09460	2.0
71.69201	1.7
77.03926	2.2
78.37574	2.0
79.05502	63.5
81.03400	2.4
81.07068	81.5
83.04981	3.0
83.08649	9.4
85.06570	3.6
91.05488	33.6
93.07053	69.5
93.07645	3.7
95.04974	6.7
95.08615	60.5
97.06535	3.8
97.10170	2.4
97.92946	2.2
98.21526	4.3
99.08105	2.7
105.07045	16.1
107.08605	22.5
109.06536	3.7
109.10175	31.0
111.08134	2.8
117.07034	7.4
119.08601	15.0
119.48714	2.1
121.02895	2.0
121.10165	33.3
123.08119	2.5
123.11677	9.2
125.09657	2.2
131.08554	13.1
133.10098	11.2
135.11711	14.4
137.13264	2.8
145.10110	11.4
147.11703	5.3
149.13268	6.4
159.11719	7.6
161.13354	2.0
173.13292	5.5
187.14827	2.1
193.02205	2.0
215.17998	9.9
218.15469	2.0
233.19014	4.6
239.21982	1.6
260.69409	1.9
307.22708	90.1
307.28363	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	307.2268
Annotation	Litseakolide B
Peak:m/z	Relative Intensity
50.41932	0.8
51.02375	1.2
53.03954	5.8
55.01877	2.1
55.05513	26.4
57.03442	29.6
57.07061	2.3
60.99432	0.7
65.03937	2.7
66.04720	1.0
67.05506	100.0
68.32744	0.8
69.07069	16.5
69.27318	6.7
69.27726	1.4
71.04974	2.2
71.90438	0.9
77.03919	1.3
77.28982	0.8
79.05497	72.1
81.03416	1.6
81.07057	78.5
83.04971	2.4
83.08632	8.1
85.06530	2.5
91.04913	1.0
91.05487	32.3
93.07047	67.3
94.57087	0.9
95.04990	5.8
95.08609	56.4
97.06512	2.5
97.10181	1.4
98.21648	0.8
99.08100	3.3
103.05468	0.8
104.06245	0.8
105.04518	3.2
105.07031	18.0
107.04958	1.0
107.08597	23.5
109.06520	3.1
109.10159	25.0
111.08067	2.1
115.05425	1.1
117.07014	7.9
119.08575	12.1
121.10148	28.1
123.08047	2.3
123.11710	8.9
125.09625	1.4
129.05505	2.3
130.07735	1.0
131.08556	10.6
133.10133	11.3
135.11702	15.0
137.09592	1.9
137.13258	1.6
138.06213	1.2
138.44405	0.9
143.08633	0.9
145.10124	11.3
147.11696	5.3
149.09666	2.4
149.13272	6.5
151.11133	1.8
159.11679	8.2
161.13287	1.1
163.11220	0.8
173.13274	5.5
177.12752	1.4
182.24072	0.9
187.14787	1.0
191.18092	0.9
215.17924	10.0
233.19017	2.7
234.67914	0.8
307.22693	87.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2268
Annotation	Litseakolide B
Peak:m/z	Relative Intensity
51.02363	1.3
53.03949	6.3
55.01865	3.1
55.05512	30.3
57.03441	32.1
57.07061	3.4
65.03927	4.9
65.34351	1.2
67.05507	100.0
69.03413	2.3
69.06731	1.8
69.07075	19.7
69.14751	9.6
69.15162	2.8
71.04980	3.1
75.51917	1.2
77.03912	2.4
79.05495	78.5
80.05818	1.6
80.06261	1.4
81.03426	1.7
81.07059	82.4
82.07391	1.3
83.04970	3.9
83.08624	9.6
85.06537	2.9
91.05483	32.9
93.07048	72.6
95.04973	8.9
95.08609	58.0
97.06514	3.7
97.10175	4.4
98.21479	2.3
99.08073	2.7
105.04500	2.1
105.07037	22.8
107.08601	22.6
108.40591	1.3
109.06530	7.9
109.10162	23.5
111.08071	2.4
117.07015	9.5
119.08584	15.6
121.06492	1.6
121.09334	2.1
121.10150	30.5
123.08050	2.4
123.11728	9.2
125.09641	3.1
129.05482	2.5
131.08560	14.6
133.10144	11.5
135.08051	1.9
135.11702	13.5
137.06009	2.4
137.09608	2.8
139.11137	1.3
145.10127	11.3
147.11671	6.1
148.11235	2.8
149.09628	3.8
149.13261	7.2
151.11188	2.2
159.11646	8.1
161.13295	2.6
163.11163	3.3
163.14822	1.3
165.12781	7.8
173.13239	4.3
187.14745	1.5
191.17964	1.6
206.35788	1.1
215.17950	10.0
233.19064	2.3
253.25026	1.3
275.20081	4.2
289.21741	2.0
290.20981	1.4
307.22690	87.9
308.22894	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	307.2059
Annotation	Callyspongenol B
Peak:m/z	Relative Intensity
53.03939	5.9
55.01870	7.2
55.05513	27.9
55.83992	1.4
57.03441	28.3
57.07072	4.5
58.19451	1.4
59.04991	1.9
59.73583	1.3
65.03935	4.8
66.55067	1.4
67.05508	95.5
69.03426	4.3
69.07071	20.7
71.04980	4.8
71.50629	2.3
73.02916	2.6
79.05496	69.0
81.03448	3.1
81.07060	100.0
83.04965	4.6
83.08173	1.8
83.08601	11.1
84.08134	1.4
85.06527	4.3
86.19965	1.5
87.04465	1.6
91.05484	45.8
93.07046	67.4
95.04977	19.3
95.08610	70.0
97.06525	13.0
97.10159	10.1
99.08083	1.9
103.03942	3.2
105.07039	40.2
107.04955	3.7
107.08601	34.3
107.52968	1.3
109.06522	8.4
109.10154	30.0
111.08083	2.8
115.05439	1.8
117.07019	19.2
119.08584	37.9
121.06483	4.8
121.10152	36.0
123.08053	4.4
123.11731	12.3
125.09625	7.4
128.06201	8.3
129.05492	12.3
129.06989	8.6
130.07799	3.1
131.08560	29.3
133.06493	2.4
133.10139	47.3
135.08052	5.8
135.11691	25.5
137.09622	2.6
137.13283	2.5
139.11194	2.1
141.07008	5.9
142.07809	9.8
143.08574	22.3
144.09346	5.8
145.06499	3.3
145.10121	28.7
147.08018	5.1
147.11719	14.3
147.95232	1.5
149.09602	4.2
149.13271	16.9
151.11234	2.7
153.06963	1.5
154.07794	5.0
155.07178	1.9
155.08546	5.8
156.09349	5.9
157.10100	17.0
157.12125	1.6
158.10899	2.9
159.08063	2.8
159.11688	25.5
161.09622	6.8
161.13298	3.5
163.11142	2.5
165.07037	2.6
165.12766	1.6
167.08592	7.8
168.09373	2.8
169.10110	11.0
170.10918	3.4
171.11678	9.6
173.13300	14.4
175.11232	1.5
179.08533	6.0
180.09311	1.7
181.10120	9.4
182.10916	7.1
183.11748	7.7
184.12434	1.8
185.09595	2.5
185.13281	4.4
187.11183	4.8
187.14879	3.8
189.16376	3.9
191.17963	5.6
192.09380	3.9
193.10190	9.5
194.10922	5.4
195.11635	7.3
196.12424	3.8
197.09541	1.8
197.13309	10.1
199.14798	3.2
203.12781	3.5
205.10150	4.4
205.19614	2.5
206.10893	6.4
207.11703	11.7
208.12398	4.4
209.13309	11.1
211.14944	7.3
215.17976	33.7
217.10143	3.3
217.19435	3.1
218.10956	4.0
219.11679	5.2
220.12482	4.2
221.13306	13.3
222.13947	3.1
223.14845	7.3
225.12845	2.3
227.14412	2.0
231.11737	3.7
232.12511	2.4
233.13300	8.1
233.18973	10.9
234.14011	3.6
235.14906	7.2
236.15565	1.7
237.16397	8.3
239.17851	1.9
245.13246	3.6
246.14032	3.4
247.14828	7.0
248.15598	4.5
249.16449	7.2
251.14336	5.1
251.17888	2.2
259.14838	7.2
260.15332	1.7
261.16339	3.7
263.17944	12.4
265.15820	2.0
274.17139	5.6
275.20154	4.0
277.06870	1.8
279.21085	4.8
289.19608	13.1
307.15341	2.0
307.20142	32.3
307.22720	66.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1907
Annotation	Corrin
Peak:m/z	Relative Intensity
53.03940	9.5
55.01860	12.5
55.05310	3.3
55.05513	36.0
57.03448	20.0
57.03684	3.1
57.07084	3.8
57.96077	3.5
59.04982	6.5
61.96594	5.0
65.03944	3.6
67.05505	49.4
69.03416	10.1
69.07050	15.8
71.04987	7.8
71.49961	4.7
79.05501	58.2
81.03415	9.5
81.07059	56.6
83.04972	13.5
83.08616	14.7
84.08204	4.9
85.06528	5.5
91.05479	39.7
93.07050	59.3
95.04980	36.4
95.08611	41.6
97.06536	9.3
97.10159	16.6
98.98471	4.1
99.08104	4.1
103.05455	6.7
105.07034	47.4
107.04974	21.6
107.08599	28.9
109.02873	3.7
109.06524	17.7
109.10146	24.2
117.07019	12.3
119.08588	45.2
121.02863	8.8
121.06534	23.6
121.10167	30.7
123.04453	3.9
123.08051	7.1
125.02320	6.0
125.09635	13.2
128.06204	7.3
129.07002	10.8
131.04897	4.2
131.08566	26.1
133.06421	5.4
133.10147	24.1
135.08054	12.7
135.11719	13.9
137.05957	6.7
137.09592	6.5
138.06326	4.3
141.06998	7.7
142.07770	8.8
143.08617	20.4
145.06516	11.9
145.10150	20.3
147.08046	16.4
147.11711	10.9
149.05998	21.3
149.09630	8.4
151.07512	5.1
151.11150	6.9
153.09138	4.4
155.01025	5.2
155.08507	8.6
156.09380	5.5
157.06628	4.5
157.10184	18.4
159.08073	23.7
159.11707	15.0
161.09621	11.3
163.07510	6.4
163.11180	15.6
165.07068	4.6
165.09027	5.8
167.08565	6.2
169.10135	13.4
171.11716	10.9
173.09615	7.1
173.13268	13.8
177.09119	5.4
179.08554	8.6
181.10150	10.6
183.11702	9.7
185.09624	11.0
185.13315	5.2
187.11098	5.5
187.14757	5.2
189.11279	6.2
193.10124	13.7
195.11729	17.5
196.12422	4.4
197.13261	10.4
199.14841	11.5
206.10912	7.9
207.11708	10.5
208.12527	4.2
209.13258	10.8
211.14931	6.0
213.12741	6.2
215.14291	9.4
215.17915	5.4
220.12450	5.3
221.13376	8.8
223.14795	13.9
233.13271	8.2
233.15385	8.1
235.14772	6.1
239.17944	8.2
243.17400	10.3
249.16422	7.0
251.14499	8.5
253.15970	5.2
259.14783	4.5
261.18655	4.5
263.17874	5.1
264.06165	30.6
265.16034	5.3
271.17099	20.0
275.20059	7.7
279.21075	8.7
289.17880	70.2
292.05591	27.0
307.07950	100.0
307.11465	3.4
307.20200	64.1
307.23438	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	307.1911
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
51.02362	3.2
53.03952	11.3
55.01873	16.0
55.05519	53.9
57.03445	31.7
57.07079	6.3
57.72598	2.9
59.05006	6.0
65.03938	5.1
67.05181	5.7
67.05516	66.5
69.03432	16.1
69.07076	34.3
70.06609	4.5
71.05007	23.5
71.41782	4.7
79.05495	77.6
81.03420	25.3
81.07069	75.8
83.04982	12.3
83.08635	26.9
83.93612	3.3
85.02908	3.9
85.06545	9.6
87.04466	6.1
91.05489	75.1
93.07053	69.9
95.04983	42.9
95.08616	50.0
97.06529	21.7
97.10191	28.2
98.98466	4.8
99.04481	4.4
99.08088	6.6
103.05495	3.7
105.07042	73.3
107.04975	54.9
107.08610	43.1
109.02866	3.1
109.06537	40.4
109.10160	31.2
111.08087	7.6
113.06013	6.6
117.07018	26.9
119.08591	57.4
121.02906	14.0
121.06516	66.9
121.10149	24.5
123.08086	31.6
123.11709	5.5
125.09653	22.6
127.03915	5.6
128.06235	5.5
129.07024	14.0
131.04964	3.8
131.08601	28.4
133.06551	6.8
133.10139	39.7
135.04408	3.0
135.08073	40.0
135.11693	9.8
137.06001	5.6
137.09599	18.8
139.11147	2.9
141.07004	6.5
143.08594	11.0
145.06517	6.9
145.10127	26.9
147.08049	12.1
147.11711	30.8
149.05899	3.4
149.09641	16.3
149.13300	6.3
151.07585	8.4
151.11214	19.1
153.09146	6.5
155.08597	4.8
157.10127	10.8
159.08078	60.9
159.11681	19.4
161.09639	8.9
161.13261	8.2
163.07565	28.5
163.11220	15.1
165.09146	19.8
165.12779	12.0
169.10150	7.8
171.11714	9.5
173.09642	6.8
173.13284	9.0
175.11163	7.2
175.14876	4.1
177.09146	4.5
177.12712	7.6
181.10176	4.1
183.11711	9.2
185.09589	6.2
187.14792	4.1
189.09297	3.2
189.11246	9.3
189.12772	5.1
191.10600	6.2
191.14310	4.7
193.10258	3.8
194.31653	3.3
195.11745	3.3
197.13342	5.8
199.11174	5.6
201.12814	3.5
205.12201	4.0
209.13254	4.1
211.11140	3.3
211.14839	3.1
213.05418	3.8
215.14392	4.7
215.18001	5.1
217.12209	5.0
218.11092	3.3
219.13857	13.1
225.16385	3.5
229.15968	3.4
229.19514	3.8
233.15402	20.6
235.13162	20.4
237.14835	5.4
239.17995	5.7
243.17540	7.5
247.20639	6.3
253.15884	15.5
257.18991	10.0
261.18622	8.3
271.16928	18.7
271.24243	2.9
275.20102	57.6
289.18008	92.6
289.21368	4.9
289.25012	4.4
307.12057	4.0
307.19089	43.5
307.22714	100.0
307.26303	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	307.169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01875	16.5
55.05514	17.9
55.85095	1.1
57.03438	1.7
57.07083	8.1
58.99591	7.8
61.01138	2.1
62.99083	14.9
67.05515	11.6
69.03410	1.3
69.07076	100.0
69.53409	7.7
70.02958	2.1
70.06592	4.4
71.04996	14.1
72.08147	5.1
73.01151	2.0
74.00670	8.3
76.02223	5.7
76.04005	3.2
79.05492	4.1
81.07055	5.0
83.08604	5.5
84.04057	1.3
84.04517	14.2
84.08161	1.9
85.04041	3.7
86.09707	2.7
86.99054	7.3
87.02705	23.4
87.23439	1.1
88.02229	8.1
91.05474	3.9
92.01693	1.5
93.07041	4.8
95.04951	1.8
95.06136	1.4
95.08590	4.0
97.10167	2.1
98.21511	1.5
99.02704	1.2
101.04243	2.5
105.07082	1.9
107.08580	3.3
109.06563	1.8
109.10167	3.9
111.11723	12.3
112.03978	15.8
112.90170	1.2
113.04198	1.1
116.01691	33.8
117.07029	1.4
119.08557	2.4
120.08107	1.8
121.06498	1.6
121.10128	2.5
122.02718	1.3
130.05016	59.9
131.04558	2.8
133.10136	1.4
135.11711	1.7
143.08907	17.8
144.01158	14.8
145.06088	5.1
145.10071	1.3
146.02756	1.4
159.08342	4.8
160.00627	2.0
161.09949	24.5
162.02220	71.5
167.10696	1.6
169.10443	3.1
174.02226	2.1
177.03305	7.1
179.04834	1.7
186.13170	3.0
187.11511	4.8
191.08157	2.9
210.02090	2.6
238.01695	5.2
272.13193	40.2
289.15686	3.6
289.18423	1.7
290.14224	22.9
291.13959	1.7
307.06244	1.3
307.09467	3.0
307.12808	2.3
307.15982	2.1
307.19305	2.7
308.05942	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	307.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82050	0.5
56.70011	0.4
70.19218	1.8
70.20292	0.5
79.66329	0.4
82.99866	0.7
84.25314	0.5
101.00903	4.0
119.01938	5.1
122.97672	0.7
125.51837	0.4
140.98792	1.2
158.99892	3.5
177.00975	9.7
178.01094	0.6
182.99957	2.0
194.59050	0.4
201.00925	4.3
217.04062	2.6
219.02017	18.2
220.01863	0.5
225.00871	2.3
243.02016	14.3
261.03082	100.0
262.03247	2.3
263.03467	0.6
284.04742	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30982	0.5
53.36122	0.5
56.05028	2.6
58.06603	4.1
61.01135	0.6
66.72128	0.5
67.25945	0.5
70.06600	0.9
71.03699	0.6
71.41029	1.0
72.08149	0.6
73.62753	0.5
84.03993	1.0
84.04507	27.5
84.08146	100.0
86.06069	7.7
86.09705	7.8
88.03993	4.2
97.58269	0.6
98.09676	0.5
113.07176	0.6
130.06554	0.9
130.08652	1.6
132.39336	0.5
141.13864	6.9
144.10211	1.1
157.07660	0.7
158.14331	0.5
169.13379	12.0
198.11229	0.7
215.13916	45.7
243.17046	45.8
262.11130	3.1
307.16861	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	307.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29826	1.1
50.59694	1.1
56.58123	1.1
70.99837	1.3
71.48812	1.5
82.99847	5.2
84.08125	1.7
93.42856	1.1
94.93014	2.5
97.01371	4.7
101.00890	65.4
103.00642	1.4
113.00864	9.1
115.02439	15.2
117.03951	1.3
118.08614	1.4
119.01931	100.0
126.98817	2.6
129.03972	5.4
131.01904	18.6
133.03474	16.7
137.02948	8.9
143.01909	17.9
144.99805	3.0
145.03439	5.9
147.04985	5.9
149.02975	3.1
155.01927	5.3
157.03462	3.2
159.01399	4.5
161.02979	26.3
163.02809	1.8
164.04272	1.2
168.99832	15.0
171.01414	2.7
173.02975	14.4
175.01149	1.4
177.02489	11.0
182.08701	1.2
185.03018	2.5
187.00890	31.9
189.02460	2.8
191.03973	5.9
196.99335	12.7
199.01022	1.6
199.02742	4.1
201.02464	4.2
202.89157	6.9
203.04092	2.2
203.75586	1.4
204.20346	1.6
205.01901	13.8
205.03630	2.3
215.00395	37.8
217.01898	3.9
217.03871	3.0
219.03528	11.1
221.05136	3.4
229.01964	21.0
233.01443	5.6
239.06067	3.5
245.05145	1.5
247.03012	66.0
248.03342	1.8
263.06161	1.5
265.04013	12.2
270.04596	2.4
289.04169	9.9
307.05539	6.3
307.10092	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	306.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37534	0.3
58.02983	0.3
62.38505	0.3
66.04723	0.4
67.05515	0.3
69.07063	1.5
70.78816	0.8
79.05495	0.6
81.07050	1.1
91.05478	0.5
93.07066	0.6
94.04185	2.7
95.08600	0.3
97.06531	0.4
107.08610	0.6
109.06532	0.4
109.10155	0.7
110.44542	0.3
114.09168	0.5
122.03659	6.9
126.09165	0.4
133.10127	0.9
135.11716	1.2
137.05991	100.0
153.12776	0.9
170.15451	1.9
182.15454	2.1
306.20758	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42907	1.0
61.02927	2.0
65.84026	1.1
70.21207	1.3
70.21609	2.6
70.99867	1.6
82.99839	7.0
84.08136	1.0
86.09722	1.1
86.99351	1.1
87.29325	1.0
89.00908	1.1
97.01408	3.1
101.00890	66.9
102.00965	1.2
103.00627	1.0
113.00892	9.2
114.06198	0.9
115.02441	17.3
115.89078	1.0
117.03992	2.6
119.01931	100.0
119.39759	1.0
120.01980	2.0
126.98774	1.4
127.38686	1.1
129.03993	6.0
131.01917	18.5
133.03487	18.5
133.04422	1.7
135.05051	1.1
137.02951	12.3
138.75323	0.9
142.03459	1.4
142.27661	1.1
143.01904	18.0
143.83434	1.0
144.99883	2.9
145.03484	3.2
147.01364	1.6
147.05048	6.1
149.01273	1.1
149.02953	3.4
151.04565	1.3
155.01921	6.0
157.03445	2.1
159.01387	5.6
161.01726	1.7
161.02977	24.6
163.04573	1.6
168.53786	1.4
168.99850	17.8
171.01341	1.5
173.02992	12.1
175.04587	1.5
176.53485	1.1
177.02463	12.3
185.02998	3.5
187.00905	34.4
187.02579	1.9
189.02490	3.4
191.04012	3.8
196.99301	11.7
198.80780	1.0
199.00951	2.3
199.02742	2.4
201.02461	4.0
202.89153	1.6
203.02348	1.4
203.04007	2.7
205.01942	12.1
211.02826	1.1
215.00383	38.4
217.01924	3.2
217.03845	1.4
219.03574	14.2
221.05121	3.8
223.03056	1.5
229.01964	23.3
233.01483	2.8
247.03021	70.9
248.03287	1.6
261.02808	1.6
263.06186	1.8
265.04089	12.1
274.28909	1.2
289.04166	8.1
307.05325	7.3
307.08383	1.1
307.10251	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.8
56.05034	0.7
60.04531	16.6
62.72652	0.7
67.05525	0.8
69.06741	0.7
69.07081	8.9
70.06605	4.2
71.48876	1.1
72.08155	3.9
78.95284	0.8
84.08148	3.1
85.02897	1.3
86.09715	100.0
101.00900	2.5
101.04263	1.0
102.00892	0.9
106.05037	6.0
114.09192	0.7
116.03486	1.4
118.08638	0.7
119.01939	1.7
125.10760	0.7
128.10782	1.0
136.07536	0.8
143.01892	0.8
155.11844	1.3
157.06105	4.2
159.11386	1.7
161.03061	1.8
173.12866	16.7
173.14256	1.1
174.03923	8.5
175.07156	5.1
175.11934	0.8
183.11299	1.3
187.00935	0.8
193.08211	14.8
196.08499	0.7
201.12350	15.8
204.04190	0.9
211.27596	0.6
224.48354	0.7
261.03165	2.2
264.07501	1.7
267.08264	0.8
270.14529	3.1
282.96521	1.0
288.15781	0.9
300.97531	1.3
306.08090	2.1
306.11554	1.0
306.15674	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.01859	0.8
55.05513	2.8
55.93499	0.5
56.05035	2.2
57.03425	0.9
58.06601	0.4
60.04533	4.8
61.01143	1.0
61.02920	1.8
66.43398	0.4
67.05493	0.9
68.05035	0.4
69.03434	2.6
69.07066	0.8
70.06597	5.0
70.08619	1.7
71.04993	0.5
72.08161	3.7
73.02931	0.6
74.02412	0.7
74.06072	1.2
78.21095	0.4
79.05488	1.3
80.05013	0.8
81.03408	1.6
81.07056	4.7
83.08610	0.9
84.04510	9.2
84.08154	4.9
85.02913	12.8
86.09711	7.5
87.04459	0.5
87.05599	1.7
88.03972	0.5
90.94870	0.6
93.07032	0.8
95.06102	1.0
97.02917	2.6
98.06048	0.9
102.05554	2.9
104.05335	1.9
108.08105	0.9
109.02886	1.3
109.06530	2.7
110.07176	0.8
112.08715	0.4
112.11243	0.6
116.03435	0.6
116.07085	0.5
120.08118	3.8
124.94683	0.4
126.09164	23.5
127.03923	0.9
127.07565	9.4
129.06589	1.5
129.10310	1.1
130.05026	0.6
130.06514	1.5
132.08096	1.2
132.10234	1.6
133.06105	2.8
136.06213	0.6
137.06012	0.5
144.10207	100.0
145.04950	0.8
145.10548	0.7
146.06248	0.6
147.07646	1.9
149.96140	0.5
155.11650	0.5
159.09166	3.2
173.12886	0.9
175.07190	2.7
193.08215	0.6
201.12395	1.3
219.13417	1.3
230.13885	1.2
235.10812	0.8
237.84184	0.5
261.88257	0.4
288.15646	0.6
289.11792	1.3
297.62570	0.4
306.15393	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22250	0.2
55.05508	0.6
55.93530	0.4
56.05035	1.0
56.96575	0.5
58.06601	0.5
60.04530	3.2
60.05645	0.3
61.01152	0.2
62.53425	0.2
68.05034	0.6
69.03432	0.5
69.07078	1.0
70.02969	0.2
70.06596	100.0
71.05006	0.3
71.06930	0.4
71.49574	0.3
72.08160	3.6
72.93791	0.5
74.06083	0.5
78.06814	0.2
83.04977	0.2
84.04512	1.9
84.08150	3.2
85.02920	0.6
85.08520	0.3
86.06068	0.3
86.09713	11.9
87.10061	0.3
88.04040	0.3
89.94054	0.3
90.94836	0.5
93.07055	0.2
95.06114	0.8
97.02914	0.4
98.06083	0.7
98.09678	0.3
100.07639	0.3
101.00903	0.3
102.01024	0.2
102.05555	1.0
104.05338	0.9
106.05048	0.6
108.04468	0.2
110.07199	0.8
110.09684	0.3
112.08762	0.4
112.11253	0.7
115.08651	0.2
116.03494	0.3
116.07127	0.4
118.08706	0.3
119.01942	0.6
120.02048	0.6
120.08115	3.1
126.09189	0.3
126.58234	0.2
127.03944	0.2
129.06628	0.4
129.10275	0.7
129.13855	0.3
130.05020	0.4
130.06523	0.5
131.01944	0.3
132.02005	0.2
132.10236	0.6
132.95880	0.4
136.07660	0.4
137.06013	0.3
143.01950	0.5
144.02078	0.5
144.10240	0.7
145.03625	0.3
146.06055	0.3
147.04391	0.3
147.07697	0.8
149.96161	0.3
150.96931	0.4
155.11871	0.7
157.06123	0.7
157.07693	0.3
158.06065	0.3
159.09219	0.4
159.11314	0.3
161.03020	0.9
161.96255	0.2
162.03151	0.9
173.12872	2.2
174.94376	0.2
175.07219	1.1
175.11908	0.5
177.05446	0.3
193.08258	1.7
194.10597	0.2
201.12352	1.9
203.04036	0.3
203.12227	0.5
204.04303	0.4
219.13533	0.3
224.07744	0.4
233.98206	0.2
242.08871	0.4
246.05307	0.3
270.14746	0.3
306.11798	5.9
306.15729	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2478
Annotation	14,15-Dihydro-16-helicallenoic acid
Peak:m/z	Relative Intensity
53.03933	3.0
53.22620	1.8
55.05516	28.5
57.07068	5.5
61.58222	2.1
64.93964	2.1
67.05189	2.5
67.05506	27.3
69.03437	4.0
69.07070	28.0
71.04998	4.0
79.05089	2.0
79.05504	24.6
80.05812	2.6
81.07062	100.0
82.07404	12.1
83.08630	10.2
85.06538	2.9
91.05481	14.3
93.07051	75.3
94.07381	13.9
95.04980	4.3
95.08617	71.4
96.08950	10.3
97.06561	3.8
97.10181	15.8
105.07040	22.8
106.07339	6.1
107.07877	3.8
107.08602	66.1
108.08927	8.0
109.06496	2.9
109.09354	3.6
109.10155	40.3
110.10492	5.0
111.08110	3.3
119.08588	15.9
120.08915	4.3
121.06478	2.8
121.10151	54.3
122.10476	7.0
123.08083	5.0
123.10852	4.4
123.11690	20.7
124.11935	2.0
125.09615	6.7
131.08629	3.9
133.10179	12.4
134.10506	2.6
135.10718	2.9
135.11699	30.1
136.12013	7.2
137.13257	14.5
143.10629	3.1
145.10146	3.4
147.11694	7.4
148.11996	2.4
149.05997	3.1
149.13269	75.9
150.13631	16.5
150.14656	3.3
151.11179	4.0
151.13921	7.8
158.06119	2.8
159.11693	4.1
161.13261	6.0
162.13632	3.0
163.11203	3.1
163.14842	35.0
164.15251	5.3
173.13185	2.4
175.14864	2.8
177.16371	4.8
191.17949	2.8
195.13943	2.9
209.15262	4.1
221.15421	2.9
223.16949	3.7
235.16957	4.0
249.18517	8.5
259.23358	3.9
275.43088	2.4
287.23221	7.4
305.18439	7.3
305.24631	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1127
Annotation	N-Acetyldehydroanonaine
Peak:m/z	Relative Intensity
50.32643	0.3
55.01866	0.4
55.05499	0.8
57.03439	1.0
67.05509	3.4
68.65060	0.3
69.07053	0.8
69.80090	0.9
69.80505	0.9
70.06587	0.3
79.05505	2.2
81.07069	3.1
83.08617	0.3
84.08120	0.3
89.39932	0.3
91.05479	1.2
93.07050	2.3
94.04218	0.4
95.08617	2.2
100.07596	0.4
105.07055	1.2
106.71166	0.3
107.08601	1.1
109.10157	1.1
117.07022	0.4
119.08591	0.7
121.10139	1.5
122.03680	1.8
123.11747	0.5
129.05470	0.4
131.08575	0.8
133.10107	0.7
135.11691	1.5
135.32999	0.3
137.05989	24.2
147.11691	0.4
149.13211	0.5
153.12778	0.4
167.31197	0.3
170.15436	0.6
178.07811	0.4
179.08548	2.4
182.15439	0.4
189.16486	0.3
193.08875	0.3
205.08922	1.1
206.09673	33.0
207.09961	0.6
215.18007	1.3
217.08850	0.5
233.08348	0.6
234.09161	18.0
235.07587	0.4
235.09828	0.8
236.10753	0.8
262.08600	0.6
263.09406	4.0
264.10220	100.0
265.10593	1.5
305.31512	0.6
306.11258	31.9
306.21088	0.8
306.27676	0.4
306.31442	0.4
307.11551	0.4
307.22711	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	305.2478
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03946	3.2
55.05517	13.7
57.07076	3.0
58.90525	1.7
65.03934	2.4
66.73733	1.7
67.05518	19.2
69.07069	14.5
69.91766	10.3
73.90951	2.0
74.84061	1.9
79.05502	26.9
81.07068	100.0
83.04987	2.3
83.08625	7.5
85.06544	3.3
91.05486	15.6
93.07056	41.5
95.08621	58.9
97.06533	3.7
97.10187	4.3
98.20837	2.4
105.07049	23.2
107.08609	28.4
109.06516	8.5
109.10161	25.7
111.08102	9.1
117.07014	2.7
119.08582	17.0
121.10155	24.6
123.08100	3.1
123.11734	5.9
124.10459	2.2
125.09637	3.7
129.07048	3.0
131.08609	9.0
133.10130	13.0
135.08105	2.4
135.11710	14.5
137.09659	3.1
137.13269	4.3
142.07814	2.1
143.08577	4.6
145.10205	9.8
147.11690	9.8
149.09628	2.0
149.13264	15.6
151.11200	2.0
157.10150	3.9
159.11688	9.4
161.13268	7.9
163.14833	5.0
171.11729	4.4
173.13284	5.4
175.14830	3.7
177.16399	5.8
187.14873	5.0
189.16373	2.5
199.14749	4.0
201.16455	4.2
203.17972	3.0
205.15901	3.0
213.16347	5.7
227.17996	3.3
231.17410	2.3
236.16536	1.9
257.59665	1.7
259.24261	3.6
269.22729	6.6
287.23608	8.2
305.21585	3.6
305.24789	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	305.2478
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03928	2.3
55.01874	2.6
55.05517	10.7
59.87975	1.8
64.58683	1.8
67.05515	23.4
69.07078	12.0
69.35997	15.9
79.05501	26.4
81.07068	100.0
83.04957	2.2
83.08612	6.2
85.06532	2.3
91.05479	13.4
93.07059	36.1
95.08621	55.6
97.06537	2.3
97.10196	3.1
101.43522	2.0
105.07054	19.0
107.08606	29.2
109.06512	8.1
109.10172	22.5
111.08086	5.5
119.08586	17.1
121.06492	3.7
121.10157	23.9
123.08058	2.9
123.11691	6.6
125.09659	5.4
131.08572	9.0
133.10168	11.1
135.07939	1.9
135.11703	12.7
137.13266	2.1
138.02385	2.0
138.69566	1.8
143.08546	4.7
145.10136	9.9
147.11737	10.1
149.09721	2.8
149.13258	13.8
151.11282	2.7
157.10156	4.9
159.11771	8.5
159.86037	1.9
161.13234	5.0
163.14789	4.4
165.12778	2.0
173.13219	6.0
175.14809	3.8
177.16389	5.6
185.13264	3.8
187.14816	4.9
199.14853	2.2
201.16362	3.3
205.15939	4.4
213.16449	6.2
231.17300	1.9
259.24295	3.1
269.22711	7.0
287.23663	6.3
305.21313	2.8
305.24655	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2475
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03939	3.2
55.05531	8.6
57.07065	3.3
67.05509	19.0
69.07071	14.4
71.04966	1.9
71.09129	2.9
79.05489	21.1
81.07060	100.0
83.05004	2.2
83.08611	6.0
84.40154	1.6
85.06543	2.7
87.96990	1.6
89.60422	1.7
91.05476	10.6
93.07047	33.3
95.04978	3.6
95.08615	47.4
97.06554	1.7
97.10155	2.7
105.07030	15.6
107.08600	28.6
109.06506	7.4
109.10167	22.8
111.08065	5.5
119.08607	14.9
121.10151	17.7
123.08063	1.8
123.11716	4.9
125.09643	3.2
131.08551	7.4
133.10138	14.0
135.08054	2.2
135.11691	12.9
137.09563	3.0
137.13283	3.9
139.11121	2.2
143.08548	4.3
145.10139	8.0
147.11679	7.4
149.13266	13.2
151.11198	2.1
157.10120	4.2
159.11717	9.0
161.13261	7.5
163.14850	4.4
165.12732	2.2
171.11630	3.0
173.13304	8.1
175.14900	3.6
177.16367	3.2
185.13268	2.0
187.14801	6.0
199.14847	3.4
201.16359	3.7
205.15866	5.4
213.16331	5.3
269.22617	8.9
287.23718	8.2
305.24796	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2476
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03936	3.6
55.05514	28.2
56.95261	3.4
57.03430	3.2
57.05368	3.4
57.07061	9.0
61.02013	3.0
67.05510	46.5
68.52495	3.1
69.03423	3.6
69.07072	25.5
70.17825	6.3
70.18214	6.6
71.04997	3.0
79.05492	28.3
80.66431	3.3
81.07066	100.0
83.04988	7.1
83.08622	10.7
85.06580	4.2
85.30817	2.9
85.68019	3.8
91.05482	21.9
93.07049	55.6
95.04958	9.2
95.08609	70.3
97.06525	12.2
97.10157	7.5
105.07028	44.5
107.08604	62.1
109.06502	4.7
109.10167	69.2
111.08134	3.0
117.06994	7.1
119.05976	3.4
119.08590	50.3
121.10159	26.8
123.08054	11.2
123.11697	14.3
125.09613	7.0
131.08577	12.0
133.10144	22.0
135.08072	4.8
135.11719	52.0
137.09630	7.5
137.13263	17.5
143.08568	7.7
145.10114	22.8
147.11676	20.7
149.09590	3.6
149.13278	19.3
153.09077	6.4
157.10078	9.1
159.11728	24.8
161.13264	14.3
163.11201	6.2
163.14824	7.6
165.12694	7.3
171.11691	5.8
173.13274	10.9
175.14847	6.3
177.16380	4.1
179.14395	4.2
181.12219	4.0
185.13237	5.1
187.14836	9.9
189.16362	5.8
199.14828	5.8
201.16478	6.3
205.15884	4.0
213.16364	14.0
219.17279	3.3
223.16983	4.1
229.19560	8.5
266.73245	3.3
269.22589	11.7
279.46472	3.3
287.23746	22.2
305.24725	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2478
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.00350	3.4
53.03938	4.4
53.39853	2.5
55.05523	21.2
57.03445	3.1
57.07064	6.5
59.04986	4.3
67.05517	33.9
69.03416	11.1
69.07076	35.1
69.98654	12.2
69.98995	4.7
71.05000	8.6
79.05497	33.6
81.06597	5.4
81.07064	100.0
83.04990	5.9
83.08622	13.0
85.06541	5.7
85.17366	3.0
91.05490	25.7
93.06488	4.1
93.07056	74.4
94.58086	2.7
95.04961	7.4
95.08617	61.8
97.06532	11.6
97.10162	8.1
99.08112	3.4
105.07041	39.7
107.08604	69.9
108.92175	2.6
109.06532	13.9
109.10173	56.6
111.08092	9.5
111.11712	4.7
117.07005	3.5
119.08592	46.5
121.06548	4.4
121.10152	46.2
123.08064	6.7
123.11729	20.7
125.09644	10.9
127.11201	3.4
131.08530	10.6
133.10150	36.1
133.41373	3.0
135.08015	5.1
135.11722	25.1
137.09612	9.1
137.13223	6.9
139.11169	5.3
142.07716	2.5
143.08540	5.0
145.10143	18.6
147.10858	2.5
147.11740	24.5
149.13277	39.1
151.11189	21.2
157.10162	8.9
159.11710	14.4
161.13275	14.4
163.14854	7.8
165.12772	5.0
167.14297	3.3
171.11674	8.7
173.13252	12.1
175.14838	9.4
177.12833	4.4
177.16379	10.3
185.13251	5.8
187.14790	6.2
189.16351	5.6
195.17499	4.2
199.14818	10.1
201.16376	13.6
203.18059	4.4
205.15895	5.0
213.16391	8.6
215.17921	3.5
223.16975	5.1
229.19550	6.3
252.51778	3.0
269.22586	17.8
287.23724	14.4
305.24799	38.1
306.11298	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	305.2476
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
52.39600	2.2
53.03930	2.4
53.10847	2.4
55.01862	3.7
55.05303	1.9
55.05518	19.3
56.96567	4.0
57.07071	11.8
59.04964	1.9
65.03931	2.9
67.05188	3.0
67.05512	48.1
69.03410	4.7
69.07069	24.2
70.06603	14.1
70.30993	7.3
71.04987	3.6
71.06908	3.2
71.08620	2.2
75.70020	1.9
79.05054	2.6
79.05495	21.5
81.03390	1.9
81.06591	4.3
81.07062	88.8
83.04993	3.9
83.08627	6.7
84.94518	2.2
85.06513	1.7
88.07647	15.3
89.07996	3.8
91.05488	18.5
93.06483	3.8
93.07047	52.2
94.07377	2.2
95.04956	8.2
95.08617	100.0
97.06540	4.8
97.10162	7.9
98.97591	31.2
99.08061	3.9
102.09176	9.1
103.09511	4.6
105.07024	32.1
107.08604	50.0
109.06511	6.3
109.10164	65.2
111.08080	3.2
111.11727	2.9
116.09324	2.6
116.98634	7.5
117.07037	4.0
119.08580	29.7
121.06509	3.3
121.10154	36.1
123.08067	5.0
123.11720	40.8
125.09657	6.1
129.07030	4.2
131.00220	3.0
131.08592	13.0
133.10132	23.5
135.08038	3.0
135.11705	26.2
137.09616	11.6
137.13248	20.8
139.11143	3.7
142.96527	4.4
143.08624	4.8
143.10721	2.2
145.10143	15.8
147.11682	19.8
149.13263	26.9
151.11200	2.7
151.14883	2.1
155.10663	5.3
157.03439	2.3
157.10156	7.1
158.99699	9.3
159.11697	14.0
160.97603	3.7
161.13300	13.0
163.11172	2.0
163.14792	10.5
165.12778	4.3
171.11713	10.1
173.01227	5.6
173.13264	8.7
175.14818	6.3
177.00717	5.3
177.12730	3.7
177.16405	6.3
181.12265	2.7
185.13210	5.9
187.14853	7.0
187.42508	2.2
189.16350	7.2
191.02086	2.0
197.13210	2.0
199.14876	6.8
201.16432	4.9
202.98680	7.9
203.17949	7.6
205.15878	4.4
213.16391	7.4
217.19603	2.6
229.19606	4.5
242.24643	2.7
243.25131	27.2
244.99638	2.6
245.22543	2.3
247.20526	2.5
259.24289	3.4
269.22623	16.1
287.23703	18.3
305.17273	7.8
305.22006	3.4
305.24768	44.4
305.28796	76.2
306.11356	2.1
312.46155	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	305.2476
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
50.39687	2.3
53.03954	4.2
55.05516	20.2
57.07060	4.3
57.91013	2.4
66.06141	3.1
67.05246	2.4
67.05508	29.4
68.71164	2.6
68.93953	2.5
69.03395	4.5
69.07081	20.1
71.04982	7.4
71.19910	2.6
76.73927	2.2
79.05500	26.5
80.84528	2.5
81.07064	100.0
83.04965	4.6
83.08612	10.6
85.06570	5.2
91.05489	19.5
93.07048	54.1
95.04955	4.3
95.08617	56.9
97.06524	6.9
97.10156	7.2
104.20200	2.9
105.07038	30.9
107.04948	3.1
107.08603	49.5
109.06516	8.2
109.09475	3.7
109.10166	38.1
111.08078	7.9
111.11745	3.8
117.06944	3.5
119.08575	27.5
121.10155	32.4
123.08085	5.0
123.11744	14.2
124.08459	3.0
124.14845	2.5
125.09637	7.9
127.11224	2.6
131.08525	6.4
133.10144	23.5
135.08110	3.5
135.11685	25.5
137.09657	6.0
137.13266	5.1
139.11206	2.8
143.08559	3.6
145.10159	15.2
147.11699	11.6
149.13286	20.4
151.11209	10.0
157.10130	7.9
159.11719	14.8
161.13258	11.8
163.14824	8.0
165.12819	3.0
171.11720	3.9
173.13219	5.8
175.14822	9.6
177.16374	11.9
185.13280	5.1
187.14827	6.0
188.58624	2.4
189.12814	2.7
189.16444	5.2
199.14771	5.8
201.16356	4.8
205.15907	5.6
213.16374	6.6
217.19492	4.2
227.18031	3.1
238.05211	2.8
269.22638	11.6
287.23672	11.1
305.17575	4.3
305.24808	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39600	2.2
53.03930	2.4
53.10847	2.4
55.01862	3.7
55.05303	1.9
55.05518	19.3
56.96567	4.0
57.07071	11.8
59.04964	1.9
65.03931	2.9
67.05188	3.0
67.05512	48.1
69.03410	4.7
69.07069	24.2
70.06603	14.1
70.30993	7.3
71.04987	3.6
71.06908	3.2
71.08620	2.2
75.70020	1.9
79.05054	2.6
79.05495	21.5
81.03390	1.9
81.06591	4.3
81.07062	88.8
83.04993	3.9
83.08627	6.7
84.94518	2.2
85.06513	1.7
88.07647	15.3
89.07996	3.8
91.05488	18.5
93.06483	3.8
93.07047	52.2
94.07377	2.2
95.04956	8.2
95.08617	100.0
97.06540	4.8
97.10162	7.9
98.97591	31.2
99.08061	3.9
102.09176	9.1
103.09511	4.6
105.07024	32.1
107.08604	50.0
109.06511	6.3
109.10164	65.2
111.08080	3.2
111.11727	2.9
116.09324	2.6
116.98634	7.5
117.07037	4.0
119.08580	29.7
121.06509	3.3
121.10154	36.1
123.08067	5.0
123.11720	40.8
125.09657	6.1
129.07030	4.2
131.00220	3.0
131.08592	13.0
133.10132	23.5
135.08038	3.0
135.11705	26.2
137.09616	11.6
137.13248	20.8
139.11143	3.7
142.96527	4.4
143.08624	4.8
143.10721	2.2
145.10143	15.8
147.11682	19.8
149.13263	26.9
151.11200	2.7
151.14883	2.1
155.10663	5.3
157.03439	2.3
157.10156	7.1
158.99699	9.3
159.11697	14.0
160.97603	3.7
161.13300	13.0
163.11172	2.0
163.14792	10.5
165.12778	4.3
171.11713	10.1
173.01227	5.6
173.13264	8.7
175.14818	6.3
177.00717	5.3
177.12730	3.7
177.16405	6.3
181.12265	2.7
185.13210	5.9
187.14853	7.0
187.42508	2.2
189.16350	7.2
191.02086	2.0
197.13210	2.0
199.14876	6.8
201.16432	4.9
202.98680	7.9
203.17949	7.6
205.15878	4.4
213.16391	7.4
217.19603	2.6
229.19606	4.5
242.24643	2.7
243.25131	27.2
244.99638	2.6
245.22543	2.3
247.20526	2.5
259.24289	3.4
269.22623	16.1
287.23703	18.3
305.17273	7.8
305.22006	3.4
305.24768	44.4
305.28796	76.2
306.11356	2.1
312.46155	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	305.2478
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03954	5.8
55.01873	5.1
55.05515	32.2
57.03448	5.1
57.07069	9.0
59.05010	4.5
67.05510	36.9
69.03445	11.9
69.07076	27.8
70.06590	7.9
70.85171	4.8
71.04990	20.6
72.08151	8.7
79.05502	37.9
81.03431	3.1
81.07061	100.0
83.04985	7.1
83.08627	17.3
85.06540	7.3
91.05493	25.0
93.07054	75.9
95.04954	8.3
95.08611	65.8
95.09133	1.5
97.06537	18.6
97.10163	8.2
99.08086	10.7
102.71328	2.2
103.05424	3.5
105.07038	47.6
107.04966	6.5
107.08604	86.3
109.06532	8.5
109.10169	51.7
111.08097	8.0
111.11729	3.3
117.07030	8.4
119.08590	46.5
121.06516	7.6
121.10153	37.1
123.08067	11.3
123.11718	18.1
125.09642	22.5
127.07548	5.0
127.11216	34.2
129.06987	2.8
131.08559	12.7
133.06485	2.5
133.10149	29.7
135.08081	6.8
135.11705	72.2
137.05997	5.0
137.09648	6.6
137.13252	12.5
139.11198	8.7
142.07784	3.0
143.08571	5.3
145.10136	22.3
147.11710	18.0
149.05972	8.2
149.09637	6.0
149.13283	24.4
151.07579	3.8
151.11214	8.5
153.09135	3.0
155.08531	2.7
155.10677	14.9
157.10153	17.0
159.11700	23.6
161.05984	5.0
161.13287	16.6
163.11212	2.8
163.14832	10.7
165.12762	4.5
171.11685	8.5
173.13277	10.2
175.07497	3.2
175.14850	8.8
177.12758	4.4
177.16449	4.6
183.13803	3.4
185.13292	8.0
187.14862	7.4
189.16437	8.4
191.17924	3.1
197.71967	2.4
199.14862	8.2
201.16411	19.0
203.18039	6.5
213.16382	9.8
213.18544	2.2
215.17949	5.0
219.17493	7.4
227.17998	3.0
229.19572	5.2
235.16916	2.9
245.12843	3.2
259.16959	7.2
261.04230	2.6
269.22641	15.4
287.13739	3.0
287.16583	13.8
287.23785	22.5
305.17590	13.0
305.24780	42.2
306.26486	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	305.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.9
55.05521	0.8
67.05511	1.7
69.07076	0.5
69.43974	3.4
70.06598	2.0
72.08169	1.9
77.03927	0.7
79.05507	1.2
81.07075	2.0
84.08161	1.0
91.05478	4.2
93.07066	3.6
94.06586	0.7
95.04990	1.3
95.08591	0.7
96.08183	0.5
97.06528	0.7
105.07056	0.7
107.08608	0.6
108.04488	0.8
108.08147	1.7
112.07600	0.7
112.11248	0.5
119.08587	1.0
122.06019	3.5
124.07596	9.5
124.08495	0.5
126.05507	1.4
135.11671	0.6
136.07587	100.0
137.05984	0.5
140.07101	1.3
147.11696	0.5
150.05501	0.8
152.07080	18.5
164.07079	77.5
170.08160	4.2
182.08141	14.6
216.29636	0.4
287.13885	3.6
287.23926	0.9
305.05429	1.0
305.14709	1.2
305.25110	0.6
315.55704	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0094
Annotation	Unknow
Peak:m/z	Relative Intensity
63.24219	18.2
67.49091	17.9
70.06596	26.8
71.46680	26.7
71.95564	18.4
72.08176	21.9
82.99841	41.8
83.30678	24.5
84.08136	37.3
85.39584	18.3
86.09689	30.0
101.00911	100.0
103.00603	36.8
110.33712	17.1
111.33143	21.2
115.02417	24.7
119.01898	79.5
125.17892	19.7
127.02489	31.6
128.88081	18.9
131.01892	32.2
132.11343	20.2
133.03508	31.8
143.01875	43.4
145.03494	62.6
147.03328	28.0
155.01909	27.0
157.03481	50.5
161.02977	34.0
173.02963	32.2
174.98979	20.5
175.02858	29.4
175.04442	26.3
185.03012	26.5
185.09259	27.6
186.09489	33.6
187.04565	29.6
192.99788	28.8
193.05635	29.0
201.00668	39.3
203.04146	46.5
211.00647	58.9
211.06618	41.1
215.02280	31.8
215.04123	56.1
233.03244	79.8
245.05064	22.4
287.05792	22.0
287.13815	24.5
305.01080	81.6
305.07019	73.8
305.14645	34.1
315.64212	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	305.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.4
55.01880	0.4
55.05510	0.9
59.22008	0.3
65.03948	0.5
67.05511	2.5
69.07069	0.7
69.84706	0.7
69.85096	0.9
70.06596	1.1
72.08159	1.8
77.03947	0.4
79.05507	1.1
81.03449	0.4
81.07057	2.4
84.08147	1.2
86.09712	0.7
91.05492	3.8
92.48251	0.3
93.05799	0.5
93.07048	3.3
94.06581	1.0
95.04986	1.2
95.08612	1.1
96.08141	0.6
97.06538	1.0
98.21418	0.4
105.04530	0.4
105.07027	0.5
107.08581	0.6
108.04472	0.7
108.08128	2.1
109.06527	0.4
109.10123	0.7
112.11257	0.6
119.08640	0.3
121.10140	0.4
122.06038	3.7
123.04444	0.4
124.07596	10.0
125.09632	0.4
126.05521	1.5
131.08656	0.4
133.10168	0.5
135.11713	0.4
136.07588	100.0
137.07942	0.8
138.09094	0.6
140.07065	1.0
147.11722	0.4
150.05557	0.8
152.07079	18.8
158.06120	0.3
159.06876	0.5
159.11723	0.4
164.07080	78.9
165.07312	0.8
166.08609	0.9
170.08139	4.5
182.08139	15.9
189.08916	0.4
225.24271	0.4
231.05345	0.3
244.13208	0.5
245.12984	0.5
287.13910	3.9
287.24136	1.5
305.05521	4.5
305.14847	1.2
305.17874	0.5
305.25021	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	304.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
55.05519	16.5
55.66227	1.0
56.05036	2.4
57.07069	1.2
59.32261	1.1
67.05511	34.7
68.99788	1.2
69.07076	15.3
70.05602	4.2
70.06598	1.2
71.04974	3.0
73.27723	1.0
79.05503	11.2
81.06596	2.0
81.07063	37.7
83.08617	11.5
84.08143	1.9
86.07177	1.1
90.56480	1.0
91.05490	6.2
93.07058	12.7
95.08617	29.7
97.10164	4.4
105.07031	3.0
107.08612	7.5
109.10167	15.7
119.08590	1.8
120.46750	1.0
121.10148	6.8
123.08087	1.4
123.11687	2.4
131.08545	1.3
133.10185	1.9
135.11688	2.4
137.02347	2.8
138.02658	3.6
147.11743	1.7
149.13252	1.6
153.01857	4.1
154.02165	3.5
165.01874	2.5
166.02126	1.1
191.17854	1.5
202.05885	2.6
222.22166	1.1
224.23759	27.2
226.21657	9.8
230.05399	5.0
250.21642	9.8
258.04810	3.4
268.22751	6.7
286.23788	100.0
287.24136	1.8
304.05356	64.4
304.24838	77.3
305.05634	2.0
323.71390	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	304.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.4
55.05514	16.0
56.05028	2.6
57.07077	1.4
65.03923	2.2
67.05509	43.1
69.03433	1.3
69.07071	14.9
69.82693	1.3
70.04500	4.5
70.06590	5.0
71.04995	5.0
77.36993	1.1
79.05496	17.7
80.42683	1.1
81.03409	1.7
81.07058	52.9
83.04953	1.6
83.06100	1.8
83.08620	8.2
84.08126	3.0
85.02899	5.0
85.06525	3.2
91.05482	9.9
93.07044	19.6
95.04957	3.0
95.08614	40.5
97.06522	3.0
97.10175	3.8
99.04405	1.2
105.07026	5.1
106.88894	1.3
107.08588	14.8
109.02852	1.2
109.06551	1.4
109.10172	20.3
112.03970	4.5
117.06994	1.5
119.04928	1.4
119.08572	4.6
121.10146	8.4
122.92978	1.1
123.04434	2.4
123.08052	2.1
123.11697	4.7
126.06620	2.5
131.08624	5.6
133.10083	5.6
135.11705	5.4
137.09622	2.4
137.13217	1.7
140.07056	5.0
145.10123	3.1
147.04427	6.9
147.11673	3.2
149.13243	2.6
151.11197	1.4
158.08142	2.6
158.09268	2.5
163.11249	1.7
168.17522	1.2
173.13353	1.7
176.09183	2.9
214.40742	1.4
224.23679	1.6
229.04799	1.2
250.21742	14.1
252.23198	1.8
267.44269	1.2
268.22726	91.9
270.24155	1.6
280.33032	1.3
286.23782	100.0
304.05228	9.1
304.24826	96.4
305.25098	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.01879	1.1
55.05272	1.0
55.05515	13.6
56.05038	4.8
56.55227	0.8
57.03436	0.9
57.07068	0.7
60.52955	0.7
65.03925	0.9
67.05509	41.6
69.07076	10.6
69.85254	0.7
69.96823	3.1
70.06598	6.2
71.04993	6.2
72.08153	3.1
77.65972	0.8
79.05498	16.2
81.07060	49.3
83.04979	1.8
83.08620	6.7
84.08143	5.5
85.06536	2.8
86.06074	1.4
86.09713	1.7
91.05479	11.4
93.07051	21.3
95.04955	1.2
95.08611	37.7
96.08163	0.9
97.06547	4.1
97.10170	2.3
98.09686	2.6
99.04465	2.0
100.84216	0.7
105.07047	6.8
107.04942	1.0
107.08592	12.7
109.06525	2.8
109.10165	17.3
111.08089	1.3
112.11303	1.0
117.07029	2.2
119.08585	5.9
120.08126	0.9
121.06528	1.0
121.10148	11.4
123.08074	2.4
123.11691	3.6
131.08588	5.8
133.10149	9.5
135.08057	2.0
135.11682	5.3
137.09619	1.8
137.13268	1.1
145.10097	4.1
147.04468	2.4
147.11676	3.0
149.09636	2.6
149.13283	3.7
151.11140	1.5
153.01823	1.2
154.02066	0.9
158.09178	1.0
159.11700	3.2
164.04071	0.8
166.15843	1.0
173.13254	1.5
185.09183	1.0
215.17920	1.8
229.04726	0.8
230.05298	2.2
232.20569	1.7
233.19002	1.6
250.21696	22.0
268.22733	100.0
269.22995	1.4
286.23782	88.1
287.24103	1.2
304.05331	23.2
304.24835	83.0
305.05524	0.9
305.25183	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1656
Annotation	H-Trp-Val-OH
Peak:m/z	Relative Intensity
55.05515	16.6
56.05026	1.5
57.03436	0.7
57.05824	1.2
58.06585	0.9
61.37202	0.6
68.05028	1.0
70.06605	5.7
70.18763	2.7
72.08160	100.0
73.08502	0.9
74.06052	0.8
81.07070	1.0
84.04521	1.1
84.08141	6.3
86.09712	3.2
91.05505	1.4
95.06091	0.8
98.06066	5.0
99.09261	1.6
103.05485	0.9
112.08742	0.8
114.05545	2.0
115.05491	2.9
116.07080	3.5
117.05780	2.4
117.07058	0.7
118.06552	6.1
119.08594	0.9
120.08124	5.7
121.08447	0.8
123.04476	1.1
126.06662	1.3
127.08662	3.5
129.10281	2.1
130.06523	14.7
132.08099	33.9
137.06033	0.8
142.06535	6.3
143.07304	1.7
143.11836	0.7
144.08093	29.0
146.06024	27.1
159.09196	54.0
160.07629	2.9
170.06024	13.7
171.14886	1.1
177.05542	1.0
177.10341	1.4
184.11165	0.8
185.09264	2.3
188.07079	57.6
193.77679	0.8
197.06363	0.8
205.09731	41.2
217.13774	0.7
258.16077	1.3
259.14539	3.0
271.19479	0.7
286.14105	1.1
287.13913	26.4
304.05438	1.7
304.16592	8.7
304.19281	0.8
318.60703	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1394
Annotation	pipemidic acid
Peak:m/z	Relative Intensity
53.03933	1.5
55.01873	1.8
55.05503	2.3
56.05019	2.9
57.03418	1.2
58.06590	1.0
60.95490	0.9
68.05035	6.5
69.03435	8.5
69.07056	1.2
70.06587	6.0
70.24946	3.4
71.05013	1.3
72.08167	5.8
79.05503	18.1
80.05007	1.4
81.03424	7.1
81.07044	1.9
82.06554	1.9
83.05002	5.6
84.04533	5.9
84.08144	1.8
85.02888	2.7
86.06047	1.1
86.09734	4.8
87.04447	1.0
87.05604	0.9
87.36519	1.1
95.04963	5.6
97.06531	6.5
98.06037	1.5
99.04460	16.0
99.05544	0.9
107.04931	6.6
108.08141	1.7
109.06602	1.1
110.06067	6.6
112.03979	1.8
112.07627	4.4
113.02363	1.6
114.05524	3.7
115.03941	11.0
115.35139	0.9
120.39349	0.8
124.07608	0.9
125.05991	10.4
126.09142	1.4
127.03921	12.2
128.07088	22.6
128.07973	1.7
130.05002	12.5
136.07568	3.2
142.08629	2.9
143.07005	1.5
143.11823	1.5
144.06586	12.3
145.03917	1.6
145.04990	19.7
154.08638	13.2
156.06534	1.4
159.07703	1.1
162.07632	18.6
170.08150	1.6
172.09703	21.7
182.08141	1.7
185.09216	5.4
188.09201	1.3
200.09183	1.9
210.07573	1.1
224.09206	3.8
226.10677	1.1
240.12300	2.1
242.10228	13.1
244.11856	2.2
260.11331	13.6
268.11774	2.3
286.12839	27.6
304.13928	100.0
305.14587	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	303.9825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11246	0.4
52.68968	0.4
53.03162	0.3
56.05026	2.0
58.06587	0.6
61.02896	0.5
70.03906	1.5
70.06586	1.4
84.04509	0.5
84.08140	2.0
85.07690	0.6
86.06057	1.8
98.97598	0.5
100.04001	0.7
101.00890	2.4
102.05544	1.1
104.65418	0.4
114.05540	5.6
119.01942	4.6
120.02039	0.6
121.01635	0.6
128.28755	0.4
137.02962	0.6
140.98851	1.3
141.10208	0.8
142.03508	1.2
142.08647	0.8
158.99902	4.3
177.00957	15.5
178.01115	1.1
178.94511	1.1
181.03477	1.9
182.99858	2.6
185.09221	9.0
186.98210	1.7
187.48125	0.7
187.98096	0.7
196.95662	2.5
199.04503	1.2
201.00952	10.1
214.96587	12.4
215.96770	0.5
219.02016	100.0
220.02167	4.3
220.95445	1.2
221.02281	0.6
226.95821	0.7
227.45744	0.5
229.46304	0.9
238.46603	1.0
238.96519	5.0
239.95602	2.3
240.96722	0.8
242.03551	2.3
244.02188	1.0
256.97626	46.3
257.96802	5.7
258.96548	0.6
261.03125	0.7
261.53345	0.5
262.03171	5.0
262.96820	1.0
269.44440	0.8
270.98633	0.5
274.97696	1.0
275.97821	0.9
278.12384	1.1
279.98593	1.5
280.97910	5.7
281.97769	0.6
286.13971	3.7
289.95776	0.4
298.98483	39.9
299.98563	1.5
304.15106	0.6
322.00046	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2318
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
53.03938	5.2
55.05511	23.0
57.03439	2.6
57.07067	8.9
61.24820	2.1
65.03955	1.9
67.05507	29.5
69.07069	19.3
71.04992	2.6
75.04491	2.8
79.05506	26.5
81.07059	76.8
83.08633	11.2
85.06556	3.2
89.06032	5.7
91.05486	23.7
93.07050	100.0
95.04964	6.1
95.08614	72.2
97.06504	3.7
97.10176	8.4
105.07033	29.4
107.07060	3.4
107.08601	75.9
107.90105	2.1
109.06511	3.4
109.10170	28.5
111.08076	6.1
113.05999	5.2
117.07065	4.5
119.08590	29.0
121.10156	57.8
123.08084	7.8
123.11716	18.8
131.08575	7.0
133.10150	24.7
135.08119	2.1
135.11696	39.6
137.13208	2.6
141.09100	4.2
145.10138	10.2
147.08080	3.0
147.11688	22.8
149.13271	87.2
150.06197	2.3
159.11717	14.4
161.09578	2.6
161.13255	12.6
163.14828	24.0
168.56705	2.4
171.11665	2.5
173.13301	9.8
175.11234	3.6
175.14818	9.5
177.16412	4.2
187.14818	5.0
189.12724	3.0
189.16377	4.5
191.17949	7.1
193.12315	2.8
201.16405	5.1
203.17941	6.4
207.13770	3.5
211.14888	2.5
212.61368	2.2
215.14452	2.4
221.15361	3.9
227.17949	2.2
229.19489	20.0
233.15376	4.6
247.16920	5.4
257.22678	11.4
285.22061	12.1
303.04956	4.5
303.19693	2.8
303.23199	54.1
311.95627	2.2
316.40848	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	303.232
Annotation	(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid
Peak:m/z	Relative Intensity
53.03949	4.3
55.01866	6.4
55.05521	15.0
57.03438	2.5
57.07066	4.0
59.04967	3.1
67.05512	32.8
69.03427	5.7
69.07072	14.8
69.51044	12.8
69.51463	4.4
70.14555	2.9
71.04985	6.2
79.05500	31.0
81.07061	100.0
83.04987	7.2
83.08617	8.1
85.06545	5.6
91.05489	31.3
93.06489	4.6
93.07056	76.4
95.04986	14.7
95.08614	60.7
97.06538	11.1
97.10137	2.8
105.04485	4.7
105.07038	53.5
107.08601	56.3
109.06538	16.0
109.10172	32.1
111.08073	24.6
117.07018	10.9
119.08591	49.6
121.06494	4.4
121.10157	28.6
123.08076	12.1
123.11717	9.5
125.09602	5.4
129.06976	5.0
131.08588	19.1
133.10147	32.6
135.08093	4.7
135.11729	26.7
137.09631	7.0
139.47032	2.7
142.07782	3.2
143.08594	8.6
145.10129	26.5
147.08153	3.4
147.11703	24.7
149.09674	4.1
149.13264	12.4
151.11165	10.8
157.10158	14.5
159.11688	19.7
161.09636	3.4
161.13293	17.6
163.11183	6.0
163.14842	3.8
165.12830	6.0
169.10112	7.9
171.11694	9.4
173.13284	10.9
175.11177	5.6
175.14902	16.2
177.12782	4.6
177.16397	5.2
183.11734	5.4
185.13287	9.4
187.14839	11.9
189.12860	5.5
189.16403	4.8
191.14403	3.2
193.16011	2.8
197.13329	8.1
199.14862	9.2
201.16428	8.4
203.14371	3.6
211.14835	9.0
213.16525	3.4
217.15906	4.8
227.17981	10.9
229.15915	5.9
243.17574	4.0
245.18938	3.8
257.22778	5.2
259.20523	3.3
267.21088	15.3
285.22086	23.0
303.05087	6.9
303.19717	6.7
303.23224	77.3
303.26700	2.5
303.30737	7.4
314.67435	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	303.2321
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
53.03946	3.2
55.01870	1.4
55.05515	17.2
56.05017	1.1
57.03442	2.9
57.07067	4.2
59.04990	1.6
65.03926	2.6
66.60183	1.2
67.05505	33.5
69.03423	3.1
69.07073	19.8
70.98978	1.2
71.04985	4.3
71.08635	1.6
71.23725	2.6
72.93771	1.7
75.04478	2.3
77.03903	1.1
78.73102	1.2
79.05493	27.5
81.03434	2.1
81.07061	78.3
83.04981	3.9
83.08625	8.1
85.06560	1.6
85.77570	1.3
88.07644	4.4
91.05488	19.8
93.07048	94.7
95.04974	10.5
95.08615	86.1
97.06529	7.3
97.10173	7.9
99.04449	3.1
105.04476	1.6
105.07038	25.4
107.08599	71.0
109.06541	7.1
109.10164	30.4
111.04427	2.0
111.08060	6.6
111.11718	1.4
112.48805	1.2
113.05994	4.7
114.13394	1.2
115.05450	1.8
117.07041	3.3
119.08598	21.7
121.06518	5.2
121.10146	57.0
123.08082	11.1
123.11723	17.0
125.05987	1.8
125.09614	3.0
127.11183	5.2
129.07034	2.7
131.08557	8.9
133.10130	19.2
135.08058	4.9
135.10707	2.6
135.11696	39.4
137.06023	1.3
137.09625	4.3
137.13266	2.0
139.07587	2.9
141.09120	5.3
143.08562	3.6
145.10149	10.5
147.08078	3.6
147.11684	16.3
148.12520	1.3
149.05994	3.7
149.09602	4.1
149.13266	100.0
151.07550	2.2
151.11171	1.9
153.09128	1.9
155.08658	1.2
157.10172	3.6
158.07298	1.4
159.08046	3.1
159.11726	9.6
161.09615	6.5
161.13248	10.9
163.11195	2.9
163.14821	34.1
167.10756	1.7
169.10078	1.5
171.11620	2.6
173.09636	2.5
173.13264	8.4
175.11177	7.2
175.14804	8.9
177.16377	3.9
179.10707	2.6
181.10254	1.3
181.12088	1.4
185.13268	1.8
187.11198	3.3
187.14885	6.9
189.12752	5.2
189.16386	4.1
191.17937	9.3
193.12248	2.9
201.12819	2.6
201.16417	5.1
203.14246	2.0
203.17981	6.6
207.13826	4.7
211.14885	1.8
215.14268	2.9
219.13879	2.1
221.15395	2.9
227.17946	2.5
229.15904	2.5
229.19498	15.8
233.15260	3.1
247.16933	5.0
257.19080	1.4
257.20300	1.3
257.22687	10.5
261.18747	1.6
267.21136	3.3
285.18814	1.9
285.22137	11.7
301.08835	2.1
303.05090	5.9
303.10330	5.5
303.15900	7.9
303.19620	9.4
303.23190	51.9
303.27090	6.6
303.30606	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	303.2319
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
53.03943	5.7
55.01855	2.1
55.05511	21.5
56.05039	1.6
57.03436	2.4
57.07074	4.9
62.78828	1.3
65.03931	2.8
67.05507	25.1
69.03451	1.6
69.07070	20.7
71.04993	3.3
71.08611	1.6
74.06084	2.8
75.04469	3.8
79.05495	26.4
81.07058	78.3
83.08607	10.8
85.96054	1.5
88.07629	12.6
89.07966	4.1
89.41016	1.6
91.05492	21.3
93.03391	1.7
93.07046	100.0
95.04975	6.5
95.08608	63.9
97.06536	4.1
97.10175	9.5
99.04470	1.6
105.07026	30.6
107.04957	1.5
107.08598	78.5
109.06517	2.5
109.10155	27.4
110.03676	3.0
111.04465	2.4
111.08079	5.5
113.06100	2.8
117.07000	2.3
119.08592	24.9
121.06457	2.0
121.10147	69.5
123.08096	4.1
123.11700	14.4
124.07590	1.5
125.05975	7.1
125.09644	1.8
130.24416	1.4
131.08578	9.1
133.10130	26.3
135.08156	2.2
135.11691	46.8
137.04741	2.7
137.05904	2.6
137.13289	2.5
139.07509	1.7
143.08496	1.8
144.09308	2.5
145.10106	10.1
147.11697	19.8
149.13260	98.2
151.07471	1.7
152.07072	40.9
153.09105	2.4
157.10086	3.0
159.11702	15.2
161.09604	3.2
161.13232	12.7
163.14810	22.6
165.09102	1.9
171.11711	2.2
173.13277	10.7
175.11313	2.7
175.14816	6.0
177.09152	1.9
177.12813	1.5
177.16428	2.6
179.10641	1.4
187.14845	9.8
187.16217	1.6
189.12793	2.3
189.16449	2.5
191.17935	9.7
197.13387	1.8
201.12706	1.6
201.16423	5.0
203.17961	8.6
204.18739	1.8
207.13809	4.3
215.14304	2.4
215.18013	2.2
219.13698	2.1
221.15378	3.4
225.16336	1.6
227.18056	3.9
229.15735	1.9
229.19504	29.0
233.15381	4.6
241.74112	1.4
243.25133	4.2
247.16969	5.1
257.22644	13.6
285.18939	2.0
285.22147	7.7
303.04919	5.7
303.16092	2.0
303.19589	6.3
303.23187	46.6
303.27179	18.8
303.30557	2.8
304.23737	1.6
329.37976	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	303.232
Annotation	(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid
Peak:m/z	Relative Intensity
53.03939	3.2
55.05273	1.3
55.05514	18.7
57.03436	2.1
57.07067	2.4
65.03932	2.0
67.05507	27.8
69.03398	1.3
69.07066	16.2
71.03802	2.2
71.04976	1.5
75.04455	1.6
77.03927	1.6
79.05025	1.2
79.05494	26.4
81.07059	74.2
83.04963	0.9
83.08625	7.3
85.06522	1.3
91.05483	20.5
93.07047	90.4
94.07394	1.0
95.04992	5.2
95.08610	79.7
97.06525	5.5
97.10171	7.1
99.04421	1.9
105.04500	1.6
105.07037	21.9
106.28300	0.9
107.08599	71.3
109.06530	4.7
109.10158	32.1
111.08092	5.4
111.11745	1.1
113.06042	4.1
117.07037	2.1
119.06094	1.6
119.08586	17.9
121.06495	2.8
121.10150	61.9
123.08089	9.9
123.11707	15.6
125.09649	1.9
131.08568	5.2
133.06467	1.5
133.10133	15.8
135.08043	2.6
135.11697	39.5
137.09627	4.1
137.13245	2.6
139.07532	2.3
139.11215	1.0
141.09088	2.6
143.08565	1.1
145.10104	8.1
147.08060	2.4
147.11693	16.4
149.13263	100.0
149.36349	1.0
151.14853	1.0
155.08551	1.3
157.10164	1.9
159.11697	9.1
161.09633	4.1
161.13257	10.2
163.11237	1.5
163.14830	34.3
165.09128	1.0
169.10135	1.0
171.11659	1.4
173.09590	1.1
173.13312	6.7
175.11249	5.4
175.14807	5.3
177.12769	1.3
177.16385	3.3
179.10590	1.0
187.14854	5.5
189.12799	3.0
189.16354	3.2
191.17944	9.4
193.12241	2.9
201.12715	1.2
201.16399	3.3
203.14308	1.2
203.17982	6.9
204.18672	1.2
207.13791	4.2
207.17441	1.0
211.14763	1.0
215.14354	2.2
219.13774	1.1
221.15308	3.1
227.18031	2.5
229.16025	2.2
229.19501	14.8
233.15428	2.8
243.17424	1.2
247.16881	4.9
257.22702	9.8
267.21103	2.9
285.22128	9.6
303.05328	1.2
303.23193	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2321
Annotation	(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid
Peak:m/z	Relative Intensity
55.05518	20.3
57.07063	2.9
62.71151	2.1
65.03919	2.8
67.05497	20.5
69.07068	15.9
70.11950	11.3
75.04458	4.0
79.05494	25.4
81.06593	4.6
81.07056	70.5
83.08611	7.3
86.00793	2.4
91.05492	19.1
93.07047	100.0
95.04971	5.0
95.08609	61.3
97.10162	7.5
99.04509	3.1
105.07040	26.5
106.45935	2.2
107.08603	77.1
109.10159	25.1
111.08068	4.2
113.06021	2.5
119.08598	23.8
121.09337	4.4
121.10148	63.4
123.11708	16.6
131.08594	7.7
133.10127	21.3
135.11703	40.8
135.87605	2.6
139.07558	2.4
145.10115	8.7
147.11723	20.9
149.13268	91.3
159.11729	14.0
161.13239	8.9
163.14877	18.0
173.13261	10.6
175.11342	2.9
175.14833	5.5
187.14836	9.0
189.12856	2.7
189.16463	3.8
191.17979	8.2
201.16420	4.3
203.18077	4.4
207.13795	4.3
226.62555	2.5
227.18068	2.9
229.19542	28.1
233.15413	4.7
247.16931	5.5
257.22577	13.0
264.63080	2.6
285.22186	8.2
303.23218	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2321
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
53.03939	2.3
55.01889	1.6
55.05275	1.6
55.05516	25.7
57.03427	2.8
57.07068	3.4
59.05003	2.1
65.03943	2.3
67.05196	2.2
67.05513	32.4
69.03430	2.7
69.07066	17.6
70.90043	2.9
71.04980	3.8
75.04460	3.0
79.05500	23.1
81.07062	78.3
83.08620	13.2
85.06510	1.9
86.34661	1.8
87.04455	1.7
91.05489	23.1
93.07048	100.0
95.04984	16.4
95.08614	68.1
97.06513	4.2
97.10179	8.5
99.04436	2.5
105.07043	34.5
107.04965	2.2
107.08603	76.4
109.06518	2.9
109.10162	30.6
111.08090	6.5
111.11664	1.9
113.06008	2.1
117.07011	4.1
119.08595	28.2
120.09327	1.9
121.06509	2.8
121.10154	60.6
121.65736	1.4
123.04430	2.0
123.08102	8.8
123.11716	15.1
125.09610	2.1
127.11191	2.7
131.08586	8.3
133.10136	25.0
133.15366	1.5
134.10895	3.2
135.08054	7.0
135.11703	35.3
137.09669	1.8
143.08577	1.7
145.10121	13.0
147.11688	20.3
149.09729	1.9
149.13269	77.0
151.07503	3.7
153.09047	2.1
157.10103	3.9
159.11710	18.8
161.09586	2.7
161.13257	13.2
163.14841	17.5
169.10136	2.2
173.13287	13.1
175.11249	2.7
175.14824	6.5
177.16373	2.3
179.10611	2.5
187.11211	3.1
187.14786	12.7
189.12813	2.4
189.16367	2.3
191.17976	5.5
197.13274	2.1
201.16394	6.3
203.14333	1.5
203.17889	8.0
207.13806	5.1
221.15405	3.5
227.18034	3.3
229.15938	2.5
229.19547	21.3
233.15350	4.0
247.16977	3.7
257.22629	11.6
285.18710	1.8
285.22244	7.3
303.04901	7.1
303.19592	9.5
303.23154	41.7
321.13660	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	303.2322
Annotation	(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid
Peak:m/z	Relative Intensity
52.64179	3.9
53.03946	6.2
53.08723	3.6
55.05516	21.5
67.05518	36.3
69.07064	15.4
70.99715	6.6
79.05505	28.6
81.06606	3.8
81.07069	70.5
83.08626	8.6
91.05485	17.8
93.06487	6.3
93.07053	95.5
95.04935	4.9
95.08614	89.6
97.06519	5.1
97.10156	11.3
105.07047	18.9
107.08607	62.7
109.10179	29.3
111.04440	4.1
111.08095	5.8
119.08578	16.1
121.06575	4.4
121.10145	52.8
123.08059	11.5
123.11707	14.5
131.08553	9.2
133.10106	21.6
135.07971	3.5
135.11703	35.4
137.09583	3.6
141.09088	5.8
145.10146	8.9
147.11703	18.8
149.13275	100.0
157.10107	4.0
159.08096	4.3
159.11722	11.7
161.13264	6.9
163.14842	34.1
164.66783	3.4
173.13286	10.8
175.11128	5.6
175.14893	6.3
177.16402	8.1
189.16357	4.4
191.17976	13.6
203.18034	6.8
207.13918	5.4
229.19563	9.2
232.88243	3.9
233.15337	4.1
247.16896	5.8
257.22650	5.8
285.22162	8.9
303.05048	8.1
303.19934	6.6
303.23212	43.6
303.30566	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	303.2319
Annotation	(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid
Peak:m/z	Relative Intensity
53.03944	3.1
53.95308	2.0
54.73867	2.0
55.05519	19.0
57.03439	3.2
57.07067	2.8
63.42300	2.0
63.57068	2.0
67.05505	27.1
69.07076	15.8
69.20947	2.2
69.41143	2.3
71.03912	5.4
75.04522	3.0
75.45074	2.1
79.05494	26.1
81.07067	77.6
83.08640	10.7
91.05492	19.9
91.48472	2.1
93.07053	87.2
93.40372	2.3
95.04985	8.3
95.08614	71.6
96.05415	2.2
97.06564	6.9
97.10177	9.1
99.04430	2.7
105.07027	31.8
107.08606	73.5
109.06567	2.7
109.10165	35.7
111.08092	6.2
113.06001	2.9
113.73342	2.1
116.80542	2.1
119.08592	20.8
121.06575	3.8
121.10158	65.2
123.08081	7.0
123.11705	18.0
125.09599	2.6
131.08594	8.3
133.10120	21.0
135.11725	42.6
137.13271	2.8
141.09068	3.2
143.08580	3.4
145.10112	8.5
147.11711	19.6
149.09660	4.0
149.13271	100.0
159.11705	13.7
161.09625	2.2
161.13255	16.7
163.14810	30.8
173.13281	10.6
175.11227	4.6
175.14848	7.7
177.16429	3.7
179.55786	2.4
187.14897	7.6
189.16422	4.7
191.17950	7.1
193.12178	2.4
201.16443	7.4
203.14316	2.2
203.18010	8.3
207.13889	3.0
211.14854	3.0
215.14232	3.1
216.48712	2.2
221.15355	4.3
227.17873	2.6
229.19521	20.2
233.15311	3.7
247.17062	4.6
257.22736	15.7
267.21048	5.7
285.22195	8.8
301.98605	2.5
303.20068	1.9
303.23224	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.232
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
51.56843	1.5
53.03947	4.5
55.01866	2.6
55.05519	10.3
58.09872	1.6
65.03938	2.2
67.05505	20.9
69.07069	7.4
79.05067	2.7
79.05495	31.0
81.07062	100.0
83.04967	2.4
83.08627	6.8
83.53715	1.7
91.05482	15.3
93.06484	2.9
93.07054	45.1
95.04971	4.2
95.08613	33.0
95.09182	2.9
97.06533	3.2
99.06096	1.7
105.06397	2.7
105.07038	31.0
107.08600	22.9
109.06543	6.9
109.10171	15.6
111.08076	9.9
112.27206	1.6
117.07023	3.5
118.02904	1.4
119.08569	22.4
121.10157	11.3
123.08070	4.3
123.11696	3.8
125.37286	1.7
129.06975	3.9
131.08562	11.0
133.10127	26.8
135.08069	3.1
135.11700	70.4
137.09601	3.2
143.08585	6.4
145.10138	12.4
147.11707	14.6
149.09555	2.5
149.13263	5.0
151.11201	9.1
155.08525	2.9
157.10184	7.1
159.11687	12.0
161.09619	2.7
161.13309	10.4
163.14832	5.9
169.10194	2.0
171.11731	4.6
173.13272	8.1
175.11198	2.6
175.14835	17.7
177.12801	5.2
177.16370	1.6
183.11739	3.5
185.13277	7.4
187.14841	6.6
189.12666	8.1
191.14288	3.4
193.15891	8.5
197.13293	5.0
199.14857	6.2
201.16515	2.0
203.14319	4.4
204.15181	12.8
205.15950	3.8
211.14850	3.8
215.18013	1.9
217.15874	4.2
221.15369	3.4
225.16296	3.1
227.17964	12.7
229.19525	6.5
245.18991	16.9
257.22665	3.1
267.21063	9.2
285.19199	1.8
285.22095	10.6
303.04926	2.3
303.19882	3.1
303.23181	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.232
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
52.58363	2.5
52.76724	2.6
53.03938	5.3
55.01871	3.6
55.05512	20.4
59.04999	2.7
59.64618	2.0
59.95361	2.0
65.03942	2.7
67.05512	34.1
69.03437	3.4
69.07079	13.6
70.98964	5.5
71.05000	7.0
73.31084	2.4
79.05500	41.5
81.07066	100.0
83.04995	5.2
83.08617	11.3
85.06524	5.0
91.05486	31.8
93.07050	75.4
95.04967	8.9
95.08612	62.4
97.06526	12.0
97.10162	4.8
105.07029	47.0
107.08602	49.0
107.88690	2.4
109.06536	14.8
109.10173	30.2
111.08089	19.2
117.07045	11.4
119.08588	35.3
121.06517	5.8
121.10137	22.9
123.08075	25.3
123.11694	10.1
125.09637	4.7
127.07597	2.6
129.07037	5.4
131.08585	21.0
133.10138	26.3
135.08047	10.0
135.11703	37.7
137.09619	8.4
137.13284	3.2
139.11140	2.5
142.47188	2.7
143.08572	7.7
145.10152	25.0
147.11694	21.0
149.09630	8.9
149.13271	12.0
151.11189	6.7
153.09116	10.7
155.08578	3.7
157.10138	12.7
159.11714	19.6
161.09702	2.8
161.13284	11.1
163.11172	6.4
163.14824	5.7
165.06999	3.1
165.12752	5.9
169.10106	6.3
171.11691	11.1
173.13225	12.8
175.11223	6.0
175.14900	13.6
177.12790	3.4
183.11639	6.2
185.13293	7.9
187.14861	7.2
189.12779	4.9
189.16435	3.1
191.14296	4.5
193.15996	3.2
197.13301	3.9
199.14771	5.4
201.16441	6.3
203.14304	4.7
203.34109	2.5
211.14871	4.0
213.16447	2.8
217.15857	4.2
225.16350	4.0
227.17905	12.4
229.15866	4.7
257.19040	3.5
257.22754	3.2
267.21155	13.5
285.22122	30.0
285.71051	2.5
303.19696	5.0
303.23169	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	303.232
Annotation	(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid
Peak:m/z	Relative Intensity
53.00780	2.7
53.03087	2.7
53.03939	3.8
54.11068	3.0
55.01870	6.0
55.05515	23.7
56.39005	2.6
57.07059	4.4
59.04990	4.0
67.05515	35.7
69.03424	6.1
69.07072	17.7
69.53178	16.6
69.53594	6.5
71.05014	4.2
73.22150	3.1
79.05500	32.1
81.07066	100.0
83.04986	11.0
83.08620	7.5
83.64715	2.7
85.06543	11.5
88.15760	2.9
91.05485	32.6
93.07050	59.9
95.04969	12.0
95.08620	56.0
97.06531	12.5
105.07046	68.0
107.05006	3.1
107.08603	66.7
109.06525	20.7
109.10167	52.1
111.08090	7.0
117.07014	10.0
119.08592	61.5
121.06493	7.2
121.10169	38.4
123.08099	15.9
123.11710	11.5
125.09644	14.4
129.07018	5.3
131.08574	20.2
133.10155	41.6
135.08057	7.0
135.11714	43.7
137.09644	12.8
139.11206	3.1
142.07770	4.7
143.08580	10.4
144.09346	3.6
145.10139	33.0
147.11679	32.5
149.09662	8.2
149.13280	13.9
151.11208	14.8
153.09163	4.9
155.08586	5.4
156.09384	3.3
157.10129	13.3
159.11717	34.2
161.09796	2.8
161.13281	24.8
163.11215	8.9
163.14880	5.3
165.09068	4.0
165.12753	5.8
167.10706	3.3
169.10187	6.2
171.11707	14.3
173.13232	18.9
175.11107	6.1
175.14839	11.4
177.12779	6.2
179.10764	5.7
183.11688	4.8
185.13283	12.5
187.14868	12.6
189.16377	5.7
191.14458	4.4
197.13301	5.2
199.14905	7.5
201.16397	21.2
203.14340	4.6
211.14780	8.5
213.16389	3.3
215.14224	3.0
215.17906	4.0
217.15967	5.5
221.15346	3.5
225.16544	3.5
227.17963	16.0
229.15953	4.2
245.19055	11.9
257.18835	3.8
257.22849	3.9
267.21097	20.0
281.64371	3.0
285.22128	34.9
303.23239	83.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2319
Annotation	(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid
Peak:m/z	Relative Intensity
53.03949	3.9
55.01864	7.1
55.05508	18.3
57.07066	2.5
59.04996	2.2
65.79868	1.9
66.45656	2.1
66.49917	2.0
67.05508	24.5
69.03450	10.6
69.07071	17.9
71.04552	4.8
71.04949	4.6
79.05496	31.8
81.07061	100.0
83.04524	2.4
83.04996	8.7
83.08604	6.2
85.06551	8.6
91.05477	28.3
93.07053	40.2
95.04968	12.1
95.08613	32.4
97.06526	10.4
97.10177	8.7
99.04472	2.5
99.08099	3.8
105.07034	57.2
107.08593	51.4
108.23494	2.5
109.06503	19.8
109.10155	32.8
111.08075	5.1
113.06007	4.9
117.07064	5.6
119.07815	3.5
119.08594	45.4
121.06561	4.1
121.10148	24.8
122.07357	2.3
123.08086	8.0
123.11708	8.6
125.09620	6.0
131.08604	13.6
133.10136	32.7
135.08081	6.9
135.11711	21.0
137.05936	3.1
137.09621	9.1
139.11140	2.5
143.08571	6.0
145.10127	20.8
147.11688	38.7
149.09605	6.0
149.13261	8.4
151.11169	21.7
153.01892	5.5
157.10139	9.5
159.11708	21.3
161.09595	2.6
161.13261	20.6
163.11182	8.0
163.14848	5.4
165.12744	14.0
171.11726	10.6
173.13197	10.6
175.11220	3.9
175.14766	14.7
177.12781	4.8
183.11678	3.5
185.13292	5.9
187.14777	5.0
189.16385	8.2
193.12164	2.3
193.15923	3.2
196.52550	2.4
197.13280	3.6
199.14813	3.5
201.16479	5.0
204.15100	3.1
211.14868	4.7
213.16432	2.5
215.18100	2.7
217.15909	4.5
225.16360	4.0
227.17996	8.8
229.15875	3.8
235.16927	10.1
245.19101	3.9
257.22504	3.1
267.21109	8.6
285.22119	14.6
303.04956	9.4
303.08398	3.6
303.20056	4.3
303.23221	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	303.232
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
53.03943	4.4
55.05266	1.9
55.05517	19.1
57.03445	1.5
57.07086	2.4
65.03951	1.4
67.05508	24.5
69.07075	13.7
70.08012	1.2
71.04996	1.8
75.04474	1.8
77.03933	1.8
79.05499	26.2
81.07063	65.6
83.08618	9.1
85.06542	1.8
91.05468	17.4
93.07052	100.0
95.04966	5.3
95.08613	62.3
97.06554	2.6
97.10152	8.1
105.04499	2.6
105.07037	24.5
107.08604	69.7
109.06528	2.2
109.10163	29.8
111.08096	7.6
113.05984	2.6
113.17876	1.3
117.07029	3.5
119.08590	22.9
121.10151	62.7
123.08087	3.4
123.11699	12.8
125.09657	1.9
131.08557	4.1
133.10147	16.2
135.11697	37.4
137.13318	1.5
139.07544	1.9
139.86792	1.2
141.09143	2.0
143.08553	2.0
145.10136	8.2
147.11696	15.5
149.13271	93.9
159.07936	1.5
159.11710	11.9
161.13280	12.5
163.14841	23.2
169.10068	1.6
173.13318	8.8
175.11238	2.2
175.14868	6.4
177.16438	2.3
187.14851	11.2
189.12735	3.6
189.16351	1.5
191.17970	7.3
193.12296	1.8
197.93002	1.4
201.16429	4.5
203.17972	5.2
204.18611	1.5
207.13789	3.1
215.14282	1.4
215.21829	1.2
221.15446	2.2
229.16022	2.0
229.19539	23.6
233.15443	4.3
247.16899	4.0
253.92278	1.8
257.22595	10.0
285.22040	7.3
303.23203	29.7
311.43857	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	303.2321
Annotation	(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid
Peak:m/z	Relative Intensity
53.03930	3.0
55.01869	4.1
55.05513	19.6
57.03436	3.7
65.03941	2.5
67.05183	2.0
67.05511	26.7
68.99775	1.8
69.03412	6.8
69.07070	17.8
69.31939	12.9
70.06595	3.8
71.04977	6.8
72.08141	5.9
79.05495	27.4
81.03358	1.9
81.07062	80.8
83.04989	7.9
83.08617	5.9
84.04504	1.8
84.08138	3.3
85.02904	4.3
85.06544	8.3
86.09709	14.7
87.10021	7.2
91.05479	20.6
93.07056	31.6
95.04984	11.1
95.08609	32.4
97.02882	2.1
97.06518	6.9
97.10176	8.4
99.04451	2.9
105.07039	44.2
107.04947	5.0
107.08603	41.1
108.05264	3.8
109.02885	2.2
109.05746	2.3
109.06508	13.9
109.10175	19.6
110.07151	3.0
111.00800	2.3
111.04414	5.0
111.08080	4.5
113.05991	2.3
113.09651	3.4
117.03392	2.8
117.07007	5.3
119.08589	38.1
120.08098	3.2
121.02814	3.5
121.06511	4.2
121.10152	18.8
123.08059	7.9
123.11724	9.7
125.09617	4.9
129.06972	2.6
130.06479	2.0
131.08551	5.9
133.10136	24.3
135.08046	6.4
135.11694	14.0
137.02318	7.9
137.09619	7.4
139.11189	4.5
143.08533	4.8
143.11832	2.9
144.12099	6.2
145.02847	3.0
145.10139	13.9
146.03172	4.7
147.08015	2.3
147.11699	27.2
149.09642	3.0
149.13260	6.0
151.11209	14.8
153.01813	10.3
155.08615	1.9
157.10098	7.0
159.11728	15.7
161.09601	2.2
161.13258	16.9
163.11154	8.0
163.14815	5.5
165.01857	3.9
165.12755	7.5
165.16577	1.8
169.10121	3.0
171.11667	6.3
172.11644	2.2
173.13286	7.5
175.11232	3.3
175.14885	8.0
177.05460	5.7
177.12737	2.1
178.05811	6.9
185.13173	4.2
187.14825	4.4
189.16422	5.3
192.89185	1.9
197.13338	2.5
199.14847	4.4
201.05557	3.6
201.16376	4.0
203.14304	3.3
204.15082	3.1
211.14825	3.0
215.17857	1.9
217.15857	2.8
225.16472	2.2
227.17999	5.2
229.04933	7.0
229.15877	3.1
235.16945	10.0
245.19014	3.5
247.06129	2.5
257.04453	5.0
257.22672	2.2
267.21103	5.0
268.22681	3.9
285.22150	10.5
286.14078	2.8
286.23590	3.5
303.05002	100.0
303.17017	4.5
303.23184	33.3
304.05313	3.2
304.24728	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	303.1744
Annotation	2,4-Bis(1-phenylethyl)phenol
Peak:m/z	Relative Intensity
55.05518	1.1
65.03905	0.6
67.05499	1.3
69.03422	1.9
69.07063	0.7
69.47955	0.5
70.39588	1.2
79.05495	3.0
81.07058	2.9
83.08581	0.8
91.05492	6.2
93.07072	3.8
95.04961	1.7
95.08080	0.5
95.08622	3.7
97.06561	0.5
103.05514	0.6
105.07047	8.2
107.04942	1.2
107.08611	4.3
109.06498	2.3
109.10145	1.2
115.05451	1.0
115.14506	0.5
117.07027	1.5
119.08594	2.2
121.06527	20.6
121.10135	1.1
123.08057	1.2
125.09657	0.6
128.06218	2.1
129.07043	2.7
131.04933	0.7
131.08588	12.1
132.05756	0.8
133.06520	1.2
133.10149	3.9
135.08055	5.3
141.06960	1.7
142.07762	1.7
143.08591	5.2
144.05754	0.8
145.06485	2.1
145.10156	5.0
146.07262	1.0
147.08054	1.6
147.11740	0.8
149.13217	0.8
150.82153	0.5
153.07002	2.0
154.07767	0.9
155.08549	4.9
157.10176	2.5
159.08083	6.2
159.11743	0.7
161.09657	3.6
165.07040	10.5
166.07808	1.1
167.08618	2.0
168.09344	0.5
169.10173	5.8
171.08052	4.5
171.11768	1.1
173.09633	3.2
179.08571	2.1
180.09372	9.3
181.10129	2.9
182.10979	0.8
183.11652	1.3
185.09618	1.0
185.13289	0.9
189.09113	0.6
193.10149	1.2
195.08052	0.7
195.09923	1.0
195.11717	17.3
196.12485	3.0
197.09660	2.0
199.14777	0.5
200.15579	0.7
203.08696	1.0
205.10101	0.7
207.11731	0.9
209.09818	0.8
211.11220	1.3
215.08791	0.8
216.09367	0.6
217.10193	1.3
218.10876	0.6
219.11658	1.4
221.09685	1.1
225.16304	0.8
228.09241	0.8
229.10164	1.2
230.11006	1.0
231.08073	2.3
231.11601	0.9
232.08836	2.4
232.12454	1.5
233.09621	1.8
233.13319	1.2
235.11263	3.4
243.11693	1.6
244.08839	0.8
245.09645	6.0
245.13312	1.8
246.10429	5.4
246.12833	0.7
246.13988	0.7
247.11203	4.9
247.14859	2.0
248.11971	2.2
251.50005	0.5
255.11853	1.1
257.13391	1.8
258.10538	2.3
259.11179	6.5
260.11978	7.5
260.15692	1.2
261.12799	8.9
267.17499	3.5
269.13354	0.7
270.13983	1.9
271.14877	0.7
273.12790	15.8
274.13565	5.1
275.14304	10.4
275.17883	2.6
285.16302	1.7
285.18839	1.2
287.14380	0.9
288.11807	0.9
288.15097	14.2
289.15692	0.8
303.17432	100.0
304.17935	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	303.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53716	1.2
55.01871	2.1
55.05514	4.4
56.05038	6.6
56.96301	1.3
56.96570	17.9
57.03434	1.4
58.06582	1.2
60.04517	3.6
60.05643	4.0
60.95847	1.4
65.05157	1.0
67.05499	2.5
68.05032	4.1
69.03426	2.8
69.07077	16.3
69.97459	5.0
70.02950	3.5
70.06601	29.6
71.04986	1.7
71.06924	2.3
72.07759	1.5
72.08161	26.2
73.04028	1.3
73.08476	1.4
74.02451	1.4
74.06071	4.3
75.05572	2.0
76.04001	6.1
78.81531	1.0
79.05508	2.8
81.03427	2.3
82.02925	2.1
83.06094	5.2
84.04522	9.7
84.08150	33.0
85.02901	3.3
85.04018	4.5
85.06543	1.4
85.08456	1.2
86.09715	100.0
87.05600	12.0
88.03989	4.9
93.04526	1.5
93.07035	2.3
95.04994	2.5
95.06075	2.1
95.08599	1.2
96.04478	1.3
96.08138	8.4
97.02902	1.9
97.06523	2.2
98.02439	9.8
98.06072	2.6
98.97573	2.5
99.04428	1.5
99.05576	1.8
100.99155	1.9
101.00911	7.5
102.05567	2.8
103.02473	1.5
105.07078	1.4
110.02422	4.3
110.07177	31.8
110.09684	3.2
110.97594	2.3
112.07655	2.0
112.08727	3.8
112.11242	3.0
113.00848	1.4
113.07957	1.3
113.10760	4.2
114.05580	2.3
115.02451	2.3
115.05057	2.9
115.08638	1.3
116.07092	3.8
118.08617	1.8
119.00204	1.3
119.01935	13.9
120.08129	4.7
123.04410	2.1
124.04005	1.5
127.03940	2.7
127.05039	10.0
127.08683	1.6
128.07095	2.2
128.98598	2.3
129.06583	1.4
129.10260	18.8
130.05022	2.6
130.06564	1.1
130.08675	3.0
131.01981	5.4
133.03476	3.0
137.03038	2.2
138.06625	1.3
138.09138	5.2
140.07109	1.7
140.08195	1.8
140.98586	1.9
141.03893	2.3
141.05270	3.3
141.10228	17.1
142.08762	1.5
143.01910	1.7
143.04517	2.2
143.11818	6.4
144.07704	1.4
144.98125	1.7
145.03464	4.9
145.04863	2.0
146.99634	1.7
147.07655	1.7
147.11394	1.8
149.02977	2.5
152.07155	1.6
155.01988	2.6
155.04549	4.7
155.11823	20.5
155.56693	1.3
156.07695	3.6
157.03410	1.7
157.13356	2.2
158.09219	1.5
159.05013	3.1
161.01259	1.2
161.02942	4.7
162.99219	1.8
165.00714	1.7
166.08650	4.6
168.98189	1.8
169.09694	1.4
170.08188	1.3
171.01402	3.3
171.08560	2.3
171.11340	4.2
172.07195	7.3
172.97601	1.5
173.02954	2.9
175.04619	1.5
175.11980	6.1
177.00768	1.1
177.02478	1.7
177.06102	1.4
183.01447	1.4
183.11305	21.3
185.02985	2.7
185.09294	2.3
185.12906	2.0
186.99176	8.5
187.04570	1.3
187.14456	1.5
189.02415	8.7
189.09558	2.7
189.12350	4.3
190.98618	3.8
191.04051	3.8
195.11337	1.6
199.10788	5.9
200.13960	73.0
201.02440	10.5
201.04121	1.9
201.06085	3.0
203.04013	3.3
205.00230	8.5
208.99643	5.5
213.02472	2.3
219.03499	3.3
221.05081	3.1
227.10306	4.4
228.13480	9.4
230.03410	1.1
231.03459	7.2
231.07248	1.5
240.13484	7.3
243.03484	2.4
244.13042	1.4
249.04649	2.9
257.22580	1.5
258.09491	1.1
259.06689	1.8
259.10132	2.9
261.04584	6.1
269.11310	6.3
273.04681	1.3
284.99271	1.8
285.04636	7.0
285.07343	1.6
286.14178	4.5
289.04114	1.3
303.05145	15.2
303.09158	5.2
303.12717	6.1
303.17606	10.3
303.20648	3.0
303.23456	2.2
304.13745	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	303.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94789	3.6
54.37268	3.7
54.66045	4.1
70.06595	33.3
71.06925	4.2
71.48868	6.4
72.08159	33.3
74.09731	8.5
78.95641	5.4
84.08143	30.8
85.01414	4.9
86.09702	11.1
94.93024	100.0
101.00906	14.3
103.02469	8.6
111.01458	4.2
113.00864	8.9
115.02435	10.8
118.03548	5.7
119.01945	17.9
120.05075	4.9
129.10254	18.9
131.01929	27.5
133.03497	11.6
140.08139	6.7
141.05176	10.8
143.01958	10.0
143.11855	4.0
144.99841	7.9
145.03467	17.2
145.05077	4.4
147.01381	5.5
155.01944	11.5
156.04152	10.7
157.03465	10.1
158.06660	5.0
161.02962	22.4
171.01389	4.7
172.99324	10.4
173.03052	22.4
175.04579	8.9
176.07722	8.2
177.02461	7.7
177.07718	5.7
179.00766	7.4
185.02888	9.3
187.05733	11.4
191.04108	6.8
193.00145	4.6
199.00969	10.6
200.07738	6.8
201.02477	9.0
202.91197	37.0
203.04033	6.7
205.06744	10.3
213.02475	6.4
213.07288	8.5
214.86789	4.2
218.88644	9.9
219.03517	15.2
220.98856	7.1
221.01909	4.5
221.05070	7.3
231.03577	11.6
233.05167	5.8
241.06668	4.5
242.99883	9.5
243.03564	9.5
244.03595	4.5
257.04721	5.7
261.01068	5.1
285.04800	4.7
303.01938	7.0
303.05258	41.8
303.08383	25.4
303.10745	22.7
303.13892	9.7
303.17523	6.9
303.20667	8.3
304.14063	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	303.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
59.44145	0.2
65.03938	0.6
67.01874	0.5
67.05496	0.5
68.99799	2.4
69.03443	0.3
69.54064	1.0
69.54479	0.4
79.05481	0.3
81.03423	0.9
81.07069	0.4
91.05497	0.4
93.03415	0.9
93.07078	0.2
95.04975	0.9
97.00832	0.2
98.21539	0.2
105.03376	0.3
105.07040	0.3
107.04981	0.3
109.02864	1.1
111.00820	1.7
115.05508	0.3
117.07007	0.5
121.02875	2.3
123.04459	0.9
127.03881	0.6
128.07608	0.2
129.07033	0.2
131.04996	0.4
135.04442	0.5
137.02354	8.2
137.03365	0.3
145.02783	0.3
145.06506	0.9
149.02347	1.0
153.01840	10.7
155.04947	1.3
155.06030	0.3
157.06543	0.2
159.04413	0.3
161.05969	0.8
163.03900	1.2
165.01849	4.1
166.02628	0.9
173.06009	1.5
177.01874	0.2
177.05447	0.4
179.03381	0.4
183.02892	1.5
183.04439	1.5
184.05333	0.2
185.07071	0.2
187.03889	0.9
191.03465	0.3
195.02884	0.4
201.05495	4.6
205.04941	0.5
211.04047	0.5
215.03305	0.2
219.02933	0.3
219.06564	0.6
228.04207	0.8
229.04979	10.6
232.03741	0.3
239.03416	0.4
243.07635	0.5
247.06096	1.3
257.04471	5.9
274.04849	1.8
285.01196	0.3
285.04028	2.6
285.08667	1.1
286.23743	0.2
303.05011	100.0
304.05365	2.0
304.25006	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0502
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03951	0.2
55.01867	0.3
59.06079	0.1
62.78165	0.1
65.03948	0.8
67.01861	0.6
67.05494	0.6
68.99443	0.2
68.99792	3.0
69.00167	0.1
69.03428	0.2
69.76518	0.7
72.08131	0.1
79.05493	0.5
81.03413	0.9
81.07043	0.6
86.07399	0.1
91.05478	0.3
93.03404	0.8
93.07042	0.5
95.04982	0.9
95.08591	0.4
99.04469	0.2
103.05475	0.3
105.03388	0.3
105.07033	0.7
105.23705	0.1
107.04978	0.3
107.08571	0.4
109.02875	1.1
109.06508	0.1
110.03627	0.2
110.07182	0.1
111.00816	2.2
111.04470	0.2
115.05431	0.2
117.07040	0.6
119.04921	0.2
119.08572	0.5
121.02872	2.0
121.10136	0.4
123.04423	0.7
123.08080	0.2
127.03886	0.3
128.06197	0.2
129.07005	0.2
131.04927	0.5
131.08528	0.2
133.02843	0.2
133.06500	0.3
133.10118	0.4
135.04398	0.4
137.02350	8.7
139.05492	0.2
145.02817	0.3
145.06493	1.1
145.10147	0.2
147.04395	0.2
147.11696	0.3
149.02351	1.0
153.01836	11.7
155.04936	1.3
155.06058	0.3
157.06494	0.1
159.04417	0.4
159.11748	0.2
161.05971	0.9
161.13278	0.1
163.03888	1.5
165.01840	4.6
165.07080	0.1
166.02599	0.6
173.02402	0.2
173.05988	1.6
177.01833	0.3
177.05487	0.2
179.03424	0.5
183.02898	1.5
183.04433	1.0
183.07950	0.1
183.11754	0.2
187.03856	1.1
191.03421	0.4
191.06987	0.2
195.02855	0.5
200.04738	0.2
201.05472	4.9
205.05028	0.4
207.02948	0.2
211.03947	0.4
213.05429	0.2
215.03452	0.2
219.02907	0.4
219.06558	0.4
228.04153	0.9
229.04971	10.3
230.05452	0.2
232.03687	0.2
239.03400	0.4
245.04527	0.2
246.05234	0.2
247.05991	1.6
257.04443	6.0
258.05267	0.1
267.02829	0.1
271.09726	0.2
274.04718	1.3
275.05441	0.4
285.03979	2.2
303.04996	100.0
304.05295	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	303.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
55.01852	0.2
55.05505	0.2
59.91696	0.1
65.03925	0.6
67.01849	0.5
67.05499	0.7
68.99793	2.6
69.03416	0.3
69.07060	0.4
70.06580	0.7
70.79819	0.3
71.01366	0.3
72.08152	0.4
75.05616	0.2
79.05485	0.4
81.03407	0.6
81.07039	0.6
84.08133	0.3
86.09708	3.4
87.10037	1.2
88.41761	0.2
91.05523	0.3
93.03407	0.6
93.07024	0.3
95.04968	1.1
95.08620	0.5
97.02872	0.2
97.06545	0.2
98.06071	0.2
105.03382	0.4
105.07030	0.4
107.01308	0.2
107.04958	1.5
107.08619	0.3
108.05291	1.4
108.06472	0.1
108.62833	0.2
109.02879	1.3
109.05508	0.7
109.06517	0.2
109.10171	0.2
110.05738	0.3
110.07139	0.3
111.00804	1.9
112.04021	0.2
113.07119	0.2
115.05450	0.3
116.07111	0.3
117.07024	0.6
119.04939	0.3
119.53513	0.2
120.08109	0.2
121.02879	2.4
123.04443	0.7
126.06597	0.2
127.03904	0.7
129.07091	0.2
131.04918	0.5
132.10181	0.5
133.02869	0.2
133.10477	0.2
135.04460	0.7
137.02350	7.6
137.03386	0.5
140.07033	0.2
143.11832	1.4
144.12193	1.3
145.02841	0.3
145.06444	0.8
145.10176	0.2
146.03241	0.2
147.04408	0.6
149.02325	0.7
151.03906	0.3
153.01834	10.3
155.04945	1.2
159.04411	0.4
161.05988	0.8
163.03880	1.5
165.01849	3.7
166.02632	0.4
171.11333	0.4
172.11682	0.2
173.06032	1.6
176.09103	0.2
177.01733	0.2
177.05473	0.4
178.05898	0.2
179.03444	0.4
183.02890	1.5
183.04446	1.0
187.03893	1.0
188.09183	0.2
191.03448	0.3
191.09727	0.2
192.09966	0.2
195.02869	0.5
201.05472	4.2
203.03386	0.2
205.05031	0.5
207.02943	0.2
211.03932	0.3
213.05507	0.3
215.03397	0.2
219.02890	0.3
219.06532	0.6
228.04172	0.7
229.04968	9.4
232.03510	0.2
233.04472	0.2
239.03458	0.4
245.04581	0.2
246.05309	0.2
247.06041	1.4
252.65836	0.2
255.12515	0.3
256.03824	0.2
257.04465	5.5
258.05194	0.2
268.22723	0.5
271.11911	0.5
274.04694	1.6
275.05536	0.3
285.03973	2.4
286.14163	1.7
286.23810	0.5
303.05005	100.0
303.16367	1.2
304.05307	1.8
304.24860	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0502
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01886	0.3
55.05511	0.2
65.03933	0.6
67.01870	0.3
67.05507	0.4
68.99793	2.4
69.03431	0.3
70.06586	0.5
70.94875	0.4
71.01377	0.2
72.08154	0.3
81.03429	0.6
84.08158	0.3
86.09719	2.0
87.10037	0.6
93.03415	0.7
94.18240	0.2
95.04975	0.9
97.02874	0.2
105.03391	0.4
107.04951	0.3
109.02900	1.0
111.00803	2.1
111.04487	0.3
115.05457	0.2
116.07100	0.6
117.07001	0.3
121.02858	1.8
123.04449	0.9
127.03920	0.3
129.03426	0.3
131.04953	0.3
133.06499	0.2
135.04391	0.4
137.02364	7.7
137.03407	0.5
137.06036	0.2
143.11815	0.3
145.02858	0.8
145.06480	0.7
146.03201	0.4
149.02393	1.0
153.01840	10.4
155.04918	0.8
157.06464	0.2
159.04347	0.3
160.42569	0.2
161.06026	0.8
163.03894	1.0
165.01851	4.4
166.02660	0.4
173.06015	1.7
177.05472	0.6
178.05827	0.7
179.03398	0.4
183.02892	1.3
183.04453	1.1
187.03932	1.0
191.03441	0.3
195.02898	0.5
201.05475	4.0
205.04872	0.2
213.05420	0.4
219.03069	0.2
219.06413	0.5
228.04152	0.7
229.04974	9.9
230.05328	0.3
239.03474	0.4
245.04477	0.3
246.04970	0.2
247.05983	0.9
249.33687	0.2
257.04486	4.6
274.04752	1.7
275.05453	0.5
285.03998	2.7
294.71964	0.2
303.05005	100.0
304.05304	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	303.0501
Annotation	Quercetin
Peak:m/z	Relative Intensity
50.36162	0.1
53.03944	0.2
55.01881	0.6
55.05511	0.1
57.03441	0.1
59.14591	0.1
65.03936	0.5
67.01852	0.5
67.05511	0.7
68.99445	0.2
68.99796	2.7
69.00172	0.1
69.03426	0.3
69.07078	0.1
69.47692	0.7
70.06596	0.1
71.01355	0.1
72.08183	0.1
79.05509	0.2
81.03426	0.8
81.07044	0.6
84.08124	0.1
86.09724	0.1
91.05508	0.4
93.03419	0.7
93.07044	0.3
94.06583	0.1
95.04966	1.0
95.08607	0.3
97.02885	0.2
97.06509	0.1
98.21538	0.1
103.05461	0.1
105.03403	0.3
105.07040	0.3
105.20490	0.1
107.01323	0.2
107.04950	0.3
107.08601	0.1
108.05286	0.1
109.02894	1.1
109.10168	0.2
110.03678	0.2
111.00056	0.1
111.00819	2.3
111.04417	0.1
115.05447	0.1
117.07018	0.6
119.04973	0.2
119.08563	0.1
121.02879	2.5
121.06494	0.1
121.10176	0.2
122.06055	0.2
123.04448	0.9
127.03915	0.4
127.05402	0.1
128.06210	0.1
129.06999	0.2
131.04947	0.5
131.08585	0.1
133.02849	0.2
133.06503	0.3
133.10120	0.1
135.04433	0.5
135.11687	0.1
136.07573	0.8
137.02353	8.0
137.03403	0.5
137.05936	0.2
143.04967	0.1
145.02863	0.2
145.06502	0.8
145.10123	0.1
147.04463	0.1
147.11707	0.3
149.02357	0.9
149.05981	0.1
151.03897	0.1
153.01836	10.8
154.02261	0.1
155.04913	1.1
155.06041	0.2
157.06580	0.2
159.04410	0.4
159.49852	0.1
160.07599	0.1
160.48145	0.1
161.05988	0.9
163.03899	1.4
163.07579	0.1
164.07076	0.3
165.01852	4.1
166.02649	0.6
171.03046	0.1
173.02356	0.1
173.06001	1.7
175.11290	0.1
177.01819	0.3
177.05519	0.3
177.08989	0.1
179.03409	0.3
183.02904	1.4
183.04456	1.0
184.05243	0.1
187.03934	1.1
191.03404	0.4
191.07063	0.2
193.05064	0.1
195.02954	0.5
200.04749	0.2
201.05475	4.6
203.03276	0.1
205.01392	0.1
205.04893	0.4
207.02873	0.3
208.46564	0.1
211.03844	0.5
213.05501	0.2
215.03444	0.3
219.02951	0.4
219.06451	0.7
228.04239	0.9
229.04973	10.1
230.05421	0.1
232.03651	0.1
239.03430	0.4
243.11221	0.2
245.04549	0.1
246.05251	0.1
247.06027	1.5
257.04474	5.5
258.05066	0.2
261.03958	0.1
274.04758	1.5
275.05441	0.3
285.03973	2.4
285.12396	0.3
285.22601	0.1
286.04776	0.2
286.23862	0.1
297.11475	0.1
303.04999	100.0
304.05362	1.6
304.24948	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	303.0415
Annotation	Unknow
Peak:m/z	Relative Intensity
63.20945	0.3
70.13819	1.1
82.99895	0.5
101.00896	3.4
119.01926	5.8
120.02052	0.3
137.02957	0.6
140.98851	0.7
158.99911	2.7
160.00095	0.4
177.00964	12.4
178.01028	1.3
179.00766	1.1
182.99921	1.2
199.02989	0.4
201.00946	3.6
201.12949	0.3
217.04080	3.0
219.02022	20.4
220.02200	1.6
221.01755	2.5
222.01741	0.3
225.00874	2.6
236.99910	0.3
242.99428	0.6
243.01996	10.7
244.02148	1.2
257.54196	0.3
258.99838	0.7
261.03079	100.0
262.03217	7.5
263.02942	1.3
282.99979	1.3
284.04749	1.8
284.99789	4.4
301.01135	1.6
303.00885	5.1
303.04596	1.8
320.97491	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03946	0.2
55.01875	0.6
65.03936	0.7
67.01862	0.4
67.05496	0.3
68.99450	0.2
68.99797	2.7
69.03437	0.4
70.06594	0.3
70.55267	0.2
70.55626	0.5
72.08167	0.3
79.05516	0.3
81.03434	0.8
84.08111	0.2
84.72540	0.1
86.09718	0.2
91.05447	0.2
93.03407	0.8
95.04977	0.9
99.85282	0.1
105.03420	0.3
107.04958	0.4
109.02894	1.3
109.86023	0.1
111.00817	2.3
117.07059	0.4
121.02877	2.4
123.04448	0.9
127.03930	0.8
131.04933	0.3
133.02815	0.3
133.06520	0.2
135.04407	0.5
137.02361	9.0
137.03415	0.6
143.04942	0.2
145.02817	0.3
145.06512	0.6
147.04391	0.2
149.02350	1.0
151.03873	0.3
153.01842	11.0
155.04921	1.2
155.06023	0.3
157.06465	0.2
159.04439	0.3
161.05981	0.8
163.03947	1.6
165.01855	3.8
166.02638	0.6
173.05969	1.5
177.01865	0.2
177.05428	0.2
179.03416	0.5
183.02907	1.4
183.04436	1.0
187.03914	1.2
189.05586	0.2
191.03438	0.4
195.02901	0.6
201.05490	4.6
205.04990	0.5
207.02902	0.2
211.03923	0.4
213.05460	0.3
215.03386	0.3
219.02815	0.3
219.06552	0.4
228.04233	0.8
229.04991	9.2
230.05489	0.3
231.02927	0.2
239.03400	0.4
247.06076	1.3
257.04474	5.2
274.04782	1.5
275.05432	0.3
279.33969	0.2
285.04025	2.5
303.05014	100.0
304.05341	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	302.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61633	0.5
54.87186	0.5
55.01898	1.0
55.05523	0.9
57.03437	0.6
60.80952	0.5
67.05510	2.7
68.05036	1.2
68.99802	0.6
69.07074	6.0
70.06590	2.2
70.84971	1.4
72.08141	1.1
75.05219	1.0
75.05609	10.6
79.05489	1.7
81.03462	0.7
81.07072	1.6
82.07407	0.6
83.83073	0.6
84.08160	0.7
86.09711	100.0
89.03905	0.7
91.05468	1.1
93.07044	1.1
94.07415	0.8
95.04991	0.7
95.08630	1.2
103.05493	0.6
105.07055	0.9
107.04967	3.4
107.08613	0.7
108.05297	1.8
109.10162	0.8
117.03403	1.6
119.08594	0.7
121.02844	0.6
123.04433	0.7
132.10213	11.0
137.02341	1.5
143.11807	75.7
145.02829	4.3
146.10580	0.8
153.01842	2.1
164.11557	1.2
164.54201	0.5
165.01826	0.8
170.08134	1.0
171.11290	18.2
177.05482	6.6
182.12582	0.7
188.09218	3.8
189.12407	2.3
201.05518	1.6
229.04947	2.3
257.04535	0.8
267.80624	0.6
274.04712	0.8
284.22153	2.4
285.14053	2.7
302.16562	3.5
302.19739	1.8
302.23285	2.2
303.05032	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	302.2077
Annotation	H-LEU-LEU-GLY-OH
Peak:m/z	Relative Intensity
54.61633	0.5
54.87186	0.5
55.01898	1.0
55.05523	0.9
57.03437	0.6
60.80952	0.5
67.05510	2.7
68.05036	1.2
68.99802	0.6
69.07074	6.0
70.06590	2.2
70.84971	1.4
72.08141	1.1
75.05219	1.0
75.05609	10.6
79.05489	1.7
81.03462	0.7
81.07072	1.6
82.07407	0.6
83.83073	0.6
84.08160	0.7
86.09711	100.0
89.03905	0.7
91.05468	1.1
93.07044	1.1
94.07415	0.8
95.04991	0.7
95.08630	1.2
103.05493	0.6
105.07055	0.9
107.04967	3.4
107.08613	0.7
108.05297	1.8
109.10162	0.8
117.03403	1.6
119.08594	0.7
121.02844	0.6
123.04433	0.7
132.10213	11.0
137.02341	1.5
143.11807	75.7
145.02829	4.3
146.10580	0.8
153.01842	2.1
164.11557	1.2
164.54201	0.5
165.01826	0.8
170.08134	1.0
171.11290	18.2
177.05482	6.6
182.12582	0.7
188.09218	3.8
189.12407	2.3
201.05518	1.6
229.04947	2.3
257.04535	0.8
267.80624	0.6
274.04712	0.8
284.22153	2.4
285.14053	2.7
302.16562	3.5
302.19739	1.8
302.23285	2.2
303.05032	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	302.2077
Annotation	H-LEU-LEU-GLY-OH
Peak:m/z	Relative Intensity
58.06609	0.7
61.12289	0.5
67.05503	2.1
68.05039	1.3
69.07074	5.6
70.06583	1.9
70.84232	1.9
72.08166	1.0
75.05610	10.7
79.05492	1.5
81.07078	1.4
83.04973	0.8
84.08125	0.7
86.09711	100.0
86.26220	0.6
91.05502	1.3
93.07030	1.6
94.07375	0.6
95.04999	0.8
95.08631	1.5
105.07073	0.7
107.04966	5.0
108.05307	3.9
109.05579	1.2
111.04479	1.0
112.04827	0.7
117.03385	1.7
119.08681	0.9
122.10529	0.8
127.37198	0.6
128.07047	0.7
131.08546	0.8
132.10208	11.2
135.11745	0.8
136.12033	1.0
137.02373	1.8
143.11807	73.2
145.02850	3.5
146.10475	1.0
149.05972	1.0
153.01860	2.5
164.11568	2.0
165.01871	0.7
171.11310	16.3
177.05472	5.1
182.12549	0.8
188.09224	2.7
189.12386	2.5
201.05460	0.7
229.05016	2.3
257.04587	1.5
284.22266	2.8
285.14011	3.5
302.16904	3.2
302.19788	2.1
302.23260	1.9
303.04993	21.8
303.08392	1.2
316.63895	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2077
Annotation	Ala Val Leu
Peak:m/z	Relative Intensity
55.05514	6.3
56.05045	0.8
61.23450	0.6
67.05509	0.8
70.06591	2.3
70.79552	2.0
72.08163	100.0
73.08491	1.0
84.04501	1.0
84.08156	3.2
86.09716	32.6
95.06110	0.9
100.07638	1.5
117.03397	1.3
118.08634	1.3
129.10326	1.1
132.10217	5.8
138.04266	0.6
143.11815	62.7
145.02873	1.8
157.13388	10.2
171.11308	25.1
177.05460	4.3
185.12863	4.5
203.13953	1.0
230.88336	0.7
231.17026	3.2
302.16849	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.3055
Annotation	Sphinganine
Peak:m/z	Relative Intensity
57.07079	8.2
58.06591	0.8
62.06081	0.4
69.81118	0.6
69.81511	0.7
70.06594	14.2
71.08646	3.2
85.10176	1.4
88.07631	18.9
102.09171	4.3
106.08671	9.5
124.92672	0.4
128.99515	0.3
145.17003	0.3
169.43001	0.3
177.77118	0.3
258.28043	0.7
272.06482	0.3
284.29501	7.0
302.30536	100.0
303.30838	1.0
309.65378	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19675	0.7
55.01857	1.1
55.05494	1.0
56.05030	1.4
60.89011	0.6
65.03934	0.9
67.01860	1.1
67.05501	2.6
68.05035	11.7
68.99794	1.3
69.03092	0.8
69.03435	10.7
69.07058	1.6
69.14733	1.9
69.15137	5.0
70.06599	4.1
71.04993	0.8
72.08163	6.2
79.05485	1.1
80.05009	1.6
81.03397	0.9
81.27941	0.6
82.06136	0.9
82.06585	14.9
84.04520	3.4
84.08145	7.7
85.02912	6.2
85.10902	0.6
85.68817	0.7
86.09712	24.8
88.03978	1.0
90.58609	0.7
94.06557	2.4
95.04980	4.1
96.04510	1.6
96.08134	2.1
98.06062	4.2
99.04458	18.0
103.38512	0.6
106.06530	1.9
107.04944	1.1
110.06062	5.3
111.00828	0.7
111.04437	1.4
111.06832	12.7
112.03935	1.1
112.07615	4.5
113.02354	2.3
113.06026	0.9
113.07069	0.6
115.03933	1.3
121.02837	1.4
123.04432	4.7
124.07598	4.3
127.03925	34.1
128.07095	9.5
129.10237	4.3
130.05019	5.6
131.03394	2.1
134.05998	2.3
135.04433	0.8
137.02351	5.0
140.07085	1.7
141.05540	0.7
142.08635	4.5
144.06540	3.5
145.04970	37.1
146.06087	1.2
152.07080	7.1
153.01831	5.7
158.08142	2.6
159.04381	0.7
161.05954	0.6
162.05493	0.9
164.06972	0.7
165.01869	1.6
165.48152	0.8
170.08131	100.0
171.08427	0.7
173.05940	0.8
177.05490	1.5
182.08147	0.8
183.04410	0.9
187.10765	1.3
188.09196	35.0
189.12325	1.7
192.06522	1.0
192.79073	0.8
199.18077	4.1
201.05492	2.1
206.08116	0.8
210.07581	1.6
218.05396	1.3
219.06476	0.9
224.09229	2.3
227.17480	1.3
228.04173	0.7
229.04980	5.1
238.07147	1.5
238.10785	2.3
242.10265	27.3
246.04796	1.8
248.09329	0.9
257.04471	2.0
270.09830	3.7
270.12485	0.7
274.04590	1.7
283.39059	0.7
283.42233	0.9
284.11288	2.0
285.03778	1.7
302.04459	4.2
302.12357	97.6
303.05017	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.3
55.54909	0.7
56.05025	2.6
60.04527	0.9
67.05511	1.9
67.41013	0.7
68.05033	50.1
69.03421	2.8
70.06603	1.4
71.02435	1.7
72.08138	0.8
79.05496	2.1
80.05022	3.0
80.46708	0.7
81.03405	2.1
82.06600	4.5
84.08131	1.1
84.61456	0.7
85.02908	2.2
86.09696	4.8
94.06519	0.7
95.04963	4.0
96.04505	6.6
96.08127	2.3
97.02876	0.9
98.06071	3.7
99.03858	0.9
99.04468	12.2
99.69210	0.7
104.34670	0.7
104.45940	0.9
106.06569	6.9
107.04976	3.0
109.02836	0.9
110.06059	7.3
111.04453	3.2
111.06845	1.1
112.03972	1.2
112.07597	1.4
115.03900	1.0
122.06031	1.0
123.04429	6.2
124.07592	7.0
127.03932	13.6
128.07088	29.5
134.06013	5.2
140.07053	1.3
141.05455	0.9
142.05016	1.5
142.08650	0.9
144.06551	2.8
145.05000	3.8
152.07079	25.6
158.08182	1.9
160.09688	3.0
170.08134	53.5
188.09193	82.2
242.10236	1.1
284.11124	1.1
302.12363	100.0
303.12640	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	302.1502
Annotation	H-Pro-Trp-OH
Peak:m/z	Relative Intensity
53.03947	0.9
53.94184	0.6
55.01870	1.9
55.05505	1.8
56.05035	0.9
57.03441	0.7
60.04519	0.9
67.05505	2.0
68.05029	1.5
69.07058	1.2
70.06599	40.5
71.04964	0.8
71.49777	0.7
72.08163	7.5
73.08495	0.6
79.05494	2.3
80.05811	1.0
81.07047	1.5
82.07409	0.7
83.04971	1.0
83.06084	0.7
84.04484	1.4
84.08157	6.5
86.09715	6.4
88.03983	0.9
89.03919	1.4
91.05486	2.7
93.07036	1.5
94.07388	1.0
95.06089	1.4
95.08604	0.7
97.06551	1.1
98.06066	0.8
105.07053	0.9
107.04965	4.3
108.05338	0.8
111.04448	1.2
114.05540	19.3
115.05442	3.7
116.07102	19.2
117.03385	3.5
117.05763	3.5
118.06591	1.3
119.08621	0.7
120.08092	1.9
121.06410	0.6
121.10164	0.9
122.10466	0.8
125.07129	6.2
126.06670	0.8
129.10260	1.7
130.06544	20.2
132.08101	49.6
135.04387	0.7
135.11694	0.8
136.06171	1.2
137.97545	0.7
141.10266	1.4
142.06525	7.8
143.07256	0.8
144.07013	1.2
144.08092	16.2
145.02846	7.6
146.10522	1.2
149.06032	1.4
152.08224	1.7
159.09192	100.0
160.07597	3.9
160.09631	0.7
163.03865	0.9
164.11497	1.3
170.06017	23.5
170.08182	1.3
171.07664	4.6
172.07562	4.1
174.09827	0.7
175.45813	0.6
177.05486	13.5
184.07397	1.1
184.10820	2.3
188.07173	1.2
231.92038	0.7
239.11951	1.0
243.11272	1.0
256.11853	0.8
257.12918	3.1
285.12360	47.6
302.11804	0.9
302.14511	3.3
302.17569	0.8
303.04926	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	301.2528
Annotation	Allylestrenol
Peak:m/z	Relative Intensity
53.03954	3.4
55.05509	11.9
57.07066	3.6
58.51649	1.3
61.55140	1.4
67.05509	25.6
68.61346	1.5
69.03428	2.5
69.07076	15.5
71.50448	2.6
71.50807	1.5
77.03904	1.7
79.05499	16.8
81.07066	62.4
83.04985	2.1
83.08605	5.2
85.06545	3.1
91.05481	17.9
93.07057	39.0
95.04977	4.2
95.08615	56.0
97.06530	3.6
97.10157	5.2
99.08098	1.7
105.07043	38.1
107.08604	43.0
109.06516	4.6
109.10162	39.1
111.08083	3.4
111.11671	1.8
117.07011	6.3
119.08591	35.6
121.10169	26.4
123.08031	2.3
123.11706	13.7
125.09630	3.4
129.07028	2.8
131.08569	12.2
133.08379	1.5
133.09158	1.5
133.10130	25.5
135.08073	2.5
135.11703	21.0
137.09596	3.5
137.13237	4.9
139.11166	3.9
143.08586	8.2
144.09370	1.8
145.10152	19.2
146.11018	1.5
147.11711	21.5
149.09593	2.0
149.12207	2.2
149.13290	22.2
149.51573	1.6
151.11197	5.4
153.12737	2.0
155.08519	2.2
156.09302	1.7
157.10146	11.4
158.10944	3.0
159.11710	20.3
161.13272	19.9
163.11201	4.6
163.14804	8.0
165.12730	5.8
169.10109	2.3
171.11719	10.0
173.13283	18.5
175.14839	13.8
175.17186	1.5
177.12741	3.0
177.16379	4.2
179.14325	2.0
181.05040	1.7
183.11688	2.1
185.13263	5.4
187.14832	12.4
189.16403	4.6
191.14374	3.6
193.15993	2.2
197.13309	2.2
199.14848	8.5
201.16405	7.6
203.17972	5.7
205.15913	2.2
211.14847	1.7
213.16289	7.1
215.17955	6.8
217.19438	1.8
220.95857	1.9
227.18016	12.9
229.19536	1.8
231.17485	2.5
241.19510	5.1
243.21056	17.0
245.19017	3.1
255.21104	6.1
273.25647	1.5
277.63492	1.7
283.20993	3.0
283.24213	37.4
286.04810	2.0
290.31775	1.9
301.18048	4.8
301.21826	6.3
301.25253	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2166
Annotation	(+)-Cedronellone
Peak:m/z	Relative Intensity
53.03949	3.6
55.01857	7.1
55.05518	18.7
57.03431	6.3
57.07064	2.4
59.05006	2.2
65.03921	3.6
67.05511	64.7
69.03426	5.1
69.07075	29.7
70.90595	2.0
71.04987	7.1
71.50824	3.5
71.51217	2.1
79.05492	19.2
81.03416	5.2
81.07063	39.9
83.04985	6.8
83.08620	6.7
85.06548	5.9
91.05090	1.8
91.05496	23.4
93.07058	37.0
95.04975	27.7
95.08611	31.8
97.06538	5.5
105.07050	29.0
107.04963	5.5
107.08601	54.0
109.06511	16.3
109.10169	94.3
111.08086	5.7
113.09638	5.1
117.07000	10.0
119.04933	3.5
119.08595	82.9
121.06507	9.3
121.10152	18.0
122.07290	6.3
123.08089	18.9
123.11691	6.5
125.09663	3.2
129.07027	4.3
131.08597	12.6
132.70018	2.0
133.10172	14.1
135.08070	33.2
135.11700	12.5
137.05995	3.1
137.09625	59.6
138.08276	2.1
139.11179	3.2
142.07787	2.6
143.08557	9.4
145.10161	21.6
147.04445	5.0
147.08054	4.7
147.11691	9.5
149.09619	7.1
151.07558	3.5
155.08566	3.2
157.10153	10.2
159.08156	2.3
159.11697	10.2
161.09679	11.3
161.13269	10.4
163.11224	9.5
163.14822	2.2
165.09102	2.5
165.12752	10.7
169.34026	2.3
171.11690	7.2
173.13298	9.2
175.11176	2.8
175.14821	4.5
181.04958	11.6
181.12285	4.5
185.13318	5.1
187.14832	3.3
189.12862	2.4
191.14322	81.9
192.14497	2.7
193.12282	5.4
195.11591	2.6
199.11505	2.3
199.14853	7.5
201.12907	3.0
205.15868	6.6
213.16434	3.1
217.15840	5.6
221.15395	7.3
225.16469	2.9
227.17961	3.1
255.21135	16.6
283.20645	11.5
286.04852	11.3
301.07166	6.8
301.10684	5.6
301.16312	8.5
301.21674	100.0
301.25061	5.6
302.21759	2.5
317.28973	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	301.2164
Annotation	20,14-retro-retinoic acid
Peak:m/z	Relative Intensity
53.03942	1.7
55.05520	5.9
55.40822	1.5
57.07080	8.4
59.05002	1.2
59.93349	1.2
60.04509	1.6
66.24416	1.1
66.49094	1.1
67.05510	8.2
69.03419	2.0
69.07060	4.8
69.54305	1.9
69.54707	6.8
70.06595	11.3
71.04977	1.2
71.08621	3.2
72.01358	1.1
72.08148	1.2
72.14888	1.0
79.05490	7.1
81.07055	9.9
83.04969	2.1
83.08601	2.1
85.06542	2.2
85.10196	1.5
86.06036	2.0
88.07642	17.4
91.05487	10.8
91.96281	1.2
93.07048	10.2
95.04965	4.0
95.08627	9.9
97.06513	2.3
98.20835	2.4
100.07633	2.2
102.09196	2.7
105.07034	17.5
106.08695	9.3
107.04964	2.0
107.08609	14.3
109.06522	7.5
109.10158	10.1
117.06987	5.6
119.08598	20.6
121.06494	3.0
121.10155	10.3
123.11710	2.2
128.06244	2.4
129.07004	2.5
130.07793	1.7
131.08566	15.9
133.10130	12.6
135.08040	6.6
135.11702	4.0
143.08618	7.7
144.09343	3.4
145.10132	17.9
146.07306	3.3
147.08008	2.1
147.11722	5.7
149.09628	1.3
149.13321	2.3
156.09325	1.6
157.10136	4.5
158.10919	4.7
159.08054	1.8
159.11760	6.1
161.09627	18.1
161.13290	1.8
163.11143	2.1
169.10133	1.6
171.11694	3.9
173.13277	27.0
175.14812	4.3
179.08629	2.1
181.04977	1.8
183.11659	3.0
185.13228	1.8
187.14778	1.2
189.12698	1.5
191.14362	8.6
194.10771	1.5
195.11697	1.7
197.13239	2.6
199.09570	1.3
199.14838	5.0
201.12738	1.4
201.16351	2.3
209.13277	3.2
219.17145	1.5
223.14894	1.6
227.14417	1.9
239.10831	1.2
241.13437	1.5
255.21082	5.3
265.19452	2.3
269.12827	8.1
283.20547	5.0
283.28052	6.6
284.29477	6.2
286.04688	2.2
301.07098	3.0
301.10562	1.8
301.18329	2.2
301.21689	17.0
301.29269	4.3
302.30548	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2163
Annotation	3,11-Dioxo-labda-8(17),13(16),14-triene
Peak:m/z	Relative Intensity
51.54247	1.2
53.03939	3.2
54.61722	1.2
55.01860	3.3
55.05514	19.8
57.03433	3.5
57.07065	1.3
59.05008	2.5
62.61129	1.2
65.03931	2.2
67.05508	62.5
69.03421	4.4
69.07064	23.4
69.87839	1.4
70.97061	1.7
70.97405	3.0
71.04996	2.8
79.05501	14.4
81.07063	35.0
83.04995	3.0
83.08614	4.5
85.02886	1.9
85.06571	1.9
91.05482	23.0
92.75719	1.4
93.07043	24.7
95.04971	25.5
95.08607	24.0
97.06523	5.7
97.10191	2.7
98.49851	1.4
105.07032	22.1
107.04979	4.2
107.08591	46.9
109.06532	12.6
109.10157	85.8
111.08085	2.1
117.07002	7.8
119.04928	3.9
119.06050	1.7
119.08586	61.8
121.06512	5.5
121.10139	12.3
122.07286	8.1
123.08071	22.6
123.11720	4.7
129.06993	2.4
131.04884	1.6
131.08569	8.1
133.06540	1.6
133.10161	11.8
135.08057	37.0
135.11711	6.5
137.09621	60.3
143.08539	3.5
145.10146	14.9
147.04503	1.8
147.08101	3.1
147.11688	6.0
149.09622	6.3
149.13284	2.4
151.07555	2.7
156.09386	1.7
157.10139	5.7
159.11729	7.9
161.09621	8.9
161.13281	5.9
163.11180	7.0
165.09125	2.6
165.12758	10.1
169.10210	1.6
171.11684	4.4
173.09642	2.2
173.13281	5.9
175.11098	3.2
175.14795	2.4
176.12010	2.9
177.12839	1.7
181.04941	3.4
181.12219	1.9
183.11615	1.9
185.13329	2.8
187.14876	1.7
191.14316	100.0
193.12270	2.1
195.11714	1.7
199.14818	4.0
201.12616	1.6
203.14287	1.8
205.15903	7.4
209.13361	2.3
213.12769	3.1
217.15904	5.6
221.15419	6.8
245.13725	1.7
255.21114	3.7
283.20413	7.0
286.04956	2.4
301.07001	3.7
301.10532	2.9
301.14047	2.4
301.21658	75.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2164
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
53.03938	2.9
54.25856	1.4
55.01870	3.4
55.05512	15.1
57.03425	4.0
57.07055	1.8
59.42398	1.2
65.03937	3.1
65.37062	1.4
67.05508	34.9
69.03448	3.1
69.07068	11.5
70.06593	1.5
70.62688	3.6
71.00938	1.3
71.04981	5.4
72.08141	4.6
79.05076	2.0
79.05499	28.4
81.03416	1.6
81.07061	55.2
83.04984	8.9
83.08611	4.9
84.04485	2.2
84.08160	1.5
85.06529	3.9
86.09693	3.6
91.05488	32.2
93.07047	61.6
95.04987	10.3
95.08614	58.3
97.06531	11.0
99.04468	3.2
99.08094	1.6
105.04533	2.5
105.07034	62.4
107.04948	9.7
107.08602	42.6
109.06511	7.8
109.10162	24.5
111.04427	6.8
111.08069	5.8
113.05997	2.2
115.36552	1.3
117.07033	12.5
119.04977	1.5
119.08585	58.4
121.06516	5.5
121.09332	2.6
121.10147	32.9
123.08059	4.6
123.11701	6.1
125.05971	1.4
125.09619	3.0
128.06192	1.6
129.07001	5.6
130.05016	1.3
130.07785	2.1
131.08569	27.9
132.10301	1.6
133.10133	38.4
135.08075	6.4
135.11693	15.0
137.09605	5.0
141.09030	1.6
142.07771	1.8
143.08554	9.9
144.09344	2.2
145.06477	1.7
145.10133	48.7
146.10814	2.6
147.08014	3.3
147.11688	36.9
149.09616	5.8
149.13251	4.0
151.03935	2.5
151.11182	3.9
153.12735	2.2
155.08495	3.2
156.09377	2.7
157.10139	17.5
158.10855	1.8
159.08078	2.7
159.11694	30.4
160.12378	3.5
161.09605	3.8
161.13251	23.8
163.11191	14.8
169.10110	3.7
171.11714	10.9
173.09596	5.6
173.13280	16.5
175.11209	6.1
175.14825	3.4
177.12672	3.0
179.10568	1.6
181.04878	1.9
181.12276	4.0
183.11700	2.2
185.09752	1.8
185.13268	9.7
187.11172	3.3
187.14850	14.9
189.12764	3.2
189.16423	8.3
191.10678	5.6
193.12251	3.8
195.11623	2.6
199.14822	12.5
201.12772	3.9
201.16411	20.5
202.17151	6.8
205.12280	2.3
207.13809	2.9
209.11700	2.5
209.13408	2.4
213.16351	3.5
215.14299	1.4
219.13812	2.5
223.14844	1.9
225.16418	4.3
227.14485	3.4
227.17926	10.9
241.15807	2.7
241.19598	2.3
245.15385	3.9
255.18227	2.1
255.21059	19.0
259.20865	1.6
265.19592	4.0
283.20602	16.9
286.04657	3.2
301.07010	4.2
301.10739	3.6
301.16473	6.8
301.21622	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2164
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
53.03946	3.2
54.19598	1.9
55.01867	3.7
55.05519	13.5
57.07069	2.4
62.73030	1.9
63.34167	1.7
65.03936	2.2
67.05510	28.3
69.07067	11.7
71.05000	3.5
71.09049	3.7
71.09375	2.3
77.03917	2.3
79.05501	19.9
79.24770	1.7
81.07066	46.6
83.04973	3.6
83.08633	2.2
91.05477	26.7
93.07050	42.0
95.04990	7.1
95.08614	56.1
96.55241	1.8
97.06523	4.7
97.10184	3.5
99.04431	3.3
105.07038	51.8
107.04975	4.8
107.08614	37.5
109.06536	4.7
109.09459	3.7
109.10159	34.9
111.04436	4.2
111.08089	6.1
113.06064	2.6
117.06994	9.9
119.08587	45.1
121.06527	3.1
121.10157	27.7
123.08057	5.4
123.11751	9.2
125.06039	3.1
125.09615	2.7
128.06238	2.9
129.07013	4.9
130.07813	4.9
131.08580	29.4
132.09372	2.4
133.10143	27.6
135.08046	4.5
135.11717	11.7
137.09537	2.0
142.07780	3.0
143.08539	11.2
144.09323	2.7
145.10123	62.5
146.10907	3.6
147.08008	2.1
147.11691	33.2
149.13278	5.1
151.11136	2.4
153.09148	2.1
155.08569	3.4
157.10123	13.4
159.11703	33.7
160.12387	4.6
161.09634	11.0
161.13277	23.9
163.11214	5.1
163.14912	3.5
165.09114	2.3
171.10439	2.0
171.11696	11.2
173.09636	3.6
173.13312	16.4
174.14125	2.0
175.11192	5.9
179.10692	2.6
181.12242	2.9
185.09660	4.6
185.13258	9.8
187.11217	3.6
187.14828	28.6
189.16411	5.5
191.10770	3.1
193.12335	4.3
197.13225	2.8
199.14819	12.3
201.16380	56.5
202.17191	25.6
203.17938	3.0
205.12292	6.8
213.16333	6.3
221.15544	2.2
225.16457	2.9
227.14398	5.0
227.17900	16.7
231.13808	3.2
245.15408	5.4
255.21082	31.1
263.63544	2.1
265.19623	2.8
283.20502	13.5
286.04691	3.6
288.14355	2.4
301.06808	3.5
301.16156	4.3
301.21655	100.0
302.21988	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	301.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.7
55.01871	20.6
55.05515	19.0
57.03441	39.1
57.07064	3.1
62.94892	2.7
65.03937	7.1
67.05511	91.1
69.03433	2.6
69.07073	15.0
71.04998	6.5
71.32329	4.4
79.05500	100.0
81.03420	11.8
81.07059	63.1
83.04991	42.5
83.08620	8.0
85.02891	6.1
85.06544	10.8
86.09740	3.5
91.05479	45.3
93.07050	84.8
95.04964	24.5
95.08613	27.9
97.06532	23.1
99.04459	8.2
104.02906	2.4
105.07037	17.4
107.04960	66.1
107.08610	37.2
109.06499	8.5
109.10151	10.6
111.04451	45.2
111.08090	12.5
117.07015	28.0
119.08592	29.3
121.06493	8.8
121.10152	69.0
123.04420	4.4
123.08048	6.8
125.06008	5.4
129.06975	5.4
130.07787	4.4
131.04922	7.3
131.08582	21.2
133.10074	2.7
135.08040	4.5
135.11708	52.0
143.08620	3.9
145.06499	13.3
145.10136	77.9
147.08049	4.9
147.11757	3.5
149.09604	13.7
151.02223	2.7
153.12781	27.9
155.08528	11.2
158.07257	2.5
163.11189	86.8
165.09044	3.7
173.09647	51.2
181.12248	39.6
191.10687	54.6
209.11700	24.5
227.12782	19.4
230.99297	2.5
265.14554	3.8
265.37024	2.6
274.92554	2.5
283.15378	11.1
301.16479	80.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2168
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
51.68843	2.4
54.71958	2.7
55.01877	3.2
55.05509	18.7
57.03424	4.3
61.84564	2.7
63.15189	2.5
65.03934	3.0
66.60831	3.1
67.05511	33.9
69.07063	13.6
70.43780	8.0
71.04965	3.7
79.05151	2.5
79.05507	33.2
81.03444	2.8
81.07060	62.1
83.04974	7.4
83.08622	5.5
84.08105	3.2
85.06536	2.9
91.05501	36.0
93.07053	49.0
95.04969	6.5
95.08611	59.6
97.06535	7.7
97.10090	2.5
99.04446	4.5
105.07033	61.1
106.52134	2.8
107.04942	9.2
107.08608	44.4
109.06489	5.1
109.10169	37.5
111.04449	9.6
111.08092	7.3
117.06274	2.6
117.07007	17.7
119.08595	60.5
121.06505	6.4
121.10153	30.9
123.08066	8.4
123.11690	11.7
129.06972	6.5
130.07758	3.3
131.04927	5.0
131.08571	31.9
133.10143	33.8
135.08090	6.9
135.11662	15.9
137.05933	3.1
139.07584	3.4
141.06944	3.1
142.07729	4.1
143.08527	12.0
145.09052	5.2
145.10132	65.2
146.10893	3.8
147.04436	4.9
147.08058	8.8
147.11699	35.8
148.76402	3.0
149.09619	4.3
149.13220	6.5
155.08595	4.1
157.10152	21.1
159.11714	43.9
160.12457	6.4
161.05902	3.4
161.09615	10.2
161.13239	28.6
163.11218	8.7
163.14787	5.4
165.09132	3.7
169.10143	4.3
171.08138	4.6
171.11783	14.3
172.12434	3.1
172.41957	2.7
173.09642	10.1
173.13280	34.4
174.14088	3.4
175.11180	8.0
175.14819	9.6
181.04936	7.3
183.11726	5.6
185.09621	14.8
185.13319	9.8
187.11197	6.1
187.14832	37.4
189.16377	14.2
191.10689	7.0
193.10303	2.6
193.12178	3.4
197.09734	3.0
197.13284	3.0
199.11201	5.5
199.14845	16.4
201.16380	53.7
202.17192	32.6
203.18001	16.7
205.12263	5.0
207.13875	2.5
209.13257	8.0
213.12729	7.5
213.16434	6.9
219.13748	3.4
227.14337	10.9
227.17967	11.8
241.15904	5.7
245.15387	6.2
255.17540	2.9
255.18536	3.7
255.21071	31.0
265.19620	5.9
273.14825	3.4
283.20621	44.3
286.04785	9.4
286.13379	2.6
301.07071	12.1
301.10608	3.1
301.14575	8.5
301.16263	6.9
301.21649	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	2.7
53.03934	8.2
53.27007	2.4
54.59828	2.3
55.01873	22.5
55.05514	31.9
57.03196	3.3
57.03441	43.4
57.07074	3.9
58.85821	2.6
62.16342	3.4
65.03926	9.2
67.05508	97.8
69.03401	3.4
69.07080	17.2
69.22343	13.1
69.22768	13.6
70.06583	3.1
71.04985	9.7
77.03918	3.7
79.05500	100.0
81.03432	14.5
81.07065	66.5
83.04983	40.3
83.08597	11.8
85.02898	5.6
85.06545	11.5
91.05484	55.2
93.06488	5.0
93.07053	86.7
95.04986	25.5
95.08609	32.3
97.06532	28.6
97.10166	6.6
98.21555	6.4
99.04471	7.7
103.05454	3.7
105.07032	23.0
107.04965	67.2
107.08606	43.3
109.06497	7.2
109.10159	19.3
111.04445	51.0
111.08073	13.0
112.91685	2.7
117.07025	26.8
119.08589	39.6
121.06486	9.2
121.10156	80.1
123.04425	4.0
123.08057	6.2
125.06004	7.8
125.09630	5.5
129.06964	8.5
130.07784	8.4
131.04922	9.1
131.08566	21.1
132.68393	2.5
133.10156	5.7
135.08102	4.9
135.11703	63.5
137.79236	2.4
145.06465	8.8
145.10130	76.3
147.08044	6.3
147.11722	6.7
149.09586	13.1
153.12746	22.4
155.08582	13.6
163.11200	93.4
173.09639	47.8
175.07524	3.0
181.04929	3.7
181.12257	46.2
191.10663	54.6
209.11766	22.2
227.12766	21.0
227.17982	3.1
245.13974	4.0
254.39172	2.9
255.21054	11.6
265.14182	4.0
271.14908	2.8
283.15424	10.3
286.04788	4.4
287.97327	2.8
301.06961	3.7
301.16467	95.8
301.21350	12.8
302.30515	14.2
314.46954	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	301.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	10.1
55.01869	21.2
55.05275	2.2
55.05516	27.1
57.03442	38.0
65.03934	6.8
67.05510	88.2
67.23141	2.2
69.03445	2.7
69.07069	18.4
69.38597	14.6
70.06589	3.2
71.01362	2.0
71.04997	9.0
72.08153	4.2
73.02919	2.6
74.07590	1.7
77.03899	2.2
79.05500	100.0
81.03426	13.3
81.07066	70.2
83.04989	41.7
83.08630	9.0
85.02919	5.3
85.06557	13.1
86.09693	3.5
91.05489	39.4
93.07051	85.0
95.04982	24.3
95.08063	2.8
95.08613	35.4
97.06532	27.2
97.10178	2.0
98.57761	1.9
98.97584	2.4
99.04463	9.7
101.02347	1.9
103.05457	2.4
105.04550	3.5
105.07031	29.7
107.04963	65.5
107.08598	43.9
109.02861	2.7
109.06551	9.9
109.10174	13.5
111.04455	57.5
111.08086	14.4
113.06023	2.6
115.05476	2.3
117.07024	32.0
117.22916	1.6
119.07811	3.0
119.08590	39.5
120.04481	2.1
121.06525	9.2
121.10151	71.7
122.83030	1.7
123.04431	5.1
123.08060	6.5
125.05999	8.0
128.06233	3.6
129.05540	2.4
129.07019	10.9
130.07817	4.4
131.04918	6.9
131.08588	26.9
132.05711	2.7
133.10155	11.9
135.04457	2.9
135.08037	8.0
135.11703	69.0
137.09636	2.8
142.07835	2.5
143.08539	5.6
145.06525	13.8
145.10130	85.4
147.08044	7.0
147.11716	11.8
149.09639	14.4
151.03973	2.6
153.06950	3.8
153.12740	22.3
155.08565	19.7
157.10136	4.6
158.07285	1.9
159.10342	1.9
159.11667	7.7
161.09583	2.6
161.13286	2.5
162.05499	2.2
163.11188	93.2
163.51166	1.7
163.66092	1.7
165.09111	2.2
167.07451	1.8
169.08844	2.3
170.08357	2.8
171.11742	4.1
173.09648	49.6
173.13174	3.2
181.12254	38.1
182.09613	2.6
183.11786	2.3
185.13226	3.4
187.14795	2.5
188.89894	1.9
191.10684	49.1
197.07028	3.7
198.07823	4.5
199.12196	3.4
199.14915	4.3
200.10767	1.9
207.11867	1.9
209.11775	25.9
210.09155	4.8
211.08665	7.8
212.09245	10.1
213.10277	8.3
213.16350	2.6
226.07373	6.3
227.12073	15.3
227.17815	3.2
233.69019	2.0
239.08240	3.2
240.08998	13.9
241.09727	36.9
255.11295	73.9
255.21161	3.8
256.09546	2.9
265.14240	4.1
265.19608	2.4
283.10800	50.3
283.15390	13.1
283.20584	5.1
301.07141	4.1
301.11890	13.3
301.16464	89.4
301.21460	19.3
302.10233	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	301.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	13.1
55.01878	27.5
55.05518	29.1
57.03441	45.3
60.16553	3.1
65.03933	8.0
67.05511	95.6
69.03436	6.4
69.07082	21.0
69.07400	3.9
69.43687	9.4
69.44112	10.3
70.06592	7.7
71.04995	13.4
72.08150	4.4
73.02927	5.1
79.05499	99.3
81.03428	19.5
81.06592	4.5
81.07062	93.2
83.04989	39.0
83.08630	9.6
84.08119	7.1
85.02888	8.4
85.06549	14.6
86.09693	4.2
91.05486	66.5
93.03397	3.2
93.07053	100.0
93.07645	5.2
95.04976	40.1
95.08617	55.0
97.02897	5.0
97.06534	33.3
97.10189	4.2
99.04459	9.8
99.08147	3.5
105.04502	3.6
105.07050	38.3
106.61854	2.8
107.04963	71.7
107.08604	60.6
108.05332	6.2
109.06522	11.0
109.10159	17.1
111.03718	4.2
111.04458	63.1
111.08092	20.1
114.47455	2.5
115.05474	3.7
117.07032	32.5
119.08598	49.0
119.09379	2.5
121.06522	11.3
121.10154	80.1
123.04435	6.3
123.08073	8.2
125.05990	8.8
125.09621	4.3
129.07013	7.9
130.07817	6.5
131.04921	6.3
131.08578	34.1
133.06505	5.2
133.10153	12.9
135.08063	9.6
135.11711	67.9
137.05994	3.5
137.09589	4.5
139.11227	4.8
140.36469	2.7
143.08580	9.8
145.06514	15.1
145.10135	95.7
147.08058	9.6
147.11766	13.8
149.09612	14.9
149.13271	4.3
151.04021	3.1
153.07069	3.3
153.12746	25.0
155.08551	16.3
157.10118	4.5
158.07220	2.8
159.11734	11.7
161.05983	5.0
161.13348	4.2
163.11203	99.6
165.09090	3.9
171.11710	9.2
173.09639	51.4
173.13239	7.8
181.06483	4.8
181.12265	37.8
183.11559	3.6
185.13277	4.9
187.14874	5.0
189.00600	3.8
191.10696	51.8
197.13361	5.0
199.14789	5.8
201.12741	2.9
201.16429	8.5
209.11763	24.1
213.16330	3.2
227.12769	20.4
245.15306	2.9
255.17357	3.4
255.21173	9.9
265.14236	7.2
283.15396	14.9
283.20569	6.7
284.13690	3.7
286.04745	3.5
290.28256	3.5
301.07034	9.4
301.10785	16.1
301.16492	91.6
301.21631	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	301.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.9
55.01875	22.0
55.05516	30.5
57.03196	3.8
57.03444	46.3
57.07043	4.6
57.23907	2.5
58.43965	3.0
63.51406	2.3
63.89627	2.6
65.03922	8.4
66.30309	2.3
67.05510	87.3
69.03445	2.9
69.07080	17.0
70.06928	8.3
71.04997	7.6
71.78651	2.5
72.08156	4.3
73.02924	3.5
77.03947	3.1
79.05497	88.3
81.03430	16.9
81.07058	84.4
83.04989	34.4
83.08608	8.5
85.02886	5.9
85.06530	12.7
85.56789	3.3
91.04981	3.8
91.05491	50.4
93.06498	5.0
93.07053	98.9
95.01331	3.2
95.04974	44.7
95.08618	42.4
97.06521	24.5
99.04450	8.9
103.05465	3.0
105.04522	3.1
105.07046	37.2
107.04967	67.3
107.08595	53.2
109.06517	12.7
109.10170	17.1
109.27090	2.5
111.04453	49.3
111.08086	16.0
115.05457	3.3
117.07036	26.2
119.08591	47.6
121.06506	13.0
121.10149	73.6
123.08063	10.8
123.11710	3.9
125.05984	6.9
129.06969	11.0
130.07787	4.3
131.04890	5.9
131.08568	31.5
133.10133	15.3
135.08031	11.4
135.11699	62.3
143.08548	9.3
145.06468	17.4
145.10130	91.3
147.08044	9.3
147.11714	14.3
149.09618	14.8
149.13248	3.5
153.07066	3.9
153.12766	23.4
155.08563	19.4
159.07999	3.5
159.11697	12.4
161.13333	3.3
163.11192	100.0
170.49905	2.7
173.09637	58.5
173.13260	4.4
175.14841	4.4
181.12241	40.7
183.11694	3.7
185.13272	5.3
187.14760	3.9
189.16357	3.8
191.10701	52.0
199.14853	3.7
209.11728	26.2
223.29410	3.0
227.12761	20.6
255.21117	10.0
265.14407	3.5
283.15405	16.0
283.20544	6.9
286.04562	3.5
301.07117	5.3
301.16425	92.4
301.21494	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	301.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22180	2.2
52.47274	2.4
53.03938	7.6
53.94515	2.1
55.01876	17.6
55.05510	14.0
57.03444	24.0
57.07087	2.9
64.64247	2.2
65.03939	4.5
67.05191	4.6
67.05515	58.5
69.07059	10.3
70.06762	10.2
70.07160	3.9
71.04987	7.0
79.05496	62.3
81.03413	9.6
81.07062	40.2
83.04989	32.5
83.08637	2.6
85.02904	4.8
85.06528	7.4
91.05492	28.8
93.07048	60.6
95.04977	19.9
95.08601	17.0
97.06538	18.1
99.04443	7.0
103.05468	2.9
104.07111	2.5
105.07056	15.0
107.04963	100.0
107.08605	26.0
108.05291	36.0
109.06500	5.2
109.10122	5.3
111.04459	33.2
111.08091	7.7
117.07010	19.8
119.08588	20.7
121.06507	7.9
121.10152	47.2
129.07036	3.6
130.07869	2.5
131.04895	3.5
131.08545	18.6
133.10191	4.3
135.08054	5.0
135.11711	39.2
140.81566	2.4
141.77702	2.6
145.06525	14.6
145.10130	44.1
146.06839	6.7
149.09625	7.0
151.07497	3.3
153.12761	11.6
155.08543	7.6
158.07211	2.3
160.96448	2.8
163.11194	58.6
168.83911	2.3
173.09641	29.0
175.07059	4.3
181.12262	22.4
189.09010	2.9
190.09488	8.0
191.10675	26.5
209.11769	16.1
217.04996	3.2
227.12831	14.2
238.09395	4.3
253.11729	9.1
269.11234	9.5
283.15524	6.1
284.13641	38.9
301.03427	6.9
301.16409	92.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.8
55.01870	16.1
55.05518	17.9
57.03196	2.2
57.03443	33.1
64.54990	1.6
65.03932	3.7
67.05509	67.2
68.09588	2.1
69.03434	4.5
69.07077	22.3
70.06583	9.3
71.05012	9.2
71.32588	2.7
72.08152	6.3
74.02456	2.1
79.05495	73.8
81.03421	12.7
81.07063	57.2
83.04990	36.2
83.08624	7.4
84.04494	2.8
84.08132	6.3
85.02879	3.1
85.06557	10.6
86.09710	54.7
91.05482	38.6
93.03391	2.3
93.07047	72.6
95.04971	26.9
95.08612	28.3
96.15871	1.8
96.32883	1.8
97.06538	25.8
99.04446	7.9
103.05459	2.3
105.07041	26.1
107.04961	100.0
107.08595	36.7
108.05290	29.3
109.06514	7.1
109.10181	10.1
111.04455	46.4
111.08082	10.3
113.06013	3.2
117.07034	21.3
119.08593	33.3
121.06514	9.2
121.10156	59.4
123.04412	3.7
123.08072	7.9
125.05996	6.5
128.06256	2.8
129.06989	6.1
129.10170	2.4
130.07802	2.9
131.04924	6.1
131.08578	22.6
132.10236	10.2
133.06488	2.6
133.10112	8.6
135.08090	5.9
135.11699	46.9
137.09563	2.0
139.07561	2.8
139.11176	2.7
142.08664	5.1
143.08600	6.7
145.06482	12.0
145.10127	67.2
146.06860	2.7
147.07997	4.4
147.11691	9.4
148.03944	2.0
149.09642	13.2
151.07486	5.0
153.07040	2.8
153.12749	15.1
155.08565	13.2
156.65503	1.8
157.10150	6.4
158.07230	3.7
159.07730	2.5
159.11684	6.6
161.13277	2.0
163.11192	70.1
163.12558	4.0
167.71626	2.1
171.11638	3.2
173.09642	41.0
173.13219	3.2
175.07111	2.0
175.14803	2.0
181.06540	2.8
181.12260	36.6
183.11647	2.2
185.13231	3.0
187.14787	2.4
188.84688	2.0
189.09009	3.8
190.09451	9.0
191.10677	36.9
191.14368	2.0
199.14977	2.3
209.11745	17.2
209.34032	1.9
217.04993	2.2
225.16307	2.6
227.12715	15.3
238.09456	5.2
240.07574	2.4
245.04497	3.0
245.87938	2.0
253.11844	8.7
255.11324	5.0
255.21164	3.9
265.14307	2.5
269.11383	6.2
273.04010	2.4
283.15408	9.4
283.20602	5.2
284.13635	47.1
286.04663	2.2
301.03531	6.4
301.07153	2.7
301.10892	5.4
301.16440	98.5
301.21332	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	301.1182
Annotation	5-Nitro-2-(3-phenylpropylamino)benzoic acid
Peak:m/z	Relative Intensity
55.01852	0.4
55.05494	0.8
57.03384	0.3
61.96672	0.3
65.03939	1.8
67.05513	2.8
69.07034	0.6
69.23318	0.9
69.23727	2.7
71.04971	0.4
72.08145	0.3
79.05455	1.5
79.10662	0.4
81.07057	2.1
86.09689	0.5
89.64832	0.3
91.05440	1.6
92.05022	2.1
93.07054	2.3
94.06538	0.8
95.04939	1.6
95.08578	1.2
97.06527	0.6
98.97546	0.6
105.07041	2.2
107.04883	0.6
107.08557	1.2
108.46098	0.3
109.10143	1.0
115.05416	0.5
118.06478	0.5
119.08585	2.1
120.04498	2.2
121.06477	0.5
121.10098	1.4
122.06088	1.8
123.08044	0.6
128.06212	0.3
129.06940	0.5
130.06506	0.5
131.08501	1.1
133.10081	1.2
134.05965	0.6
135.04462	0.4
135.07997	0.5
135.11667	0.7
136.07565	1.9
141.06967	0.4
142.07751	0.6
143.08540	0.9
144.08083	0.8
145.10109	1.7
146.05928	0.4
147.11665	1.0
148.03888	1.0
151.03923	0.5
152.06154	0.5
153.06958	0.5
154.06488	0.8
154.07741	0.7
155.07336	0.5
155.08502	1.0
156.08087	0.5
157.10141	1.1
158.05939	0.4
158.09618	0.5
158.99658	0.5
159.09166	0.7
159.11655	1.0
160.07643	0.4
162.05533	1.1
163.11147	0.7
165.06982	0.6
167.07272	2.1
167.08540	0.8
168.08101	1.3
169.07581	0.7
169.08852	1.1
169.10149	0.8
170.08365	1.7
170.09613	0.9
172.07550	0.8
173.07062	0.6
173.13211	0.6
182.09641	2.8
183.09184	2.0
184.07573	0.9
184.09944	3.2
184.11276	0.8
185.10709	1.4
186.09142	0.6
187.08691	2.0
187.14777	0.5
194.09686	0.5
196.07596	0.7
197.06926	2.9
197.08595	0.7
197.10863	0.5
197.13144	0.5
198.07753	4.2
198.09225	0.8
199.08612	1.4
199.10573	0.5
199.12343	6.1
200.10698	0.6
206.58040	0.4
209.10823	0.7
210.09155	6.8
211.08640	6.2
212.09270	9.3
213.06796	0.4
213.10194	4.6
215.08086	0.5
222.07852	0.6
223.08655	0.4
225.06584	2.5
225.10251	1.4
226.07263	3.0
226.10988	1.2
227.08105	1.2
227.11800	28.2
228.10234	0.7
237.10201	1.9
238.08685	1.8
239.08189	2.4
240.08942	11.1
241.09729	17.7
253.09799	0.7
254.10489	1.0
255.11295	100.0
256.11624	1.3
257.12869	2.6
273.12378	0.7
283.10797	25.1
283.20621	1.1
301.07364	0.7
301.11835	16.2
301.21585	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	301.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	4.5
58.99861	17.5
60.99625	8.4
68.47491	3.7
69.03432	6.3
70.06587	11.2
70.18646	16.0
77.00903	5.6
84.08153	10.3
85.01408	5.4
85.02931	6.5
86.09718	5.5
91.02450	4.7
92.42180	3.8
101.00894	25.5
103.02475	8.5
113.00880	15.0
115.02463	3.7
118.59021	3.8
119.01926	29.1
121.31338	3.9
125.00869	5.4
126.98788	6.4
127.02429	17.4
128.98541	20.3
129.00356	5.6
131.01932	25.4
131.03706	6.1
133.03497	11.0
135.04984	5.4
143.01892	32.6
144.99815	8.8
145.01643	9.4
145.03490	100.0
146.99576	30.1
147.01416	14.8
147.03241	17.7
149.02977	16.5
155.01910	4.7
157.03477	4.5
159.01364	5.6
159.03149	4.3
159.05052	7.9
161.02953	15.9
163.02812	5.0
163.03032	5.6
163.04521	44.2
165.00685	4.2
165.04341	8.1
167.01891	4.0
169.03496	6.4
171.01398	14.0
171.05141	5.1
172.99431	7.4
173.01154	8.2
173.02953	5.7
174.99092	25.2
177.02481	3.9
177.04320	4.2
179.02214	7.2
183.05063	4.1
185.03017	5.5
185.06631	6.6
187.04494	7.7
189.00761	7.4
189.02435	34.7
189.06010	4.8
191.00592	4.7
191.02242	20.7
191.03831	4.7
193.00137	11.1
197.03085	8.5
198.98599	20.5
203.04057	7.9
207.01724	12.9
207.03511	11.9
211.04535	7.7
213.00700	4.7
213.02522	26.6
215.04016	11.1
216.99734	5.3
225.02647	5.9
229.05530	9.2
231.03503	21.2
237.02437	5.4
239.00502	5.6
239.04048	23.8
240.99969	48.3
241.02263	7.8
243.03578	10.5
245.05089	6.9
253.01869	5.4
255.03435	4.9
257.04993	25.4
259.01166	16.3
259.03369	8.7
265.01968	7.9
268.99564	35.4
271.02945	19.4
283.03043	67.7
287.00635	25.7
289.04102	7.7
301.03976	47.2
301.14120	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	300.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.9
55.05501	2.1
56.05044	1.0
58.06615	0.8
58.34218	0.6
59.04999	0.8
59.93588	0.6
60.04525	1.6
64.76532	0.5
65.25447	0.6
66.72174	0.7
69.07065	2.3
70.06599	64.8
70.23437	0.7
71.06860	1.6
72.08163	16.2
73.08503	1.1
74.06065	0.9
81.50478	0.6
82.02954	0.7
82.06601	0.6
83.84137	0.6
84.04506	2.3
84.08152	8.9
85.08530	0.8
86.09712	73.5
88.03983	0.9
89.06023	4.0
94.37804	0.8
95.06091	1.2
98.06023	1.1
98.09723	0.8
105.07009	0.6
110.07220	0.8
112.11259	2.9
115.08689	1.3
116.07101	100.0
117.07431	0.7
119.04948	1.2
120.04452	0.8
123.04476	1.2
127.05080	0.8
129.10255	4.7
133.08615	1.5
136.06174	1.9
137.05951	2.1
141.10225	2.0
147.04480	2.0
150.33818	0.7
157.13376	29.2
159.07707	1.2
169.09724	1.1
173.12852	1.3
179.07031	3.2
185.12866	9.2
201.05460	0.9
201.12483	0.7
229.15726	1.2
245.11285	0.9
282.61276	1.6
283.61871	1.3
291.12302	0.7
292.13443	1.9
300.05984	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2008
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
53.03936	1.8
55.01849	1.6
55.05509	11.4
57.03421	2.5
57.07078	3.1
57.07434	1.0
59.04998	1.6
59.71131	1.0
60.04519	1.1
63.75923	1.2
65.03937	2.1
67.05510	15.9
69.03427	6.5
69.07070	5.8
70.80521	3.0
71.04994	3.3
72.08157	1.1
79.05498	10.7
79.23141	1.0
81.03407	4.7
81.07056	15.4
83.04968	4.7
83.08634	8.2
84.08115	1.3
85.02919	1.8
85.06541	2.4
91.05482	17.2
93.07054	14.5
95.04972	25.9
95.08598	13.8
97.06530	3.5
99.00826	2.6
103.05474	1.6
105.07034	24.1
107.04961	2.2
107.08598	20.2
109.02876	3.3
109.06521	13.6
109.10149	13.0
109.55013	1.4
111.04449	3.1
111.08067	3.7
113.09663	1.3
115.05452	2.4
117.07034	9.5
119.08594	38.7
121.06520	6.2
121.10155	13.6
123.08072	3.2
123.11738	2.0
125.09631	3.4
127.03932	2.3
128.06229	3.7
129.07011	6.5
130.07784	5.0
131.08571	13.8
133.06499	2.6
133.10123	16.9
135.08067	13.4
135.11700	6.4
136.06236	2.6
137.09644	7.1
139.07564	1.3
140.12424	1.3
141.06938	2.0
142.07767	5.3
143.08589	15.5
144.09378	1.6
145.06541	1.9
145.10126	38.4
146.39658	1.5
147.08057	2.3
147.11688	6.0
149.09627	3.9
151.07535	2.1
151.11264	2.1
153.07042	1.2
155.08527	8.6
155.10622	1.5
156.09344	6.5
157.10124	17.5
158.07303	4.7
158.10886	1.8
159.08011	6.0
159.11690	14.7
161.09621	10.7
161.13213	2.7
163.11205	4.0
165.07013	2.1
167.08566	2.3
168.09355	1.7
169.10141	8.6
170.10985	2.1
171.08067	2.5
171.11699	14.7
172.08771	1.3
172.12447	2.0
173.09627	11.8
173.13225	9.8
175.11206	2.7
175.14783	1.8
177.09158	3.0
179.08444	1.3
179.10683	3.3
181.10120	3.8
182.10930	4.1
183.11728	9.7
184.12436	1.5
185.09636	1.9
185.13307	6.9
187.11258	2.9
187.14851	1.6
189.09164	5.0
189.12798	4.2
191.10683	2.8
193.10065	3.2
194.10800	1.6
195.07985	1.4
195.11710	4.6
196.12408	1.5
197.09702	2.2
197.11659	1.9
197.13271	13.9
199.11160	5.1
199.14839	12.1
200.15631	2.8
201.12769	3.1
203.14307	2.0
205.12299	2.5
207.11731	3.4
209.13341	2.3
210.10487	1.8
211.11197	4.6
211.14835	6.9
213.12756	4.3
213.16460	3.6
215.10614	1.6
215.14351	5.3
217.12302	1.5
217.15770	1.8
219.13840	1.6
221.13193	2.3
223.14769	7.8
225.12923	8.4
225.16391	2.5
229.15982	1.6
233.13123	1.3
239.14307	2.3
239.17961	4.1
241.15833	6.3
243.13893	6.0
253.19531	12.6
257.19089	7.3
263.17957	2.5
271.20798	1.2
281.18991	18.4
299.06262	1.3
299.14670	5.4
299.20087	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2005
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
53.03940	4.1
55.01888	2.8
55.05514	15.8
56.05028	2.6
57.03426	4.2
57.07081	8.1
58.07404	1.7
59.05006	1.5
60.04532	50.0
61.04869	7.7
65.03944	3.3
67.05509	22.3
68.05824	3.3
69.03441	14.7
69.07078	13.5
69.78134	6.2
70.06581	2.5
71.15054	1.4
72.04514	4.8
72.08154	3.0
79.05498	12.6
81.03427	9.8
81.06651	2.4
81.07066	24.1
82.07383	5.3
82.95187	1.6
83.04984	6.2
83.08621	13.9
85.06551	5.9
91.05482	21.2
93.07046	14.9
94.06512	2.1
95.04974	75.5
95.08617	14.3
96.08952	2.6
97.02862	1.7
97.06537	5.7
97.08492	1.8
97.10167	3.0
99.00820	2.4
103.05457	2.3
105.07041	28.8
106.07384	1.7
107.04952	4.4
107.08615	18.1
108.08882	1.7
109.02897	3.5
109.06526	31.2
109.10161	14.2
110.81527	1.5
111.04441	4.3
111.08087	3.7
115.05421	3.6
116.07069	1.6
117.07001	7.4
119.08585	55.9
120.08932	2.3
121.06500	8.3
121.10157	7.4
123.08065	5.2
125.09642	3.4
128.06224	4.5
129.06995	4.6
129.73267	1.6
130.07784	5.2
131.08588	13.4
133.06497	1.9
133.10150	15.6
135.04375	2.0
135.08072	15.6
135.11702	3.3
136.06227	3.7
137.09656	1.9
141.06984	2.2
142.07808	5.3
143.08577	14.6
144.09380	2.4
145.09061	3.4
145.10132	41.8
147.08084	3.7
147.11734	2.6
149.09622	6.7
151.07591	3.8
151.11124	2.9
154.07686	2.0
155.08607	9.1
156.09364	5.8
157.10135	14.3
158.07321	8.5
158.10924	2.9
159.08061	5.2
159.11729	6.5
161.09647	9.2
167.08614	3.7
168.09325	2.6
169.10144	7.8
171.08081	1.8
171.11678	8.9
173.09641	15.0
173.13268	11.7
175.11174	2.9
179.08499	2.0
179.10672	1.7
181.10188	4.7
182.10959	3.3
183.08022	1.8
183.11711	6.8
184.08936	1.8
185.09633	4.4
185.13281	2.8
187.11189	3.6
187.14890	2.1
189.11269	1.7
189.12810	3.7
192.09354	2.5
193.10188	3.4
195.11748	5.4
197.09581	2.6
197.13237	11.0
199.11230	8.2
199.14877	9.1
201.12833	5.1
207.11705	4.3
208.12631	3.1
210.10475	1.7
211.11212	4.3
211.14850	2.9
213.12732	3.9
213.16435	1.9
214.13463	3.0
215.14354	8.3
215.52731	1.6
217.15930	5.2
221.13370	2.4
223.14864	6.4
225.12791	12.6
233.13184	2.2
237.16418	2.2
239.14325	2.1
240.15085	4.0
241.15898	7.0
243.13823	8.2
246.22940	1.7
251.14371	3.9
251.25693	3.2
253.19592	1.9
257.18970	10.6
263.25809	1.7
266.16599	2.2
269.15433	4.2
281.19009	21.2
281.26642	10.1
284.17822	3.7
298.95038	1.7
299.14752	5.2
299.20108	100.0
299.27716	49.5
299.31131	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	299.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28927	1.5
51.24062	1.3
53.00314	19.3
53.03951	8.4
55.01875	12.4
55.05516	57.6
57.03440	37.5
57.07078	1.7
57.89393	1.8
59.05015	7.1
65.03928	2.5
67.05177	2.7
67.05511	33.4
69.03430	4.9
69.07058	5.5
70.06590	1.7
70.69549	4.2
71.01369	7.0
71.04988	3.5
72.08177	1.8
73.02940	3.0
79.05501	21.7
81.03424	15.2
81.07061	46.1
83.04977	6.9
83.08624	32.3
84.83631	1.2
85.06547	2.9
91.05489	54.9
93.06484	3.3
93.07051	44.4
95.04966	11.2
95.08620	10.7
97.02893	14.8
97.06543	9.8
97.10159	2.2
99.00823	77.6
99.04433	2.4
99.08066	1.5
103.05469	4.0
105.07043	50.9
107.04964	47.2
107.08611	18.3
109.02888	32.6
109.06534	5.8
109.10148	12.2
111.04443	3.7
111.08092	12.0
113.05998	2.4
115.03950	9.7
117.07027	7.4
119.04983	3.2
119.08603	22.6
119.90519	1.6
121.02843	2.4
121.06519	27.5
121.07372	2.4
123.04452	5.2
123.08064	4.3
123.11734	6.9
127.03934	5.0
128.06238	5.0
129.06992	4.3
131.08575	4.8
133.06509	5.1
133.10144	100.0
135.08026	2.8
135.11673	3.6
137.05997	4.6
137.09631	5.8
139.06572	1.7
139.07509	10.6
141.05463	2.1
143.08565	12.1
145.06493	4.4
147.08041	3.4
151.07576	3.7
151.09991	2.3
151.11198	40.2
155.25426	1.7
158.07265	1.7
161.09634	60.5
162.09962	1.8
162.22070	1.5
163.11200	2.3
165.09145	4.8
171.08061	10.5
174.06798	3.0
177.09126	1.8
179.10693	43.2
189.07419	2.2
189.09126	42.5
189.10751	2.8
197.11754	14.8
200.39549	1.4
207.10187	15.6
225.11240	45.6
235.50586	1.5
243.12318	6.7
268.11090	2.8
281.13834	2.3
283.13327	14.9
299.14926	91.2
300.15942	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	299.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	16.3
53.03962	7.0
55.01881	10.3
55.05517	54.3
57.03442	38.8
58.85596	1.2
59.05007	8.3
62.49417	1.2
65.03940	2.4
65.96190	1.1
67.05510	30.9
68.19842	1.2
69.03432	5.4
69.07061	5.7
69.33372	10.5
71.01348	5.6
71.04996	2.7
72.08159	1.7
73.02914	1.9
73.09080	1.3
79.05068	2.2
79.05499	25.4
81.02995	1.4
81.03432	15.5
81.07065	46.6
83.04996	8.2
83.08624	28.6
85.06544	3.3
91.05488	61.0
93.07054	41.1
93.26245	1.2
95.04969	11.0
95.08615	13.7
97.02893	15.3
97.06547	10.5
97.10181	2.8
99.00826	75.1
99.04444	3.4
99.08111	1.6
101.02366	3.0
103.05496	6.1
105.07043	45.3
107.04964	37.1
107.08606	16.3
109.02139	2.5
109.02885	40.7
109.06528	7.3
109.10170	13.0
111.04460	4.1
111.08093	12.0
113.06023	2.1
115.03954	8.0
115.05461	2.5
117.07034	7.0
119.04966	2.7
119.08589	21.3
121.02866	1.7
121.06519	21.3
121.10201	1.4
123.04439	4.4
123.08060	4.0
123.11726	4.9
127.03915	6.6
128.06216	5.3
129.06982	1.8
131.04964	1.7
131.08589	3.4
133.06517	5.0
133.10143	100.0
134.10587	1.3
135.08057	4.5
135.11667	3.7
136.06152	1.5
137.05923	5.8
137.09637	4.0
139.07552	10.0
143.08591	16.4
145.06474	6.0
145.10133	2.1
147.08099	4.1
151.07581	2.4
151.11195	36.7
151.12386	2.8
153.82292	1.3
161.09633	58.5
163.11182	3.1
165.09129	4.4
171.08083	12.5
179.10695	39.9
179.11919	0.9
189.07437	1.9
189.09116	36.7
197.11717	14.5
207.10194	19.8
225.09030	2.8
225.11230	50.6
243.12239	6.4
249.31052	1.5
252.11508	2.2
281.13821	1.8
283.13318	9.6
283.49323	1.3
295.92444	1.3
299.14926	86.6
300.15970	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	299.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00089	1.4
53.00309	17.8
53.03954	8.7
55.01870	10.9
55.05513	61.1
57.03439	36.3
58.39805	1.4
59.04993	8.6
65.03925	1.6
67.05506	38.4
69.03429	8.4
69.07073	6.6
69.93392	5.7
70.14251	1.3
71.01353	6.6
71.05000	3.3
73.02896	1.7
77.03905	1.4
79.05489	26.5
81.03419	19.4
81.06594	2.6
81.07054	46.6
83.04972	7.9
83.08147	2.4
83.08621	33.9
85.06519	4.2
91.05483	54.2
93.06488	2.6
93.07048	39.5
94.62833	1.5
95.04970	13.2
95.08623	10.1
97.02905	16.7
97.06517	8.5
97.10161	4.1
99.00818	75.0
99.04446	3.4
103.05476	3.6
105.07035	50.8
107.04961	17.0
107.08597	18.6
109.02885	32.2
109.06513	8.4
109.10166	16.5
111.04453	8.3
111.08069	9.7
115.03934	9.9
117.07015	10.6
119.04935	3.4
119.08584	24.6
121.02923	1.7
121.06501	21.5
121.10129	1.5
123.04420	4.6
123.08097	3.4
123.11725	6.5
124.24294	1.4
125.09643	1.6
127.03903	8.7
128.06229	6.1
129.07011	1.4
131.08542	4.2
133.06483	6.4
133.10135	100.0
135.08046	4.0
135.11665	3.0
137.05994	4.4
137.09602	4.2
139.07535	8.5
141.05443	1.8
143.08571	16.2
145.06500	2.8
145.10159	1.9
146.07288	1.8
147.08035	3.9
151.11179	32.1
158.76399	1.6
159.11554	1.4
161.09622	59.4
163.11177	2.6
165.09116	2.7
171.08061	12.7
173.11687	1.8
179.10670	38.7
189.09108	31.9
197.11737	11.9
207.10143	16.4
225.09015	3.1
225.11217	43.9
243.12321	5.7
281.14136	2.2
299.14883	77.9
299.20331	3.6
300.15317	1.5
314.83594	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27149	1.9
53.00311	17.7
53.03938	5.9
55.01879	10.6
55.05512	55.0
56.51471	1.8
57.03442	37.2
59.04990	7.7
60.84607	1.7
64.31622	2.1
65.03915	2.3
67.05506	29.7
68.46593	1.9
69.03407	4.9
69.07052	6.4
70.70784	4.1
70.71120	3.0
71.01347	6.5
71.04983	2.4
73.02898	2.9
75.64307	2.1
79.05493	25.3
81.03431	11.6
81.06591	3.0
81.07058	47.5
83.04961	7.4
83.08626	33.5
85.06527	4.0
91.05489	53.8
93.07051	37.6
95.04986	11.5
95.08595	11.2
97.02903	9.0
97.06525	9.8
99.00818	83.9
99.04459	2.1
103.05486	4.9
103.77319	2.1
105.07030	43.7
106.95357	1.9
107.04970	13.5
107.08600	21.3
109.02886	27.5
109.06518	8.0
109.10182	13.2
111.04431	5.7
111.08083	10.6
115.03931	11.9
117.07000	8.7
119.04925	3.2
119.08593	25.7
121.06491	21.7
121.15235	2.0
123.04402	4.4
123.08115	2.3
123.11703	6.4
127.03885	5.7
128.06213	6.6
128.47110	2.2
131.08562	5.0
133.06477	4.7
133.10138	100.0
135.08122	3.2
135.11665	3.8
137.05971	4.4
137.09598	2.8
139.07545	8.9
143.08586	13.3
145.06519	3.9
145.10121	4.8
147.08081	3.3
151.11201	33.7
153.46042	1.9
161.09639	56.2
161.88284	1.9
163.11209	3.2
165.09142	2.3
171.08063	13.5
179.10677	37.0
185.53867	2.3
189.09120	36.0
197.11748	13.8
207.08466	2.3
207.10181	13.6
225.11218	47.6
243.12187	10.2
299.14917	93.9
299.19952	4.0
318.43536	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	299.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	16.1
53.03936	9.9
55.01865	12.6
55.05515	58.4
57.03162	2.2
57.03442	37.3
57.07059	2.3
59.04996	9.8
66.31136	2.0
67.05508	42.2
68.82196	2.1
69.03416	7.7
69.07068	13.2
70.06588	11.3
71.01350	7.7
71.04977	6.0
71.50475	3.9
72.08158	12.3
73.02895	2.2
74.81955	2.2
79.05495	36.1
81.03416	20.9
81.07059	63.8
83.04975	14.4
83.08622	35.1
84.04479	2.2
84.08157	11.5
85.06541	7.1
86.09708	6.5
91.05482	64.1
93.07043	51.6
95.04994	14.6
95.08606	22.2
97.02899	14.7
97.06544	14.8
97.10182	2.5
97.81962	2.2
98.90465	2.4
99.00816	67.2
99.04459	4.2
99.08102	3.0
101.02395	2.4
103.05476	5.6
105.07040	56.0
107.04959	27.8
107.08601	26.5
109.02883	32.2
109.06506	9.6
109.10155	17.0
111.04419	6.3
111.08084	12.4
115.03944	10.6
115.05427	2.6
116.07100	9.7
117.07059	13.1
119.08582	30.6
121.02903	3.3
121.06519	21.7
121.10183	5.4
123.04417	7.3
123.08067	6.3
123.11732	8.7
127.03882	8.9
128.06253	6.6
128.84767	2.3
129.07018	6.5
131.08565	8.4
133.06512	5.6
133.10138	100.0
135.04424	2.2
135.08040	7.5
135.11671	6.1
136.06194	19.6
137.05876	7.3
137.06657	5.2
137.09618	4.2
139.07544	7.9
142.07748	2.4
143.08563	23.0
145.06477	6.3
145.10118	9.5
147.04425	3.3
147.08063	5.5
147.11667	2.7
149.09619	2.3
151.07533	4.2
151.11162	36.2
152.46474	2.8
153.06943	3.4
155.08485	2.8
157.10121	7.7
159.11682	6.9
161.09636	59.5
161.13277	3.7
163.03888	4.5
163.11156	4.9
165.09122	5.4
169.10085	3.1
171.08084	12.7
171.11751	3.2
175.11238	2.4
179.10693	39.4
180.80486	2.0
183.11671	5.1
185.13263	4.8
189.09117	42.5
189.12816	2.4
192.08844	3.4
197.10028	3.3
197.11755	17.1
197.13295	3.5
199.14766	3.6
200.15518	2.6
201.06577	4.1
207.10176	17.7
208.33708	2.2
220.08456	3.1
221.13426	3.0
225.11212	43.1
243.12321	7.3
252.11044	4.3
281.18979	3.9
282.11929	5.4
299.09808	6.6
299.14905	90.8
299.19977	20.2
299.23337	5.3
300.15799	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	299.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	15.7
53.03951	7.8
55.01877	13.0
55.05515	63.3
57.03159	2.1
57.03437	30.1
57.07065	1.7
58.69278	1.4
59.05006	8.1
65.03945	2.7
67.05145	1.9
67.05508	37.4
69.03420	6.4
69.07068	10.8
70.06573	2.9
70.16187	2.0
71.01342	7.2
71.04988	4.2
71.50435	2.1
72.08134	3.5
73.02906	4.9
73.51383	1.5
79.05500	32.3
81.03420	13.6
81.07058	51.9
83.05005	7.9
83.08152	3.3
83.08617	38.3
84.08139	2.2
84.55101	2.0
85.02941	1.4
85.06525	3.0
91.05479	61.6
93.06489	3.0
93.07049	48.3
93.07639	2.6
95.04974	13.5
95.08607	18.3
97.02905	15.1
97.06539	8.5
97.10158	2.5
99.00819	74.6
99.04448	3.1
99.08128	1.9
100.62069	1.6
103.05463	5.4
105.03349	1.9
105.07031	59.7
107.04942	20.6
107.08598	22.0
109.02888	32.1
109.06519	11.1
109.10144	19.1
111.04439	4.9
111.08086	14.1
113.06000	2.2
115.03913	9.2
115.05405	2.4
117.07046	12.9
119.04922	3.5
119.08582	30.9
121.02895	3.4
121.06516	27.6
121.10156	6.2
123.04425	7.3
123.08049	5.6
123.11714	8.0
127.03939	8.1
128.06200	6.5
129.07010	3.9
131.08560	10.2
133.06482	5.4
133.10132	100.0
135.08055	5.4
135.11693	5.5
135.55933	1.6
136.06166	5.7
137.05986	6.7
137.09615	4.4
139.07535	10.1
141.06952	2.4
143.08569	17.1
145.06476	5.2
145.10172	7.9
147.04356	1.9
147.08069	5.7
147.11717	3.9
148.54817	1.8
149.13214	2.2
151.11180	34.3
153.07021	2.9
157.10139	3.7
159.08099	3.9
159.11685	7.2
160.08806	4.5
161.09631	57.3
161.13153	4.0
163.11143	2.5
165.09145	4.4
169.10135	3.7
171.08057	10.4
171.11662	4.2
173.13263	3.6
179.10675	40.8
183.11748	2.5
185.13205	3.1
189.09109	36.1
189.12840	3.2
195.11613	1.9
197.11697	15.3
197.13226	3.7
199.14809	2.2
207.10165	12.6
211.14691	2.7
225.11221	40.8
225.16283	2.4
243.12347	6.1
253.19397	1.8
268.13068	1.8
281.19229	2.5
281.22632	6.1
299.06161	2.2
299.09656	3.6
299.14893	76.0
299.20068	17.3
299.23712	15.6
299.27014	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	299.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03085	1.7
50.18245	2.1
51.02357	2.0
53.00130	1.7
53.00314	19.5
53.03946	8.0
53.70210	1.8
55.01884	12.5
55.05516	57.7
57.03193	2.7
57.03442	33.7
57.07062	3.5
59.05014	10.2
64.55964	1.8
65.03944	2.1
67.05180	2.7
67.05515	37.9
68.07929	2.0
69.03432	8.4
69.07077	10.0
70.06614	3.1
70.75032	5.2
71.01353	6.1
72.08159	2.4
79.05498	35.4
81.03432	16.0
81.06591	3.4
81.07064	62.8
83.04994	10.5
83.08633	32.0
83.64667	1.9
84.08151	2.6
85.06543	4.9
91.05491	64.6
92.90128	1.9
93.03415	2.1
93.07056	47.5
95.04985	14.8
95.08617	20.5
97.02905	14.1
97.06558	9.0
97.10165	4.1
98.20747	2.4
99.00823	75.0
99.04472	2.8
99.08079	4.0
103.05498	6.2
105.07041	54.8
107.04958	20.1
107.08607	27.3
109.02885	34.3
109.06528	11.2
109.10155	16.7
111.04452	6.0
111.08083	14.8
113.05996	2.9
115.03952	8.6
115.05480	2.3
117.07034	11.4
119.08602	28.3
121.02837	2.3
121.06537	22.3
121.10167	7.3
123.04434	4.5
123.08066	5.1
123.11716	8.1
127.03910	9.2
128.06233	5.6
129.07010	6.6
131.08553	12.6
133.06531	4.1
133.10146	100.0
135.08072	5.3
135.11711	4.5
136.06194	4.7
137.05940	4.2
137.09613	3.1
139.07532	8.1
141.05502	3.5
141.06914	3.0
142.07793	2.4
143.08598	19.7
145.06534	5.8
145.10120	9.5
146.07327	2.4
147.08052	5.3
147.11702	3.7
151.07603	2.3
151.11200	36.0
153.06918	2.3
155.08560	3.1
157.10138	4.3
159.08109	3.2
159.11667	5.2
160.08876	3.3
161.09636	58.9
161.13326	5.2
163.07628	2.0
163.11177	3.7
165.09109	3.5
169.01202	1.9
169.10231	2.4
171.08038	9.8
171.11771	3.7
173.09692	2.3
173.13327	3.2
175.11185	4.2
179.10681	35.6
183.11719	3.4
185.13295	3.5
189.09134	27.4
197.11748	11.6
197.13326	4.9
207.10153	13.5
211.14778	3.3
223.14934	2.2
225.11217	41.3
241.15796	2.3
243.12216	5.1
253.19482	2.5
268.13141	3.6
275.03775	1.9
281.19421	2.8
281.22687	6.6
299.09711	3.2
299.14929	74.0
299.20108	22.6
299.23785	17.1
299.27454	4.1
303.79611	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	299.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.7
59.53111	0.4
67.05498	0.4
69.07065	1.2
69.96167	1.5
70.95863	2.5
71.48770	0.7
73.02899	0.5
77.00913	0.5
81.07094	0.5
82.99878	0.9
83.04993	3.1
83.08607	0.5
83.88122	0.5
85.01421	2.4
89.39124	0.4
91.17480	0.4
95.65348	0.4
96.08114	0.5
97.01379	0.5
98.97588	0.8
99.04482	0.6
101.00882	6.9
102.00999	0.6
103.02467	3.9
111.04451	2.1
111.11781	0.4
113.06010	1.2
119.01932	14.2
120.02016	1.4
121.03467	1.1
123.02828	0.5
125.04471	0.9
127.07552	1.4
129.03960	0.6
131.96161	1.1
137.02974	2.8
141.03955	1.8
143.05548	6.3
145.03477	7.0
147.05025	5.6
149.97223	1.1
154.12988	0.5
155.05727	0.9
155.07037	12.9
157.03456	0.7
157.07115	5.5
158.99988	0.5
159.05045	1.1
161.06593	6.1
163.04523	6.6
165.06134	2.3
167.05495	0.6
169.07140	3.5
171.05034	3.1
173.06639	0.9
175.04532	0.4
175.08177	7.7
177.01018	3.4
178.01089	2.7
179.00648	0.7
183.05060	0.8
183.08629	1.2
185.06606	8.1
187.04518	1.8
187.08183	12.1
189.06099	14.5
190.94977	0.7
191.94972	1.4
193.03395	0.6
195.04994	2.0
201.00945	0.7
201.06154	0.4
201.09688	2.3
202.01103	0.7
203.02621	0.6
203.07675	3.1
204.02556	0.7
205.05583	0.6
207.07150	1.3
208.95905	0.6
209.96011	1.9
210.95973	0.6
211.04523	5.7
211.08044	0.6
213.06119	8.1
213.09660	3.3
215.07637	0.5
219.02025	5.0
220.02121	4.2
221.01862	1.3
222.01985	1.3
229.05659	2.1
229.09282	0.5
231.07161	3.0
231.10835	1.3
232.96074	0.6
233.96164	2.4
237.06033	1.0
239.07678	0.8
244.02185	1.7
247.06627	0.9
250.97086	0.6
251.97142	3.1
252.97061	1.0
253.19653	0.4
255.07036	3.0
255.10815	5.7
256.97217	0.7
257.03555	0.7
257.08728	6.6
261.03134	2.8
262.03220	16.3
263.02917	2.3
274.97409	0.8
275.04703	1.3
275.09668	0.9
275.97192	9.0
276.04605	2.5
276.96844	2.2
293.98203	6.2
294.05902	0.4
294.97983	1.0
298.98114	1.5
299.09775	100.0
300.09979	2.5
316.98923	1.5
317.07538	0.6
317.10852	4.8
317.18362	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0078
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05048	0.6
56.96572	70.7
58.61905	0.5
58.76092	0.5
61.61103	0.5
69.07063	0.6
69.20201	0.6
70.06597	1.9
70.54368	1.6
71.95274	1.8
72.08160	1.6
74.97601	0.6
83.06109	1.3
84.04524	0.6
84.08164	2.9
84.23743	0.5
85.02895	0.6
85.72274	0.4
86.09737	1.0
110.07198	0.8
120.08109	0.9
122.97574	11.2
124.99148	3.2
126.64007	0.6
129.10265	0.9
136.06163	4.4
136.54594	0.6
137.06636	2.7
140.98601	16.7
143.00198	3.9
143.05646	0.6
145.03598	0.5
150.97069	2.4
153.06677	0.6
158.99683	8.5
161.01225	4.4
168.98085	19.3
177.00783	1.1
179.02296	0.5
186.99161	100.0
196.14447	1.1
205.00226	83.1
210.00757	2.4
223.01248	3.8
228.01768	1.1
270.41351	0.6
280.99640	2.1
299.00769	5.0
299.06183	1.2
299.09717	0.9
317.01617	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0252
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	5.3
58.99867	11.9
61.02908	0.9
66.88372	0.9
68.98267	1.3
69.03416	0.8
69.84653	2.8
69.85069	1.3
70.06596	1.4
70.99856	7.6
73.01412	1.9
77.00892	2.8
84.08140	1.1
85.01427	1.1
85.02901	1.7
89.00904	2.4
91.02456	2.8
97.18588	0.8
98.20821	1.0
100.02476	1.5
101.00867	2.3
102.04049	1.7
103.02400	1.7
105.00290	0.9
108.97749	2.5
111.02935	3.4
115.02374	1.4
118.03491	1.3
119.01917	3.2
120.63311	0.8
122.97530	1.4
125.00870	3.2
126.98798	30.1
127.02425	8.2
129.03978	11.3
131.01930	1.6
134.93376	0.9
136.06180	1.5
137.00821	1.1
139.02426	1.2
140.98546	1.4
141.04042	0.9
141.05110	2.4
143.01907	15.3
144.48570	0.9
144.99837	49.6
145.03479	34.8
147.01395	1.5
147.03197	0.9
147.05025	2.5
153.00433	1.5
154.98230	5.1
155.01871	3.1
157.03510	8.3
159.01382	1.7
159.05017	2.0
159.06198	1.0
161.02963	5.6
161.04729	0.9
163.00937	4.3
163.04553	14.2
168.98135	1.2
171.01416	13.4
172.99342	51.2
173.03003	1.9
175.04553	6.7
177.02461	11.1
186.99139	10.5
187.00864	5.9
187.05716	4.5
189.02469	38.4
191.00386	15.6
195.03470	1.2
201.02440	1.7
203.04004	2.3
205.00180	7.0
205.01965	14.3
205.03906	1.5
205.06859	1.8
207.03540	10.2
211.00938	6.4
213.02379	4.7
220.99352	3.0
221.05219	1.3
223.03044	5.3
231.03474	4.3
239.00389	100.0
240.00658	1.5
243.03513	1.5
248.98866	1.5
257.01465	39.3
261.04584	2.1
266.99896	43.1
271.03082	6.2
271.05756	1.0
280.02942	1.5
281.05997	1.6
285.00955	32.9
299.02533	24.5
299.06110	2.1
299.09891	1.8
314.85727	1.0
317.03629	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	298.2745
Annotation	Cassine
Peak:m/z	Relative Intensity
53.03942	1.7
55.05277	1.9
55.05515	23.3
56.05029	2.8
57.07093	2.2
61.01140	3.5
67.05183	1.4
67.05513	18.7
69.06725	1.9
69.07072	22.5
69.99641	2.0
70.00072	4.2
71.04979	2.1
71.08620	1.3
72.08165	3.1
75.02675	1.5
78.36212	1.1
79.05505	7.0
81.03385	1.3
81.06595	1.5
81.07058	23.3
83.08626	13.2
84.08131	2.6
85.06540	1.4
91.05470	5.1
93.07050	6.6
95.08607	18.7
95.36047	1.3
97.06524	4.0
97.10186	5.8
105.07035	5.2
107.08594	3.9
109.10192	7.6
111.08086	2.5
112.53639	1.1
119.08637	2.8
121.10165	4.0
123.08089	1.3
123.11711	2.3
125.09586	1.4
133.10104	3.8
135.11729	2.2
136.06204	55.3
147.11642	1.6
252.18108	1.5
267.12924	3.4
269.10370	1.5
280.26367	55.8
297.73111	1.7
298.14413	2.8
298.18765	2.8
298.27423	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2744
Annotation	(+)-Lepadin D
Peak:m/z	Relative Intensity
53.03939	2.8
55.05280	1.1
55.05516	19.1
56.05037	8.2
57.07079	5.1
58.02952	2.4
60.04528	5.2
65.03947	1.3
67.05506	22.4
68.05012	3.0
69.07077	15.4
69.76721	5.4
71.08607	1.6
72.04505	1.0
79.05490	12.9
80.05021	2.0
81.05767	1.0
81.07063	18.6
82.06586	8.6
83.04991	1.6
83.08628	7.3
86.06054	3.6
87.34081	1.0
91.05486	9.3
93.07059	8.5
94.06570	5.0
95.04948	1.6
95.08612	14.5
96.08125	2.0
97.06528	2.1
97.10152	4.4
98.06043	1.4
100.07612	3.7
105.07019	3.8
107.08575	3.3
107.38885	1.1
109.10144	4.3
112.07634	1.8
119.08582	4.7
121.10114	5.3
122.09660	1.6
132.31422	1.0
133.10120	3.1
135.11696	1.9
136.06200	4.1
161.91582	0.9
245.22699	1.3
250.25328	9.5
262.25226	4.8
280.26382	100.0
281.26801	1.8
298.27347	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	298.2744
Annotation	4E,14Z-Sphingadiene
Peak:m/z	Relative Intensity
51.02357	0.3
53.03946	1.0
54.42552	0.3
55.01871	0.7
55.05514	13.5
56.05040	8.0
57.03426	0.4
57.07078	3.7
58.02966	2.2
58.06583	0.3
60.04229	0.8
60.04528	14.5
61.01137	0.5
65.03957	1.7
67.04253	0.5
67.05508	23.6
68.05029	3.4
69.03416	0.6
69.07073	13.7
69.33140	2.3
69.33566	0.6
71.04985	0.5
71.08656	1.7
72.04533	1.8
72.08138	0.9
74.06071	0.7
76.22372	0.3
79.05497	14.0
80.05016	3.1
81.03421	1.6
81.07060	20.2
82.06582	10.9
82.07315	0.4
83.04967	1.2
83.07342	0.4
83.08621	7.5
84.08134	1.0
85.10179	0.9
86.06073	3.0
90.05537	0.3
91.05486	8.6
93.05798	0.5
93.07046	9.3
94.06578	4.6
95.04967	1.5
95.07337	1.1
95.08611	16.3
96.08138	2.4
97.02885	0.3
97.06524	1.2
97.10175	4.1
98.06041	1.9
100.07607	2.3
105.04501	0.4
105.07037	5.0
107.08608	4.4
108.08124	1.4
109.06522	0.6
109.10161	5.2
110.09698	1.1
111.04449	0.5
111.11707	0.3
112.07615	0.9
114.09177	0.3
116.53535	0.3
117.07020	0.4
119.08602	4.4
120.08123	0.4
121.10146	4.5
122.09670	1.4
123.08081	0.5
123.11732	2.0
133.10139	2.7
135.11688	2.0
136.06198	8.5
136.11171	0.7
137.13277	0.7
139.57446	0.3
140.10757	0.7
145.10133	0.4
147.11690	1.0
149.13232	0.5
151.14819	0.4
154.12263	1.0
161.13341	0.7
161.85306	0.3
175.15009	0.4
191.17944	0.8
200.07486	0.4
217.51773	0.3
219.21066	0.4
233.22562	0.5
245.22653	0.8
250.25323	9.2
252.26906	0.4
260.23804	1.0
262.25351	4.4
263.23672	0.4
267.12936	0.3
268.26196	0.8
280.26364	100.0
281.26660	1.1
282.27869	0.4
298.10254	0.6
298.14438	0.7
298.27454	10.1
323.26828	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0971
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
58.05343	0.1
61.01157	4.6
62.73363	0.1
63.75872	0.1
69.03439	0.2
70.06618	0.2
71.24542	0.2
71.24876	0.2
72.42565	0.1
75.02711	2.3
84.08135	0.2
94.04046	0.3
94.08405	0.2
96.48523	0.1
97.02908	1.4
103.02163	0.3
109.05135	0.1
110.07213	0.2
119.03571	1.0
123.29728	0.1
136.06197	100.0
137.04610	0.3
137.06546	0.4
138.22925	0.1
145.03169	1.4
163.04254	1.2
240.99405	0.1
298.09714	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	298.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38434	0.5
53.03940	1.6
55.01871	1.9
55.05509	1.5
56.05040	0.7
56.53558	0.5
57.03438	3.2
58.02965	8.5
61.01141	1.6
61.02695	0.4
61.02934	4.3
67.05527	0.6
69.03436	9.4
69.07064	0.8
70.06583	2.1
71.03783	1.1
71.05004	1.1
72.08171	7.0
73.02914	2.0
75.02709	0.7
79.05495	1.5
81.03434	4.4
84.04526	0.6
84.08147	1.6
85.02913	46.3
86.09738	3.3
87.04468	1.1
91.03979	1.3
91.05495	6.5
97.02896	8.9
97.06548	1.6
97.35886	0.6
98.06053	2.8
99.04456	2.1
107.04979	1.0
109.02898	4.4
115.08650	1.3
117.07639	0.7
118.06560	5.1
119.07336	19.1
120.08155	0.7
123.04433	0.5
127.03931	7.7
129.10225	0.8
136.06210	22.9
136.07584	100.0
145.04997	5.3
161.08379	1.1
163.03981	0.8
164.10640	0.5
168.06546	0.8
179.08575	0.7
190.37688	0.6
192.10248	1.5
195.08026	0.6
206.07303	1.0
207.08052	4.5
223.07628	0.8
224.08257	1.2
225.76128	0.5
235.07587	6.7
249.09300	0.5
252.07887	3.8
254.93549	0.6
267.10165	8.4
283.63187	0.8
285.53500	0.6
289.15988	0.6
289.64713	2.2
298.09750	0.9
298.14133	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	297.2426
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
53.03951	4.6
55.01870	11.2
55.05517	87.6
56.24441	2.8
57.03439	6.8
57.07074	11.8
59.05003	3.6
59.61081	2.5
67.05510	100.0
69.03423	7.9
69.07075	68.2
70.80875	6.5
71.04993	4.2
71.08633	10.3
79.05499	46.5
81.07066	97.5
83.04978	7.2
83.08622	47.3
85.06543	7.5
91.05477	14.2
93.07056	44.7
95.04939	3.2
95.08618	77.4
97.06554	12.8
97.10181	58.7
99.08107	6.9
105.07032	9.0
107.08606	43.0
109.06525	5.1
109.10168	52.3
111.08089	6.4
111.11749	3.6
117.06992	5.4
119.08595	10.1
121.10171	16.1
123.11738	19.1
125.09636	35.7
131.08557	11.3
133.10127	9.5
135.08061	3.4
135.11702	30.7
136.06171	5.3
137.13289	14.4
147.11684	6.6
149.13269	8.2
151.14859	4.9
153.09096	6.4
153.12741	15.0
159.11673	4.4
161.13269	6.7
163.14807	8.5
165.12708	3.7
169.16136	3.3
171.10158	3.9
173.11812	5.9
173.13293	10.0
183.13829	8.3
189.11224	24.2
195.13724	3.2
223.16951	4.2
231.86827	2.8
233.22571	6.3
243.21150	10.6
261.22159	30.7
279.23221	67.5
297.24414	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	297.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.3
56.05045	3.4
57.74344	0.5
59.05006	100.0
60.17522	0.7
61.01158	2.0
67.05534	0.5
68.05042	0.6
70.06599	2.5
70.17548	2.5
72.08171	4.3
73.06561	1.7
74.17941	0.5
79.05532	0.5
84.04525	1.2
84.08152	2.9
86.09721	2.2
87.04510	1.8
89.06040	62.5
91.05495	1.2
93.07069	1.0
95.05002	0.8
95.06128	0.6
103.07588	64.0
104.05342	4.0
107.07111	0.7
120.08125	3.3
121.08556	0.5
123.04464	0.7
129.10298	1.1
133.08612	22.7
136.06242	4.1
136.07634	1.5
147.10197	9.7
156.28970	0.5
166.08778	0.6
177.11272	2.8
194.07338	0.8
209.13911	0.8
230.66698	0.6
265.08737	2.1
297.11395	2.3
297.19214	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2428
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
50.77426	1.6
55.01876	1.8
55.05515	11.7
57.03435	2.1
57.07073	4.0
62.06073	1.7
67.05510	30.4
69.07059	13.4
71.05004	2.1
71.08639	100.0
72.08999	1.9
79.05495	14.4
81.07067	45.7
83.04977	3.8
83.08633	13.7
91.05486	14.0
93.07058	17.8
95.08616	24.1
97.06513	3.3
97.10173	4.7
99.08106	75.9
101.06826	1.6
105.07039	15.0
107.08613	11.4
108.79820	2.0
109.06497	2.4
109.10165	9.3
111.08085	4.0
113.09693	2.4
117.07030	2.3
117.09143	2.9
119.08595	10.1
121.10152	12.3
123.11708	6.5
125.09618	2.8
127.11189	3.4
131.08562	5.9
135.11705	6.7
136.06161	2.2
137.13240	4.6
139.11172	2.3
141.12756	2.3
145.10130	6.4
147.11690	40.2
149.13324	3.3
153.12773	8.8
159.11609	2.8
161.13208	3.7
163.11191	7.3
163.14877	14.1
165.12766	18.8
167.14290	4.4
173.13278	4.4
181.15883	7.2
199.51324	1.7
209.15106	2.0
243.21146	12.0
251.23526	2.2
261.22198	17.0
263.45728	1.7
266.12640	3.2
279.23215	47.0
297.18771	2.7
297.24475	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	297.1271
Annotation	Met Phe
Peak:m/z	Relative Intensity
55.01885	0.5
55.05516	1.1
55.84972	0.4
56.05040	69.7
61.01154	49.1
69.03442	0.6
69.07069	1.0
70.06593	3.1
70.08701	1.4
70.09104	0.8
72.08163	3.9
74.06082	4.3
79.05466	0.5
81.07082	0.6
84.04501	3.2
84.08149	5.5
86.09708	3.1
89.06045	0.7
91.05477	2.7
93.07063	0.8
94.95511	0.4
95.06060	0.7
95.08584	0.4
97.06561	1.0
98.06046	0.6
103.05469	1.4
104.05335	100.0
105.07028	1.3
107.04942	0.7
110.07151	0.4
120.08116	28.4
121.08435	0.6
123.04457	0.6
129.10263	2.1
130.04982	0.5
130.06517	0.9
131.04947	1.2
132.08060	0.7
133.02826	0.4
135.04471	0.5
136.06192	3.7
136.07158	0.5
136.07567	0.4
137.05922	0.4
141.67326	0.4
146.06026	0.6
149.06004	0.7
158.09618	0.5
160.07655	0.5
166.08655	14.3
175.08687	1.3
178.05775	0.6
186.09085	0.5
203.11794	0.9
206.09892	1.0
210.03917	0.4
232.09673	2.6
237.09012	0.5
249.12398	4.9
251.12106	1.3
253.46423	0.4
266.12442	0.7
273.86758	0.5
280.10013	0.5
297.12817	3.0
298.14243	0.7
299.06143	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1271
Annotation	H-Phe-Met-OH
Peak:m/z	Relative Intensity
52.56482	0.2
55.05506	0.6
56.05042	1.7
61.01152	1.1
67.05514	0.6
69.07067	0.6
70.06599	2.9
72.08162	4.1
79.05480	0.4
81.03434	0.3
81.07074	0.4
82.10983	0.2
84.04507	1.4
84.08148	3.8
85.02877	0.2
86.09716	2.0
91.05476	1.8
93.07050	2.2
95.04964	0.6
95.06091	0.5
95.08585	0.3
97.06554	0.4
98.06077	0.3
98.09675	0.2
98.21539	0.7
99.06828	0.3
99.47451	0.2
102.05544	0.5
103.03967	0.3
103.05473	6.7
104.05331	2.3
105.07024	0.3
110.07169	0.3
111.04441	0.3
112.07612	0.3
112.11245	0.5
114.40179	0.3
115.08717	0.3
115.56937	0.2
117.07028	0.2
119.03580	0.3
120.08115	100.0
121.08458	0.6
123.04432	0.4
129.10220	1.1
130.05014	0.7
133.03178	1.9
136.05164	0.6
136.06200	8.7
137.05977	0.3
139.08696	0.3
150.05858	7.0
158.09660	0.7
163.03877	0.4
164.09367	1.0
165.09641	0.9
203.11876	1.6
203.61375	0.2
221.06183	0.2
221.10588	0.2
229.79863	0.3
249.12323	0.6
251.12315	0.5
265.08649	0.3
266.12671	0.3
267.00015	0.3
280.12494	0.2
290.48392	0.3
297.12677	2.8
298.09921	0.3
299.06339	0.6
304.76398	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03935	10.0
55.01880	25.5
55.05518	39.6
57.03431	5.2
57.07075	6.9
62.63483	2.7
65.03960	4.1
67.05510	100.0
69.03416	4.9
69.07070	38.0
71.05006	6.5
71.08633	38.8
71.50863	4.9
72.08144	3.5
79.05499	55.0
81.03431	21.8
81.07062	71.7
83.04976	13.6
83.08623	26.1
85.06543	8.2
86.09690	11.3
91.05476	33.5
93.07048	52.5
95.04990	18.3
95.08613	48.3
97.06532	17.4
97.10178	24.5
98.97606	3.8
99.08101	33.3
99.87948	3.1
105.07046	32.0
107.04957	6.9
107.08610	40.6
109.06524	8.3
109.10168	29.0
111.08077	17.4
113.09677	6.5
117.06998	7.4
119.08595	25.8
119.98108	2.7
121.06391	3.1
121.10136	25.6
123.08066	13.2
123.11696	6.8
125.00005	9.3
125.09637	19.7
129.07034	6.4
131.08546	9.8
133.10144	19.4
135.08072	7.6
135.11673	25.2
137.09624	9.7
139.11145	6.5
143.08557	8.7
145.10130	11.6
147.11665	20.0
149.09619	4.4
149.13249	16.8
151.11182	31.7
153.09074	3.6
157.10121	7.2
159.11711	7.8
161.09630	3.9
161.13271	19.9
163.11201	14.5
163.14775	4.2
165.07051	3.4
165.12706	7.8
171.11664	5.4
173.13255	5.8
175.11276	5.4
175.14847	7.9
177.12810	4.2
179.14317	20.1
184.07333	21.5
185.13210	9.2
189.11224	10.0
189.12756	4.8
197.13319	3.7
199.14726	4.3
221.15331	5.6
231.21144	4.2
234.10425	4.1
235.07742	3.5
241.19528	11.3
249.22076	4.9
250.09930	7.4
259.20612	11.7
265.12289	13.3
267.06503	5.4
277.21655	93.1
291.81158	2.8
294.43323	2.7
295.22745	26.9
307.83084	3.4
312.88229	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	296.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94694	0.4
61.67614	0.4
68.72760	0.5
71.10892	0.9
78.55698	0.4
87.45694	0.6
146.23027	0.5
147.22502	0.5
178.07796	1.3
179.08607	4.2
189.06989	1.6
190.07748	2.1
191.08583	6.0
193.10132	1.2
202.07727	1.8
203.08539	4.3
204.09329	1.6
205.06494	1.0
205.10081	1.9
206.07332	0.9
207.08076	6.5
215.08582	0.6
217.06477	2.4
218.07288	5.0
219.08075	9.0
220.08826	0.9
221.06042	4.4
221.09593	5.1
222.10396	1.7
233.09615	5.4
234.10408	32.8
235.07555	31.6
235.11188	1.0
236.08304	5.3
237.09155	1.3
238.09875	0.8
241.26237	0.6
249.09065	3.2
250.07072	0.5
250.09911	49.0
265.12253	100.0
266.12671	1.1
279.93884	0.4
296.16470	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	295.2271
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
51.50352	2.0
53.03932	7.3
55.01881	33.2
55.05277	2.9
55.05518	50.4
57.03421	6.1
57.07061	8.7
59.04994	3.0
67.05511	100.0
69.03431	11.3
69.07074	54.2
71.05002	10.8
71.08636	10.5
71.14171	2.8
73.06538	2.1
79.05074	3.6
79.05499	47.4
81.03075	1.8
81.03432	19.9
81.07064	86.2
83.04987	18.9
83.08635	18.1
85.06538	5.6
91.05481	35.6
93.06481	4.0
93.07050	65.4
93.07636	3.2
95.04975	21.8
95.08617	93.2
97.06535	14.5
97.10178	22.2
99.08104	7.5
105.07043	23.1
107.04933	2.9
107.08605	33.7
109.06519	9.1
109.10166	40.9
111.08066	6.7
111.11732	2.6
117.07010	6.2
119.08587	26.8
121.10139	24.3
123.08085	43.8
123.11697	10.4
125.09626	13.2
129.06966	3.7
131.08577	5.1
133.10159	17.9
135.08029	2.6
135.11723	22.6
137.09637	40.3
139.11200	24.5
141.09093	2.6
144.25822	2.3
145.10129	3.5
146.04457	2.1
147.11679	11.6
149.13297	13.2
151.07578	5.2
151.11217	14.4
153.09090	2.8
153.12758	4.7
159.11662	4.1
161.09592	2.1
161.13249	7.4
163.11253	2.3
163.14841	4.9
165.09149	2.8
165.12781	7.5
167.14331	6.0
173.13213	3.3
175.14790	3.0
179.14261	4.7
181.12228	8.6
185.13318	2.6
189.11189	7.1
217.19540	2.6
221.15392	3.2
231.21059	7.1
241.19508	4.1
249.22153	26.2
259.20654	12.1
265.12384	3.0
277.21661	83.0
295.22699	76.6
296.23117	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
51.02382	0.8
53.03951	5.9
55.01879	4.1
55.05514	19.1
57.03433	4.2
57.07079	5.8
57.35623	0.8
59.05029	1.0
63.51875	0.8
65.03941	1.0
67.05510	48.4
69.03431	3.9
69.07072	22.5
71.04993	4.3
71.08638	21.7
71.42634	0.8
73.06545	1.5
79.05500	25.7
81.03426	22.7
81.06598	1.6
81.07062	28.0
83.04980	11.8
83.08620	5.7
85.06553	4.1
91.04970	1.4
91.05486	14.5
92.30373	0.8
93.07051	35.1
95.04973	21.3
95.08614	27.7
97.06553	7.7
97.10169	5.5
99.08098	13.7
105.07030	8.7
105.79524	0.8
107.04967	1.9
107.08604	12.9
109.06503	5.3
109.10165	15.0
111.08090	1.2
117.07027	3.5
118.87019	0.8
119.08592	8.7
121.06487	1.5
121.09349	1.0
121.10160	13.1
123.08076	2.7
123.11706	3.5
125.09663	1.0
127.11233	1.0
129.07002	1.8
131.08575	2.8
133.10147	7.2
135.11728	7.1
137.09634	11.6
137.13216	1.0
139.11195	4.5
143.08578	0.9
145.10153	3.6
147.11691	4.4
149.09653	1.5
149.13280	4.4
151.11197	22.7
153.12770	2.5
157.10150	1.3
159.11732	3.1
161.13222	5.3
163.11172	3.5
163.14857	0.9
165.12770	2.7
167.10767	0.9
167.14339	0.9
171.11734	2.2
173.13283	1.8
177.12718	0.8
179.14297	5.5
185.13211	1.7
187.13348	0.9
189.12779	1.0
191.14323	1.2
193.15894	1.3
199.14812	1.2
203.12730	1.7
221.15373	5.6
241.19598	1.0
249.22163	1.6
259.20471	1.6
277.21643	74.6
278.21945	1.2
295.22714	100.0
296.23099	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03953	3.0
55.01632	1.8
55.01880	21.6
55.05513	28.7
57.03432	3.8
57.07076	4.6
65.03947	2.2
67.05508	67.5
69.03421	4.4
69.07074	100.0
69.87305	2.2
69.87712	5.4
71.05000	8.8
71.08633	2.1
73.06548	2.7
79.04778	2.1
79.05501	53.2
81.03424	5.7
81.07061	97.4
83.04993	12.2
83.08625	17.2
85.02872	2.0
85.06112	2.1
85.06549	12.9
91.05494	38.9
91.06068	1.3
93.07049	52.1
95.04955	10.1
95.08614	64.8
97.06533	23.0
97.10185	7.0
99.04453	1.9
99.08114	12.6
105.07036	30.7
107.04983	2.4
107.08602	37.8
109.06525	6.9
109.10167	14.4
111.04503	1.5
111.08085	10.8
111.08816	1.5
113.06041	1.8
113.09656	1.9
115.07574	10.9
117.07011	3.3
119.08601	24.7
121.06561	2.2
121.09337	2.7
121.10163	37.0
123.08063	12.3
123.11730	5.8
125.09632	32.8
128.06245	2.1
129.07004	6.9
131.08578	9.1
133.10156	20.4
135.08047	2.4
135.11703	33.8
137.09624	4.7
137.13261	3.2
139.11203	3.0
141.09169	3.8
143.08583	6.7
145.10164	8.4
147.11688	37.4
149.09619	2.9
149.13295	12.4
151.11194	5.4
153.12704	2.0
157.10175	4.3
159.11668	8.3
161.13293	17.8
163.11209	7.4
163.14832	7.1
163.88274	1.7
165.12772	8.1
169.10194	1.6
171.11713	16.5
173.13249	4.5
175.14830	5.2
177.12825	1.9
179.14342	10.6
181.15933	2.5
183.15239	1.5
185.13283	7.2
187.14856	1.8
189.12810	7.3
195.13870	2.9
199.14818	1.8
207.13820	4.4
209.15349	2.6
221.15382	2.5
235.16937	3.2
241.19485	8.6
249.22232	3.6
259.20642	12.1
277.21671	61.4
295.22739	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
52.04760	2.5
53.03956	27.4
55.01873	6.0
55.05515	36.3
57.03436	5.6
57.07071	6.8
58.12153	2.7
67.05511	81.5
69.03405	4.4
69.07078	50.0
69.29626	22.9
71.08640	7.4
73.73196	2.7
79.05501	46.2
81.03427	93.0
81.07066	67.5
83.04967	19.9
83.08621	11.3
85.06560	5.1
85.10152	3.0
85.96358	2.4
90.66284	3.0
91.05486	24.9
93.07050	46.9
95.04976	46.4
95.08617	30.6
97.06516	5.7
97.10192	8.6
99.08093	7.9
105.07045	24.4
107.08599	29.5
107.45454	2.3
109.06527	11.5
109.10176	19.5
111.08100	3.6
113.09666	3.3
119.08608	13.7
121.10146	13.5
123.08109	3.0
123.11712	8.2
125.09628	9.9
129.07010	4.3
131.08562	3.4
133.10150	19.0
135.08031	4.7
135.11717	9.1
137.09599	4.3
145.10123	5.0
147.11703	14.9
149.13289	8.7
151.11194	62.7
153.09128	3.2
153.12564	2.9
157.10085	4.0
161.09627	4.4
161.13226	18.3
163.14806	6.6
165.12769	12.6
171.10307	3.2
171.11772	6.6
175.14894	5.7
179.14288	7.0
185.13370	4.1
203.50102	2.5
207.13890	4.3
221.15266	4.7
231.21039	10.9
241.19627	9.0
249.22133	7.7
259.20630	10.1
277.21655	100.0
283.53107	2.7
295.22708	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03953	5.0
55.05527	27.4
56.87122	4.4
64.29108	3.5
67.05510	56.9
69.07078	21.6
69.24628	32.6
69.25038	9.1
71.08637	38.2
75.53777	4.2
79.05502	45.7
81.03455	9.8
81.07072	62.4
83.04977	13.0
83.08633	16.1
83.58057	4.2
91.05502	32.8
93.07053	62.4
95.04948	10.1
95.08614	39.6
96.35284	4.1
97.06520	4.6
97.10174	10.3
98.21479	8.2
99.08111	32.0
105.07043	20.4
107.08622	32.3
109.06522	5.6
109.10171	20.3
111.94128	4.0
119.08577	12.9
121.10149	30.3
123.82867	3.9
123.99815	4.7
129.06970	4.8
131.08582	5.5
133.10130	12.1
135.11700	33.7
137.09637	6.1
141.09073	7.0
149.13202	9.3
151.11162	15.7
153.12813	4.8
159.11691	5.1
161.13242	10.5
163.11180	7.3
179.14334	100.0
195.13533	4.2
211.70891	5.5
259.20532	6.0
277.21671	38.1
295.22830	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	295.2272
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
50.62328	2.4
53.03941	7.3
55.01867	9.3
55.05518	40.0
56.53134	2.7
57.03426	3.7
57.07103	5.8
65.03935	4.0
67.05511	100.0
69.03417	2.8
69.07078	36.0
71.04994	12.8
71.08640	15.3
71.28909	6.0
79.05498	46.8
81.03424	12.1
81.07063	63.2
83.05006	13.1
83.08641	13.5
85.06536	6.2
91.05486	23.8
93.07051	66.9
93.09616	2.5
95.04997	13.9
95.08617	80.7
97.06538	10.2
97.10168	27.1
99.08081	10.1
105.07027	17.9
107.04949	3.1
107.08588	34.1
108.12748	2.3
109.06530	8.1
109.10164	25.6
111.11732	3.1
117.06973	5.3
119.08575	15.1
121.10161	29.2
123.08061	8.1
123.11697	4.7
125.09630	18.7
129.07057	3.2
131.08542	9.2
133.10126	16.3
135.08060	3.6
135.11678	20.6
137.05997	19.2
137.09631	10.7
138.06369	12.5
139.11177	11.5
143.08568	2.9
145.10129	7.1
147.11707	11.2
149.09572	2.9
149.13271	11.4
151.10144	2.5
151.11148	14.7
157.10112	3.9
159.11749	4.9
161.13275	9.8
163.11223	5.6
163.14830	3.4
171.11761	4.1
173.13301	5.3
175.14854	5.3
179.14278	4.6
185.13278	3.5
187.14874	3.2
189.11227	12.3
203.12820	4.4
231.21056	4.1
235.17253	3.0
241.19597	5.2
249.21950	4.6
259.20587	16.0
277.21664	81.9
295.22714	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	295.2272
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03936	9.2
55.01865	14.5
55.05270	4.6
55.05518	57.8
55.80083	2.9
57.03420	7.6
57.07066	11.5
57.20739	3.1
58.67488	2.9
58.71587	2.9
59.04991	3.6
61.29762	3.1
65.03946	4.7
67.05510	100.0
69.07077	39.8
69.17062	6.2
69.17474	29.0
71.04992	7.2
71.08633	19.5
76.02793	3.7
79.05497	47.6
81.03402	9.8
81.07061	79.4
83.05000	20.6
83.08620	23.4
85.02893	4.1
85.06535	10.1
85.10164	5.6
91.05487	36.9
93.07052	63.5
95.04987	24.2
95.08616	60.2
97.06523	9.4
97.10183	22.9
99.08079	14.4
105.07043	27.8
107.04945	4.2
107.08603	35.0
109.06503	15.0
109.10148	32.4
111.08073	14.5
113.09670	3.2
117.07031	6.3
119.08573	20.8
121.10158	26.0
123.08042	11.7
123.11727	7.8
125.09605	14.9
129.06984	4.9
131.08562	9.3
133.10129	20.5
135.11678	14.9
137.05992	12.8
137.09572	11.8
139.11201	22.2
142.08658	5.0
143.08536	4.7
145.10109	11.3
147.11694	19.1
148.02577	3.5
148.95978	3.3
149.09566	3.8
149.13277	13.9
151.11172	11.5
153.12767	3.9
157.10062	8.6
159.11703	6.6
159.42665	3.2
161.13286	14.0
163.11249	5.8
165.12752	8.6
173.13347	5.1
175.14778	7.3
177.12816	5.5
179.14293	7.0
189.11221	6.0
193.12231	6.2
221.15326	6.7
231.20946	3.7
235.07562	4.0
240.32852	3.3
249.22113	4.4
259.20557	7.6
265.12222	8.7
277.18469	4.9
277.21643	83.9
295.17419	4.3
295.22809	68.0
296.22272	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	295.227
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03942	3.7
55.01871	13.3
55.05273	3.0
55.05513	36.5
62.27208	2.4
64.60796	2.3
67.05511	61.6
69.03413	2.6
69.07073	100.0
70.28206	2.3
70.62722	8.3
71.04979	9.5
71.08632	2.8
79.05492	47.1
81.07063	98.5
83.04975	11.5
83.08620	14.2
85.06529	10.3
91.05483	32.0
93.07055	56.8
95.04974	5.3
95.08001	3.0
95.08616	60.1
97.06529	20.6
97.10159	9.9
99.08086	13.6
105.07040	23.1
107.08595	33.1
109.06528	10.6
109.10174	15.5
111.08073	3.8
115.07560	7.1
117.06998	3.3
119.08585	22.6
121.10160	34.4
123.08065	11.2
123.11715	8.9
125.09649	36.2
129.07008	4.2
131.08575	11.5
133.10162	15.6
135.08038	3.3
135.11700	32.1
137.09589	4.0
139.11143	4.5
145.10130	10.8
147.11679	23.6
149.13240	12.2
151.11201	2.7
159.11691	6.9
161.13271	13.9
163.11206	4.3
163.14815	4.9
165.12749	10.7
171.11682	9.5
173.13300	5.1
175.14787	3.4
178.66605	2.4
179.14215	3.5
181.15787	3.0
185.13194	5.4
189.12714	5.9
207.13710	4.7
241.19460	9.1
259.20572	13.6
277.18817	4.6
277.21622	56.6
295.22687	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2271
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03950	5.1
55.01877	18.2
55.05514	26.8
57.03442	4.2
60.75396	2.4
67.05508	53.8
69.07076	100.0
69.35891	3.0
70.02644	6.2
70.03040	5.7
71.04993	9.3
73.06586	3.2
79.05502	39.6
81.03420	4.6
81.07064	87.5
81.56794	3.1
83.04993	12.5
83.08618	16.1
84.98127	3.4
85.06535	11.5
91.04984	3.2
91.05492	31.6
92.27286	2.7
93.07047	41.8
95.04962	8.0
95.08621	51.0
97.06532	14.5
97.10175	4.7
98.21420	3.9
99.08101	17.3
105.07038	29.4
106.35188	2.8
107.08594	25.8
109.06555	6.5
109.10171	12.4
111.08092	8.2
113.05940	3.1
115.07579	5.2
119.08577	23.4
119.79101	2.7
121.10143	27.6
123.08069	10.8
123.11677	4.0
125.09639	29.6
129.07019	4.4
131.08612	7.7
133.10106	14.0
135.11705	25.3
137.09644	8.2
145.10152	8.5
147.11694	23.4
149.13264	6.8
151.11205	6.5
159.11702	4.1
161.13290	16.3
163.11243	3.9
163.14796	4.1
165.12839	6.4
171.11717	8.5
173.13306	4.7
175.14873	5.0
177.12625	3.7
179.14406	6.8
185.13307	5.6
189.12791	8.5
241.19650	3.9
259.20587	11.0
277.21634	42.6
295.22723	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03950	7.8
55.01866	4.6
55.05275	1.7
55.05515	22.6
57.03427	4.4
57.07060	5.4
65.03927	1.8
67.05508	49.9
68.91290	1.1
69.03420	4.5
69.07074	22.7
69.93556	4.1
71.04982	3.7
71.08634	22.8
79.05070	2.4
79.05499	28.5
81.03419	18.8
81.07060	33.4
83.04986	11.3
83.08639	7.0
85.06542	4.7
91.05495	14.4
93.06487	2.4
93.07043	35.8
95.04971	22.8
95.08619	25.6
97.06525	8.4
97.10176	6.8
99.08102	14.4
105.07022	10.0
107.05009	2.2
107.08606	14.8
109.06525	5.9
109.10164	13.8
111.08121	1.6
117.07048	2.2
119.08570	9.2
121.10149	10.4
123.08033	2.2
123.11728	2.6
125.09683	1.5
127.11177	2.1
129.06969	1.6
131.08548	3.4
133.10114	6.8
135.11723	7.1
137.09608	10.6
139.11185	3.5
143.08553	2.7
145.10107	2.8
147.11713	3.5
149.13254	5.2
151.11186	23.8
153.12694	1.6
159.11711	3.6
161.13269	4.0
162.05325	1.5
163.11237	3.5
165.12747	2.3
167.10678	2.3
171.11627	2.5
173.13225	2.1
175.14873	2.0
179.14349	5.0
185.13269	2.6
199.14758	2.0
205.06592	1.6
213.16394	1.2
221.15256	6.6
249.22211	3.3
259.20569	2.8
277.21640	85.8
295.22723	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03941	6.6
55.01878	35.5
55.05269	4.3
55.05518	52.2
57.03429	7.0
57.07076	9.9
66.46368	2.9
67.05508	100.0
69.03412	7.3
69.07078	41.2
70.17723	13.6
71.04983	4.5
71.08640	25.1
79.05502	50.0
81.03419	21.7
81.07067	77.4
83.04996	21.2
83.08624	24.1
84.88258	3.7
85.06556	6.6
91.05485	42.5
93.07050	61.7
95.04970	19.6
95.08606	45.3
97.06551	14.0
97.10181	12.7
99.08128	15.2
105.07044	29.6
107.04971	5.3
107.08603	32.2
109.06526	11.3
109.10164	28.0
111.08092	30.6
117.07015	11.7
119.08592	22.1
121.06498	5.4
121.10152	26.6
122.23436	3.7
123.08080	10.6
123.11730	9.3
125.09641	10.6
128.06285	4.2
129.07016	7.6
131.08556	10.5
133.10158	22.0
135.08040	3.8
135.11705	17.6
137.09628	8.7
139.11200	12.6
142.07767	3.7
143.08572	11.6
145.10153	9.6
147.08090	3.9
147.11694	16.6
149.09618	7.0
149.13274	13.8
151.11169	25.5
155.08603	4.8
157.10115	8.6
159.11635	6.3
161.13286	18.7
163.11174	6.4
165.12785	14.4
167.08510	3.3
167.14436	4.3
167.56317	3.0
169.10118	6.7
171.08125	10.3
171.11693	5.1
173.13287	6.9
175.11237	5.4
175.14806	3.5
176.73015	3.2
179.14333	8.5
185.13351	6.5
189.11287	7.0
189.12743	5.4
193.09743	3.7
195.11803	7.2
195.13872	3.9
197.09718	7.9
199.14841	6.8
215.10475	3.4
221.15366	6.8
227.14426	4.3
241.19557	6.0
259.20688	12.5
277.16391	3.9
277.21689	86.0
295.16888	18.4
295.22925	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1905
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
55.01871	10.5
55.05502	7.1
57.07074	3.1
67.05509	10.4
69.03445	1.6
69.07071	5.5
69.85450	6.8
79.05482	10.7
81.03421	2.2
81.07062	36.8
83.04987	3.8
83.08617	2.1
91.05482	5.2
93.07050	7.7
95.04977	2.3
95.08614	8.4
97.06586	1.7
97.10117	1.3
99.08093	2.5
105.07025	4.2
107.08597	6.7
109.06522	11.3
109.10170	3.9
111.04459	8.5
111.08095	1.4
119.08600	5.4
121.10170	4.0
123.08089	1.6
123.11723	1.3
125.06011	3.8
131.08517	1.4
131.52368	1.2
133.10149	4.0
135.07962	3.7
135.11681	3.9
137.05986	100.0
137.09563	3.1
140.25137	1.2
143.08661	2.2
144.90823	1.2
145.10133	1.5
147.11711	4.9
149.09618	4.1
151.07666	3.3
151.11198	3.0
155.76984	1.3
161.09627	4.9
161.13312	2.1
163.11244	2.4
167.10768	1.2
171.11771	2.0
173.13202	2.3
175.11237	3.4
179.10678	1.9
181.12321	1.3
201.66039	1.2
203.17958	4.5
210.88025	1.3
213.16588	1.7
221.18968	1.4
223.14859	1.6
223.19980	1.5
231.17514	9.0
241.15865	1.9
249.18472	10.1
265.12231	2.4
277.18042	35.2
277.21570	6.5
285.69394	1.6
295.19290	3.3
295.22635	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	295.2269
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
50.58279	1.8
53.03941	7.9
55.01880	9.0
55.05513	39.2
57.03424	5.1
57.07087	13.0
59.05000	2.1
67.05509	56.5
69.03423	4.8
69.07069	26.1
69.93214	8.9
71.05013	4.6
71.08636	18.5
79.05500	41.2
81.03425	26.2
81.07062	45.8
83.04977	12.4
83.08621	14.8
85.06538	2.6
85.10178	13.2
86.09698	4.3
91.05492	22.9
93.07049	38.7
95.04974	25.5
95.08609	28.3
95.21055	1.8
97.06507	7.3
97.10171	12.6
97.13431	1.7
98.20804	1.8
99.08102	14.8
104.10754	4.7
105.07039	20.2
107.04952	3.3
107.08597	18.4
109.06520	6.5
109.10168	16.1
111.08081	4.4
113.09044	1.7
113.09671	14.8
117.07031	3.6
119.08569	7.8
121.10159	12.3
123.08053	6.0
123.11684	2.4
125.09675	10.2
129.06992	6.1
131.08505	6.3
133.06493	14.3
133.10155	10.1
135.08084	2.1
135.11710	10.5
137.09683	3.8
139.11142	3.0
143.08533	2.9
145.10135	5.4
147.08078	2.6
147.11716	9.1
149.09618	5.8
149.13246	6.2
151.11209	17.7
153.12724	3.1
157.10114	2.1
159.11676	2.3
161.13226	8.7
163.11171	4.9
165.12779	31.5
167.14342	2.3
170.71292	1.8
171.08026	1.8
171.10233	2.0
171.11659	4.2
173.13264	3.3
179.14330	6.3
184.07321	3.6
185.13226	2.6
189.11304	3.2
191.14380	1.9
192.99500	1.7
207.13837	4.1
231.21040	1.8
241.19551	5.6
259.20618	5.0
277.21640	75.7
295.22696	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.05500	2.6
55.06824	0.7
56.01120	0.8
57.03441	0.7
59.04993	0.8
67.05512	3.5
69.03436	1.3
69.07062	1.8
70.06581	2.7
70.27504	2.7
71.04998	1.0
72.08148	2.5
79.05482	3.1
81.03434	1.3
81.07055	5.8
83.05001	1.7
83.08612	1.4
84.08147	3.5
86.09710	1.5
91.05483	2.4
93.07026	3.3
93.90092	0.8
95.04951	1.0
95.08057	0.7
95.08602	3.6
97.06505	1.1
98.97581	0.8
103.05480	1.1
105.07034	2.4
107.04932	1.8
107.08595	2.1
109.06527	1.6
109.10160	2.0
111.08154	0.8
119.08598	1.8
120.08150	0.9
121.10154	1.2
123.08079	1.3
125.06081	0.7
129.06964	1.0
131.04901	1.1
133.06517	1.3
133.10141	0.9
135.08035	1.4
137.09583	0.8
139.03683	1.7
147.08029	0.9
147.11729	1.6
149.09605	1.1
151.07451	1.2
159.11719	0.8
163.07593	2.7
166.85904	0.9
221.11661	0.9
237.87863	0.8
260.62167	0.7
277.14453	0.8
295.15189	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1655
Annotation	Tyr Leu
Peak:m/z	Relative Intensity
55.01870	0.3
59.58472	0.3
64.80141	0.3
65.03936	0.5
69.07063	0.5
70.06594	0.7
70.19183	1.2
72.08152	1.3
74.02428	0.8
74.06068	0.3
84.04477	0.4
84.08148	0.6
85.02892	0.6
86.09711	5.1
91.05489	23.6
99.05593	0.6
107.05009	0.4
109.06504	0.5
118.06566	1.0
119.04954	15.6
120.08094	0.6
121.06522	2.6
129.10223	0.5
130.05000	0.4
130.08638	0.9
132.10208	1.7
136.07590	100.0
137.07965	0.8
145.06071	0.8
147.04376	0.5
162.03165	0.4
205.99034	0.4
206.99429	0.6
249.13797	0.3
249.15985	1.7
250.14507	0.6
251.78764	0.3
278.06818	0.6
278.14005	0.8
295.09811	0.4
295.16565	3.9
315.63943	0.3
319.62274	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1291
Annotation	gamma-Glutamylphenylalanine
Peak:m/z	Relative Intensity
51.34023	0.3
54.89364	0.4
56.05036	2.0
69.07053	0.4
70.06580	1.6
70.23370	1.4
71.04984	0.9
72.08162	4.0
73.08505	0.4
73.74697	0.4
74.00655	0.5
76.83212	0.4
78.01527	0.3
79.05502	0.8
84.04508	31.3
84.08145	3.4
85.02888	0.8
86.09708	3.4
88.03957	0.3
89.10787	0.5
91.05487	2.2
93.07043	1.3
102.03777	0.4
102.05550	1.1
103.05480	7.2
107.04965	2.7
116.07030	0.3
119.04962	1.1
120.08110	100.0
121.08444	0.9
129.10236	1.2
130.05011	5.1
130.06517	0.5
130.08601	0.5
131.04918	4.0
136.07600	6.0
148.03979	2.0
149.06029	2.5
150.07777	2.1
158.06004	0.8
162.03130	2.5
166.08644	37.2
186.09137	7.2
206.97488	0.4
206.99478	0.6
221.07536	0.5
232.09708	5.5
278.07239	0.5
278.10199	4.1
279.09680	0.8
295.04654	0.8
295.10190	0.3
295.13159	3.5
296.12592	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1289
Annotation	Phenylalanylglutamate
Peak:m/z	Relative Intensity
50.31854	0.4
55.01876	1.0
55.05515	2.7
55.75120	0.4
56.05032	1.1
56.96565	0.7
60.04533	0.8
67.05476	0.4
69.03458	0.4
69.07066	0.5
69.94962	1.1
70.02950	0.4
70.06614	2.1
72.08160	5.3
74.00664	2.3
74.06072	0.4
76.04002	0.8
83.08603	0.6
84.04510	8.7
84.08149	7.0
85.02065	0.3
85.02909	0.9
85.04047	0.5
85.08453	1.1
86.09222	0.5
86.09711	5.8
88.03986	0.5
91.05474	1.0
92.01721	1.9
93.07044	1.8
95.04987	0.3
99.05585	12.6
102.05563	2.4
103.05473	6.1
107.04978	0.4
112.03998	1.7
112.08737	0.5
118.03667	0.3
119.04984	0.7
120.08112	100.0
121.02877	0.4
121.08449	1.4
123.37671	0.3
123.80521	0.3
127.05013	1.8
129.10184	1.7
130.05013	6.2
131.04829	0.6
136.07588	1.2
140.08258	0.4
145.06097	12.6
147.04373	0.9
147.07617	0.5
148.04033	0.4
148.06056	7.4
150.07782	0.4
151.03940	0.3
159.02293	0.3
166.08620	1.7
174.09428	0.4
174.96973	0.4
175.08002	0.4
177.03296	1.0
178.01750	0.8
185.61263	0.4
186.09100	0.7
186.96791	0.4
192.10545	1.6
195.04393	1.1
249.12529	0.8
277.11938	0.7
278.10138	0.4
295.12927	4.8
295.18063	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.3
55.01867	1.4
55.05306	0.3
55.05521	3.3
56.05045	1.6
56.96564	0.4
60.04519	0.7
65.25076	0.3
69.03433	0.5
69.07071	0.7
69.69495	1.9
69.87702	0.3
70.06597	3.5
71.06926	0.3
72.08163	7.5
74.00668	3.0
74.06097	0.6
76.04002	0.7
79.05505	0.3
83.08601	0.7
84.04511	9.3
84.07635	0.5
84.08151	9.6
85.02924	0.7
85.04039	0.5
85.08510	1.7
86.09227	0.6
86.09716	8.3
88.03996	0.7
88.44728	0.3
91.05481	1.5
92.01706	2.3
93.07058	2.0
95.06103	0.4
98.06059	0.6
98.97561	0.4
99.05592	13.4
99.08111	0.3
102.05550	2.0
103.05475	6.1
107.04946	0.8
110.07194	0.6
112.03988	1.3
113.07110	0.4
115.08731	0.5
116.07114	0.4
118.06630	0.3
119.04940	0.6
120.08118	100.0
121.08475	2.0
127.05060	2.3
129.10255	4.4
130.05025	9.2
130.08676	0.6
131.04971	0.3
132.95848	0.7
136.07584	1.7
145.06096	16.8
146.06102	0.4
147.04411	1.6
147.11234	0.7
148.06061	7.8
148.07858	0.4
151.03867	0.4
157.10847	0.7
165.05434	0.5
166.08641	2.2
174.96909	0.4
177.03311	0.7
178.01703	1.3
185.16687	0.3
186.97043	0.4
192.10545	2.2
195.04396	1.2
198.91881	0.4
204.13626	0.3
209.09187	0.4
219.01962	0.5
226.11987	0.4
231.11296	0.7
234.99077	0.6
249.12434	0.8
277.11758	1.6
278.10138	0.4
295.06415	0.4
295.13016	5.0
295.18091	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	294.1704
Annotation	Sieboldine A
Peak:m/z	Relative Intensity
55.01880	2.9
55.05519	2.6
56.05046	1.0
57.03435	0.3
58.06604	0.4
60.04528	0.3
67.05511	0.8
68.05042	0.9
68.22211	0.3
68.51855	0.3
69.03432	0.5
69.07066	0.8
70.02940	0.6
70.06596	6.2
71.01346	0.4
71.05000	2.5
71.06916	0.3
71.19342	0.6
71.19690	0.5
72.07814	0.5
72.08170	6.3
73.02926	0.4
73.08482	0.5
79.05502	0.7
81.07060	0.6
83.04999	1.0
83.06068	0.3
83.08635	2.8
84.04494	1.4
84.07646	0.5
84.08155	9.3
85.02891	0.6
86.09720	4.6
88.03975	0.6
91.05491	1.4
93.07056	0.5
94.06570	0.7
95.05010	0.4
95.06062	0.4
95.08604	0.5
96.08144	1.0
97.06536	0.8
98.06073	0.4
99.04475	0.5
103.05476	0.4
107.08595	3.7
109.57499	0.3
110.07182	0.9
111.96661	0.4
112.07652	0.5
112.11243	0.8
114.09165	0.4
115.03940	0.4
119.04962	0.7
120.08112	3.1
122.06044	6.7
122.09664	0.4
123.08066	0.4
125.09647	2.8
129.10242	3.7
130.04996	0.6
130.08627	0.4
136.06181	1.5
136.07582	1.0
137.09602	0.4
139.11160	0.3
140.07079	32.2
142.08638	1.9
145.02820	0.7
156.07748	0.4
159.88991	0.4
166.12329	2.0
167.45576	0.4
168.06577	27.3
177.05501	1.2
177.99579	2.6
178.80101	0.4
178.86267	0.4
182.11803	1.8
189.75090	0.3
190.73230	0.4
205.99104	7.1
206.37691	0.3
210.11444	0.6
211.12059	4.3
235.01559	0.5
252.15977	22.9
253.16225	0.5
277.06473	3.3
294.10156	2.0
294.17035	100.0
295.17361	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.145
Annotation	Phe-Ala-Gly
Peak:m/z	Relative Intensity
55.05514	1.4
56.05030	0.7
57.39349	0.6
67.05538	0.6
69.07063	0.8
70.06597	5.0
70.86747	0.5
71.05000	3.0
71.40577	1.2
72.08164	6.7
84.04513	3.6
84.08154	9.6
85.94317	0.5
86.09711	5.0
90.25471	0.6
91.04706	0.5
91.05477	2.5
95.06104	0.6
101.07150	35.3
103.05463	3.4
107.04985	1.5
112.08747	0.5
117.69427	0.6
119.04971	1.7
120.08115	100.0
121.08500	1.2
129.06613	11.7
129.10239	1.7
131.04938	2.4
136.07596	8.3
149.06029	1.7
157.63640	0.6
165.93767	0.5
166.08649	43.2
174.05600	0.7
177.10239	1.6
177.99615	1.9
188.07129	0.6
196.00719	0.6
205.99088	5.6
208.44768	0.5
223.10757	1.2
224.00133	0.8
237.12401	1.7
248.09166	0.7
250.38438	0.6
277.06528	2.4
294.04337	2.5
294.09201	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	294.1451
Annotation	Phe-Ala-Gly
Peak:m/z	Relative Intensity
55.05510	0.7
56.05032	2.0
57.03425	0.4
67.05516	0.8
69.03429	0.5
69.07093	0.6
70.06593	3.1
71.14758	0.9
72.08160	2.7
72.71756	0.5
73.02916	0.5
74.06070	0.5
76.42960	0.4
83.06123	0.8
84.04515	26.8
84.08151	27.7
85.02905	1.5
86.09715	2.0
88.03979	0.5
91.05465	1.7
91.99513	0.3
93.07042	1.9
95.04989	0.4
95.06107	0.5
97.02899	0.7
98.06058	0.4
101.00915	0.6
101.07164	2.7
101.10789	1.0
103.05472	6.8
103.51955	0.3
110.07158	0.4
112.07609	1.3
115.42651	0.4
116.07063	0.5
118.06529	0.5
119.01930	1.0
120.08118	100.0
121.08452	0.6
129.10277	4.7
130.05020	37.6
130.08676	0.7
131.04861	2.2
136.07661	0.6
144.01962	0.5
147.07663	41.0
147.11296	1.4
158.06546	0.5
161.03070	0.4
162.03236	0.7
165.10307	2.8
166.08627	0.7
173.03008	0.5
186.09125	0.5
260.09250	1.5
276.13580	0.8
277.11908	5.1
277.15253	1.0
294.08438	1.0
294.11319	0.6
294.14575	8.1
294.18170	2.7
312.08102	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.145
Annotation	Gln Phe
Peak:m/z	Relative Intensity
54.10723	0.7
56.05040	7.3
69.07066	0.8
70.06593	5.1
71.04997	1.2
71.48755	0.8
71.49153	0.9
72.08163	4.8
75.23023	0.6
80.89021	0.7
83.06111	59.0
84.04513	62.0
84.08150	13.5
85.02918	2.6
86.09703	4.9
91.05495	2.2
93.07053	1.3
95.06153	0.9
97.02901	1.1
97.46026	0.7
98.97596	1.0
101.07146	7.8
103.05476	2.5
107.04963	1.4
110.07153	0.7
111.35385	0.6
120.08115	100.0
121.08424	0.7
121.60942	0.7
129.06619	2.2
129.10248	3.0
130.05032	1.0
131.04918	2.0
136.07602	1.0
149.05966	1.2
150.05548	1.5
166.08652	37.3
172.16167	0.7
177.99542	0.7
186.09190	6.6
192.62750	0.8
205.99074	2.3
230.12923	6.7
231.11308	28.2
232.09711	2.3
257.46286	0.7
259.10922	1.9
276.13458	54.6
277.11823	24.5
294.14450	2.0
294.18155	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2841
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
52.59130	0.9
53.03936	2.2
55.01866	2.5
55.05514	30.1
57.07081	22.4
57.25756	1.0
67.05510	32.9
69.03422	2.3
69.07076	56.0
71.04981	3.8
71.08636	10.4
72.75133	1.0
79.05497	19.2
81.03410	1.8
81.07066	100.0
83.04955	2.4
83.08627	34.5
85.06549	14.0
85.10189	2.4
87.63670	0.9
91.05493	9.2
93.07052	31.7
95.04969	5.9
95.08616	83.7
97.06534	7.2
97.10181	16.5
99.08099	9.0
105.07040	8.8
107.04955	1.5
107.08604	46.0
109.06512	4.5
109.10167	59.1
111.08100	10.4
111.11720	10.4
113.09631	2.5
117.07014	1.6
119.08581	3.5
121.10160	20.8
123.08094	1.9
123.11720	43.0
124.32809	1.0
125.09642	7.1
125.13268	4.3
131.08577	2.9
133.10094	2.3
135.11696	10.5
137.09660	1.9
137.13271	20.0
139.11200	3.7
145.10124	2.3
147.11662	3.5
149.09528	1.8
149.13281	24.1
151.11209	7.4
151.14835	4.5
153.12779	4.3
155.08649	1.6
156.09361	1.3
159.11687	2.0
161.13280	1.5
163.14784	6.2
165.12808	1.2
165.16402	3.1
167.14313	8.1
171.11789	1.3
173.13310	1.3
177.12830	1.4
177.16454	2.5
179.17976	2.7
182.10901	1.5
183.11601	1.1
191.14285	1.2
191.17931	1.9
193.19586	1.6
197.13254	3.3
205.19585	1.6
219.21051	1.8
247.24094	1.1
249.25845	4.2
257.18918	1.5
275.20160	10.1
275.27393	8.1
293.10168	1.4
293.21103	8.4
293.28403	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2477
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03947	1.5
54.79297	0.7
55.01880	1.2
55.05516	12.3
57.03428	1.1
57.07065	3.8
59.05027	0.8
65.03952	3.4
67.05511	90.7
67.64295	0.6
68.36613	0.6
69.01492	0.7
69.03440	1.2
69.07075	13.9
69.07425	1.3
71.05011	1.5
71.08627	1.1
71.50809	0.9
73.06561	0.7
79.05498	19.0
81.03431	2.2
81.07065	100.0
83.04997	3.2
83.08626	7.2
85.06560	3.0
85.10163	0.7
91.05483	9.1
93.07056	17.0
95.04996	6.2
95.08617	74.8
96.08941	0.8
97.06533	4.2
97.10191	4.4
99.08134	0.9
105.07043	8.6
107.04977	1.8
107.08606	12.6
109.06525	2.8
109.10167	32.8
111.08089	2.3
111.11758	1.0
115.07586	1.2
117.07027	3.8
119.08602	6.8
120.03600	0.8
121.06581	0.8
121.10144	11.4
121.10942	1.1
123.08092	3.0
123.11719	17.2
125.06069	0.9
125.09618	1.1
131.08574	7.5
133.10152	5.1
135.08095	2.8
135.11711	7.1
137.09644	2.6
137.13252	10.1
139.11235	1.6
141.48436	0.7
145.10139	5.7
147.11736	5.3
149.09651	3.2
149.13290	5.5
151.11214	5.3
151.14830	2.6
155.10748	0.9
159.11748	5.6
161.13293	3.3
163.11174	3.1
163.14816	2.8
165.12738	1.9
165.16356	1.2
169.10158	1.3
173.13300	6.7
177.12750	3.2
177.16374	1.9
179.14317	1.6
187.14897	3.3
191.10670	0.8
191.14342	2.0
195.13928	1.2
201.16376	1.3
202.47757	0.7
205.15915	0.9
207.13821	1.0
219.13832	0.9
219.21030	1.6
223.16991	1.4
233.22757	0.9
237.11241	1.9
237.14774	1.0
243.21152	5.7
257.19086	1.0
261.22168	5.0
275.20111	6.2
293.21115	9.9
293.24750	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.31485	1.8
53.03944	5.8
55.01871	9.6
55.05518	27.9
57.03434	4.0
57.07075	4.4
61.57560	1.6
62.18118	1.8
63.14665	1.6
67.05508	43.6
69.03423	4.0
69.07076	99.2
69.52843	5.0
69.53256	7.2
71.04983	6.6
71.08617	2.8
79.05076	3.0
79.05502	39.3
81.03423	16.6
81.07062	43.2
83.04981	12.3
83.08632	9.0
85.02854	2.7
85.06554	4.4
91.05487	33.8
93.07053	46.8
95.04977	100.0
95.08614	30.1
97.06539	15.5
97.10182	8.4
98.20834	2.7
99.08099	2.2
100.20084	1.7
100.82770	1.6
105.07027	27.2
107.04962	25.1
107.08594	24.7
109.06519	12.3
109.10146	10.2
111.08090	3.6
111.11700	2.8
115.05514	2.4
117.07030	13.4
118.07838	2.0
119.08592	24.9
120.51407	1.8
121.06495	8.0
121.10170	22.8
123.08070	6.4
123.11752	3.4
125.09605	3.7
129.07014	3.1
131.08583	15.3
133.10130	20.8
135.08066	33.2
135.11699	5.9
137.09601	5.3
139.11197	11.6
143.08578	2.5
145.10138	12.4
147.11682	10.6
149.09647	13.2
149.13263	4.3
151.11154	12.7
155.08571	3.6
157.10080	3.3
159.11729	10.7
161.09589	3.7
161.13358	2.6
163.11218	3.9
171.11685	3.3
173.13309	4.9
177.12811	10.6
183.11739	2.4
187.13345	2.3
189.11295	1.9
191.14418	5.3
199.15103	1.9
201.12714	6.3
203.12781	8.8
207.13823	8.5
215.17957	1.8
219.13712	4.7
219.17502	2.3
225.14879	6.9
229.19456	3.2
237.11285	4.1
237.14853	38.4
239.17963	2.9
247.20604	2.0
257.19095	5.3
275.20099	66.9
276.20404	2.2
293.21161	85.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2476
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
51.84056	1.6
55.05511	11.8
57.07068	4.1
65.03940	2.5
67.05508	94.7
67.99834	1.6
68.93745	1.8
69.07066	15.0
71.33577	3.6
73.49532	1.7
79.05492	19.7
81.07057	100.0
81.27721	1.8
83.04977	4.3
83.08614	6.0
85.06529	2.9
91.05470	9.4
93.07034	16.4
95.04963	6.4
95.08614	77.6
97.06552	2.5
97.10163	4.3
99.08086	2.6
105.07014	7.4
107.08589	10.6
109.02795	1.8
109.06567	2.4
109.09474	3.3
109.10162	41.0
111.08093	3.5
119.08544	5.6
121.10151	9.5
123.11724	27.4
131.08563	5.6
133.10144	4.9
135.08025	2.5
135.11653	6.8
137.09631	3.1
137.13240	9.0
143.08417	2.2
145.10126	4.9
147.11693	4.5
149.09642	2.5
149.13245	4.7
151.11143	3.9
151.14853	2.1
159.11685	4.3
163.11121	3.0
163.14813	3.3
173.13205	5.5
177.12766	2.8
187.14922	2.6
209.11690	4.5
237.11224	6.8
243.21162	3.9
261.22083	5.5
275.20001	4.5
293.10062	1.9
293.21252	7.8
293.24991	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	293.2114
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
53.03933	5.5
55.01876	19.3
55.05277	2.9
55.05518	46.4
57.03429	5.4
57.07074	13.5
57.36081	2.6
57.94950	2.6
59.04996	2.7
63.49745	2.9
64.27890	2.7
67.05186	4.4
67.05515	65.9
69.03416	12.6
69.06728	3.4
69.07072	31.4
69.70074	13.2
70.85497	2.5
71.04981	12.2
71.08640	14.8
72.83054	3.0
73.09242	2.7
79.05505	50.2
81.03426	32.5
81.07063	54.1
81.26498	3.1
83.05002	15.3
83.08641	17.2
85.06527	8.5
91.05493	41.5
93.07057	45.9
95.04980	69.5
95.08614	54.9
97.06523	12.5
97.10159	15.5
99.08079	10.5
105.07034	34.4
107.04970	22.6
107.08602	33.0
109.06533	20.1
109.10169	19.4
110.67262	2.6
111.04436	7.5
111.08070	3.0
117.07021	14.8
119.08590	34.6
121.06516	15.1
121.10126	22.9
123.08070	12.8
123.11714	3.4
125.09653	21.3
128.06212	4.2
129.06999	8.4
131.08585	19.2
133.06494	4.0
133.10162	25.5
135.08063	20.1
135.11710	8.4
137.09633	16.6
139.11198	7.7
141.07014	4.5
141.09183	4.7
142.07773	4.2
143.08562	15.4
145.10117	20.7
147.08034	4.8
147.11707	11.8
149.09631	16.1
149.13319	6.7
151.11192	100.0
155.08548	5.9
155.10695	4.9
156.09355	6.9
156.59010	2.8
157.10138	10.6
159.11687	12.3
161.09662	6.6
161.13272	4.4
163.03760	2.9
163.11192	8.5
165.12717	6.6
169.10162	6.1
171.08063	39.9
171.11702	26.1
173.13321	5.5
177.12706	13.3
179.08553	3.8
180.09378	4.4
181.04941	4.5
181.10167	7.8
181.12117	3.6
183.08075	3.3
183.11697	4.6
185.13263	8.5
189.11201	4.2
191.10617	4.9
193.10146	3.8
195.08029	4.7
195.11751	4.5
197.09680	13.2
197.13188	5.0
199.14751	4.7
201.12630	3.0
208.08875	9.6
209.09665	10.8
209.11470	3.9
209.13287	4.1
211.11261	4.0
217.10071	3.5
221.13203	4.6
222.10425	3.3
223.11183	20.4
225.12802	4.4
225.14801	3.2
229.19473	5.5
237.10950	5.0
237.13007	6.2
237.14784	6.9
239.17883	4.4
247.14722	3.9
247.20520	6.0
249.12621	4.5
251.14319	5.2
257.19009	7.3
275.20129	53.3
278.16425	4.0
293.18826	61.4
293.21188	71.6
304.37628	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03939	3.8
55.01861	12.5
55.05513	53.7
57.03433	3.0
65.03934	3.3
67.05510	36.1
69.03432	4.0
69.07057	12.8
69.84196	15.4
71.05001	2.9
72.74241	2.6
73.03000	3.0
79.05495	78.8
81.07058	33.7
83.04977	6.6
83.08629	17.5
83.31805	2.6
91.05475	21.2
93.07050	36.1
95.04963	8.1
95.08609	11.1
97.10172	27.3
105.07038	26.3
107.04954	37.3
107.08593	60.6
109.10149	17.3
113.89831	2.6
117.07002	6.9
119.08541	16.8
121.06484	3.3
121.10165	15.1
123.11704	6.0
125.09631	36.1
129.06989	2.7
131.08530	9.9
133.10086	17.5
135.08041	8.3
145.10121	13.1
147.11713	15.4
149.09624	83.9
149.13235	3.2
153.09103	4.3
155.10535	3.3
159.11684	7.9
161.13293	6.1
163.11176	4.1
169.12209	5.9
171.10176	7.4
173.11749	3.6
173.13257	3.2
177.12817	3.2
187.14856	3.0
189.11229	24.4
215.17894	2.9
229.19461	6.3
257.19022	18.7
275.20059	100.0
293.21094	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	293.2112
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03938	0.9
55.01876	1.8
55.05510	5.2
57.03405	0.4
57.07066	1.4
65.03947	0.8
67.05511	7.1
69.03429	0.6
69.07074	13.3
69.92483	1.7
71.04983	1.2
71.08638	1.2
74.59114	0.4
79.05064	0.7
79.05495	7.5
81.03408	2.3
81.07061	6.6
81.75690	0.3
83.04984	2.1
83.08603	1.4
85.06524	0.5
91.05483	5.2
91.55032	0.4
93.07038	5.7
95.04971	17.3
95.08608	3.7
97.06525	1.9
97.10156	1.3
98.21407	0.7
99.08105	1.0
103.30815	0.4
105.07038	3.8
107.04967	5.2
107.08618	2.9
108.05723	1.8
109.06522	3.1
109.10168	1.4
111.04477	0.6
114.78381	0.4
117.07018	1.7
119.08604	2.6
121.06514	7.5
121.10138	2.8
123.08069	1.5
123.11711	0.4
125.09637	0.5
131.08574	2.4
133.10149	2.0
135.08060	4.1
135.11734	0.6
137.09605	0.6
139.11169	1.6
142.70723	0.4
143.08591	0.6
145.10135	1.4
147.08017	0.5
147.11644	0.9
149.09627	1.6
149.13278	0.7
151.11201	2.9
157.10075	0.5
159.11682	1.3
161.09703	0.6
163.11176	0.6
164.11977	1.8
165.12761	1.2
173.13315	0.7
177.12804	2.4
181.05023	0.6
183.11630	0.6
191.10660	0.6
197.13074	0.4
201.12682	0.6
207.13821	1.0
209.11682	0.9
219.13895	0.8
225.14857	0.7
237.11189	1.2
237.14861	6.2
239.17987	0.6
247.20599	0.5
251.19044	0.5
257.18951	0.9
275.20090	8.4
293.21121	100.0
294.21530	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03938	4.7
55.01879	12.1
55.05519	100.0
57.03453	10.6
57.07083	2.3
59.04998	4.0
62.11327	1.8
67.05516	28.6
69.03429	9.0
69.07076	19.9
69.83051	3.2
69.83463	6.2
69.98153	1.7
70.16884	1.6
71.04988	2.3
79.05505	35.6
81.07062	30.0
83.04975	10.7
83.08627	53.3
83.42699	1.6
85.06545	2.9
91.05495	26.0
93.07050	24.9
95.04985	6.9
95.08620	8.9
97.06569	3.4
97.10181	96.7
101.09679	3.6
105.07042	15.1
107.04900	2.7
107.08606	38.8
109.06529	3.4
109.10165	8.5
111.08117	3.8
117.07048	9.2
119.08600	7.7
119.66808	1.7
121.10155	13.1
123.08070	1.9
125.09647	96.4
129.07008	1.7
131.08598	14.0
133.10162	12.0
135.08066	10.9
135.11656	3.7
143.10684	6.2
145.10080	8.3
147.11676	4.4
149.09627	6.8
153.09113	4.7
153.12778	3.1
155.66882	1.6
157.10086	2.2
159.11760	4.5
163.11206	2.9
171.10194	17.7
173.13339	3.4
181.12292	4.4
189.11243	69.6
189.12965	3.4
237.14821	2.2
257.19046	5.0
275.20078	38.0
292.27332	2.0
293.21127	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	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03944	3.1
55.01884	4.5
55.05513	13.0
57.03442	0.9
57.07071	1.5
63.90178	0.8
65.03934	1.2
67.05505	29.6
69.03419	1.4
69.07072	25.8
70.90505	2.4
71.04996	2.3
79.05499	19.9
81.03409	2.9
81.07061	33.3
83.04985	6.4
83.08608	4.3
85.06556	2.5
91.05482	17.0
93.07045	25.1
94.42371	0.9
95.04976	8.4
95.08614	19.6
97.06541	3.4
97.10165	4.5
101.69744	0.8
105.07034	23.2
105.07696	1.7
107.04951	7.8
107.08605	16.3
109.06514	10.3
109.10159	11.1
111.08053	2.5
117.07030	6.3
118.07766	0.8
119.07784	1.7
119.08578	14.3
121.06506	10.3
121.10155	10.6
123.08102	5.3
123.11725	4.2
125.09625	1.4
129.06972	1.9
131.08575	12.1
133.06517	2.4
133.10143	16.0
135.08078	4.6
135.11714	3.6
137.09668	6.0
139.07581	1.0
142.78012	0.9
143.08603	2.1
145.06499	1.8
145.10135	10.7
147.08081	3.5
147.11720	12.1
149.09615	5.4
149.13284	2.2
151.11195	9.2
155.08574	2.3
157.10153	2.1
159.08069	1.8
159.11729	5.6
161.09627	3.2
161.13292	3.2
163.11205	4.7
165.12773	1.0
169.10147	1.5
171.11732	2.0
173.09674	2.9
173.13263	3.9
175.11227	2.7
177.12689	1.3
182.88588	1.0
183.11691	2.8
187.11185	1.2
187.14841	1.2
191.14316	2.5
201.12750	2.8
205.19650	1.1
207.13823	4.6
215.17992	2.0
217.15958	1.0
219.13774	5.2
229.19524	2.0
231.17581	1.0
233.15453	1.1
239.17975	3.1
247.20644	3.7
257.19040	12.8
275.20074	100.0
276.20438	2.2
293.21121	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03933	8.2
55.01883	13.3
55.05512	91.2
57.03422	9.1
57.07079	3.0
59.04991	3.8
66.62009	2.1
67.05505	60.0
67.06047	2.4
69.03426	9.9
69.07072	37.2
70.23086	9.6
71.04977	5.3
79.05493	71.0
81.03413	3.7
81.07063	42.2
83.04986	11.3
83.08616	44.1
85.06506	2.7
91.05487	40.3
93.07045	41.5
95.04966	11.2
95.08611	32.3
97.06520	6.7
97.10172	100.0
101.22915	2.4
105.07036	39.6
107.04933	9.0
107.07880	5.0
107.08597	85.8
109.06521	8.3
109.10156	17.9
111.08083	3.0
117.07023	15.6
119.08595	20.9
121.06491	4.2
121.10143	22.5
123.08025	4.2
123.11701	2.7
125.09636	79.2
129.07005	3.8
131.08566	23.6
131.84171	2.2
133.10132	28.3
135.08038	11.9
135.11693	8.4
137.09604	9.7
139.11171	8.0
143.10655	4.6
145.10127	16.6
147.11716	11.8
149.09615	17.9
151.11212	3.1
153.09096	8.7
153.12730	2.6
157.10072	3.6
159.11681	7.3
161.13286	5.3
163.11209	5.1
171.10161	10.2
171.11603	4.5
173.13232	4.6
177.12712	3.1
181.12276	4.3
183.11787	3.0
189.09619	4.4
189.11227	60.4
203.12828	4.3
223.13138	3.3
239.17970	5.9
257.19070	11.8
270.78088	2.3
275.20093	86.2
293.21164	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
50.60278	3.0
53.03934	11.2
55.01863	15.7
55.05515	84.3
57.03427	10.4
57.07056	7.0
59.29682	3.2
61.36376	3.0
67.05509	81.0
69.03426	11.1
69.07070	63.8
70.11603	9.1
70.12016	7.9
71.04982	9.6
76.51153	3.0
79.05072	6.3
79.05496	89.9
81.03420	19.7
81.07063	82.5
83.04980	13.7
83.08630	37.7
85.06532	4.6
91.05482	66.6
93.07050	68.3
95.04971	69.5
95.08617	67.2
97.06538	23.0
97.10179	33.5
99.08048	5.8
105.07033	50.8
107.04965	15.8
107.08599	87.9
109.06515	17.5
109.10166	36.3
111.08086	7.9
116.84285	3.4
117.07009	18.7
119.08582	43.3
121.06506	11.7
121.10150	36.6
123.08073	14.4
123.11698	6.4
125.09648	27.5
131.08614	20.9
133.10118	34.9
135.08067	22.2
135.11699	10.0
137.09615	36.4
139.11191	15.0
143.08507	3.6
145.10098	23.2
147.11707	20.9
149.09604	28.7
151.11166	27.3
153.08997	3.0
155.10670	10.1
157.10123	5.3
159.11745	18.3
161.13240	4.8
163.11194	13.3
165.12709	4.2
171.11681	7.5
173.13266	12.1
177.12766	7.7
179.10672	5.6
187.11154	5.0
189.11261	16.6
203.12816	8.6
205.06697	4.0
210.14101	3.9
211.14830	3.5
223.13399	7.0
229.19621	5.4
237.14899	10.9
247.20583	9.2
257.19006	11.2
271.30063	3.5
275.20084	100.0
293.21133	99.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	12-OPDA
Peak:m/z	Relative Intensity
52.44355	0.2
52.80798	0.2
53.03939	0.4
55.01882	1.0
55.05516	2.4
57.03433	0.5
57.07079	1.7
65.03942	0.2
67.05505	2.7
69.06786	0.2
69.07076	1.8
69.74152	0.7
69.74565	0.3
70.69405	0.2
71.04987	0.4
71.08633	1.4
79.05498	3.3
81.03403	1.0
81.07058	2.5
83.04975	0.6
83.08608	1.0
85.06556	0.5
89.20150	0.2
91.05489	2.1
92.00880	0.2
93.07050	2.1
95.04974	5.4
95.08609	1.6
97.06522	0.4
97.10167	0.8
99.08077	1.0
105.07047	1.6
107.04962	3.1
107.08604	1.7
108.05750	1.5
109.02873	0.2
109.06524	2.6
109.10168	0.6
111.04440	0.6
115.09253	0.2
117.07030	0.6
119.08569	1.0
121.06511	6.7
121.10137	1.0
122.07304	0.2
123.08102	0.4
125.05988	0.3
125.09633	0.6
131.08553	0.7
133.10112	0.6
135.08054	0.7
135.11694	0.3
135.18977	0.2
139.11226	0.2
145.10106	0.6
147.11661	0.3
147.36197	0.2
149.09619	0.8
149.13274	0.2
151.11186	2.0
153.05544	0.4
159.11716	0.3
163.11191	0.9
164.11975	0.5
165.12752	4.0
177.12724	1.2
181.04988	0.8
189.11237	0.2
191.10664	0.3
191.14352	0.3
195.10159	0.2
209.11641	1.2
219.10219	0.3
223.13284	0.7
224.82433	0.2
236.14053	0.4
237.11221	2.0
237.14902	0.9
254.65292	0.2
275.08969	0.2
275.20059	1.7
293.21115	100.0
294.21445	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
53.03934	0.9
55.01860	2.7
55.05273	1.1
55.05514	13.3
57.03431	0.9
57.07058	2.7
59.04988	2.5
64.85081	0.8
66.01026	0.8
67.05194	1.3
67.05511	19.4
69.03434	6.2
69.07074	9.6
71.04996	4.2
71.50372	1.3
72.43913	0.9
79.05500	12.1
79.21398	0.9
81.03427	1.8
81.06599	1.1
81.07057	21.5
83.04990	9.1
83.08620	6.4
85.06554	5.5
91.05485	8.2
93.06495	1.0
93.07049	17.1
95.04972	17.5
95.08605	14.2
97.06520	3.9
97.10191	4.9
99.08113	1.9
100.41594	0.8
101.06003	2.5
101.08513	0.9
105.07036	11.0
107.04951	2.1
107.08604	14.8
109.06517	7.9
109.10162	13.0
111.08070	4.0
113.06013	1.1
113.09608	1.9
116.53765	0.8
117.07002	3.7
119.04946	0.8
119.08573	9.6
121.06516	10.3
121.10153	23.4
123.03588	1.7
123.04442	28.7
123.08076	5.3
123.11736	4.8
125.05947	1.2
125.09641	7.8
127.07551	2.9
128.60544	1.0
130.33044	0.9
131.08598	6.3
133.10104	8.6
135.04475	1.1
135.08069	11.4
135.11691	4.7
137.05991	4.0
137.09673	4.7
137.13255	1.0
139.07536	2.1
139.11143	3.8
143.08540	2.3
145.10121	5.4
147.08037	1.9
147.11719	6.3
149.05963	2.2
149.09641	9.5
149.13232	3.3
151.07509	1.4
151.11186	8.8
153.09117	5.0
155.08496	1.4
157.10149	2.7
159.08084	1.6
159.11737	5.1
161.09598	3.6
161.13252	1.7
163.11177	3.8
163.14795	2.9
165.09114	2.6
167.10689	3.1
171.11589	1.4
173.09723	1.6
173.13245	6.8
175.11224	2.7
175.14824	1.8
177.09084	1.3
177.12772	2.2
179.10680	16.2
181.12241	2.1
187.11148	2.6
187.14745	4.1
189.11214	1.1
189.12732	2.0
191.14322	5.1
193.12250	2.0
201.12773	1.7
205.12248	1.5
207.13794	1.3
215.17867	1.2
217.15811	1.0
219.13814	4.4
229.19507	1.8
233.15338	2.7
233.19012	1.4
247.20639	1.0
257.18951	4.4
275.20065	37.5
276.20493	1.0
293.21094	100.0
294.21603	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
52.61805	1.1
53.03947	1.9
55.01870	1.9
55.05515	16.2
56.06509	1.0
56.11097	1.2
56.64065	0.9
57.03439	1.5
57.07067	4.1
58.42502	1.1
59.04990	3.1
62.20658	1.0
67.05510	20.2
69.03429	10.0
69.06730	1.4
69.07076	13.6
69.30792	9.8
71.04985	2.7
71.86966	0.9
79.05504	12.6
81.03410	2.1
81.07066	30.4
83.04990	12.4
83.08609	7.6
85.06542	6.7
91.05479	10.7
93.07051	20.6
95.04973	12.2
95.08060	2.0
95.08617	23.1
97.06554	7.8
97.10188	5.1
99.08115	2.3
105.07037	14.1
107.04972	3.0
107.08604	19.7
109.06528	8.4
109.10174	14.0
111.04517	1.4
111.08091	6.5
113.06038	1.2
113.09691	2.0
115.07626	1.6
117.07039	3.7
119.08591	16.3
121.06530	8.3
121.10155	33.2
123.04440	25.3
123.08060	5.3
123.11706	7.0
125.09645	20.7
127.07614	3.4
129.07005	1.3
131.08582	6.2
133.10139	12.1
135.08070	11.0
135.11691	8.4
137.05975	1.4
137.09618	3.9
137.13237	2.3
139.07584	1.3
139.11182	9.2
143.08560	2.7
145.10129	10.6
147.11696	7.6
149.05986	2.5
149.09641	11.0
149.13245	3.7
151.11177	6.1
153.09114	10.1
157.10138	2.9
159.08113	1.5
159.11703	6.9
161.09618	4.4
161.13248	1.8
163.11208	11.3
163.14818	4.4
165.09120	1.4
167.10730	3.3
173.09641	1.3
173.13286	12.9
175.11212	3.9
175.14865	2.4
177.12758	2.5
179.10669	13.5
181.12273	6.7
183.11757	2.5
185.13284	1.8
187.11229	2.2
187.14816	10.5
188.15657	1.3
189.12769	1.6
189.16464	1.5
191.14310	9.4
193.12241	2.5
197.13341	1.2
199.14799	1.1
201.12778	3.8
203.14391	1.2
205.12309	1.8
205.15881	1.5
209.15422	3.9
215.14281	1.5
215.17976	2.6
217.15939	1.7
219.13823	4.5
229.19540	4.4
233.15337	4.1
233.19102	1.5
237.14954	1.5
239.17990	2.1
247.20634	2.5
257.19098	7.5
275.20078	55.3
293.21133	100.0
299.71820	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03949	3.7
53.21553	1.8
55.01880	14.1
55.05518	92.0
57.03436	12.8
59.04984	3.9
63.81453	1.9
67.05511	50.7
69.03428	11.3
69.07074	20.5
70.11864	8.5
71.04977	4.4
79.05073	3.5
79.05501	50.3
81.07059	42.8
83.04986	10.7
83.08157	3.7
83.08622	55.1
85.06532	4.0
91.05489	34.9
91.67995	2.2
92.47186	2.0
93.07053	33.0
95.04963	6.7
95.08615	24.4
97.06536	5.2
97.10178	100.0
105.07034	25.0
107.04964	3.8
107.08596	48.9
109.06511	4.4
109.10165	16.5
111.08064	7.4
117.07037	13.7
119.08578	14.5
121.06529	1.8
121.10156	15.3
123.08069	4.5
125.09641	90.5
129.06967	2.0
130.55093	1.9
131.08575	19.6
133.10121	16.4
135.08115	11.8
135.11673	3.9
137.09593	6.9
143.08511	2.9
143.10660	7.0
145.00539	1.9
145.10153	8.9
147.11702	5.5
149.09590	10.1
151.11211	4.1
153.09091	5.2
153.12694	4.9
157.10081	2.2
159.11696	6.3
161.13239	2.9
163.11171	3.8
169.10078	2.6
171.10176	15.7
171.11580	3.2
173.11787	2.1
173.13283	2.6
181.12202	2.5
183.11754	2.3
187.42555	2.0
189.11237	64.0
197.13286	2.4
201.16344	2.4
239.18056	3.8
257.19022	8.3
275.20102	50.9
293.21109	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
51.12881	1.2
53.03939	2.0
53.18415	1.2
54.53758	1.3
55.01876	1.7
55.05511	11.8
57.03439	1.3
57.07061	4.1
67.05505	18.7
69.03421	4.1
69.07072	12.1
69.90596	1.1
71.04975	2.5
71.51633	2.0
76.64008	1.3
79.05493	9.2
81.03413	1.9
81.07059	21.8
83.04993	9.3
83.08610	2.7
85.06540	4.1
91.05486	8.1
93.07052	15.0
95.04968	15.3
95.08607	13.0
97.06531	1.8
97.10179	3.3
105.07029	11.5
107.04943	2.4
107.08592	14.9
109.06506	5.5
109.10155	9.7
111.08088	3.4
113.09641	2.5
117.07021	3.6
117.13168	1.3
119.08597	8.7
121.06509	10.1
121.10140	21.4
123.04425	25.4
123.08080	4.2
123.11728	6.0
125.09617	6.2
127.07588	2.3
129.07016	1.7
131.08545	6.1
133.10133	9.4
135.08061	9.3
135.11705	3.2
137.06001	1.8
137.09625	4.6
139.07574	1.3
139.11174	2.5
143.08546	1.7
145.10135	5.6
147.08035	1.7
147.11713	5.9
149.09633	9.2
149.13257	4.5
151.11156	4.7
153.09103	7.1
157.10092	1.9
159.08054	1.6
159.11658	4.1
161.09598	2.9
161.13264	1.6
163.11189	4.7
163.14812	2.2
165.09048	2.2
167.10619	3.1
173.09595	1.7
173.13268	5.2
175.11180	1.9
175.14856	2.0
177.09109	2.5
177.12761	3.0
179.10675	14.0
181.12306	1.4
187.11137	1.9
187.14818	2.9
191.14320	5.3
193.12302	1.8
201.12674	1.3
207.13911	1.3
209.11819	2.1
215.18048	1.5
217.15993	1.7
219.13828	3.5
229.19437	2.1
233.15375	1.9
237.11241	2.1
257.19034	3.7
275.20068	42.7
293.21124	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.3
53.05246	0.2
54.52174	0.3
55.01866	0.3
55.05515	1.5
56.05032	0.4
57.03434	0.5
65.03932	0.7
69.03434	9.1
69.07065	0.3
70.06601	2.3
71.01365	1.4
71.04986	1.4
71.50382	0.3
72.08147	1.6
81.03405	0.2
81.07036	0.4
81.56561	0.2
83.04984	5.3
84.04498	0.7
84.08147	2.1
85.02907	1.2
86.09704	1.8
91.04910	0.5
91.05486	9.8
93.07040	0.4
95.05010	0.4
95.08606	0.3
96.94420	0.2
103.05476	0.6
107.04972	0.4
111.04446	4.8
114.10257	0.3
116.07139	0.3
119.04949	22.2
120.08114	0.9
129.04593	0.2
129.05510	1.3
129.10237	0.7
130.05048	0.3
131.04918	0.7
136.07610	0.4
145.10167	0.3
147.04417	100.0
148.04732	0.6
163.03947	0.4
165.05518	0.9
177.05495	0.5
223.01675	0.6
293.05881	0.7
293.10297	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	293.2112
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03932	9.3
55.01865	6.9
55.05313	3.6
55.05516	38.4
56.38184	3.7
57.03447	4.8
62.80098	3.8
64.88390	4.2
67.05181	6.6
67.05511	89.3
67.53656	3.4
69.03427	5.0
69.07069	33.7
70.94082	10.4
71.04998	20.7
79.05499	71.3
81.03405	9.9
81.07060	100.0
83.04984	18.3
83.08638	28.1
85.06536	11.0
91.05482	53.0
93.07050	55.3
95.04966	34.6
95.08613	64.9
97.06548	28.8
97.10178	11.7
98.21131	6.1
99.08099	4.8
105.06396	5.3
105.07038	53.6
107.04982	7.2
107.08614	41.6
109.06530	29.8
109.10155	16.7
111.08067	8.8
113.06020	4.2
117.07012	10.2
119.08589	32.4
121.06507	9.3
121.10138	25.0
123.08077	40.2
123.11669	11.8
125.09647	10.6
129.07001	4.5
131.08627	18.6
133.10149	27.7
135.08035	9.9
135.11667	13.3
137.09650	20.0
139.11234	5.1
145.10133	18.5
147.04362	4.4
147.11707	22.5
149.09628	11.1
149.13295	5.5
151.11189	17.2
154.92935	3.5
157.10167	4.5
159.11697	10.0
161.13255	7.2
163.11172	9.1
165.12741	7.7
171.11703	9.3
173.13303	5.6
207.14014	5.6
249.18674	3.8
257.18912	10.3
275.20090	62.4
293.21140	76.8
293.28171	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	293.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21174	3.7
56.62725	3.6
60.05624	3.7
70.06602	5.7
70.14982	3.4
70.71453	4.3
70.71793	9.0
70.73149	5.9
72.37654	3.5
93.99738	4.0
98.21429	4.7
118.08637	29.8
119.08984	23.1
156.04256	4.7
161.02971	4.0
176.01083	7.5
176.03174	4.1
176.12309	7.3
191.98242	16.4
194.04318	8.3
250.64281	4.4
257.69147	4.0
293.06329	100.0
293.11255	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	292.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60710	0.5
55.01876	1.4
55.05525	1.1
55.55815	0.5
56.05040	1.2
56.96565	1.4
57.03434	1.0
58.06599	2.2
60.04516	0.9
61.01148	0.5
61.02927	1.1
62.42026	0.5
65.03954	0.5
67.05499	0.9
69.03431	2.7
69.07093	0.5
70.06211	0.6
70.06599	11.5
70.16292	1.9
72.08163	64.0
73.02907	1.0
75.09259	2.6
81.03421	1.3
82.06596	0.7
83.06115	2.6
84.04515	1.7
84.08157	6.7
85.02911	5.3
86.01508	0.6
86.09718	2.7
87.10072	0.9
91.05479	6.1
95.06145	0.8
97.02879	2.5
98.06057	0.8
98.97603	0.5
100.07656	0.6
101.00896	2.5
102.00945	1.1
103.00636	0.6
103.02470	0.9
103.51982	0.5
103.91411	0.5
104.02525	1.5
104.05339	0.9
104.35226	0.5
107.04945	1.9
109.02852	0.6
109.35692	0.5
110.07181	1.1
112.07577	0.7
112.11251	7.6
113.00863	0.7
115.00642	0.7
115.02423	0.6
116.07079	1.2
116.98668	0.8
118.08665	7.9
119.01960	3.5
119.04958	21.9
120.01999	1.3
121.01669	0.8
122.51446	0.6
125.02636	1.2
127.03934	1.8
127.08730	2.6
127.14216	0.5
129.10233	2.2
129.13898	6.2
130.08635	1.7
131.01874	2.6
132.02040	1.2
133.01668	0.8
133.03479	2.2
134.03580	2.4
135.03226	1.2
136.07603	2.0
137.02649	0.7
143.01888	1.1
144.02045	0.5
145.03497	1.2
145.05006	0.9
146.16537	1.2
147.04422	100.0
148.04962	1.1
149.02873	0.5
150.03125	0.6
152.03156	0.9
152.04515	0.6
155.01961	0.9
155.11827	1.2
156.02057	0.9
156.05037	0.6
157.03474	1.5
158.03697	1.2
158.08165	0.6
160.01270	0.6
161.03024	1.7
162.03096	1.2
166.02940	0.6
167.03960	0.5
172.04495	0.7
173.03004	2.1
174.03191	1.7
175.09024	0.7
175.11925	2.9
176.04492	0.9
177.02631	0.5
177.04239	0.8
181.03352	0.6
181.51891	0.6
182.03008	0.7
185.02974	0.6
186.03140	0.8
187.04662	0.7
190.02666	2.1
190.98581	0.7
191.02406	0.6
191.04039	0.7
192.02133	0.6
192.03943	1.7
194.05341	1.7
194.07794	1.1
198.06087	0.6
200.07722	0.9
201.02452	1.3
202.02617	2.2
202.04187	0.9
203.04059	0.9
204.10220	54.4
205.10529	0.8
210.02687	1.1
210.04712	7.0
211.04652	1.1
213.02615	0.5
215.04092	1.2
219.03534	1.5
220.03726	1.9
221.05127	1.0
221.12868	10.6
228.05844	1.2
229.05441	0.7
230.02147	0.7
231.03644	0.8
232.03783	1.9
233.05177	0.6
246.04802	0.6
260.03223	0.7
261.54507	0.5
264.06046	1.4
269.12195	0.7
274.04373	0.8
274.09402	0.5
274.12827	0.6
275.17575	25.9
276.17801	0.6
292.05530	1.6
292.12683	1.9
292.20215	29.7
301.04028	0.9
310.06885	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.0967
Annotation	Pareitropone
Peak:m/z	Relative Intensity
55.01870	0.8
55.05516	1.1
57.03440	0.4
58.46157	0.4
67.05491	0.9
69.03419	0.4
69.07075	0.8
70.06583	0.5
71.50274	0.5
77.81388	0.3
79.05512	1.3
80.05807	0.4
81.07055	2.0
82.07401	0.8
85.02917	1.0
88.07647	0.7
91.05476	0.8
92.05822	0.8
93.07046	1.2
94.07409	0.5
95.04987	0.8
95.08634	1.4
96.08936	0.5
96.55746	0.4
97.10198	0.5
105.07041	0.8
106.07371	0.6
107.04964	0.5
107.08614	1.1
108.08964	0.5
109.06532	1.3
110.06876	0.6
111.08089	0.8
112.08450	0.6
119.08602	0.6
120.08933	0.8
122.10474	0.7
131.08574	0.7
132.08900	0.7
133.10153	0.5
134.10443	0.4
135.08069	0.8
136.08418	0.6
139.06601	0.4
145.10170	0.6
146.10490	0.4
151.07562	1.1
152.07878	1.0
174.13524	0.4
176.87906	0.3
190.13107	0.7
195.06802	1.8
198.05489	0.5
203.07288	0.5
207.13795	0.4
208.14081	0.6
219.06786	4.3
220.07594	4.3
223.06285	1.4
229.23476	0.4
230.24002	0.6
231.06781	1.8
232.07521	1.1
234.15683	0.6
236.07071	0.6
247.06284	1.7
248.07086	40.5
249.07776	2.8
259.06351	0.7
259.42761	0.4
260.07089	5.3
263.05789	2.7
274.18912	1.0
275.05942	0.8
276.06570	23.2
277.07361	48.9
278.07773	1.0
291.05316	0.5
291.27167	1.1
292.09695	100.0
292.19888	2.8
292.27539	2.0
293.10031	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	291.2682
Annotation	Geranylgeraniol
Peak:m/z	Relative Intensity
55.05509	27.5
56.05837	5.4
57.07066	12.1
58.62166	2.9
67.05508	36.9
68.05827	6.1
69.07070	41.2
69.17109	30.2
70.07394	4.4
71.04992	21.2
71.08604	5.0
71.66840	2.7
72.05291	6.0
79.05497	18.2
80.17829	2.9
81.07057	89.8
82.07388	13.0
83.08626	22.5
84.08966	3.4
91.05495	16.8
93.07045	48.1
94.07373	13.8
95.08609	100.0
96.08930	11.9
97.06546	3.1
97.10173	11.2
98.21555	5.0
99.08077	8.4
99.49316	2.8
101.16833	3.3
105.07030	23.8
106.07383	8.6
106.19216	3.2
107.04980	4.9
107.08610	44.9
108.08934	17.0
109.09347	5.5
109.10153	73.9
110.10488	15.2
111.08093	3.5
111.10861	4.1
111.11696	4.9
118.88387	3.1
119.08599	22.1
120.08929	13.1
121.09310	6.3
121.10139	38.7
122.10471	11.0
123.08076	3.9
123.10841	5.1
123.11700	46.6
124.12016	5.6
127.11204	20.5
128.11505	8.9
133.10109	18.4
134.10446	10.4
134.88524	3.4
135.10822	4.0
135.11693	27.5
136.11987	7.8
137.12364	5.5
137.13249	15.1
139.11227	3.5
145.09990	3.7
146.10446	4.7
147.08188	4.2
147.11736	14.8
148.12001	7.7
149.09595	4.1
149.13321	31.4
150.13580	13.7
151.13837	6.8
151.14900	7.6
153.12764	3.5
159.11693	3.6
160.12036	4.0
161.13240	9.1
162.13687	3.7
163.14958	14.4
164.15132	6.4
165.15419	4.0
174.13631	3.7
175.14885	7.2
177.16414	4.3
189.16476	7.4
191.17986	8.5
202.16711	4.7
203.18039	17.9
204.18285	13.3
205.18755	22.1
217.19475	6.1
233.46260	2.9
261.95142	3.4
273.18396	7.1
273.25586	40.6
291.19415	5.2
291.26315	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	291.2321
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03949	4.7
54.16343	0.8
55.01867	1.4
55.05275	1.2
55.05516	18.0
57.03440	1.2
57.07072	2.8
59.04998	1.6
65.03938	1.3
67.05510	40.8
67.85284	0.7
69.03427	1.6
69.06726	1.3
69.07072	15.4
71.04977	1.1
73.06560	1.3
73.25910	0.9
77.03945	1.5
79.05501	67.4
81.03400	0.8
81.07063	49.6
83.04987	2.4
83.08631	8.9
85.06553	4.0
91.05489	25.8
93.07051	100.0
94.95230	0.9
95.04962	6.4
95.08617	31.7
97.06536	2.2
97.10149	4.5
99.08089	1.9
105.04507	2.0
105.07050	15.7
106.04176	0.9
107.04968	1.6
107.08604	56.3
109.06511	2.3
109.10162	17.2
111.08093	2.9
115.07589	1.0
117.07013	3.5
119.08589	14.6
121.06523	1.3
121.10155	45.6
123.08085	3.0
123.11713	3.6
125.09631	1.6
129.06985	2.1
131.08609	6.3
133.10143	14.3
135.08072	2.7
135.11700	58.1
137.09630	2.3
143.08588	1.2
145.10149	5.4
147.08054	1.3
147.11688	10.4
149.09660	4.2
149.12057	1.7
149.13271	35.6
151.07515	1.3
151.11177	1.9
157.10138	2.3
159.08130	0.9
159.11729	6.0
161.09666	1.5
161.13266	8.8
163.11176	3.4
163.14825	11.9
165.12756	1.4
171.11708	4.5
173.13295	3.4
175.11212	1.9
175.14856	4.4
177.12804	2.7
179.14375	0.9
181.12244	1.4
185.13286	3.5
189.12775	2.4
195.13818	1.3
199.14963	1.7
207.13736	2.0
209.15379	1.8
213.16457	2.6
215.18040	1.2
217.15901	1.4
217.19450	1.8
221.15419	1.5
231.17458	1.4
231.21060	1.4
235.14758	1.0
235.16986	1.9
241.19576	3.6
249.18568	3.6
259.20560	7.0
273.18463	1.2
291.19800	5.6
291.23203	66.7
292.23584	1.0
296.37411	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1957
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03939	3.6
53.11713	1.7
55.01860	6.1
55.05518	18.2
57.03426	5.9
57.07062	3.5
59.04995	3.5
63.88340	1.6
67.05511	18.9
69.03428	7.6
69.07068	21.1
70.50455	3.5
71.04983	4.0
71.08633	1.6
72.08136	2.3
79.05087	2.1
79.05499	30.3
81.03407	5.2
81.06606	1.9
81.07067	36.5
83.04955	6.4
83.08603	10.6
85.02919	2.1
85.06529	3.5
91.05481	24.1
93.07053	36.3
95.04945	10.6
95.08615	26.1
97.06516	6.7
97.10160	5.9
99.08046	2.0
105.07036	34.4
107.04957	15.4
107.07907	1.7
107.08608	31.4
109.05809	2.9
109.06523	55.5
109.10160	14.3
111.08066	7.4
111.11702	4.4
115.05440	2.6
117.06997	7.0
119.04922	2.0
119.08581	20.5
121.06494	6.2
121.10150	45.6
121.71476	1.8
123.08093	12.3
123.11691	5.0
125.09608	8.6
129.06975	6.5
130.07809	1.6
131.08595	16.4
133.06461	6.8
133.07443	1.9
133.10149	9.3
135.08049	26.1
135.11668	6.1
136.12036	1.7
137.09587	5.3
139.11208	4.1
142.07765	2.1
143.08534	6.3
145.10165	10.4
147.08017	6.7
147.11684	7.4
149.09647	23.4
149.13179	2.1
151.07523	10.8
151.11209	2.3
153.09120	1.8
155.08557	2.2
155.10738	1.7
157.10158	9.0
158.10927	2.0
159.08034	5.4
159.11673	5.1
161.09612	5.7
161.13240	3.6
163.11180	4.6
163.14777	2.5
167.10687	100.0
169.10115	2.1
171.11665	4.8
173.09622	2.3
173.13278	9.2
175.11226	11.6
181.10097	1.7
183.11665	3.1
185.13226	2.6
187.11169	1.9
189.12762	5.6
191.10643	14.5
191.14340	7.0
197.13286	3.9
201.12688	2.1
203.14339	2.2
207.13783	5.0
213.16345	3.1
215.14348	5.9
217.12221	3.2
217.15862	4.5
227.17902	2.1
233.15346	16.5
249.18628	1.8
255.17427	6.9
269.54614	1.6
273.18500	24.0
273.25604	1.9
291.19525	59.1
291.26590	9.5
301.50916	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	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03944	5.1
55.01876	12.9
55.05269	3.7
55.05515	47.1
57.03417	4.2
63.97727	2.1
67.05508	40.0
69.03429	10.7
69.07072	15.4
71.05000	4.5
71.33274	4.7
74.39895	2.7
76.16032	2.6
79.05069	4.6
79.05495	61.5
81.03410	11.3
81.06595	4.1
81.07059	63.3
83.04969	12.2
83.08623	15.1
85.06574	4.4
91.05477	64.5
93.07041	35.9
95.04974	14.6
95.08609	27.6
97.06549	7.5
97.10181	21.3
103.05481	3.3
105.03413	5.7
105.07030	34.4
107.04961	28.2
107.08610	28.4
109.06520	12.5
109.10175	10.5
111.08096	21.9
115.05460	2.6
117.07011	26.7
119.04950	7.0
119.08588	62.9
121.06521	19.0
121.10109	16.1
122.07306	5.1
123.08073	45.8
125.09638	16.4
128.06247	6.0
129.07004	10.9
131.08592	29.4
132.05724	2.9
133.06468	10.0
133.10121	13.7
135.08052	19.1
135.11729	7.3
141.06964	3.0
143.08583	17.7
145.06506	2.8
145.10127	30.9
147.04407	16.3
147.08049	39.3
147.11705	8.1
149.09650	14.9
151.07556	99.9
154.48424	2.5
157.10089	11.7
159.08070	5.6
159.11716	10.6
161.09570	13.0
163.11223	5.0
165.09103	11.0
167.10712	3.1
169.10112	4.9
171.11565	5.3
173.13214	4.4
175.11217	8.6
177.09105	5.0
177.12817	2.9
179.10689	5.6
183.07634	2.7
185.13304	5.7
189.11209	5.7
189.12790	27.0
191.14299	4.1
192.11462	7.0
193.12190	5.4
195.11845	3.0
197.11780	10.8
207.13815	72.4
213.16508	2.9
215.14314	2.8
217.15942	2.6
227.17943	4.6
231.17476	3.8
233.15422	9.4
237.16447	6.1
245.18953	5.8
249.14874	6.4
255.17511	9.7
273.18503	74.0
291.08649	3.2
291.19592	100.0
291.26529	3.8
291.47156	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	291.1957
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
52.03543	0.5
55.01868	1.7
55.05513	8.3
57.03435	1.1
57.07072	2.6
59.05010	2.8
67.05515	6.4
69.03429	2.0
69.07072	3.3
70.68277	1.3
71.04993	3.2
71.31100	0.6
77.03924	0.8
79.05499	9.4
81.03460	0.6
81.07067	9.4
83.04974	2.7
83.08626	8.6
85.02898	0.7
85.06551	2.2
90.31584	0.7
91.05489	7.3
93.07053	14.0
95.04954	5.4
95.08611	17.0
97.06544	4.0
101.99563	0.5
105.07038	12.3
107.04966	10.5
107.08594	9.9
108.05756	1.4
109.06525	8.0
109.10167	3.6
111.04493	0.8
111.08087	41.0
113.09651	1.8
117.07037	1.8
119.08583	9.2
119.35559	0.6
121.06512	2.2
121.10161	7.2
122.07304	2.7
123.08073	35.7
123.11678	1.3
125.09628	2.6
129.07013	1.9
130.07791	0.7
131.08589	5.4
133.06496	4.2
133.10144	8.0
135.08090	5.6
135.11703	3.8
137.09657	3.3
141.05484	1.2
141.07057	0.6
142.07758	0.7
143.08586	2.0
144.09314	0.8
145.10118	5.9
147.08073	3.8
147.11710	5.7
149.09631	6.7
149.13284	1.0
151.07553	100.0
152.07893	0.7
155.08549	0.7
155.10660	1.7
156.09314	1.6
157.10149	3.5
158.10893	1.0
159.08043	2.5
159.11763	1.4
161.09695	3.1
161.13281	1.4
163.11169	3.3
163.14807	1.1
165.09140	1.8
167.10710	0.6
169.12213	0.8
171.11685	3.1
173.09616	1.3
173.13249	5.6
174.10455	1.6
175.11206	4.1
177.09198	3.1
179.10709	5.7
181.12189	2.3
187.14764	0.8
189.12755	27.0
190.13359	0.7
191.10699	1.2
191.14323	9.9
192.11447	4.4
197.11736	14.5
197.13245	1.1
203.14339	0.9
205.12225	1.5
207.13815	65.3
211.13237	1.2
213.16422	1.6
215.14371	2.6
217.12212	3.1
231.17462	1.8
233.15369	25.7
235.13353	2.3
237.16521	0.7
237.96812	0.6
240.60544	0.6
249.18578	0.8
255.17406	2.8
273.18500	6.6
291.19580	43.2
292.20029	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1957
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
50.15871	0.7
53.03952	1.8
55.01873	3.6
55.05523	10.4
57.03429	2.4
57.07087	3.6
59.04987	2.4
67.05511	8.8
67.95573	0.6
69.03437	3.0
69.07080	3.9
69.67423	1.1
69.67834	3.2
71.05003	3.4
79.05492	10.3
81.03415	2.5
81.07064	14.1
81.65495	0.7
83.04973	2.9
83.08618	8.2
85.06555	3.2
90.80998	0.7
91.05488	7.6
93.06487	1.3
93.07052	15.3
95.04980	5.7
95.08614	19.2
95.67574	0.6
97.06528	4.1
97.10171	1.1
97.98495	0.6
98.21410	1.1
105.06392	1.0
105.07047	11.5
107.04965	11.8
107.08598	14.1
108.05743	1.7
109.06522	10.1
109.10162	4.9
111.04479	0.7
111.08087	41.3
113.09671	2.1
117.07021	2.7
119.08588	9.2
121.06499	2.5
121.10148	8.8
122.07288	2.6
123.08076	37.7
123.11755	1.7
125.09650	2.6
129.07025	1.5
131.08585	7.6
133.06485	5.9
133.10143	8.3
135.08069	7.7
135.11691	5.4
137.09634	2.9
137.13243	0.8
142.07761	1.6
143.08557	3.7
145.10143	7.7
147.08040	3.4
147.11728	4.7
149.09612	6.3
149.13309	3.5
151.07552	100.0
153.09019	1.2
155.08472	0.7
155.10695	1.5
156.09334	1.9
157.10129	3.1
158.10916	1.3
159.08054	3.0
159.11702	1.6
160.08914	0.8
161.09608	4.0
161.13301	2.1
163.11198	4.3
163.14874	1.3
165.09102	1.4
167.10704	1.2
169.10162	1.0
171.11659	3.5
173.09627	1.8
173.13313	3.7
174.10475	0.9
175.11157	5.1
177.09120	1.7
179.10684	5.5
181.12267	1.5
183.11664	0.8
187.14867	1.4
189.12762	26.4
191.10669	1.9
191.14279	7.6
192.11461	3.8
197.11725	14.2
197.13280	1.1
201.12677	0.8
205.12238	1.4
207.13812	64.4
213.16476	1.3
215.14337	2.6
217.12268	2.7
217.15820	1.3
231.17531	2.2
233.15405	18.7
235.13315	2.0
237.16339	0.9
245.19049	1.5
246.71066	0.9
249.18506	1.7
255.17455	3.3
273.18518	9.6
291.08820	1.2
291.19577	51.2
291.26389	3.3
292.09625	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.62349	0.9
55.05510	5.4
57.07063	3.2
59.04990	3.0
67.05515	5.3
69.03432	1.3
70.41805	4.7
71.04985	1.6
75.55231	1.1
77.02162	1.1
79.05511	5.7
81.07045	6.0
83.04989	2.3
83.08608	3.4
85.06536	3.0
91.05475	5.8
93.07071	9.7
95.04974	4.8
95.08614	13.5
97.06528	2.7
105.07046	9.3
107.04951	4.4
107.08589	6.2
108.08884	1.2
109.06534	5.4
109.10162	4.7
111.08098	29.0
113.09628	1.6
117.07030	1.9
119.08594	9.0
121.06521	1.9
121.10153	5.1
123.08073	40.4
123.11695	1.2
123.28975	1.2
125.09603	1.9
131.08563	5.8
133.06482	2.7
133.10143	6.7
135.08037	4.4
135.11691	3.2
137.09590	3.0
141.05484	1.6
142.07799	1.5
143.08580	2.6
145.06490	1.2
145.10136	11.1
147.08095	2.7
147.11693	5.1
149.09622	5.4
151.07556	100.0
155.10646	1.3
156.09346	2.8
157.10124	3.8
159.08018	2.3
159.11726	3.6
161.09622	2.8
163.11189	4.0
171.11768	3.1
173.09613	1.2
173.13280	2.9
174.10400	1.8
175.11157	3.7
177.09100	2.4
177.12772	2.2
178.21945	1.1
179.10666	4.3
181.12306	1.5
185.13390	1.5
187.11252	2.1
187.14861	1.2
189.12759	26.3
191.10625	1.1
191.14346	4.2
192.11490	4.7
197.11765	13.2
197.13318	1.4
203.14362	1.5
207.13823	71.0
210.27834	1.2
213.16403	1.3
215.14355	4.6
217.12234	5.2
231.17523	2.1
233.15413	13.0
235.13210	1.5
243.21384	1.1
254.95206	1.1
255.17542	2.3
273.18634	6.0
291.19547	40.5
291.26770	1.2
309.12494	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
54.22344	0.3
54.78646	0.4
55.01876	0.7
55.05519	0.8
57.04562	1.5
65.03946	0.4
67.05521	0.5
68.99797	0.6
70.06596	2.7
71.23132	0.7
72.08164	16.4
74.07204	1.6
74.33724	0.4
81.03439	0.5
83.04988	0.7
84.04531	0.4
84.08156	1.8
85.83530	0.4
86.09697	1.2
89.10800	3.7
91.05489	5.7
93.03398	0.4
95.04976	1.1
95.06089	1.1
97.07656	1.3
98.06038	1.0
100.18486	0.4
105.03405	0.8
107.05003	0.4
109.79699	0.4
111.04462	1.2
112.08754	0.6
113.09074	0.8
114.10307	6.9
115.05471	0.7
115.08701	1.5
119.04955	20.9
123.04443	23.8
127.03914	0.5
128.11856	20.8
128.24062	0.4
129.10237	4.2
130.06532	1.8
131.04958	0.6
132.08195	0.4
139.03918	37.1
143.04947	1.1
145.14508	1.1
146.06023	0.6
147.04425	100.0
148.03690	0.7
148.04765	0.6
151.03923	0.7
159.09219	1.4
160.07619	1.1
161.05980	2.9
163.03914	0.8
165.05478	5.3
169.04976	0.7
170.06036	0.4
179.07164	0.8
180.06302	1.1
185.07103	0.7
188.07071	0.5
189.05489	0.6
207.06564	2.8
207.85286	0.4
217.13385	7.4
218.11777	7.4
227.08046	0.7
235.14404	4.9
245.09247	1.1
260.13974	3.8
273.07510	0.5
274.15543	5.8
291.08957	2.3
291.18173	49.4
292.18384	0.4
314.13632	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94692	0.3
55.05509	0.4
58.06606	0.6
61.01153	17.2
61.18055	0.3
69.03451	0.3
69.84070	0.8
69.84486	0.6
70.06591	1.6
72.04528	1.8
72.08165	2.9
81.03402	0.3
82.35318	0.3
84.04504	1.2
84.08147	88.3
85.08472	0.4
86.06049	0.3
86.09717	1.8
91.05475	0.4
107.38428	0.3
110.07193	0.4
112.11298	0.3
114.10313	0.4
114.19079	0.3
118.06577	0.4
119.04963	0.8
120.08084	0.5
123.04433	0.6
128.11868	0.8
129.10248	0.9
130.06546	1.8
132.06691	2.3
132.08432	100.0
133.08771	0.5
139.03993	0.3
141.13863	0.4
142.06586	0.3
147.04416	4.4
159.09225	1.6
169.13297	0.5
170.06027	1.0
184.07623	0.5
185.07129	0.9
188.07077	0.9
198.11272	1.1
215.13933	1.4
218.11865	0.4
227.08163	1.1
243.17101	0.4
245.09299	1.5
246.11700	0.8
291.17429	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	291.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07888	0.4
53.03940	0.8
55.01868	1.0
55.05510	2.6
57.07058	0.4
67.05504	3.0
69.03432	9.0
69.07053	1.1
69.35662	2.7
79.05497	2.8
81.07069	4.6
83.08575	0.5
83.14853	0.4
91.05469	3.0
93.07076	2.5
95.04947	0.9
95.08617	6.1
98.20792	0.7
105.04502	0.4
105.07041	4.0
107.04967	2.0
107.08582	2.0
109.06516	0.7
109.10167	0.9
111.08075	0.8
115.05495	1.0
117.07004	1.6
119.08594	2.0
121.06501	3.7
121.10126	0.9
123.08099	0.4
128.06203	1.2
129.07018	0.7
131.08549	1.7
133.06493	1.4
133.10118	3.8
135.08081	2.2
141.06969	1.2
142.07835	0.7
143.08533	2.1
145.06436	0.5
145.10132	1.4
147.08049	0.7
149.09641	1.1
151.07552	0.6
153.07030	1.0
154.07782	0.7
155.08592	2.0
156.09273	0.4
157.10155	0.9
159.08086	0.6
159.11740	0.5
161.09642	1.0
162.75780	0.4
165.06969	1.0
166.07739	0.5
167.08560	1.6
167.63721	0.5
168.09390	1.3
169.10118	4.2
171.08055	23.3
178.07808	1.6
179.08557	4.3
180.09323	1.3
181.06401	0.6
181.10091	1.2
182.07254	1.7
183.08081	0.7
183.11726	3.5
185.09569	1.3
189.06674	0.4
190.07777	0.6
191.08534	2.1
192.09448	1.9
193.10146	4.5
194.07330	1.4
194.10913	0.5
195.08095	2.8
195.11690	1.6
196.08971	0.7
197.09641	8.5
199.11188	0.9
202.07831	1.1
203.08524	1.0
204.09366	0.6
205.10123	1.7
206.10912	1.4
207.08073	1.5
207.11710	6.7
207.13625	0.6
208.08817	4.0
208.12331	0.6
209.09662	5.8
209.13206	0.6
211.11171	3.3
215.08568	1.7
216.09262	1.3
217.10085	1.6
218.10809	0.9
219.08099	2.6
219.11667	2.4
220.08867	3.3
220.12469	0.8
221.09636	14.6
221.13019	2.0
222.10454	2.5
222.13985	2.9
223.11235	4.2
223.14799	1.3
228.09416	0.5
229.10155	2.1
230.10785	1.2
231.08070	0.6
231.11610	2.1
232.08795	2.9
233.09645	4.1
233.13239	1.7
234.10356	5.1
234.14020	1.0
235.11176	15.8
235.14700	2.0
236.11877	1.8
237.12737	0.6
243.11630	1.4
244.12474	1.5
245.13287	0.9
246.10414	1.8
247.11206	10.8
247.14922	1.1
248.11925	6.7
249.12732	9.6
249.15495	0.6
249.16483	0.8
250.13408	0.7
257.13159	0.5
258.14090	1.2
259.14590	0.4
260.11984	0.6
261.09113	0.5
261.09570	0.5
261.12802	7.9
262.13547	9.2
263.14273	3.9
263.18039	2.2
273.16415	3.9
273.18808	0.6
275.14340	0.6
276.11826	0.6
276.15088	12.3
277.15445	0.6
291.17407	100.0
292.17740	1.6
310.96078	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01880	4.3
55.05508	5.4
57.03441	6.1
59.04995	2.3
61.02928	4.0
67.05511	6.8
69.03435	2.6
69.07070	35.8
69.39218	2.4
69.39657	2.7
70.06562	0.7
71.04987	1.6
72.08152	1.7
77.03922	1.5
79.05498	18.8
80.78901	0.6
81.03416	1.6
81.07059	8.0
83.04990	1.7
83.08627	2.5
84.08141	1.2
85.02920	1.3
85.06551	3.9
87.08103	1.8
89.03912	8.9
91.05473	6.2
93.07038	3.9
93.53701	0.6
95.04971	2.3
95.08613	6.2
97.06535	87.5
97.10150	1.3
99.04463	0.9
103.05463	1.7
105.03396	1.4
105.07022	3.7
107.04959	5.8
107.08582	3.4
109.06521	4.4
109.10167	3.0
111.08094	4.4
115.05463	1.2
117.03383	9.4
117.07018	2.7
119.04930	1.2
119.08562	4.1
120.72004	0.7
121.06546	1.3
121.10152	1.7
123.08070	1.6
123.11737	1.2
128.06248	0.9
129.06979	1.6
129.09126	2.8
129.10121	0.8
130.06522	0.7
131.04974	1.4
131.08611	3.2
133.02867	5.6
133.06496	1.0
133.10179	0.9
135.04434	11.7
135.08066	3.5
141.06964	1.9
143.08530	1.4
145.02856	8.4
145.06490	1.1
145.10103	1.6
147.04379	3.2
147.08081	1.5
147.11684	1.3
149.09633	2.6
157.06555	1.4
157.10109	1.9
159.04422	10.8
159.08060	1.6
159.11656	1.4
161.02345	33.5
161.09628	2.4
163.03909	56.1
163.11125	0.8
171.07866	0.7
171.11674	0.9
173.02350	72.5
173.13322	0.9
175.14915	0.8
177.12889	0.7
185.05899	3.2
185.13318	0.8
186.03154	2.1
187.03888	1.6
187.07559	2.0
189.12735	0.9
191.03387	2.5
207.13713	1.0
215.07034	100.0
216.07588	1.2
217.04909	0.8
217.15756	0.9
233.08092	2.3
237.16273	0.9
239.61935	0.8
241.08624	8.3
259.09613	7.4
273.11264	2.3
273.18475	4.4
273.25131	1.4
291.09238	1.3
291.12271	5.6
291.19543	9.5
291.26572	1.5
291.77435	0.7
292.09665	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0976
Annotation	N-Malonyltryptophan
Peak:m/z	Relative Intensity
56.23933	1.1
70.83222	1.6
70.83562	1.8
79.50387	1.0
87.00839	1.4
88.03967	2.4
115.05452	5.1
117.05759	2.6
118.06534	14.3
130.06531	100.0
130.89362	1.0
132.07085	2.0
132.08089	38.6
142.06499	13.0
143.07292	1.7
144.08090	7.5
146.06010	18.9
156.02878	1.2
156.08089	3.4
157.07651	5.4
158.06024	2.2
158.08385	4.9
159.09184	89.2
160.07574	8.1
160.09528	1.4
167.06046	4.0
169.07602	4.1
170.06017	35.3
172.07549	1.6
181.07535	2.3
182.06006	1.7
183.09183	8.1
184.07576	14.4
184.28224	1.0
185.07115	42.4
187.08675	4.4
188.07072	41.2
199.08734	2.4
200.07104	9.3
201.10272	14.4
205.09737	1.4
209.07207	1.6
227.08167	47.2
229.09760	3.2
231.07570	2.6
245.09219	75.5
246.09489	1.8
255.07648	4.0
273.08740	7.4
277.84769	1.4
291.09940	1.2
311.23169	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0865
Annotation	(-)-Epicatechin
Peak:m/z	Relative Intensity
51.02374	0.9
52.63132	0.4
53.61377	0.5
55.01864	2.0
55.05506	0.9
65.03924	1.3
66.97797	0.4
67.05502	1.9
68.99795	2.4
69.03423	0.6
70.06598	3.6
70.66828	1.3
71.01353	0.6
71.03363	0.5
72.08158	6.2
74.07210	0.7
77.03922	0.9
79.52263	0.4
83.04971	1.4
84.08145	2.2
86.09697	1.2
89.10783	1.7
91.05487	3.7
93.03386	0.9
95.04974	2.8
95.06091	0.5
105.03398	0.6
107.04967	0.6
111.00826	0.5
111.04455	3.8
112.08786	0.5
113.09006	0.5
114.10309	2.4
115.05462	1.6
115.08649	0.5
119.04951	13.1
120.08106	0.6
123.04436	66.9
127.03923	1.8
128.11839	5.9
129.10271	1.4
130.06548	1.5
132.08150	0.6
133.06468	1.2
135.04396	0.6
137.02341	1.0
137.06001	0.9
139.03911	100.0
140.04221	0.8
143.04906	2.7
146.05968	0.5
147.04419	52.8
149.05966	0.4
151.03909	2.4
153.05463	0.7
159.04402	0.8
161.05989	7.5
163.03897	2.1
165.05490	14.3
169.04984	1.3
177.05501	1.2
177.06857	0.6
179.07091	2.7
181.04944	0.5
185.07063	0.5
186.72704	0.5
188.07059	0.8
189.05551	1.8
207.06540	5.9
217.13364	3.4
218.11826	3.0
227.08226	0.5
235.14436	1.2
245.09247	0.8
249.07747	1.4
260.13940	1.3
272.15060	0.4
273.07684	1.1
274.15591	1.6
291.08658	5.9
291.14661	0.9
291.18134	15.1
296.18951	0.4
306.30270	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54712	0.3
55.05507	0.6
56.05042	10.8
57.07081	8.1
58.06605	6.1
60.04518	1.4
63.24948	0.3
68.05022	0.5
69.07063	0.4
71.08632	3.5
71.49557	0.3
71.49900	0.4
74.05669	0.5
74.06087	10.3
75.86320	0.3
85.10179	1.5
85.58036	0.4
86.06092	1.6
88.07638	37.4
90.05601	0.3
90.51742	0.3
95.26975	0.3
98.21423	0.4
100.07611	0.4
104.07098	0.7
118.07809	0.3
118.08656	6.7
122.07353	0.3
122.08147	6.3
127.50886	0.3
132.00362	0.5
132.45700	0.3
169.14186	0.3
181.01062	0.3
242.24809	42.0
243.25131	0.4
272.25845	2.7
285.03973	0.3
289.92157	0.6
290.26913	100.0
291.27295	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	291.0847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.0
55.05507	4.6
55.59665	2.0
56.05025	2.3
56.96567	44.5
57.03444	4.1
58.99868	6.8
60.04524	3.4
61.21722	2.1
69.03436	4.1
69.07072	3.3
69.67418	2.4
70.06599	44.3
70.98109	3.1
70.99860	3.8
71.06941	2.7
71.48842	4.1
72.08163	23.8
73.02939	3.1
74.06089	4.2
77.00935	3.3
77.17698	2.3
81.03412	2.8
82.99853	3.7
84.04507	7.8
84.08150	29.2
84.96024	7.3
85.01420	37.3
85.02898	8.8
86.09695	18.8
87.10043	6.8
88.03973	4.7
94.61083	2.2
95.08602	2.6
97.02889	3.4
98.06038	2.5
98.97114	2.3
98.97600	22.5
100.99155	2.8
101.00896	23.2
102.36102	2.1
103.00646	3.8
103.02453	100.0
105.02173	3.6
107.04942	2.7
110.07152	4.6
110.97582	10.9
112.07644	5.5
113.00869	25.0
115.00636	3.2
115.02442	10.3
115.08674	4.7
116.07100	5.9
116.98631	11.5
118.08669	3.6
118.98325	2.2
119.01934	35.0
119.04960	4.9
120.08121	8.1
121.01711	12.0
121.03499	42.1
124.99139	9.0
127.02362	3.3
128.98610	8.0
129.00337	11.2
129.04010	20.3
129.10237	7.4
130.08620	3.5
131.01920	71.9
132.01950	2.7
133.01665	7.0
133.03488	26.7
133.09761	2.7
135.03209	5.6
136.99403	3.0
137.02924	3.0
139.02475	4.8
139.33878	2.4
143.00185	10.7
143.01917	10.7
144.98042	3.2
145.01665	5.9
145.03484	15.3
145.07138	5.7
146.99643	7.1
147.01392	33.6
147.03194	5.1
147.05156	28.1
149.01195	2.9
149.02937	14.9
149.04761	2.3
151.04530	5.3
155.01883	20.4
157.03482	63.9
157.13379	2.8
158.13731	6.6
158.99690	5.2
159.05144	3.8
161.01263	12.5
161.02954	19.4
162.99216	4.7
163.02759	4.0
163.08167	10.0
165.06076	6.4
167.01936	4.3
170.99657	4.1
171.01443	3.2
172.97581	3.4
173.02989	63.5
173.06709	3.8
174.99103	7.3
175.00780	4.0
175.02924	3.5
175.04559	30.2
175.08154	23.8
177.00719	4.1
179.02275	3.6
183.01437	8.1
185.01350	4.0
185.02934	21.0
186.99194	5.0
187.04478	2.6
189.00697	8.7
189.02466	6.0
189.06186	2.4
190.98672	10.4
191.02354	2.6
191.04054	5.1
191.07654	19.0
193.00175	8.2
193.01985	8.9
193.03680	3.3
193.09262	5.1
201.02443	44.5
203.02245	4.4
203.04066	12.7
204.10240	7.1
205.00214	6.2
205.03883	3.2
207.05432	2.5
208.99725	9.9
211.01021	6.6
217.00177	2.9
219.01747	4.8
219.03543	36.3
221.05006	4.8
223.01257	4.4
224.03867	3.2
227.00429	7.4
229.01944	47.1
229.04016	4.2
229.09261	9.9
231.01697	3.0
231.03572	6.2
245.01485	4.5
247.02957	6.2
249.02747	6.9
254.99843	5.6
268.06631	3.0
273.00851	22.0
273.08218	8.7
291.01450	11.5
291.08521	26.3
291.12711	6.7
291.16611	5.5
309.05057	2.5
309.08542	8.8
312.74561	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1754
Annotation	Mesembrine
Peak:m/z	Relative Intensity
53.03935	0.5
55.05510	1.8
55.65872	0.4
56.05040	6.3
56.96559	0.5
57.03419	0.5
57.07078	5.9
58.06604	3.6
60.04515	1.3
65.03941	1.8
67.05185	0.6
67.05516	8.9
69.07073	4.9
70.06597	1.1
71.04976	0.5
71.08203	0.8
71.08620	3.1
74.06090	6.1
79.05502	3.0
81.07077	3.0
82.06584	2.4
83.04998	1.2
83.08620	1.2
85.06535	0.5
85.10178	0.8
86.06050	0.9
88.07639	23.2
90.68118	0.6
91.05479	1.4
92.05843	0.6
93.03424	3.1
93.07063	3.9
95.08619	3.0
96.08971	0.6
97.06527	2.0
105.07034	1.6
106.07373	0.5
107.08578	3.8
108.08933	0.9
109.10116	1.1
110.06051	26.1
111.04450	10.5
111.08044	0.8
111.59417	0.5
117.07020	1.2
118.08663	4.4
119.08541	0.5
121.10146	0.9
122.08158	2.9
123.04445	1.9
124.12067	0.5
131.08572	0.8
133.10138	1.9
135.08047	0.5
135.11684	3.5
137.06065	0.9
138.05513	100.0
145.06468	1.2
145.10152	0.9
146.06839	0.5
149.05984	0.5
157.06558	0.5
158.33623	0.5
159.08032	0.5
163.07550	2.0
168.13892	0.5
175.07564	0.9
226.11182	2.0
228.23250	1.6
230.16287	0.7
242.24802	24.6
244.12247	1.1
255.13873	0.7
272.17221	0.6
272.25949	0.9
273.14957	0.9
290.08102	0.6
290.17725	5.2
290.26932	57.5
291.19687	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2528
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
53.03954	2.1
55.05267	2.1
55.05516	20.9
56.11915	1.0
57.03444	1.9
57.03721	1.1
57.07082	7.2
61.77825	0.9
67.05508	32.9
69.03430	1.9
69.07068	25.5
69.34767	8.2
70.06596	2.3
71.04992	3.4
71.08642	2.6
79.05502	18.6
81.07062	83.8
83.04978	3.8
83.08627	12.1
85.06534	3.9
88.07618	3.9
88.28576	1.0
89.09152	1.0
91.05493	14.0
93.07052	46.6
95.04975	2.7
95.08613	80.0
97.06519	7.3
97.10164	10.4
99.08112	1.3
105.07034	28.4
106.08689	1.8
107.07878	2.4
107.08602	49.3
109.06520	4.2
109.10162	57.3
111.08089	5.0
111.11726	3.8
117.07037	2.6
119.08591	28.3
121.06557	1.4
121.10150	43.1
123.08087	6.3
123.11716	31.2
124.73821	1.2
125.09678	5.4
126.37216	1.3
127.11207	1.3
131.08592	6.2
133.10139	17.1
135.08054	2.9
135.11702	26.5
137.09647	3.3
137.13283	11.4
139.11156	5.5
143.71336	1.1
145.10112	10.2
147.11693	17.5
149.09631	2.5
149.13268	37.0
151.11198	2.8
151.14854	5.3
157.10155	1.2
159.11705	11.6
161.13261	22.1
163.11189	1.9
163.14839	19.8
165.12784	7.4
173.13287	10.7
175.14827	17.5
177.16412	7.0
179.14320	4.4
187.14832	5.4
189.16362	9.2
191.17932	3.1
193.15994	3.4
201.16405	8.8
203.18031	4.1
205.19324	1.4
207.17505	2.7
215.18001	9.1
217.19565	2.3
219.17499	2.1
229.19595	3.6
231.21086	17.9
233.19064	2.6
242.24803	1.3
243.21162	1.3
268.31277	1.0
268.81943	1.2
271.21283	2.3
271.24228	36.6
289.25287	100.0
289.29239	17.3
290.26584	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.9
55.77596	0.8
56.05043	6.9
58.06597	2.4
58.88699	0.8
59.57413	0.7
60.04525	10.3
61.83591	0.7
69.07068	5.6
70.02939	1.3
70.06595	8.5
70.26189	1.6
70.26578	1.6
72.08146	4.4
74.06088	18.9
75.05602	5.5
81.07071	1.0
84.04503	5.9
84.08144	4.3
86.06075	2.1
86.09714	100.0
87.05613	4.8
87.10027	1.2
95.06097	1.0
101.07152	8.7
102.05542	3.0
111.44996	0.8
112.08739	1.5
113.07156	0.9
120.06600	5.4
120.08038	1.2
126.09145	1.1
128.10674	4.9
129.10225	1.7
130.04988	1.0
133.59883	0.8
136.06145	1.3
142.12277	4.5
143.11804	34.1
159.07649	1.6
171.11311	6.1
173.12874	38.9
174.55135	0.9
177.08737	3.2
187.14427	52.2
189.12370	2.9
201.12329	8.1
215.13893	10.5
272.15771	3.0
290.14825	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	289.2525
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
53.32906	3.0
55.05509	27.5
57.07061	11.2
59.04990	5.0
67.05506	32.5
69.03423	3.3
69.07073	33.6
71.03963	2.7
71.50906	4.7
75.61401	3.3
77.45908	3.1
78.57351	2.7
78.60353	2.9
79.05511	17.6
81.07064	100.0
83.04978	4.4
83.08622	18.3
85.06540	4.9
91.05480	16.1
93.07053	51.5
95.04965	6.2
95.08617	82.8
97.06515	5.1
97.10155	13.7
99.08105	4.1
105.07037	42.1
107.08598	57.6
109.06516	7.1
109.10168	61.3
111.08114	6.7
111.11726	6.6
117.07010	5.1
119.08580	47.0
121.10148	55.1
123.08088	5.0
123.11710	37.8
125.09632	10.8
129.96896	3.2
131.08557	9.0
133.10138	28.4
134.36668	3.3
135.11713	32.8
137.09680	3.2
137.13268	7.4
139.11139	4.6
145.10170	19.8
147.11684	29.7
149.09642	4.2
149.13263	48.3
159.11679	16.6
161.13312	31.7
163.14806	22.6
165.12692	6.0
173.13278	10.5
175.14871	22.5
177.16396	5.2
179.14319	7.6
187.14865	9.2
189.16396	11.0
191.17978	6.6
193.15810	4.0
201.16418	12.6
203.17976	4.3
205.19650	3.7
207.17413	4.8
215.17976	13.2
219.17390	3.7
229.19624	7.1
231.13708	3.5
231.21156	23.2
233.18977	3.2
271.24225	49.8
289.18030	10.8
289.22061	4.6
289.25266	96.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2529
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03939	3.1
55.01868	2.8
55.05270	2.4
55.05516	24.3
57.03430	3.3
57.07074	9.9
59.04980	2.1
65.03947	2.7
67.05512	36.1
69.03430	2.8
69.07074	30.4
70.06593	2.9
70.96185	2.5
70.96496	2.1
71.04990	2.5
71.08607	1.6
78.86163	1.6
79.05499	22.7
81.03426	3.2
81.07063	93.5
83.04970	4.5
83.08618	16.3
83.97220	1.8
85.06541	6.7
88.07639	7.5
91.05491	25.4
93.06487	2.8
93.07048	50.5
95.04971	4.8
95.08613	82.3
97.06520	7.1
97.10173	10.8
97.70498	1.6
105.07036	39.5
107.04975	2.6
107.08591	53.8
109.06516	8.0
109.10160	55.5
111.08083	7.1
111.11729	3.4
117.07028	6.0
118.32468	1.6
118.74970	1.5
119.08583	35.5
121.06499	4.4
121.10153	41.8
123.08076	6.7
123.11722	27.1
124.45841	1.4
125.09651	5.4
127.03861	2.3
129.06967	2.0
131.04926	1.9
131.08582	11.5
131.49487	1.7
133.10139	24.5
135.08060	4.3
135.11711	25.3
137.09612	3.5
137.13272	10.2
138.05522	3.8
139.11183	5.4
141.15703	1.9
143.08543	3.4
145.06522	2.4
145.10132	14.1
147.08023	3.0
147.11707	20.4
149.09676	2.4
149.13266	37.5
151.11168	4.8
151.14809	3.9
157.10138	5.6
159.08067	2.2
159.11676	14.4
160.05266	2.6
161.09616	1.6
161.13257	23.4
163.07500	3.6
163.11221	3.2
163.14854	20.8
165.12753	5.8
169.10214	1.9
171.11681	2.3
173.09636	2.4
173.13312	10.2
175.14864	17.3
177.16290	4.2
179.14326	3.3
185.13350	2.4
187.14827	8.5
188.12027	1.7
189.16388	11.5
191.17908	3.2
193.15886	3.2
201.16386	12.7
203.17932	7.0
205.15930	2.7
207.17461	3.2
211.14870	2.7
215.17941	11.8
217.19592	4.5
219.11615	1.9
219.17578	2.8
229.01947	2.1
229.15791	3.8
229.19426	3.1
231.21115	17.2
233.18982	2.0
242.24750	3.7
247.16939	6.9
271.16827	3.0
271.24216	36.4
289.14377	10.7
289.18140	14.7
289.21820	5.3
289.25262	100.0
289.29230	26.2
290.26978	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	289.2527
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
53.03951	3.3
55.05519	20.6
57.07077	7.1
67.05506	30.6
69.03416	3.1
69.07069	25.3
71.04976	4.5
71.51354	4.4
79.05500	23.4
81.07059	86.8
83.08630	15.9
85.06556	6.2
91.05486	18.1
93.07045	48.0
95.04960	4.3
95.08613	69.5
97.06558	6.4
97.10175	10.6
105.07037	34.7
106.08747	2.8
107.08591	46.4
109.06509	9.8
109.10161	57.5
109.10854	5.5
111.08076	6.2
117.07013	7.5
119.08591	33.9
121.06542	4.2
121.10152	43.5
123.11703	26.9
125.09675	4.4
127.11192	3.3
130.18579	3.0
131.08582	11.9
133.10146	21.1
135.08023	4.3
135.11688	27.8
137.09637	4.1
137.13266	8.7
139.11154	3.0
145.06593	3.1
145.10141	12.5
147.11700	23.5
149.09595	3.6
149.13271	46.4
157.10214	2.8
158.11012	2.6
159.11700	15.7
161.13278	24.1
163.11264	4.7
163.14835	22.1
165.12772	5.1
171.11589	3.4
173.13268	10.9
175.11200	3.6
175.14806	21.2
177.16393	6.7
179.14285	3.8
182.10703	2.7
187.14793	8.5
189.16422	11.7
191.14511	3.6
191.18004	3.9
193.15956	3.7
201.16377	15.4
203.18015	3.6
205.15826	3.2
215.17972	16.9
217.19606	4.5
219.17502	3.3
229.19511	4.1
231.13910	3.2
231.21098	24.5
271.24255	48.3
289.18198	21.5
289.21881	3.8
289.25272	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2526
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
53.03942	2.8
55.05517	21.7
55.06083	1.6
57.03441	1.8
57.07075	5.1
59.05001	2.6
67.05510	27.9
69.07075	21.7
71.04981	3.4
73.06560	1.8
79.05502	19.0
81.07063	78.1
83.08620	12.2
85.06540	4.9
90.65134	1.7
91.05482	21.6
93.06484	3.1
93.07048	45.4
95.04994	2.9
95.08613	70.4
97.06531	6.8
97.10174	8.8
99.08071	2.1
105.07037	35.5
107.08606	52.0
109.06524	4.2
109.10166	53.3
111.08083	7.9
111.11701	5.4
117.07017	5.0
119.08589	35.1
121.10149	40.6
123.08008	2.9
123.11704	27.8
125.09615	4.8
131.08594	9.3
133.10129	23.2
135.08090	1.9
135.11697	22.9
137.09573	3.1
137.13239	6.9
139.11179	3.3
143.08551	2.0
145.10101	14.7
147.08034	3.0
147.11699	25.4
149.13272	48.2
150.13536	1.7
151.11157	3.4
151.14784	2.8
159.11687	12.8
161.13268	31.0
163.14830	26.2
165.12805	7.7
171.11739	2.4
173.13272	12.5
175.14845	20.3
177.16318	8.6
179.14316	5.4
187.14894	10.0
189.16342	11.6
191.18024	3.4
193.15887	4.3
201.16409	11.4
203.17981	3.7
205.16037	2.5
205.94275	1.7
207.17516	3.4
207.44698	1.9
215.17998	12.5
217.19618	3.0
219.17479	5.1
229.19478	2.3
231.21071	18.5
243.21059	3.1
245.22893	2.0
258.50385	2.3
271.21259	1.6
271.24210	63.2
289.18234	5.4
289.21646	20.3
289.25256	100.0
290.25635	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	289.2527
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
51.85779	1.8
53.03948	3.1
55.05270	2.6
55.05513	27.4
57.03432	2.2
57.07064	8.5
57.75344	1.6
59.00050	1.9
59.05000	3.0
64.71314	1.9
67.05182	2.7
67.05508	35.0
69.03437	1.6
69.07066	29.7
69.71873	10.2
71.04979	3.7
71.08614	5.3
74.45770	1.7
79.05499	24.7
81.07059	92.6
82.19746	1.7
83.04969	3.6
83.08624	16.3
85.06524	5.2
91.05473	16.3
93.07047	50.4
95.04957	4.1
95.08611	74.1
97.06520	6.2
97.10165	12.0
105.06403	3.3
105.07042	37.3
107.08599	59.5
109.06523	6.1
109.10162	59.0
111.08062	6.1
111.11702	3.2
117.06987	5.2
118.55830	1.8
119.07812	2.9
119.08589	39.8
120.71997	1.7
121.09332	3.4
121.10146	44.6
123.08065	5.3
123.11713	31.5
125.09660	4.3
131.08591	11.9
133.10127	24.2
135.08147	2.1
135.11713	30.8
137.09641	3.3
137.13239	10.2
139.11148	8.1
143.08533	2.9
145.10143	17.7
147.11682	23.9
149.13271	49.1
151.11136	2.2
151.14818	3.7
157.10191	2.3
159.11702	18.7
161.13246	29.5
163.11191	2.0
163.14827	25.1
165.12755	9.7
169.87611	1.8
171.11719	1.7
173.13284	13.6
175.14835	20.8
177.16373	6.8
179.14261	5.4
187.14839	6.3
189.16368	10.1
191.17976	3.3
193.15909	2.3
201.16403	14.0
203.17921	7.1
207.17429	3.4
215.17934	15.8
217.19571	4.0
219.17493	4.2
229.19536	3.6
231.21103	31.9
271.24243	51.3
283.33237	2.5
289.18121	5.3
289.21686	7.2
289.25238	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2525
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03941	2.9
55.01871	2.6
55.05280	1.7
55.05516	21.2
57.03437	4.6
57.07057	7.7
59.04986	7.9
61.54638	1.7
66.19833	1.7
67.05506	31.3
69.07072	25.6
71.04987	2.6
71.08614	2.4
79.05489	15.7
81.07060	82.0
83.04965	1.9
83.08624	11.7
85.06549	13.6
91.05499	16.9
93.07049	42.3
95.04948	2.2
95.08617	61.1
96.61695	1.7
97.06517	7.6
97.10186	10.9
98.20709	3.9
99.08090	3.2
105.07041	34.9
107.08598	54.1
109.06494	5.3
109.10155	47.5
111.08082	7.1
111.11710	3.1
117.07008	4.4
119.08585	30.3
121.06503	2.8
121.10149	35.5
123.08040	3.4
123.11713	31.6
125.09601	7.2
128.06136	2.2
131.08574	11.4
133.06502	2.9
133.10143	26.3
135.08026	3.8
135.11699	26.6
137.13242	7.5
139.11162	5.9
143.08569	3.9
145.10149	12.9
147.08057	2.3
147.11703	19.6
149.09688	3.0
149.13261	40.0
151.11176	4.2
155.08670	1.8
157.10109	5.5
159.11685	17.1
161.13272	31.9
163.14830	20.6
165.12720	5.4
169.10104	2.1
171.11745	1.8
173.13283	12.6
175.14861	16.8
177.12721	2.0
177.16359	8.0
179.14336	3.8
183.11693	4.7
187.14822	7.7
189.16388	12.6
191.17918	4.0
193.15894	2.9
197.13249	2.1
201.16425	13.5
203.18047	3.5
207.17296	2.8
215.17981	16.7
217.19534	4.2
219.17418	4.0
228.93312	1.8
229.19498	5.8
231.21072	15.9
233.19003	2.0
245.56966	2.0
271.20926	2.6
271.24222	52.8
272.24524	2.0
289.14676	4.0
289.18213	5.2
289.21692	10.1
289.25244	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2527
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
53.03934	3.2
53.68835	1.2
55.05277	2.0
55.05514	22.9
57.03419	2.9
57.07081	7.5
59.05003	3.7
65.03938	1.5
67.05180	2.2
67.05505	32.0
69.03416	1.9
69.06732	1.9
69.07069	24.3
69.44175	11.0
71.04989	3.7
71.08639	2.0
78.10106	1.4
79.05495	19.7
81.07064	86.1
83.04967	3.6
83.08617	17.2
85.06546	8.9
91.05483	19.1
93.07050	48.8
95.04971	2.7
95.08614	77.2
96.69112	1.2
97.06545	6.9
97.10175	14.0
99.08072	4.4
105.07035	38.0
107.07874	2.9
107.08598	56.1
109.06510	5.0
109.10166	51.0
111.08056	6.5
111.11737	2.4
117.07016	3.3
119.08591	37.5
121.06570	2.0
121.10145	48.0
123.08047	4.3
123.11710	29.8
125.09652	7.2
129.06935	1.7
129.70161	1.5
131.08607	9.2
133.06302	1.4
133.10149	27.8
135.08046	2.2
135.11705	29.1
137.09624	2.2
137.13235	9.1
139.11157	6.4
143.08527	3.5
145.10110	14.7
147.11693	23.3
149.13260	44.5
151.11168	4.3
151.14778	2.6
153.12733	2.4
157.10118	2.3
159.11711	17.1
161.13268	26.1
163.14821	23.4
165.12781	8.4
169.10103	2.0
173.13278	12.7
173.15656	1.5
175.14844	17.7
175.16339	2.2
177.16405	7.7
179.14273	3.6
183.11798	1.9
187.14822	6.1
189.16400	11.3
191.17897	5.4
193.15839	2.0
197.12991	1.4
201.16391	14.7
203.17984	4.3
207.17392	2.4
215.17989	12.7
217.19489	3.1
219.17416	3.1
229.19510	3.9
231.21106	24.4
233.18964	1.7
243.21126	2.3
249.65227	2.2
271.21255	2.9
271.24240	54.4
280.01437	1.5
289.21637	13.6
289.25229	100.0
290.25565	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2528
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
53.33311	2.1
55.05518	20.4
57.07073	5.4
67.05244	2.1
67.05514	25.6
69.07074	24.9
69.22484	5.3
69.22885	17.2
70.49104	2.1
71.04977	3.8
79.05495	16.0
81.07066	77.9
83.08618	16.1
85.06555	5.4
85.46952	2.9
91.05501	17.0
93.06494	2.7
93.07048	42.5
95.04988	2.3
95.08616	67.8
97.06531	7.6
97.10178	9.8
99.08099	2.9
105.07040	22.5
106.08671	2.3
106.31345	2.2
107.08611	44.9
109.06520	7.4
109.10173	48.0
111.08103	4.6
111.11683	4.3
117.07022	2.5
119.08579	31.3
121.06509	7.5
121.10155	40.2
123.08080	4.8
123.11739	28.6
125.09627	5.1
131.08575	7.0
133.10149	20.3
135.08049	3.6
135.11713	26.3
137.13286	5.6
139.11214	4.3
145.10149	13.7
147.11707	17.9
149.09610	2.8
149.13278	33.5
151.11176	3.1
159.11719	16.7
161.13297	23.9
163.14865	19.3
165.12788	3.2
173.13283	9.5
175.14870	15.9
177.16399	7.9
179.14308	2.5
187.14832	8.6
189.16425	9.1
201.16423	12.0
203.18031	9.0
203.79097	2.5
207.17450	4.3
215.17871	13.4
217.19582	6.3
219.17480	3.8
229.19482	5.6
231.14087	2.8
231.21082	12.7
233.11667	3.5
243.21013	3.2
247.16937	5.1
271.24228	52.4
289.18179	14.6
289.25287	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2526
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
55.05321	2.4
55.05518	26.2
57.07059	8.8
59.04998	6.0
60.11983	2.3
65.63348	2.7
67.05508	30.5
69.07072	30.6
69.29885	17.2
69.30295	5.7
71.04990	24.5
71.08643	4.1
79.05496	21.6
81.07065	96.8
83.08632	13.9
85.06534	8.4
88.81210	2.6
91.05471	26.2
93.07049	59.2
95.04960	3.9
95.07993	3.3
95.08610	66.8
97.10178	11.6
99.08104	8.3
105.07037	48.7
105.77692	2.7
107.08602	76.7
109.06503	4.3
109.10168	71.3
111.11710	6.5
113.09676	3.4
117.07025	7.6
119.08591	57.1
121.09322	5.0
121.10152	58.5
123.11725	25.5
125.09637	8.8
127.11192	28.3
130.07765	3.1
131.08572	15.7
133.10132	38.7
135.11693	31.3
137.13261	5.4
141.12807	3.7
144.09306	2.7
145.10120	20.3
147.11693	45.4
149.13269	60.7
151.14789	4.8
153.12775	4.0
153.15988	2.5
159.08159	2.4
159.11711	22.9
161.13309	28.4
163.14851	24.9
165.12779	5.0
173.13254	23.0
174.62340	2.8
175.14865	18.4
177.16385	4.7
179.14328	5.9
187.14818	25.1
189.16377	7.9
191.17952	12.4
201.16435	12.9
203.17972	100.0
215.17949	10.7
217.19513	7.6
219.17470	4.3
229.19464	4.2
231.21107	5.2
271.24216	51.2
289.18094	9.0
289.21957	4.1
289.25247	94.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2526
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
55.05511	25.7
57.07063	8.3
62.69548	2.8
67.05515	26.9
69.07075	37.7
69.65005	2.7
70.13634	5.5
70.94761	3.1
71.04996	27.3
77.65052	3.0
79.05495	20.8
81.07066	76.5
83.08625	13.2
91.05467	18.4
93.07051	64.1
95.08608	70.1
95.09179	5.3
97.10181	9.1
99.08099	7.6
105.07037	47.5
107.08598	71.8
109.10164	66.8
111.11743	5.2
113.09604	3.8
119.08585	44.3
121.10145	61.9
123.11736	22.9
125.13232	3.8
127.11192	27.3
131.08583	9.4
133.10130	32.1
135.11687	33.2
145.10144	21.1
147.11691	49.5
149.13263	71.5
149.14398	6.1
153.12897	3.1
159.11714	18.7
161.13283	29.1
163.14845	24.9
173.13243	19.8
175.14769	18.1
177.16377	8.0
179.14378	6.8
187.14824	24.8
189.16403	9.9
191.17947	12.8
193.15796	3.3
201.16397	12.5
203.17972	100.0
215.17981	18.5
217.19594	8.5
219.17433	4.3
264.21396	3.1
271.24249	53.9
289.25296	93.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2527
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
54.36157	2.0
55.05521	23.3
57.07090	2.8
66.04115	2.3
67.05516	30.3
68.14038	2.1
69.07073	24.1
69.48157	16.0
69.48528	2.3
71.04992	3.0
71.93421	2.2
78.67858	2.1
79.05488	17.0
80.16054	2.3
81.06596	4.9
81.07066	77.3
83.08638	11.3
90.56874	2.1
91.05491	15.9
93.07058	41.8
95.08620	74.6
97.06528	3.9
97.10186	9.9
105.07040	29.8
107.08607	47.5
109.06525	2.4
109.10172	50.2
111.08080	5.3
111.11729	3.6
111.68672	2.3
117.07027	3.1
119.08598	32.3
121.10149	39.2
123.08057	5.0
123.11703	31.0
125.09682	5.3
131.08565	4.6
133.10139	17.7
135.11700	25.1
137.13277	6.3
139.11278	4.2
145.10155	13.0
147.11705	17.3
149.13271	45.9
151.11205	4.8
151.14856	4.5
159.11681	16.4
161.13251	26.9
163.14827	23.2
165.12790	8.2
173.13290	9.2
175.14832	21.8
177.16400	7.3
179.14276	5.5
187.14876	6.0
189.16400	9.8
191.16408	2.1
191.17937	5.1
193.15862	4.3
201.16431	12.7
203.17972	5.4
215.17969	8.7
217.19591	5.4
219.17564	3.7
229.19539	5.0
231.21136	23.9
239.42696	2.1
271.24261	53.0
289.25284	100.0
290.25500	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	289.253
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
53.03947	2.4
55.01877	1.4
55.05515	19.7
56.05038	1.0
57.03436	2.6
57.07085	7.9
67.05509	33.3
69.03442	2.1
69.07076	26.4
69.72874	1.5
69.73282	3.6
70.06602	2.2
71.04991	3.1
71.08628	2.5
79.05498	19.7
81.07063	82.4
83.04980	2.4
83.08623	11.2
85.06551	3.1
85.10195	1.4
88.07633	6.5
89.07979	1.5
91.05487	12.5
93.07051	45.8
93.07642	2.2
95.04977	3.4
95.08613	78.6
97.06539	6.9
97.10187	10.7
97.12719	1.1
98.20834	1.6
98.21388	2.1
99.08076	1.5
103.05493	1.1
105.04524	1.2
105.07038	28.0
106.08678	2.1
107.08601	49.7
109.06541	5.3
109.10167	52.2
111.08080	5.0
111.11751	3.2
113.09690	1.2
117.07053	2.2
119.08585	28.3
121.06523	1.1
121.10153	40.6
123.08099	5.7
123.11715	29.8
125.09658	4.3
127.11266	1.2
131.08577	6.9
133.10150	20.5
135.08057	3.1
135.11710	23.9
137.09605	2.2
137.13263	8.6
138.86101	1.0
138.87163	1.1
139.11176	3.9
143.08556	1.7
145.10153	9.4
147.11700	20.8
149.09694	1.9
149.13269	33.2
151.11241	3.3
151.14857	3.2
153.12740	2.0
157.10187	1.6
159.11702	13.7
161.13255	20.2
163.11232	1.0
163.14827	20.9
165.12814	5.6
167.14275	1.1
173.13281	7.6
175.14827	18.6
177.16441	4.2
179.14288	5.4
187.14854	4.2
189.16406	10.4
191.17966	4.0
193.15927	3.2
193.19667	1.3
201.16386	9.0
203.17992	4.6
205.15869	2.3
207.17542	1.3
215.17964	9.9
217.19518	2.7
219.17419	2.4
229.19557	3.7
231.21098	16.9
233.19037	2.3
242.24803	4.0
243.21199	1.3
245.22673	1.2
271.21271	1.8
271.24228	32.8
271.28561	1.4
289.18274	4.0
289.25296	100.0
289.29239	18.8
290.26953	9.0
311.00790	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2526
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
55.05510	16.1
57.07063	8.0
62.27712	2.7
64.58769	2.5
67.05505	25.7
69.07079	25.9
71.05019	4.8
71.26098	6.0
79.05492	14.1
81.07059	81.4
83.04982	5.5
83.08601	11.1
83.58819	3.0
84.91962	2.5
88.07629	3.8
88.88756	2.3
91.05501	12.5
91.27448	2.9
93.07046	51.6
95.04952	3.3
95.08618	73.9
96.91148	2.7
97.06529	7.9
97.10155	10.4
105.07047	32.2
107.08601	64.1
109.06514	5.4
109.10160	59.0
111.08068	5.7
111.11752	5.3
119.08576	31.3
121.09326	4.3
121.10148	48.8
123.08067	5.6
123.11716	30.4
125.09595	6.4
127.11176	4.1
131.08571	10.5
133.10159	18.4
135.11694	27.5
137.09534	3.1
137.13271	6.0
139.11136	6.8
145.10103	10.7
147.11710	22.5
149.13278	49.9
159.11722	17.7
161.13260	28.2
163.14839	21.8
164.15240	2.5
165.12773	5.6
167.28325	2.8
168.76662	2.5
173.13251	12.5
175.14877	20.4
177.16367	7.1
179.14291	4.2
187.14830	11.0
189.16357	10.4
191.17961	5.6
193.15860	4.1
201.16415	10.4
203.17981	15.7
215.17924	13.4
217.19534	4.5
219.17499	4.7
228.23251	4.3
229.19504	4.6
231.21082	20.8
233.18997	3.1
243.21141	5.6
271.24216	50.7
289.18359	2.9
289.25262	100.0
290.26880	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2163
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
50.51870	1.1
51.02396	1.5
52.77626	1.0
53.03939	3.3
55.01851	2.0
55.05275	2.0
55.05515	24.6
57.07063	1.2
59.04994	3.2
62.03707	1.1
65.03923	2.5
67.05509	29.8
69.03439	1.3
69.07071	16.7
69.48295	7.3
71.04988	1.6
73.06526	2.0
79.05497	38.5
81.06597	2.3
81.07057	38.0
83.04971	3.3
83.08616	10.8
85.06522	4.9
91.05486	88.4
91.37357	1.0
93.06494	1.7
93.07052	29.8
95.04974	4.0
95.08612	26.4
96.08913	1.2
97.06518	3.5
97.10162	4.8
99.08092	1.7
103.05456	3.3
105.07034	83.5
106.06576	1.2
107.08605	17.0
109.06523	1.7
109.10164	10.4
111.04356	1.1
111.08130	1.4
115.05515	1.8
117.07033	19.5
118.68107	1.1
119.08587	74.1
121.06519	1.4
121.10154	15.6
123.11707	2.3
125.09645	5.5
129.06999	4.5
131.08572	31.4
133.06508	1.5
133.10139	53.1
135.08051	3.2
135.11710	6.8
137.09599	2.1
142.07762	2.2
143.08559	3.6
145.10136	26.4
147.08067	1.8
147.11696	33.8
149.09616	2.9
149.13272	3.8
151.11122	1.5
155.08548	2.8
157.10080	6.2
159.08066	1.5
159.11714	19.2
161.09610	3.7
161.13258	15.4
163.07457	1.2
163.11154	2.5
169.10100	2.7
171.11717	6.7
173.13287	10.1
175.11203	3.0
175.14835	3.8
177.12775	1.5
177.97343	1.3
183.11673	4.4
185.13300	1.7
187.14824	2.0
193.12195	1.7
197.13306	3.8
201.12640	1.8
209.15237	1.5
211.14841	4.1
213.16498	1.6
215.17958	3.4
229.15871	2.1
239.17952	8.8
247.16876	1.5
254.24292	1.2
257.19022	17.2
271.24274	2.3
289.06110	3.9
289.14709	3.3
289.18179	7.4
289.21634	100.0
289.25024	5.7
290.21368	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	289.1646
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
53.17762	3.1
55.01879	20.8
55.05501	13.3
66.78015	3.4
67.05514	21.5
69.03417	13.5
69.07065	20.8
69.49047	10.0
69.49467	15.4
70.06588	7.0
71.04997	16.8
72.08146	10.6
79.05508	26.7
81.03413	4.6
81.07061	48.2
83.04991	21.4
83.08623	11.7
84.08153	9.2
85.02908	4.6
85.06542	7.7
86.09718	5.3
91.05450	17.8
93.07053	63.7
95.04971	18.8
95.08611	48.5
97.06545	40.9
97.56964	3.9
99.04458	31.7
105.06477	4.1
105.07047	36.8
107.04945	6.1
107.08593	36.3
109.06535	35.4
109.10164	8.9
111.04439	4.4
111.08089	25.7
113.06003	6.9
119.08611	25.3
121.06514	84.2
121.10134	8.1
123.04456	6.0
123.08006	4.8
123.11691	10.7
125.05975	11.5
126.89372	3.8
127.03898	11.1
127.07574	13.2
129.06996	4.5
129.10316	3.6
131.08571	9.2
133.06520	5.1
133.10152	23.6
135.08064	13.9
137.06017	6.2
139.07571	24.4
143.07060	7.3
143.08504	7.7
145.10182	10.6
147.08066	9.5
147.11716	51.8
149.09610	5.1
151.11203	7.3
157.08614	12.2
157.10143	15.5
159.06543	12.2
161.13242	13.2
165.12766	15.0
169.12248	20.7
171.11694	19.1
173.09679	7.9
175.11174	35.0
189.12744	29.3
193.12271	31.8
199.11223	23.1
207.13792	17.4
211.13295	34.4
217.12250	100.0
229.14323	11.2
231.13742	7.4
235.13303	91.5
253.14378	41.1
289.06024	4.9
289.18005	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	289.1648
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
55.01873	7.7
55.05513	17.8
56.05046	3.8
57.03427	4.2
67.05510	24.9
69.03430	4.7
69.07078	21.4
70.06574	8.5
70.13188	9.0
71.05003	20.4
72.08163	7.8
79.05503	32.2
81.07062	60.5
83.04991	23.0
83.08627	13.0
84.08147	7.6
85.02908	6.9
85.06549	12.5
91.05502	32.3
93.07053	68.3
95.04950	16.7
95.08615	44.0
97.02871	7.1
97.06539	36.2
98.05991	3.6
98.21479	3.3
99.04481	22.4
103.05421	3.8
104.05302	4.0
105.07041	49.9
107.04954	5.4
107.08611	35.8
109.06512	36.8
109.10172	12.2
111.08102	24.6
113.05998	4.2
117.07008	5.9
119.08585	34.3
121.05672	6.0
121.06515	90.1
121.10162	13.5
123.04355	7.2
123.08060	15.7
123.11721	13.4
125.06014	18.9
127.07582	8.0
128.06236	4.0
129.06973	6.0
131.08560	9.0
133.06516	6.5
133.10149	27.6
135.04430	5.1
135.08070	22.5
136.06212	3.2
137.05988	8.5
137.09668	5.0
139.07553	22.4
142.07764	8.1
143.07048	9.7
143.08566	13.2
145.06395	3.5
145.10141	12.2
146.06367	5.9
147.08061	8.6
147.11696	47.5
149.06000	10.6
149.09647	8.2
149.13312	4.5
151.11171	8.1
155.08565	3.8
157.08653	8.5
157.10138	19.4
159.06531	15.4
159.07954	7.9
159.11708	8.4
160.08861	4.4
161.09608	4.0
161.13272	11.1
165.12767	16.6
169.10150	3.3
169.12256	18.7
171.11745	16.7
173.09615	7.2
173.13293	6.6
175.11171	30.5
175.14900	4.3
176.16940	3.5
181.10133	5.1
187.11217	4.1
189.12759	32.5
193.12268	39.4
199.11223	26.8
207.13789	19.9
211.13297	32.3
217.12256	100.0
229.14343	10.0
231.13858	6.7
235.13306	83.9
246.06799	4.1
253.14282	36.9
261.09210	4.8
271.16864	11.8
271.20187	3.5
289.05984	7.8
289.08807	8.4
289.14941	5.7
289.18008	47.7
289.20941	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	289.0707
Annotation	naringenin dibenzoylmethane tautomer
Peak:m/z	Relative Intensity
53.03953	0.5
55.01873	1.4
55.05518	1.2
60.05680	0.5
65.03943	1.7
67.01874	7.3
68.99795	7.6
69.03427	1.8
69.07043	0.6
70.06590	2.3
70.66895	1.0
70.67261	1.0
72.08169	3.2
73.08486	1.0
77.69097	0.5
78.36205	0.5
79.01854	0.5
79.05495	2.1
81.03429	1.5
83.01340	0.9
84.04517	1.1
84.08147	4.1
86.09705	2.3
91.05479	2.2
95.04980	1.7
95.06102	1.0
97.02879	1.1
98.97572	0.4
103.05447	0.8
105.04531	0.7
107.04964	58.2
108.05333	0.8
111.00809	0.8
111.04443	3.5
112.08729	1.4
113.09127	0.5
115.05460	0.8
117.03380	0.8
119.04948	2.4
119.08519	0.5
120.08138	1.1
121.02882	8.6
123.04443	1.5
125.02370	1.0
127.03927	16.6
129.01845	1.6
129.10234	1.9
130.06538	0.5
131.04926	0.8
135.04434	7.1
137.02312	0.7
137.06007	0.6
139.03925	2.4
141.06985	3.0
144.10193	0.9
145.02852	1.4
145.06502	1.5
146.03241	0.9
147.04391	1.2
147.08090	1.0
149.02356	52.2
153.01842	100.0
159.04378	0.6
159.08034	0.8
163.03920	1.9
167.03418	9.3
169.06502	5.2
171.02902	12.2
171.04268	0.4
173.05963	0.9
177.05542	1.3
178.05817	1.7
183.02873	0.5
187.03970	0.7
187.07512	1.3
195.02898	5.5
197.05981	4.8
201.05350	0.8
215.07042	44.3
225.05508	0.8
235.24702	0.6
242.05777	1.9
243.06551	38.3
271.06021	10.5
289.07086	7.4
289.20691	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.3
55.01888	0.3
55.05522	0.3
59.85065	0.2
67.05516	0.4
69.03428	5.2
69.03768	0.4
69.07072	0.6
69.31230	1.1
69.31654	0.9
79.05499	1.3
81.07063	2.4
82.51128	0.3
83.08651	0.5
91.05482	1.5
93.07054	1.6
95.08616	1.3
97.06538	0.4
98.21553	0.5
105.07048	1.7
107.08563	1.3
109.10161	1.1
119.08586	0.8
121.06519	0.8
121.10171	0.7
123.11739	0.5
129.07074	0.5
131.08562	1.1
132.88603	0.2
133.06525	0.7
133.10173	0.4
135.11699	0.7
141.07022	0.4
142.07880	0.2
143.08594	0.5
145.06511	0.4
145.10147	0.4
147.08060	0.3
147.11792	0.2
149.13203	0.5
154.07784	0.3
155.08554	0.7
159.08054	0.3
161.13266	0.4
165.07008	0.9
166.07851	0.4
167.08588	0.7
169.10153	1.2
171.08093	1.4
171.09381	0.2
178.07823	0.4
179.08595	1.7
180.09363	0.3
181.10124	1.0
182.07263	0.8
183.08104	0.4
189.16505	0.2
190.07803	0.4
191.08623	1.3
192.09364	0.5
193.10172	0.9
194.07347	0.5
194.10687	0.4
195.08037	1.2
195.11716	0.3
197.09642	2.8
202.07782	0.6
203.08540	1.4
203.17947	0.2
204.09315	1.6
205.10117	3.5
206.10873	1.4
207.11700	1.1
208.12346	0.4
209.09650	1.0
215.08524	1.2
216.09251	1.4
217.10114	3.6
218.10962	1.0
219.08139	0.6
219.11670	2.7
220.12469	3.0
221.09715	1.0
221.13194	0.9
227.08539	0.6
228.09302	0.8
229.10196	1.6
230.11009	0.8
231.08101	2.2
231.11687	5.6
231.20941	0.4
232.08846	3.8
232.12401	2.2
233.09682	1.6
233.13261	1.4
234.10428	0.5
235.11218	0.6
239.08603	0.3
241.10101	3.2
242.10867	1.2
243.11757	2.1
244.08885	3.4
244.11588	0.3
244.12236	0.3
245.09628	26.6
245.13155	1.4
246.10370	4.6
246.14093	2.6
247.11201	7.7
247.14836	0.7
247.62563	0.3
248.11880	0.5
255.11671	1.0
256.12476	3.9
257.13266	2.4
258.10367	1.3
259.11194	22.5
260.11951	8.4
261.12723	3.7
261.16324	2.4
271.14847	4.2
271.24414	0.5
272.12018	0.5
273.12714	2.6
274.13525	48.1
275.13861	1.0
287.14185	0.3
289.15863	100.0
290.16144	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2535
Annotation	Prosopinine
Peak:m/z	Relative Intensity
53.98686	0.7
54.80278	0.8
55.05517	21.2
56.05016	1.4
57.07072	2.0
67.05228	0.8
67.05514	8.5
69.03390	0.9
69.07071	20.6
69.58994	0.8
70.62532	2.3
71.04998	1.0
79.05483	3.3
81.07066	13.5
83.05007	1.1
83.08621	11.3
85.06551	1.1
91.05497	1.6
93.07043	5.6
95.08615	14.2
97.06539	1.7
97.10173	7.4
105.07014	1.4
107.08620	3.6
109.10177	4.3
111.08076	1.1
111.11712	1.5
119.08580	1.3
121.10154	2.9
123.11683	1.9
123.90829	0.8
133.10094	2.2
135.11707	2.6
139.11278	1.1
139.67358	0.8
141.89067	0.9
147.11717	1.4
149.13196	0.9
149.68692	0.8
161.13249	1.0
233.99542	0.7
243.17413	0.8
252.20650	1.5
252.23250	25.0
270.24298	100.0
271.24548	1.6
288.25363	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	289.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77332	0.8
55.01894	0.7
58.99883	1.9
60.05645	3.6
68.98313	1.0
70.06596	13.4
70.99871	3.6
71.06934	4.3
71.48676	1.3
72.08159	3.1
77.00938	0.9
79.97861	0.9
82.99841	12.0
84.04514	1.5
84.08150	3.9
86.09704	5.1
86.99335	1.8
87.10046	2.1
87.29935	0.9
91.02515	0.9
97.01414	5.4
101.00891	84.2
102.00996	1.2
103.02467	1.7
108.08244	0.8
112.08788	1.2
113.00877	11.6
115.02441	24.2
116.07101	2.0
117.04024	1.9
117.07477	1.1
119.01933	100.0
120.02055	1.5
121.01682	1.2
126.98779	3.2
127.02453	2.3
129.00362	1.2
129.03992	6.7
129.10248	1.7
130.05034	1.1
131.01921	20.9
133.03482	37.6
137.02971	9.2
141.00394	0.8
143.01921	25.7
144.99864	2.8
145.03502	8.2
147.01422	2.4
147.05040	4.3
149.02948	4.1
151.04532	7.2
153.00316	0.8
154.84227	0.8
155.01915	3.5
156.99847	0.8
157.03473	4.1
158.06581	1.0
158.09306	0.7
159.01405	3.5
159.05037	1.2
160.09715	1.0
161.02972	55.7
163.04539	3.2
168.99846	11.0
169.03540	1.9
171.01427	15.0
172.99448	0.9
173.02969	14.5
173.04369	1.4
174.99510	0.8
175.00894	4.4
175.04578	2.7
175.11899	4.0
176.07677	1.7
176.12326	1.8
177.02530	2.2
179.04024	3.6
180.99777	1.8
183.01158	1.0
183.05016	1.1
184.04697	1.0
185.03004	3.8
187.00900	26.3
187.04536	7.9
189.02463	14.6
191.04024	8.7
196.99295	5.9
199.00911	19.5
199.02774	1.7
199.04485	3.9
201.02481	5.5
203.00447	1.5
203.04030	2.5
205.01942	11.2
205.05597	1.2
207.01860	1.1
207.03531	3.9
211.04573	1.1
215.00381	26.1
216.00642	1.0
217.01973	28.4
217.03993	1.7
217.05403	1.2
219.03578	10.5
221.01746	2.6
221.05139	2.2
228.99948	1.3
229.01987	13.5
229.05603	1.8
231.03571	3.2
233.01489	3.2
235.03139	2.6
245.01495	1.8
247.02997	25.4
257.01511	5.8
259.03055	3.1
263.02603	1.0
265.04123	6.1
267.10046	0.9
272.18054	1.8
275.02582	1.8
277.04135	5.0
279.14215	0.8
288.20566	1.5
289.04074	10.0
289.07809	10.1
289.16486	0.9
289.17050	1.1
289.20630	12.0
307.05115	5.6
307.08813	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.192
Annotation	Leu-Val-Gly
Peak:m/z	Relative Intensity
55.05517	10.8
56.05020	0.7
57.05823	0.8
60.04532	2.0
60.05636	1.0
63.56538	0.7
64.50261	0.6
68.05006	0.7
69.07084	0.7
69.88857	3.1
70.06595	7.5
72.08159	100.0
83.06112	0.7
84.08149	2.8
86.09710	57.7
87.62580	0.6
89.03915	3.1
95.06099	13.5
98.06062	0.8
107.04962	1.2
110.33676	0.6
112.08736	27.5
117.03391	11.3
117.04173	1.1
118.08662	3.5
121.02903	1.2
122.03229	0.8
129.10248	29.1
132.10219	14.5
134.03632	1.0
135.04477	1.0
138.06622	1.7
143.11801	33.8
145.02858	32.8
149.06021	4.1
153.01836	2.1
154.02223	1.6
157.09732	13.5
157.10925	1.0
157.13342	1.4
171.11308	6.5
175.11964	1.9
177.05473	47.6
189.12350	10.6
270.12408	0.7
271.17624	0.9
288.05847	29.4
288.13324	11.4
288.20276	6.1
308.92227	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85334	0.4
68.05025	1.0
70.06622	0.6
70.93799	1.1
72.08136	0.5
83.06099	2.3
89.03928	5.9
91.05471	0.4
95.06099	38.8
97.28892	0.4
103.05486	0.4
112.08739	100.0
113.09116	0.6
113.10287	0.4
117.03391	24.4
134.03673	1.3
135.04434	0.6
138.06644	5.0
145.02859	56.4
146.03333	0.5
149.05992	6.5
175.11974	0.4
177.05486	73.3
178.05804	1.2
207.46437	0.4
260.36688	0.4
270.12375	1.8
288.06070	2.5
288.13428	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	288.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
53.73681	0.7
55.01878	1.1
55.05511	3.9
55.93532	0.9
56.05051	1.5
56.96556	0.9
56.97301	0.8
60.04530	2.2
60.05375	0.9
60.05655	11.5
60.08174	1.2
67.05492	2.8
68.05034	2.8
69.03423	3.4
69.07064	4.9
69.84205	4.2
70.02951	1.2
70.06597	50.7
71.04996	2.0
71.06911	0.9
71.55042	0.7
72.08159	33.9
72.93795	1.0
74.06087	0.9
79.05497	17.1
81.07063	39.1
82.06600	1.4
83.04977	1.2
84.04515	7.9
84.08146	14.8
85.02898	2.2
86.09711	43.4
88.04005	0.9
91.05503	3.8
93.07058	2.2
94.06609	1.1
95.04996	1.4
95.06093	5.2
96.04446	0.9
96.08105	0.9
97.06538	1.3
97.07667	1.5
98.06055	2.8
98.21435	1.0
99.04463	3.8
102.05571	1.1
103.05465	3.4
104.02568	0.9
107.04987	1.2
108.08154	0.9
109.06528	17.1
110.06055	1.3
110.07153	1.7
110.09693	7.2
111.04492	0.9
112.03956	1.2
112.07603	1.2
112.08020	1.0
112.08723	9.1
113.07915	1.0
114.01009	0.7
115.03934	8.7
115.08687	2.7
116.07088	6.8
120.08112	25.2
123.04445	3.2
126.09175	1.8
127.03928	11.1
127.07544	4.7
129.10263	4.5
130.05006	12.5
130.08710	1.6
130.09767	2.4
132.02060	0.9
132.10167	0.9
138.02708	0.8
138.09149	54.1
144.06595	6.3
145.02869	2.6
145.04970	12.3
153.01776	1.0
156.10219	41.3
156.11336	2.9
157.07649	1.0
157.10838	1.8
158.09274	3.9
162.07634	6.7
165.05495	1.7
171.14943	5.0
171.98282	0.8
172.05190	1.3
175.11946	24.7
177.05524	3.4
183.11333	1.3
185.16518	6.0
189.15961	0.9
198.02975	1.2
200.00426	2.0
213.16032	1.6
214.05774	1.0
216.04301	1.4
226.02736	1.3
228.16980	1.4
229.15416	3.7
242.01768	2.4
242.10291	1.5
246.01013	1.0
253.16647	1.3
270.13382	30.8
271.17691	4.4
288.02264	3.6
288.05872	18.6
288.14435	100.0
288.20184	47.2
288.22949	6.6
289.11682	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05025	0.5
69.40115	3.5
83.06104	1.3
86.09673	1.1
89.03411	0.6
89.03922	6.5
95.06096	22.0
106.04147	0.6
112.08736	49.8
117.03387	24.0
117.04250	0.5
117.46379	0.5
124.50707	0.4
134.03622	2.0
135.04416	1.4
138.06628	4.3
145.02855	65.6
149.05997	8.3
177.05481	100.0
178.05800	0.6
196.02722	0.4
224.89989	0.4
269.56851	0.4
270.12436	1.2
288.05667	1.0
288.13437	26.7
289.13593	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2371
Annotation	13-cis-Retinol
Peak:m/z	Relative Intensity
53.03940	3.9
55.01875	2.3
55.05502	11.2
65.03940	1.9
66.88491	1.2
67.05187	2.3
67.05511	23.1
67.65315	1.3
69.03432	1.5
69.07066	16.5
70.75690	2.5
71.05022	1.7
71.32384	1.2
79.05069	2.1
79.05500	28.1
81.07063	100.0
83.04982	1.1
83.08636	8.4
85.06564	1.8
87.10798	1.3
91.05482	15.2
93.07058	44.2
93.26864	1.2
95.04971	4.3
95.08614	56.4
95.28820	1.2
97.06520	3.8
97.10186	7.3
97.10706	1.2
105.07042	30.1
107.08610	37.0
109.06538	8.8
109.10167	25.7
111.08083	7.9
111.11723	1.4
117.07016	5.9
119.08583	21.8
121.06550	1.7
121.10149	34.4
123.08075	3.0
123.11726	10.1
125.09634	2.9
128.06155	1.6
129.06987	3.6
131.08582	12.8
132.09499	1.5
133.10147	16.4
135.08089	1.4
135.11684	15.0
137.09642	3.8
137.13231	2.0
143.08586	6.8
145.10149	16.4
147.11694	12.6
149.09561	1.5
149.13277	15.1
151.11203	4.7
157.10129	5.7
159.11728	13.9
161.13286	12.3
163.11150	2.0
163.14871	7.9
164.74594	1.3
165.12711	2.1
169.38947	1.3
171.11732	5.6
173.13286	10.6
175.14853	9.4
177.12784	2.7
177.16368	8.7
185.13281	3.8
187.14833	9.7
189.16380	5.4
191.14273	2.1
199.14807	6.2
201.16388	5.9
205.15894	4.1
213.16342	10.1
215.17863	2.1
217.15945	1.6
227.17888	3.4
229.19566	7.5
231.17384	2.4
241.19624	2.0
269.22665	29.5
287.05542	2.9
287.23703	77.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.237
Annotation	11-cis-Retinol
Peak:m/z	Relative Intensity
53.03938	2.8
55.01875	2.0
55.05511	13.3
57.03419	1.5
57.07063	3.7
61.43542	1.2
62.32241	1.3
64.80463	1.3
67.05180	2.1
67.05509	26.9
69.07081	16.2
71.04961	2.2
78.90762	1.4
79.05495	20.6
81.03410	2.0
81.07058	63.6
83.05015	1.5
83.08632	7.4
85.06545	2.3
88.23354	1.5
91.05486	18.2
93.06490	2.0
93.07050	34.9
95.04977	2.8
95.08617	41.5
97.00550	4.6
97.06526	4.9
97.10179	2.9
99.08087	2.3
105.07036	37.0
107.04943	1.6
107.08601	41.6
109.06474	3.3
109.09476	2.5
109.10160	30.0
109.10851	2.9
111.08060	2.9
111.11701	2.7
115.05511	2.1
117.07030	6.6
119.08584	33.9
121.06427	1.8
121.09317	2.5
121.10151	29.3
123.08073	3.6
123.11713	11.3
125.09644	2.1
129.06966	3.0
131.08574	14.4
133.10133	23.6
135.02075	1.4
135.08063	3.0
135.11696	18.6
137.09561	3.9
137.13274	3.1
139.11166	1.7
140.27531	1.6
142.07874	1.2
143.08574	10.4
145.10120	18.6
147.11684	21.9
149.13264	15.6
151.11205	3.2
157.10141	7.7
159.11702	18.7
161.13251	13.3
163.14832	5.2
165.12753	3.3
171.11707	7.0
173.13278	16.0
175.14821	11.0
177.06779	9.1
177.12836	3.0
177.16333	4.0
185.13220	7.4
187.14760	10.6
189.16403	5.1
191.14322	1.8
193.15819	1.4
199.14801	9.9
201.16380	6.5
203.14371	1.6
203.17947	2.8
205.15845	1.5
210.00301	1.4
213.16405	9.9
215.18010	2.6
217.15942	3.0
227.18002	5.0
229.19495	13.1
231.17438	3.6
241.19557	3.7
243.20982	1.3
259.24213	1.6
269.22650	39.3
287.05417	11.2
287.08029	1.6
287.20282	5.0
287.23697	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2371
Annotation	11-cis-Retinol
Peak:m/z	Relative Intensity
52.06390	1.1
53.03933	2.4
55.01865	1.8
55.05520	15.9
57.03435	2.5
57.07074	3.2
63.00040	1.4
67.05188	2.3
67.05509	26.9
69.03408	2.5
69.07074	16.0
70.90509	2.2
71.04995	1.8
79.05496	33.2
81.07061	100.0
82.05560	1.1
83.04980	2.6
83.08618	10.5
85.06533	2.9
89.25224	1.4
91.05493	17.2
93.07047	49.9
95.04974	3.5
95.08610	64.1
97.00590	1.9
97.06515	5.5
97.10156	4.9
98.98403	1.5
99.08085	2.2
103.05410	1.7
105.07034	30.6
107.04935	1.6
107.07887	2.1
107.08600	41.0
109.06527	9.5
109.10159	28.3
111.08086	10.7
111.11677	1.6
117.07030	5.7
119.08587	30.5
121.06507	3.7
121.10147	39.7
123.08058	5.5
123.11713	9.5
125.09634	3.9
129.06998	4.0
131.08582	15.2
133.10144	19.7
135.08054	4.9
135.11682	14.2
137.09604	3.7
137.13239	3.2
139.11246	2.3
143.08572	6.7
144.09348	1.5
145.10124	20.7
147.11679	15.5
149.09627	3.6
149.13274	18.4
151.11150	4.9
153.01773	2.6
157.10139	10.1
158.10825	2.0
159.11684	17.5
161.13228	14.7
163.11192	2.4
163.14807	7.8
165.12738	2.1
166.96179	1.2
170.10913	1.9
171.10207	2.7
171.11676	7.4
173.13277	14.3
175.11113	1.4
175.14809	9.2
177.06758	4.5
177.12698	2.1
177.16409	10.9
179.14258	2.3
185.13316	6.9
187.14798	9.2
189.16368	5.3
191.14236	2.6
199.14877	9.0
201.16322	6.1
203.17973	2.1
205.15889	4.2
213.16379	12.5
215.18010	2.5
217.15912	2.7
219.17398	1.6
227.17891	6.4
229.19502	6.3
231.17395	3.1
241.19464	3.5
269.22632	34.1
287.05539	17.5
287.14938	1.8
287.20169	7.9
287.23672	80.3
288.23990	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	287.2371
Annotation	Helicallen-16-al
Peak:m/z	Relative Intensity
53.03936	2.2
55.05511	15.3
57.03424	2.3
57.07070	5.6
62.06072	1.8
62.87757	1.1
64.98480	1.0
65.62368	1.1
67.05187	1.4
67.05511	22.3
69.03401	1.6
69.07067	14.1
70.12457	4.0
71.05000	7.4
71.08611	1.5
77.03918	1.0
79.05498	15.6
81.07061	75.2
83.04978	2.3
83.08632	7.5
85.06525	2.2
91.05483	13.2
93.07050	48.7
95.04987	5.7
95.08613	41.1
97.06535	10.6
97.10161	3.9
99.08092	1.3
100.19762	1.1
105.04518	1.0
105.07038	33.0
107.07877	2.3
107.08601	41.8
109.06512	4.7
109.10163	48.1
111.08064	3.0
117.07036	3.0
119.08589	34.9
121.02849	2.0
121.06506	1.8
121.10149	32.7
121.32486	1.1
123.08064	6.3
123.11707	19.9
125.09612	3.1
128.06219	1.6
129.07013	3.1
130.07791	1.5
131.08566	12.4
133.09142	1.1
133.10135	20.8
135.08044	2.3
135.11705	15.3
137.09613	3.0
137.13251	2.8
139.11240	1.7
142.07816	1.9
143.08556	9.0
144.09360	2.0
145.10135	16.8
146.13376	1.1
147.07954	1.3
147.11699	23.6
149.09618	3.1
149.13277	26.3
151.11165	3.0
153.01822	2.4
156.09384	1.4
157.10129	12.4
158.10927	2.3
159.11703	25.8
160.12523	1.2
161.13269	25.5
163.11147	6.3
163.14827	11.3
165.01799	1.2
165.12776	1.9
171.11699	9.8
173.13280	18.7
175.11235	1.5
175.14833	9.2
177.06885	1.0
177.12766	4.5
177.16385	3.0
182.11006	1.2
185.13272	7.2
187.14793	7.6
189.12784	1.8
189.16393	10.5
191.14352	2.8
191.17961	3.5
197.13283	1.2
199.14828	11.9
201.16408	4.3
203.17996	6.5
205.15878	2.7
213.16382	17.6
213.24168	1.3
215.17931	3.3
217.15874	2.5
217.19580	2.2
219.17595	1.2
227.17989	5.9
229.19550	11.8
230.24825	2.0
231.17435	2.8
231.21097	3.5
231.25058	6.8
241.19461	2.5
243.21059	1.5
259.24268	2.4
269.22659	48.5
269.25604	2.4
270.23056	1.4
287.05548	17.0
287.23703	100.0
287.31323	24.0
288.23996	1.5
306.87228	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2371
Annotation	9-cis-Retinol
Peak:m/z	Relative Intensity
51.01601	2.1
53.03949	3.4
55.05518	12.1
57.07074	3.8
60.79380	1.8
66.60467	2.1
67.05514	22.1
69.07069	20.6
79.05495	25.0
81.07060	100.0
83.08617	8.4
91.05482	20.2
93.07046	63.6
95.04938	4.0
95.08612	54.7
97.10194	4.0
98.21563	3.4
105.07035	37.3
107.08595	64.6
109.06522	6.6
109.09474	3.4
109.10162	37.8
111.08074	7.5
117.07014	4.4
119.08590	43.8
119.09342	1.9
121.10141	45.3
122.37933	2.5
123.08087	4.9
123.11728	16.3
125.09629	3.4
131.08575	15.8
133.10123	24.6
135.11702	24.7
137.13248	3.3
139.11215	2.6
143.08595	10.2
143.83434	2.1
144.09399	2.3
145.10106	25.8
147.11674	29.2
149.09616	2.4
149.13272	45.1
151.11205	3.4
155.86032	2.1
157.10136	12.4
159.11705	30.4
161.13261	19.5
161.99715	2.4
163.11156	4.2
163.14864	11.7
165.12759	2.8
167.48502	2.3
170.90320	2.2
171.11711	8.8
173.13307	20.4
175.14815	13.6
177.16379	11.4
179.14337	2.2
185.13313	10.1
187.14793	11.0
189.16330	9.7
199.14867	14.5
201.16414	9.2
203.17882	3.1
213.16364	16.5
215.17966	5.1
217.15923	4.6
217.19591	2.6
227.17995	8.4
229.19565	11.2
231.17461	5.1
241.19524	3.1
243.21069	2.8
259.20670	2.3
259.24207	2.9
269.22665	47.4
287.23706	97.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2371
Annotation	9-cis-Retinol
Peak:m/z	Relative Intensity
53.03945	3.2
55.05521	12.8
55.30365	1.3
57.07078	2.1
60.31034	1.4
67.05509	19.7
69.07072	16.0
69.16175	5.7
69.16602	9.4
71.05017	2.0
75.26043	1.2
77.03912	1.7
79.05505	23.5
81.07066	100.0
81.29398	1.3
83.04993	1.9
83.08626	6.8
85.06507	1.3
91.05485	17.3
93.07052	51.8
94.18394	1.2
95.04970	3.5
95.08615	47.0
97.06507	2.5
97.10170	3.7
105.07040	33.5
107.08608	51.2
109.06573	7.1
109.07168	1.3
109.10175	30.4
111.08096	4.8
111.11743	1.5
117.07022	5.4
119.08592	30.5
121.09349	2.6
121.10157	38.1
121.78748	1.3
123.08113	2.8
123.11729	13.0
125.09609	2.5
129.07025	1.6
131.08583	12.4
133.10152	18.0
135.11714	18.4
137.09592	2.9
137.13261	3.3
139.11151	1.6
142.07768	1.5
143.08603	5.4
145.10144	17.3
147.11694	20.1
149.13278	36.3
151.11169	3.3
157.10150	8.6
159.11732	17.1
159.13005	1.6
161.13258	13.4
163.11166	2.4
163.14835	9.3
165.12784	2.5
169.10231	1.6
171.11685	8.2
173.13272	12.9
175.14851	6.5
177.16393	8.7
179.14386	2.7
185.13248	4.7
187.14810	7.6
189.16409	5.3
191.14272	1.9
199.14880	7.7
201.16455	9.5
203.17982	2.3
213.16391	12.0
215.17967	3.5
217.15845	3.5
217.19539	1.4
227.17963	5.7
229.19611	8.1
231.17404	3.0
241.19441	2.7
243.21170	2.5
269.22662	31.1
281.85965	1.5
287.05667	1.8
287.23715	70.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2371
Annotation	11-cis-Retinol
Peak:m/z	Relative Intensity
50.88322	1.3
53.03926	2.2
55.05516	10.9
57.03435	1.5
57.07067	2.5
67.05511	22.9
69.03419	3.3
69.07069	15.6
71.04982	3.4
72.72353	1.6
79.05502	18.0
81.07058	72.9
83.04977	1.5
83.08600	7.2
85.06525	1.8
91.05486	13.6
93.06487	2.9
93.07050	41.7
95.04957	4.0
95.08613	49.0
97.00449	2.1
97.06515	5.0
97.10185	5.5
99.08046	2.2
105.07036	34.4
107.08596	47.9
109.06495	4.5
109.10162	32.6
111.08087	4.5
111.11766	2.2
117.07023	4.0
119.08581	37.2
121.06413	2.6
121.09337	2.4
121.10155	37.9
123.08072	5.8
123.11718	17.6
125.09618	3.3
129.06987	5.0
131.08571	11.6
132.32430	1.5
133.10136	23.6
135.11708	23.7
137.09624	2.3
137.13249	3.3
139.11128	2.9
143.08522	7.8
144.09338	1.6
145.10138	22.2
147.08138	1.9
147.11699	24.1
149.09596	2.8
149.13274	21.3
150.12695	1.7
151.11217	5.0
153.01862	2.7
156.09311	1.8
157.10118	9.8
159.11688	23.2
161.09695	2.0
161.13272	15.9
163.11148	5.2
163.14862	9.8
165.12747	4.7
171.11710	9.7
173.13295	17.7
175.11111	1.9
175.14844	10.0
177.06796	2.6
177.12733	3.7
177.16393	5.9
185.13210	8.9
187.14809	9.5
189.12605	1.9
189.16415	6.4
191.14305	1.9
193.15919	2.8
199.14813	8.5
201.16393	6.1
203.18013	2.4
205.15933	1.9
213.16409	16.0
215.18021	3.1
217.15854	3.1
219.17633	1.8
227.17949	6.2
229.19499	10.3
231.17461	4.4
241.19594	3.8
269.22656	38.9
287.05554	11.5
287.20230	7.6
287.23688	100.0
288.24341	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.237
Annotation	Helicallen-16-al
Peak:m/z	Relative Intensity
51.81546	1.3
53.03931	3.0
53.87142	1.7
53.93550	1.4
55.05517	11.9
56.76240	1.6
57.07074	2.1
67.05506	17.2
69.03410	1.6
69.07064	12.9
71.04967	3.1
71.08945	3.2
71.09291	2.3
77.03918	2.2
78.06493	1.5
79.05492	15.1
81.06595	3.1
81.07062	62.6
83.04984	2.2
83.08608	5.4
84.07556	1.4
85.06581	1.8
87.74001	1.5
91.05483	10.5
93.07051	39.7
95.04939	3.4
95.08610	42.1
97.06516	2.4
97.10150	4.2
98.36713	1.6
105.07039	36.0
107.08601	47.5
109.06494	2.2
109.10160	32.1
111.08086	3.9
117.07003	5.3
119.08588	30.0
120.44372	1.6
121.06490	2.1
121.10157	34.4
123.08085	2.3
123.11706	12.2
125.09622	2.6
131.08533	9.0
133.10136	17.8
135.08086	1.9
135.11703	24.0
137.09622	2.8
137.13268	3.9
139.11165	2.7
142.07753	1.7
143.08569	5.0
144.09380	2.8
145.10114	16.2
147.11714	23.4
149.13264	20.1
151.11205	3.8
157.10123	7.6
159.11703	25.9
161.13254	17.0
163.11217	5.4
163.14821	6.2
165.12744	6.2
171.11732	10.2
173.13268	18.2
175.14836	11.7
177.12802	3.7
177.16335	4.2
179.14398	2.5
185.13298	5.7
187.14766	8.2
189.16350	6.9
191.14346	2.5
193.16011	1.7
199.14778	10.1
201.16333	4.3
203.17944	2.4
213.16411	15.8
215.17993	5.8
217.15903	3.0
227.18008	5.8
229.19533	16.1
231.17468	3.4
269.22650	52.9
287.05713	3.4
287.23697	100.0
288.24225	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2371
Annotation	Helicallen-16-al
Peak:m/z	Relative Intensity
50.32309	1.4
50.72407	1.6
53.03942	2.8
54.54129	1.7
55.05513	14.1
57.07066	3.5
59.59800	1.7
60.86381	1.7
67.05508	27.8
69.03438	2.7
69.07073	18.6
70.74992	3.5
71.04982	3.0
79.05081	1.9
79.05502	24.3
81.07063	87.7
81.27987	1.9
83.04967	2.6
83.08611	7.4
85.06553	2.6
91.05486	17.8
93.07049	51.5
95.04965	6.5
95.08611	55.2
97.06534	5.9
97.10160	4.3
99.08077	2.8
105.07036	36.3
107.08603	49.7
109.06516	9.8
109.10168	34.6
111.08062	5.2
117.07018	6.0
119.08591	40.1
121.06506	1.7
121.09330	3.0
121.10149	35.9
123.08053	5.1
123.11722	13.1
125.09608	4.8
129.07048	1.9
130.07739	2.2
131.08562	11.6
132.71747	1.7
133.10139	22.2
135.08037	3.4
135.11700	20.3
137.09596	5.3
142.07747	1.9
143.08626	8.1
145.10152	17.9
147.11702	18.5
149.09576	1.8
149.12225	2.1
149.13289	29.3
151.11165	9.8
157.10121	13.8
159.11699	24.7
161.13274	16.5
163.11171	4.5
163.14888	8.2
165.12807	3.2
171.11732	9.0
173.13287	16.6
175.14828	12.6
177.12791	4.5
177.16408	6.2
183.11627	2.6
185.13303	8.1
187.14807	10.3
189.16382	6.9
191.14326	3.7
199.14774	10.0
201.16371	8.4
203.17958	2.0
205.15877	2.6
213.16388	18.1
215.17937	3.7
217.19481	1.9
220.21320	1.7
227.17973	7.3
229.19537	13.6
231.17395	3.5
256.03909	1.8
269.22644	43.5
287.05704	3.3
287.23706	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.237
Annotation	Helicallen-16-al
Peak:m/z	Relative Intensity
54.19453	1.9
55.05514	12.5
55.26669	1.8
57.07061	3.7
63.25405	2.2
67.05170	2.6
67.05508	22.7
69.03391	2.5
69.07075	16.6
71.04990	4.0
71.27041	3.7
76.85397	2.0
79.05498	18.5
81.06593	3.3
81.07060	59.9
82.59364	2.2
83.04970	4.0
83.08612	7.4
85.06544	3.6
91.05485	11.0
91.05954	2.1
93.07052	38.0
95.04956	4.7
95.08612	49.2
97.06536	7.1
97.10161	4.2
105.05916	2.3
105.07035	34.0
107.08608	47.3
109.06515	5.4
109.10168	36.4
109.10873	1.4
111.08070	7.7
111.11762	2.7
117.06969	3.4
119.08591	41.2
121.06514	2.0
121.09334	3.3
121.10142	33.2
123.08069	8.0
123.11733	13.5
125.09645	5.3
129.06985	2.4
131.08598	14.2
133.10129	20.7
135.11726	16.1
137.09618	2.9
142.07784	3.5
143.08586	9.5
145.10138	26.4
147.11703	23.4
149.13278	18.9
151.11208	2.5
156.09332	2.2
157.10132	13.2
158.10815	1.9
159.11708	38.5
161.13240	19.5
163.14896	11.5
165.12718	2.3
171.11687	13.4
173.13263	22.9
175.14830	8.7
177.16374	4.6
185.13225	11.1
187.14876	13.5
189.16399	8.3
191.14262	2.9
191.17987	3.5
199.14861	15.3
200.15605	2.0
201.16365	9.5
203.17984	7.3
211.14799	2.4
213.16373	25.4
215.18007	10.8
217.15973	5.4
217.19586	2.1
219.17599	2.6
227.17960	10.0
229.19487	21.4
231.17523	5.3
241.19533	4.7
243.20915	2.7
259.24115	2.7
269.22659	65.6
287.05667	3.0
287.23709	100.0
288.24213	2.1
299.82791	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	287.2369
Annotation	11-cis-Retinol
Peak:m/z	Relative Intensity
53.03932	5.4
53.24835	1.5
54.30844	1.4
55.01860	2.1
55.05275	1.6
55.05511	21.7
57.01876	1.5
57.03415	1.8
57.07059	3.9
59.04966	1.3
65.03918	2.0
67.05183	2.3
67.05508	34.3
69.03410	6.6
69.07072	22.6
70.06566	1.8
71.04979	3.4
71.15381	3.2
71.51255	1.5
73.02885	1.6
77.03922	1.5
79.05499	29.1
81.07058	95.5
81.42612	1.4
83.04965	2.2
83.08617	10.5
85.06550	2.8
86.09702	3.5
91.05479	20.9
93.07048	58.5
93.07637	2.9
95.04969	3.0
95.08608	59.6
96.23936	1.4
97.06525	4.8
97.10165	6.6
99.08083	2.5
105.07037	46.6
107.08598	70.1
109.06509	9.4
109.10162	40.7
110.76588	1.4
111.08102	8.8
111.11752	1.8
117.07018	6.1
119.08588	50.0
121.06495	2.9
121.10144	43.5
123.08068	5.3
123.11716	17.9
125.09621	8.7
128.10695	1.6
129.07014	2.8
130.07852	1.5
131.08577	16.8
133.10139	32.0
135.08043	3.5
135.11691	28.7
137.09636	3.9
137.13252	5.2
137.75577	1.2
139.11200	3.3
141.38756	1.3
142.07809	1.8
143.08530	9.8
144.09305	2.3
145.10126	23.9
147.11694	27.8
149.09598	2.9
149.13260	43.5
151.11163	10.8
151.14830	2.2
157.10100	15.0
158.10887	1.9
159.10495	1.8
159.11705	25.2
161.13255	22.5
163.11139	3.5
163.14828	9.8
165.01903	1.6
165.12756	6.5
171.11696	11.0
173.13277	24.4
175.14827	13.7
177.12758	5.8
177.16394	9.9
179.14313	2.4
183.02927	1.5
185.13243	9.7
187.14815	9.7
189.16399	12.2
191.14301	3.4
193.15903	2.5
199.14841	12.6
201.16391	16.6
203.18013	3.4
205.15991	2.4
213.16379	19.8
215.17972	6.8
217.15822	3.0
225.16400	1.6
227.17982	6.7
229.19565	11.5
231.17448	6.7
241.19530	2.9
252.23262	3.5
259.24164	3.6
269.22647	47.6
270.24301	9.2
287.05496	18.7
287.23688	100.0
288.24533	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	287.237
Annotation	11-cis-Retinol
Peak:m/z	Relative Intensity
53.03933	5.3
55.01852	2.4
55.05511	13.2
57.07059	2.3
65.03935	1.9
67.05508	24.1
69.03426	2.7
69.07074	17.7
71.04983	2.2
77.03935	1.9
79.05489	24.6
81.07059	100.0
83.04975	2.3
83.08620	7.2
85.06536	2.0
91.05482	16.2
93.07047	48.0
95.04974	3.5
95.08611	60.7
97.06520	4.9
97.10162	4.2
98.20802	3.5
105.07030	33.2
107.07886	2.3
107.08600	40.4
109.06521	7.9
109.09464	2.6
109.10159	29.3
111.08086	6.6
111.11708	2.1
117.07007	5.4
119.08585	33.1
121.06542	1.7
121.10152	29.8
123.08096	4.6
123.11716	13.1
125.09608	3.3
129.06995	2.6
131.08572	14.1
133.10158	23.0
135.08055	1.8
135.11702	20.4
137.09615	3.1
137.13266	2.9
139.11148	2.8
143.08611	7.3
145.10114	16.9
147.11694	19.5
149.09579	2.3
149.13260	17.0
151.11186	5.5
157.10127	9.9
157.13232	1.4
158.10904	1.9
159.11687	20.0
161.13268	16.5
163.14815	8.4
165.12767	1.9
171.11734	8.4
173.13246	18.9
174.54117	1.5
175.14812	9.7
177.12767	4.3
177.16420	7.4
179.14294	2.7
185.13251	8.7
187.14832	8.9
189.16359	8.2
191.14307	2.9
199.14871	11.6
201.16432	7.7
203.17972	2.5
205.15877	3.9
213.16370	12.6
215.17964	2.8
217.15965	3.2
219.17439	2.3
227.17912	5.4
228.98654	1.6
229.19576	14.1
231.17450	2.8
241.19551	4.6
243.96883	1.9
252.40411	1.7
259.24274	2.0
269.22656	40.9
287.23706	88.2
288.24020	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	287.237
Annotation	Helicallen-16-al
Peak:m/z	Relative Intensity
53.03944	3.2
55.05520	8.6
64.95224	1.8
67.05503	26.0
69.03443	2.3
69.07079	14.8
72.09098	1.8
79.05500	16.1
81.06589	3.6
81.07061	59.4
83.04998	1.9
83.08633	5.0
91.05471	10.9
93.07053	37.5
95.04967	1.7
95.08619	37.6
95.61208	1.6
97.06525	2.8
97.10142	3.4
98.21619	3.1
99.08102	1.9
105.07043	30.5
107.08605	37.1
109.06502	2.9
109.10155	31.4
111.08080	3.3
113.57397	1.7
117.07060	2.4
119.08589	26.1
121.06481	2.5
121.10155	25.0
122.89355	2.3
123.11697	10.5
125.09619	2.2
129.07024	2.7
131.08583	13.0
133.10161	21.6
135.11702	17.0
137.09593	3.4
143.08582	4.7
145.10136	19.4
147.11699	20.3
149.13268	16.0
151.11189	4.0
157.10182	10.2
159.11720	19.2
161.13254	18.8
163.14830	7.3
165.12799	1.8
171.11679	6.4
173.13239	13.9
175.14853	12.7
185.13280	7.4
187.14859	9.3
189.16371	7.4
191.14323	3.6
199.14865	11.1
201.16396	5.6
203.17798	3.0
213.16388	14.5
215.18019	3.0
217.15791	3.6
227.17975	6.4
229.19554	20.5
259.24384	2.1
269.22632	38.5
287.23712	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0553
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03944	0.3
53.98493	0.2
55.01872	0.2
55.05516	0.3
57.07059	0.3
59.05001	0.4
62.14743	0.2
65.03943	0.3
67.01854	0.2
67.05493	0.5
68.99447	0.2
68.99794	2.3
69.03438	0.3
69.07064	0.5
71.01376	0.2
71.50640	0.2
71.50993	0.2
72.08196	0.2
73.06565	0.2
79.05501	1.2
81.03424	0.4
81.07070	1.0
83.08647	0.3
91.05477	0.6
93.07038	0.7
94.92558	0.2
95.01370	0.2
95.04987	0.4
95.08607	0.8
98.98535	0.2
103.05447	0.3
105.03430	1.0
105.07024	1.0
107.04976	1.2
107.08601	1.1
109.02901	1.0
109.10162	0.5
111.00833	1.7
111.04448	0.4
115.05466	0.4
117.07027	0.5
119.08601	0.7
121.02882	7.1
121.03884	0.3
121.06471	0.3
121.10125	0.8
123.04427	0.3
123.08099	0.2
123.11687	0.2
127.03910	0.2
128.06221	0.3
129.07018	0.7
131.08571	0.5
133.02890	0.8
133.10130	0.5
135.04407	0.4
135.11731	0.3
137.02342	2.4
141.06969	0.3
143.08562	0.3
145.06564	0.8
145.10144	0.5
147.04411	1.6
147.08035	0.3
147.11700	0.3
149.09569	0.3
149.13271	0.2
153.01843	11.3
157.06520	1.6
157.10103	0.4
159.11716	0.4
161.06010	0.4
161.09543	0.2
165.01855	3.6
171.04428	0.7
171.11742	0.4
173.13338	0.4
175.07593	0.2
181.10036	0.2
183.02888	1.5
185.05934	1.2
185.13266	0.2
189.05510	0.3
197.05959	0.3
199.03972	0.3
203.03511	0.3
203.07007	0.2
207.64310	0.2
213.05458	3.2
213.12665	0.2
216.04196	0.3
229.05009	0.6
231.06483	1.2
241.04956	1.4
243.06584	0.3
258.05228	2.9
259.06036	0.7
269.04575	0.4
269.18875	0.3
269.22733	0.3
286.31027	0.7
287.05524	100.0
287.20090	2.0
287.23749	0.8
287.31345	0.4
288.05862	1.7
299.37259	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Cyanidin
Peak:m/z	Relative Intensity
53.03935	0.3
53.63397	0.2
55.01881	0.3
55.05517	1.3
56.05030	0.5
60.05623	0.2
65.03941	0.5
67.05508	0.4
68.99783	2.4
69.03429	0.6
69.07062	0.6
70.06598	4.1
71.04996	0.4
71.06918	0.2
71.50278	0.3
72.08161	6.7
74.06094	0.2
76.65517	0.2
79.05479	1.0
81.03428	0.4
81.07043	0.5
82.05347	0.3
84.04504	0.7
84.08143	3.0
85.02893	0.2
86.06068	0.6
86.09710	4.4
87.10021	0.2
88.03979	0.2
91.05488	0.7
91.20744	0.2
93.07019	0.2
95.04973	0.3
95.06100	2.4
96.75938	0.2
97.02890	0.6
97.06530	0.2
97.20075	0.2
98.06074	0.5
99.08094	0.2
103.05470	0.3
105.03422	1.0
107.04963	7.5
107.08557	0.3
108.05295	3.8
109.02859	0.7
110.03665	0.2
110.07164	0.6
110.09628	0.2
111.00797	1.7
111.04415	0.3
112.08734	2.3
112.11259	0.3
113.07101	0.2
115.05465	0.6
115.08723	0.2
116.05777	0.3
116.07091	0.9
117.03407	0.6
119.04974	0.5
120.08099	0.6
121.02874	8.3
121.03900	0.4
121.06532	0.2
123.04432	0.3
127.03914	0.6
128.06241	0.4
128.07133	0.2
128.08195	0.3
129.07005	0.6
129.10234	1.9
130.06551	0.6
131.08537	0.2
132.10196	0.3
133.02881	1.3
135.04419	0.4
136.06255	0.2
137.02357	2.6
137.05966	0.5
138.06525	0.8
139.03996	0.2
143.04929	0.6
143.11780	0.8
144.05289	0.6
144.08102	1.2
145.02864	1.5
145.06529	1.0
146.06946	0.2
147.04416	1.9
153.01834	10.9
153.13907	0.2
156.07652	0.3
157.06511	1.5
157.09785	0.3
161.05937	0.5
165.01854	3.7
170.05925	0.4
171.04436	0.8
174.08771	1.3
175.03932	0.3
175.07568	0.6
175.11705	0.2
176.07916	0.8
177.05479	2.3
177.06784	0.3
181.13338	0.4
183.02956	1.4
185.06017	0.9
189.05353	0.3
189.12428	0.3
192.08864	0.3
193.17502	0.2
195.07735	0.2
197.06001	0.4
203.03387	0.3
209.09546	0.2
210.10022	0.7
213.05461	3.1
227.13931	0.7
229.04973	0.4
230.05780	0.2
231.06529	1.1
238.09433	0.9
241.05014	1.7
258.05295	2.1
259.06046	0.6
269.04498	0.5
269.13068	0.3
270.12064	3.8
275.24182	0.2
287.05505	100.0
287.14523	3.9
287.17288	1.1
288.05798	1.7
288.13474	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0553
Annotation	Fisetin
Peak:m/z	Relative Intensity
53.03954	0.3
55.01875	0.3
55.05516	0.1
57.17061	0.1
63.82691	0.1
65.03939	0.4
67.01859	0.4
67.05486	0.2
67.07303	0.1
68.99794	2.5
69.03422	0.3
70.06621	0.1
70.39963	0.4
72.08157	0.1
79.05491	0.6
81.03407	0.4
81.07049	0.3
83.01338	0.1
91.05480	0.1
93.07011	0.2
95.01308	0.1
95.04961	0.3
95.08621	0.2
97.02895	0.2
97.06553	0.2
103.05478	0.3
105.03389	0.8
105.07023	0.2
107.04957	1.1
109.02891	0.8
109.10178	0.3
111.00805	2.0
111.04463	0.3
115.05456	0.5
119.04963	0.2
119.08556	0.2
121.02874	7.2
121.03918	0.4
121.10155	0.2
126.68131	0.1
127.03901	0.3
128.06218	0.2
129.06989	0.3
133.02878	1.1
135.04433	0.2
137.02339	2.5
141.06932	0.3
144.11858	0.1
145.06474	0.5
147.04410	1.6
147.11728	0.2
153.01834	11.6
155.06055	0.1
157.06487	1.7
161.05969	0.5
165.01854	3.7
167.04982	0.1
171.02965	0.1
171.04372	0.6
175.03873	0.2
175.07573	0.2
183.02914	1.8
185.05981	1.2
189.05495	0.3
196.67397	0.1
197.05989	0.3
199.03946	0.2
203.07054	0.3
213.05469	3.4
216.04211	0.2
217.04947	0.1
229.04994	0.5
231.06517	1.5
239.49478	0.1
241.04991	1.7
243.06561	0.1
257.04727	0.1
258.05267	2.0
259.05978	0.7
269.04477	0.4
269.22595	0.1
275.08533	0.1
287.05505	100.0
288.05807	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	287.055
Annotation	Luteolin
Peak:m/z	Relative Intensity
51.02386	0.1
53.03931	0.2
55.01867	0.2
65.03934	0.3
67.01882	0.3
68.99791	1.9
69.03416	0.1
70.18086	0.5
71.01366	0.1
79.05479	0.4
81.03420	0.2
89.09460	0.1
95.04957	0.2
97.02911	0.1
100.41754	0.1
103.05466	0.2
105.03401	0.9
107.04960	1.0
109.02909	0.7
111.00820	1.4
111.04423	0.2
115.05444	0.2
117.07021	0.1
121.02876	6.1
121.03876	0.3
127.03909	0.4
128.06258	0.2
128.60007	0.1
129.07014	0.4
133.02853	0.7
135.04393	0.3
137.02361	1.9
139.05489	0.2
141.06975	0.2
145.06496	0.4
147.04405	1.2
147.38228	0.1
153.01843	9.4
157.06503	1.3
161.06047	0.3
165.01852	3.3
166.57718	0.1
168.30693	0.1
171.04448	0.5
175.03912	0.2
175.07619	0.1
178.02718	0.1
183.02888	1.5
184.05322	0.1
185.06013	0.8
189.05473	0.3
193.25153	0.1
197.05937	0.2
199.03897	0.2
201.05475	0.1
203.03391	0.2
203.07088	0.3
213.05484	2.7
229.04959	0.3
231.06573	1.1
241.04979	1.3
243.06409	0.2
258.05292	1.9
259.06079	0.7
269.04449	0.4
287.05511	100.0
288.05841	1.5
308.54645	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	287.0551
Annotation	Luteolin
Peak:m/z	Relative Intensity
55.01868	0.4
63.11468	0.2
65.03944	0.5
67.01860	0.4
68.99796	2.9
69.03438	0.3
70.63022	0.8
70.63373	0.3
72.79724	0.2
79.05511	0.4
105.03397	1.2
107.04967	1.4
109.02901	0.7
111.00793	1.8
111.04507	0.3
115.05427	0.4
120.88407	0.3
121.02878	7.3
121.03896	0.6
133.02876	0.5
135.04419	0.5
137.02361	2.0
141.07013	0.4
145.06445	0.6
147.04420	1.1
153.01840	11.0
154.29305	0.3
157.06506	1.4
161.06030	0.3
165.01848	4.1
171.04457	1.1
183.02954	1.8
185.05998	1.1
185.41893	0.3
189.05492	0.4
197.05946	0.3
213.05446	3.1
229.04890	0.3
231.06503	1.1
241.04919	1.8
243.06500	0.3
244.15196	0.3
258.05270	2.5
259.06165	0.7
269.04242	0.4
287.05518	100.0
288.05807	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.1
55.01884	0.2
58.54764	0.1
63.72000	0.1
65.03934	0.3
67.01878	0.3
68.99453	0.2
68.99796	2.1
69.03420	0.3
70.06588	0.2
70.45565	0.5
72.08144	0.2
79.05478	0.5
81.03425	0.3
84.08137	0.3
86.09743	0.1
95.04938	0.2
103.05473	0.3
105.03387	0.9
107.04968	1.1
109.02908	0.9
111.00817	1.4
111.04479	0.1
117.06952	0.2
119.04944	0.2
121.02882	7.9
121.03874	0.3
125.16982	0.1
127.03907	0.5
128.06227	0.2
129.07019	0.5
133.02888	1.0
134.73073	0.1
135.04466	0.3
137.02354	2.2
141.06998	0.3
145.06493	0.7
147.04454	1.7
153.01843	11.9
155.06075	0.2
157.06494	1.3
161.05988	0.5
165.01851	3.7
169.06503	0.2
171.04422	0.8
175.03894	0.2
177.05522	0.2
183.02902	1.7
183.04338	0.2
185.05981	1.0
189.05464	0.3
194.02090	0.2
197.06004	0.4
203.07086	0.3
213.05486	3.7
217.05066	0.2
229.04939	0.4
231.06503	1.5
241.04927	1.6
258.05289	2.4
259.06049	1.0
269.04541	0.4
287.05521	100.0
288.05814	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.2
55.01882	0.2
55.05501	0.1
59.71351	0.1
65.03933	0.4
67.01862	0.4
67.05502	0.3
68.99797	2.6
69.00167	0.1
69.03421	0.3
69.07069	0.2
70.06590	0.1
71.01352	0.1
71.04991	0.1
71.75179	0.1
72.08137	0.2
79.05486	0.7
81.03414	0.3
81.07043	0.4
91.05474	0.4
93.07042	0.2
95.04981	0.3
95.08615	0.3
97.06503	0.2
98.20683	0.1
103.05482	0.2
105.03402	1.0
105.04505	0.2
105.07039	0.2
107.04967	1.2
107.08617	0.2
109.02892	0.9
109.10126	0.2
109.88879	0.1
111.00813	1.5
111.04462	0.3
115.05434	0.3
117.07023	0.2
117.82117	0.1
119.04950	0.3
119.08580	0.2
121.02877	7.3
121.03917	0.4
127.03904	0.1
128.06218	0.2
129.07010	0.5
131.04913	0.2
131.08574	0.1
133.02840	0.9
135.04401	0.4
136.07582	2.7
137.02353	2.3
140.74396	0.1
141.06979	0.3
145.06494	0.7
145.10138	0.1
147.04416	1.3
152.07091	0.2
153.01833	11.9
154.02257	0.1
157.06488	1.5
161.05966	0.6
164.07094	2.3
165.01854	4.1
169.06470	0.3
171.04425	0.7
173.05969	0.1
175.03885	0.2
175.07521	0.1
178.60994	0.1
183.02885	1.4
184.05133	0.1
185.05980	1.3
189.05499	0.3
197.06018	0.3
199.03867	0.3
201.16438	0.1
203.03290	0.2
203.07048	0.3
213.05476	3.6
216.04327	0.1
217.05017	0.1
229.04951	0.6
231.06509	1.4
241.04953	1.9
243.06467	0.2
257.04510	0.1
258.05276	2.7
259.06070	0.9
269.04419	0.3
269.22937	0.2
286.04956	0.2
287.05505	100.0
288.05838	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	286.3108
Annotation	ES-285
Peak:m/z	Relative Intensity
55.05487	0.5
56.34787	0.3
57.06802	0.7
57.07081	13.4
58.06606	2.1
61.33770	0.3
61.63394	0.3
62.06097	6.9
67.05495	0.4
68.27782	0.3
69.07059	0.4
69.24490	3.3
71.08638	6.0
72.08143	0.5
79.05489	0.6
81.07039	0.7
85.02932	0.3
85.10181	1.1
85.33510	0.3
87.04475	0.4
93.07022	0.6
95.08635	0.5
98.20744	0.7
105.07050	0.6
109.10162	0.8
121.10094	0.5
130.00566	0.7
130.51787	0.4
156.17505	1.7
159.11658	0.4
174.18578	4.2
212.23741	7.7
215.77388	0.3
228.23209	0.5
230.24806	36.3
231.25211	0.5
268.30005	0.4
269.22659	0.6
285.91965	1.0
286.31061	100.0
287.05441	1.6
287.19916	0.5
287.23685	0.7
287.31461	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	287.0213
Annotation	Unknow
Peak:m/z	Relative Intensity
61.78654	0.6
63.30938	0.6
69.67529	1.1
69.67944	2.4
82.99860	0.8
98.21493	1.0
100.97681	0.6
101.00894	8.3
102.00983	1.7
103.00660	4.5
105.60194	0.5
111.58910	0.5
114.10255	0.5
114.80017	0.6
119.01935	9.7
120.02035	3.1
121.01681	5.6
128.26550	0.5
128.60828	0.6
130.66418	0.5
133.87152	0.6
137.02945	1.2
140.98837	0.7
142.03395	0.7
142.98679	0.7
158.99974	2.7
160.99667	2.8
161.99709	2.7
177.00963	11.4
178.01086	1.6
179.00719	10.8
180.00803	9.7
181.03412	0.7
182.03619	1.2
199.04556	1.1
200.00171	0.8
200.04767	1.1
201.00990	1.9
202.01027	0.7
203.00797	1.8
203.04208	0.6
204.00899	2.5
218.01253	9.1
219.02029	12.2
219.03911	1.1
220.02078	1.4
220.04004	2.1
221.01810	13.7
222.01930	16.2
227.00795	1.2
227.98798	0.8
228.00699	3.0
238.99568	0.5
240.98187	2.0
244.99084	0.9
245.01620	6.1
245.99507	1.1
246.01926	10.7
250.00151	1.2
261.03046	1.6
262.03217	2.7
263.02863	54.9
264.00464	30.9
264.03070	100.0
265.02780	2.2
279.12570	1.0
281.00638	1.0
282.01614	5.5
286.04565	0.7
286.99402	4.6
287.02252	0.7
287.04724	2.1
305.00763	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	286.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58998	0.6
55.05517	1.4
56.05045	1.3
57.03436	1.4
57.07065	0.6
59.05000	2.1
60.45512	0.7
61.02925	5.2
64.73057	0.8
68.05025	1.0
69.03416	0.9
69.43442	5.0
70.06594	11.7
70.56802	0.6
71.04990	6.1
72.08139	1.0
79.05489	2.5
79.05920	0.8
79.51297	0.8
81.04558	1.4
81.07059	11.8
82.05322	1.7
83.06106	11.6
84.08151	1.3
87.08099	2.1
93.04532	6.9
95.04957	0.9
95.06097	15.9
96.05978	0.7
107.06096	2.6
110.07173	100.0
111.05550	1.5
112.07600	8.2
112.08731	3.6
113.09633	0.8
119.06051	1.1
120.06854	0.6
121.07634	2.2
122.02731	0.6
123.04436	3.8
124.03955	2.6
127.50735	0.6
140.05518	1.3
140.07076	4.1
143.01897	1.1
146.09598	0.8
156.07697	13.3
157.09741	0.8
158.06665	3.8
163.12315	57.4
165.05525	0.7
166.06126	2.2
170.06651	1.1
175.70824	0.7
176.07782	0.8
185.09192	0.7
188.07686	3.0
190.13419	8.2
193.13390	1.3
208.14503	11.3
209.12901	0.9
210.16061	1.6
212.97673	0.8
214.09392	1.1
219.11305	2.5
224.07686	2.9
225.02440	0.8
225.15982	0.7
236.13963	8.3
240.17139	10.7
241.15495	1.4
242.08693	2.2
254.14999	24.1
268.06619	1.3
268.16507	1.1
286.17633	77.1
287.18015	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.3
56.05041	1.4
60.04536	1.0
64.31738	0.6
65.03951	0.5
68.05039	3.4
68.99800	2.0
69.03433	8.3
69.07079	1.3
69.76228	3.4
70.06599	60.9
71.04989	0.9
72.08161	8.2
74.06068	0.8
79.05507	4.0
80.05044	0.8
81.03417	1.1
81.07063	2.3
82.06595	5.4
83.04983	0.9
84.04510	2.3
84.08155	9.6
85.02921	4.3
86.09716	48.2
91.05493	0.8
95.04990	1.7
95.06097	2.6
97.06544	1.4
98.06077	2.7
99.04462	11.2
99.05568	0.8
100.03996	0.8
102.05556	0.7
105.03387	1.2
105.07030	1.4
107.04973	4.8
108.08108	1.4
110.06039	2.9
110.07182	1.1
111.00810	0.9
112.07613	9.3
112.08778	1.3
112.11266	0.7
113.02392	2.1
114.05580	0.8
114.09183	1.0
115.03971	1.5
116.07105	100.0
117.07458	0.9
118.06582	0.8
120.08129	1.4
121.02865	7.8
123.04472	0.7
125.06007	5.6
126.09170	2.9
127.03937	21.3
127.04903	1.0
127.08699	1.1
128.07111	7.6
129.07069	0.9
129.10271	2.7
130.05019	2.3
130.06512	0.7
130.08682	0.8
131.03448	1.4
131.45786	0.6
131.66838	0.6
133.02898	1.1
134.06030	1.7
136.07587	2.1
137.02383	2.0
137.06006	0.7
142.08633	1.6
143.11816	31.8
144.06543	0.7
145.04974	28.0
147.04417	1.7
147.08069	0.7
147.12595	0.7
153.01840	11.8
154.08647	46.5
157.06514	1.7
162.05528	1.5
165.01889	3.0
171.04393	0.7
171.11327	5.4
172.09706	17.6
180.06564	0.8
183.02963	1.7
185.06038	1.0
185.09138	1.1
188.06740	1.3
190.08611	0.6
192.06482	1.1
194.08217	0.6
208.09668	0.8
210.07832	0.6
213.05544	2.9
214.46181	0.8
224.09106	0.7
226.10815	1.1
241.04976	1.2
242.10262	38.8
253.16583	0.7
254.10287	1.0
258.05173	2.0
268.11868	1.8
286.12881	59.1
287.05530	94.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0746
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99575	3.0
70.06600	10.1
70.93150	2.9
72.08160	1.9
76.02221	5.1
84.08142	2.4
86.09715	4.3
86.99082	2.1
93.09029	1.1
95.04984	17.7
95.06075	1.2
105.00088	2.1
110.07191	5.3
112.07600	1.5
116.07108	2.5
121.06519	1.2
122.02743	23.7
123.04436	100.0
124.03971	6.2
124.04722	1.3
130.05058	1.5
141.10097	1.2
165.05492	31.8
173.09242	1.4
185.09261	2.2
191.18970	1.1
215.13788	1.4
241.67822	1.2
286.09134	1.8
286.17661	3.5
287.05295	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2213
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
53.03941	4.8
55.05511	18.3
66.11595	3.9
67.05511	32.8
69.03428	4.3
69.06735	5.2
69.07075	68.8
69.27908	19.6
69.28338	13.9
71.04967	8.0
71.23476	3.4
79.05517	19.4
81.07058	45.4
83.08607	11.0
91.05483	34.0
93.07046	35.1
95.04964	15.0
95.08048	5.3
95.08617	49.8
97.06522	23.2
97.10182	6.1
99.08067	5.0
105.07034	76.4
107.08607	42.5
109.06514	25.7
109.10162	41.0
111.08077	8.4
117.07034	8.7
119.08586	100.0
121.06508	15.8
121.10163	43.3
123.08061	7.4
123.11721	23.8
128.06232	5.5
131.08565	17.1
133.10130	60.2
135.08029	10.4
135.11710	18.1
137.09651	8.3
137.13223	3.6
142.07813	6.0
143.08551	13.4
144.09296	4.5
145.10155	31.8
146.07280	14.4
147.11700	29.1
149.13232	6.7
155.08551	8.0
156.09285	4.1
157.10074	13.5
159.11708	22.4
161.09615	91.1
161.13313	12.2
169.10184	10.1
170.10770	4.1
171.11745	6.2
173.13272	13.0
175.14822	62.4
177.16386	7.3
183.11664	11.6
185.13260	17.8
187.14882	5.7
189.12701	5.9
189.16267	8.5
193.15950	14.9
197.13290	16.6
199.14859	6.1
203.18028	8.5
211.14833	19.6
215.17868	6.4
229.15796	7.0
246.62564	4.6
257.22607	6.1
267.21094	23.9
285.22131	66.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2214
Annotation	17,17-Dimethyl-18-norandrosta-4,13-dien-3-one
Peak:m/z	Relative Intensity
50.21790	0.5
53.03936	1.3
55.05269	0.6
55.05514	7.4
57.03428	1.0
57.07069	1.2
57.93812	0.5
62.02449	0.5
63.37733	0.5
67.05174	0.9
67.05506	10.4
69.03433	1.4
69.07069	7.2
71.04983	1.0
71.08636	0.7
79.05498	8.1
81.07060	33.1
83.04962	0.8
83.08635	2.8
85.02921	0.6
91.05483	8.4
93.06483	1.0
93.07049	15.5
95.04977	3.4
95.08613	23.7
97.06530	3.1
97.10153	1.9
99.08122	0.7
103.05489	0.8
105.07037	19.8
107.04961	0.8
107.08598	23.4
109.06547	3.9
109.10158	14.8
111.08088	1.2
117.07042	3.3
119.08585	24.9
121.06525	3.0
121.09319	1.0
121.10152	11.9
123.08072	9.3
123.11704	5.1
125.09633	2.6
125.48883	0.6
128.06223	0.7
129.06999	2.1
130.07790	0.7
131.08580	10.2
133.06474	0.5
133.10139	15.2
135.08041	5.0
135.11703	6.2
137.09633	2.1
137.13242	0.6
141.06960	1.0
142.07768	2.0
143.08583	5.3
144.09358	1.4
145.10127	15.1
147.08109	1.4
147.11705	11.0
149.09648	3.3
149.13272	8.8
151.11201	1.4
155.08513	3.1
156.09344	2.0
157.10135	8.8
158.10956	0.8
159.08067	1.3
159.11702	20.6
160.12575	0.6
161.09657	4.1
161.13260	11.0
163.11177	2.3
163.14841	3.5
169.10135	5.8
170.10789	0.6
171.11679	8.6
172.12450	0.7
173.09621	2.5
173.13283	12.2
174.10492	0.6
175.11203	5.3
175.14789	3.9
177.12740	2.8
179.14244	0.6
181.10136	0.9
182.10896	1.7
183.11713	5.2
185.13257	6.1
187.11220	2.4
187.14824	19.8
189.12820	4.1
189.16393	16.4
191.14296	1.7
196.12407	1.1
197.13239	6.5
198.13994	0.7
199.14839	3.8
201.12759	2.3
201.16386	8.1
203.14244	1.5
203.18024	2.6
205.15810	0.7
209.13454	0.6
211.14830	10.8
213.12816	0.7
213.16368	4.0
215.14354	4.1
215.17966	2.3
217.15898	1.1
225.16473	5.1
227.17950	9.1
229.15906	3.9
229.19516	9.3
239.17836	1.4
241.19537	0.7
243.17439	2.5
243.20901	0.6
257.19556	1.0
257.22641	12.2
267.21088	23.2
285.22134	100.0
286.22461	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2215
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
53.03945	3.5
55.01870	3.2
55.05519	9.0
65.03940	2.9
67.05505	20.9
69.03430	2.6
69.07078	9.2
69.13752	2.0
69.14156	12.4
71.58150	1.3
79.05500	24.3
81.07065	87.0
83.04990	1.6
83.08625	5.0
85.06540	2.2
91.05482	16.5
93.07046	34.8
95.04974	4.7
95.08617	32.9
97.06516	3.2
105.07040	37.9
107.08607	21.3
109.06519	8.2
109.10165	17.3
111.08064	5.3
117.07019	4.8
119.08585	35.5
121.06519	3.3
121.10155	15.2
123.08058	2.4
123.11735	2.6
128.06331	1.8
128.54877	1.3
129.07022	5.0
131.08582	19.6
133.10139	23.1
135.08055	2.3
135.11685	10.3
137.09637	4.3
142.07703	3.5
143.08559	10.6
144.09396	1.8
145.10135	19.8
147.08083	2.7
147.11723	15.4
149.09558	1.8
149.13278	5.5
151.03915	1.5
151.11205	1.6
155.08553	6.2
156.09262	1.7
157.10147	13.5
159.11691	17.5
161.09615	3.9
161.13266	10.6
163.11145	2.0
168.09462	2.1
169.10129	10.8
171.11731	13.8
173.13254	10.8
175.11211	3.6
175.14835	14.7
177.12752	4.7
183.11653	7.1
185.13283	9.0
187.14789	8.0
189.12790	2.6
189.16385	2.7
191.14293	4.0
191.61075	1.4
197.13242	9.8
199.14880	11.1
201.12744	3.4
201.16440	3.4
203.14372	6.7
204.15152	5.2
205.15953	1.6
211.14772	12.0
213.16400	3.1
215.14360	3.1
215.17926	1.6
217.15918	7.8
225.16411	5.9
227.17934	7.9
229.15892	4.2
229.19527	2.2
239.18001	5.8
241.19565	1.6
255.21097	1.9
257.22708	4.7
265.90765	1.3
267.21115	29.9
285.11325	1.6
285.22150	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2213
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
53.03930	2.0
55.01862	1.4
55.05511	11.0
57.07063	2.0
60.27493	1.1
65.03938	1.7
66.12589	1.3
67.05504	18.0
69.03419	1.8
69.07071	13.7
70.06599	1.8
70.62647	3.9
71.04995	3.3
79.05495	18.3
81.07061	56.2
83.04969	4.2
83.08623	5.8
84.08134	2.2
85.06544	2.3
91.05486	19.6
93.07046	25.8
95.04966	5.9
95.08613	27.4
97.06518	4.0
97.10165	1.8
99.08083	2.6
103.05454	1.5
105.07033	50.2
107.08603	30.9
109.06506	9.4
109.10167	18.9
111.08067	3.0
115.05376	1.4
117.06983	7.7
118.48548	1.4
119.08584	51.4
121.06508	2.7
121.10159	21.3
123.08052	5.3
123.11719	7.0
125.09629	2.9
128.06178	2.0
129.06999	5.3
130.07828	1.3
131.08572	18.3
133.10132	25.9
135.08044	4.1
135.11711	9.4
137.09598	2.8
139.11215	1.3
141.06958	2.2
142.07761	4.3
143.08563	13.8
144.09337	3.1
145.10129	25.3
146.11005	1.4
147.08009	2.7
147.11693	35.3
149.09642	7.4
149.13260	5.2
151.11180	3.6
155.08537	7.4
156.09317	5.3
157.10143	23.0
158.10954	1.8
159.11713	26.4
161.09584	3.9
161.13266	18.5
163.11148	4.3
165.12732	1.8
168.09335	1.3
169.10132	12.6
170.10928	3.0
171.11700	18.7
172.12418	1.4
173.09622	3.6
173.13274	15.2
175.11177	4.8
175.14847	7.6
177.12700	4.0
181.10101	2.3
182.10870	1.8
183.11725	10.4
184.12531	2.3
185.13309	10.4
187.11201	2.6
187.14787	8.6
189.12799	7.7
189.16365	3.5
191.14308	2.5
195.11642	1.3
197.13243	11.2
199.14832	10.3
201.12697	2.0
201.16418	6.1
203.14371	3.0
204.15106	9.7
205.15746	2.2
211.14838	17.0
213.16415	7.2
215.14325	3.9
215.17865	2.5
217.15894	2.6
225.16386	8.2
227.17981	15.1
229.15823	5.2
229.19553	1.5
241.19562	2.8
243.17401	1.9
257.22614	6.4
267.21082	29.5
285.22122	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2213
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
50.62810	3.0
53.03941	5.5
55.05508	20.0
57.07079	8.5
65.13635	3.4
65.32789	3.3
67.05509	28.4
69.03413	4.8
69.07073	59.3
69.64622	6.7
69.65029	15.3
71.04977	9.0
75.24236	2.9
79.05492	23.3
81.07062	52.8
83.04966	5.2
83.08605	12.2
85.06538	4.0
91.05487	30.0
93.07050	39.5
95.04959	11.8
95.08615	50.4
97.06544	18.4
97.10173	6.6
98.20816	4.2
99.08087	4.1
105.07034	83.7
107.08591	52.0
109.05927	2.9
109.06538	31.5
109.10163	41.4
111.08092	9.1
114.06673	4.2
115.05470	3.2
117.07024	13.7
119.08593	100.0
120.03133	3.1
121.06495	12.3
121.10139	40.1
123.11733	20.2
129.06984	8.2
131.08545	20.7
133.06313	3.6
133.10144	61.9
135.08060	15.8
135.11659	15.5
137.09624	5.0
137.13257	5.4
138.96236	3.2
143.08540	14.7
145.10117	37.9
146.07262	7.2
147.07980	4.6
147.11685	29.2
149.09535	5.2
149.13252	6.2
153.06981	3.7
155.08528	7.3
156.09302	5.2
157.10141	16.4
159.08041	4.2
159.11702	21.6
161.09619	86.4
161.13231	9.6
163.14799	3.4
169.10146	12.4
170.10916	5.2
171.11696	12.3
173.13251	12.5
175.11276	4.4
175.14832	61.0
177.16383	11.5
182.10912	4.5
183.11691	10.2
185.13329	17.5
187.14856	7.9
193.15895	11.6
197.13249	15.5
199.14780	6.3
201.16441	4.1
203.14429	3.8
211.14798	15.2
213.16331	3.7
215.17854	6.4
225.16429	4.0
227.05061	4.0
227.17867	3.9
228.91547	4.2
267.21069	21.7
280.45398	3.7
285.18903	5.1
285.22156	76.9
285.25421	5.4
285.29620	4.5
286.71124	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	285.1123
Annotation	2'-Hydroxy-4,4'-dimethoxychalcone
Peak:m/z	Relative Intensity
53.03945	0.5
53.34456	0.4
57.03434	0.4
57.07074	0.9
63.00048	0.8
65.03941	1.3
67.05505	1.8
69.07086	0.7
71.50662	0.8
72.02696	0.5
79.05502	2.7
81.07062	1.6
83.08614	0.7
85.52848	0.5
91.05490	1.5
93.07042	1.2
95.04969	11.5
95.08617	1.8
98.98447	0.7
103.05466	1.6
105.07053	2.5
107.08591	1.2
108.02107	1.4
109.06515	1.3
109.10200	0.5
109.32487	0.4
118.04169	2.8
119.08579	1.6
121.06515	2.0
121.10139	0.7
122.03497	0.4
123.04433	1.6
131.08583	1.1
133.06500	21.6
133.10077	0.5
137.05983	2.0
143.08588	0.6
145.10130	0.6
147.11690	0.6
149.05972	0.7
151.03915	100.0
152.04288	0.9
155.08417	0.5
157.10193	0.6
157.62239	0.5
159.11743	0.6
161.05995	46.3
169.05002	4.6
177.05460	3.0
179.58168	0.5
181.06511	1.2
183.11633	0.5
185.13316	0.5
193.06563	0.5
196.08832	0.6
208.08826	1.0
209.06021	0.7
224.08282	3.9
227.07129	0.7
235.07591	0.5
239.10680	8.7
252.07768	0.7
267.10156	3.1
267.21124	0.8
270.08884	2.8
284.29526	1.8
284.32980	0.6
285.11234	77.6
285.17841	2.1
285.22098	1.8
285.29889	0.9
285.33398	0.9
286.11646	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	284.1286
Annotation	N-P-Coumaroyltyramine
Peak:m/z	Relative Intensity
53.03955	1.8
53.19529	0.3
55.01882	0.4
57.03442	0.4
65.03944	0.6
67.05513	1.1
68.05850	0.7
69.07071	0.4
70.06596	0.4
70.84961	0.5
70.85299	0.4
72.08167	0.4
77.03933	0.5
79.05487	1.3
80.05838	0.4
81.03436	0.7
81.07066	0.6
82.07418	0.3
83.05010	0.3
84.05328	0.3
86.09725	1.7
86.18533	0.3
91.05492	13.3
92.05829	0.4
93.07053	8.8
94.07393	0.5
94.27139	0.3
95.04993	1.6
95.08620	0.3
96.05307	0.3
97.06553	0.3
103.05473	6.7
105.04508	0.5
105.07059	0.3
107.04964	7.4
108.05301	5.1
108.08916	0.3
111.04431	0.3
114.93242	0.3
117.07057	0.4
118.07371	0.4
119.04951	21.2
121.06517	44.0
121.10140	0.5
122.06860	0.6
122.10508	0.7
136.12016	0.3
138.09134	0.3
145.06511	0.4
145.10158	0.3
146.06860	0.8
146.10481	0.8
147.04422	100.0
148.04782	0.9
152.07857	0.5
159.07599	0.4
163.11211	0.3
164.07100	1.6
164.11516	0.8
174.09972	1.1
175.07147	0.6
189.09137	0.7
190.09534	0.7
192.11081	0.7
194.74844	0.3
213.24678	0.3
238.09541	0.3
253.11815	0.9
266.14471	0.4
269.11249	0.6
284.12943	17.1
284.15546	0.6
285.13364	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.4
56.05027	2.0
57.03443	1.6
57.07077	1.1
58.06603	0.9
59.05002	1.8
61.02927	4.1
67.05495	1.2
68.05038	2.5
69.03422	1.0
69.07064	2.3
70.02966	0.8
70.06264	1.2
70.06607	16.2
71.05000	8.7
71.49179	0.8
71.49549	0.8
72.08164	12.0
79.05490	3.2
80.05026	1.2
81.04535	1.1
81.07063	12.5
83.06116	4.9
83.26063	0.8
84.04522	4.2
84.08156	23.7
85.06590	0.7
86.09719	25.0
88.03994	1.5
89.06034	2.1
91.05478	2.5
93.04522	3.3
94.40158	0.9
95.06102	100.0
96.08170	0.8
97.07619	1.0
98.06066	1.8
103.05518	1.0
107.06101	4.5
110.07175	27.0
111.94437	0.7
112.08743	21.1
113.09636	1.7
115.08713	1.0
116.07133	1.2
117.70631	0.7
119.04954	0.8
119.06053	1.9
120.08141	1.6
121.03977	1.1
121.07640	1.3
122.07139	1.5
125.37682	0.9
129.10265	10.4
129.13974	1.1
130.06529	1.9
132.10173	1.4
133.06714	1.4
133.07623	7.8
136.07593	5.2
136.08720	8.3
138.06622	2.6
147.04424	0.9
148.11244	1.0
149.10754	3.4
151.12285	1.2
152.05696	3.6
154.09775	15.3
163.12299	3.0
175.12329	97.5
176.12627	0.9
177.00822	0.9
178.13434	3.3
181.13435	1.2
186.12444	1.4
192.14999	5.3
193.13393	11.3
210.16028	2.9
216.14955	1.4
223.15617	3.7
225.15976	5.1
234.16029	36.6
242.18744	0.8
251.15150	3.9
252.17099	17.6
253.16730	1.4
266.18478	1.1
275.67203	1.2
284.16223	2.4
284.19727	65.2
284.29468	3.0
285.20145	1.5
290.16220	1.3
300.73190	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0992
Annotation	Guanosine
Peak:m/z	Relative Intensity
51.21027	0.2
53.55981	0.2
55.01874	0.3
56.96564	0.3
57.03437	0.4
57.73584	0.2
58.99864	0.2
67.14025	0.2
67.24162	0.2
69.71125	0.2
70.06610	1.0
71.48960	0.3
77.31564	0.2
84.08145	0.3
85.02900	0.3
86.09714	2.5
92.59685	0.2
97.25330	0.2
99.99790	0.2
101.00890	0.9
109.05122	0.4
110.03540	2.4
110.07125	0.3
116.98719	0.2
119.01918	0.9
128.04584	0.6
134.04588	0.2
135.03030	7.6
136.01416	0.2
140.98853	0.3
145.03493	0.3
152.05685	100.0
153.04091	5.3
153.06020	0.5
158.06705	0.3
158.99922	0.4
160.08220	0.3
170.03046	0.4
172.08199	0.4
176.07732	0.3
177.01007	1.3
178.01079	0.3
190.09229	1.0
201.01031	0.5
208.10310	1.1
212.11366	0.4
217.04163	0.4
219.01968	2.0
225.01044	0.3
238.09157	0.3
243.02054	2.0
256.10339	1.2
258.11856	0.5
261.03091	13.5
262.03143	0.6
266.08899	0.4
270.04553	0.3
284.04764	0.3
284.09772	2.7
302.10724	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.9
55.01864	10.6
55.05511	5.6
57.16563	3.5
61.02926	5.2
67.05486	4.7
67.54473	3.3
68.99818	3.1
69.03436	25.4
71.04980	5.4
73.02917	8.1
73.71514	3.3
76.21521	3.5
81.03426	27.2
81.07041	10.1
85.02382	4.7
85.02908	88.5
87.00826	39.9
93.07033	4.2
95.08582	9.0
97.02901	51.4
97.10220	3.9
99.04476	20.2
101.70586	3.7
105.01874	60.8
105.07055	6.0
107.08611	4.8
108.04485	12.5
109.02894	30.8
109.10191	5.4
110.10532	3.7
117.01825	4.8
119.08579	7.4
126.05500	5.5
127.03922	100.0
144.08913	5.8
145.04968	69.6
146.10464	4.1
152.59912	3.9
159.02837	24.1
159.11819	5.8
160.12102	5.3
171.11588	4.0
172.11972	5.6
174.13586	4.2
200.15398	4.9
214.16769	5.6
215.17284	3.5
228.18329	5.9
231.05026	31.7
249.06113	10.5
283.24054	3.6
284.24548	50.0
284.29163	3.9
292.91425	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	284.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.2
55.01885	5.0
55.05503	7.4
57.03434	11.6
61.02931	5.4
63.75816	5.0
64.70895	4.4
66.51653	4.3
67.05524	9.3
69.03436	46.1
69.07062	11.3
70.01572	10.1
70.01946	12.1
71.04988	8.8
79.05480	5.4
81.03423	29.0
81.07054	19.0
82.07385	5.9
85.02914	73.5
87.00816	41.9
91.05507	7.9
93.07026	10.7
94.07444	5.9
95.08605	23.5
97.02898	57.6
98.06058	4.7
98.21490	5.3
99.04463	23.0
105.01874	46.7
105.07057	11.3
106.07340	7.6
107.08599	14.2
108.04491	7.4
108.08924	6.2
109.02891	13.1
109.10146	11.7
110.95152	4.2
117.23675	5.5
119.08522	9.5
120.08918	8.9
123.11694	5.1
127.03929	100.0
132.08842	6.0
133.10133	8.9
145.04967	69.7
145.10147	6.8
146.10559	5.3
147.11676	7.7
159.02870	16.0
159.11690	9.7
160.12025	8.1
171.11800	5.5
172.12018	5.8
174.13646	6.2
186.13530	5.4
188.15161	5.3
190.16592	4.8
200.15392	6.9
203.60555	4.4
211.28969	5.3
213.16426	5.5
214.16612	7.7
228.18294	8.3
231.05023	42.0
237.56960	5.5
249.06059	13.3
283.24081	6.3
284.21194	9.6
284.24518	69.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2057
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
53.03935	3.5
53.42264	1.8
55.01873	2.1
55.05521	9.0
57.07074	3.3
61.22367	1.8
65.03944	2.0
67.02148	1.6
67.05238	1.6
67.05511	20.8
69.03421	3.2
69.07075	11.6
71.04986	4.0
79.05499	21.5
81.07068	27.7
83.04974	4.3
83.08630	6.0
86.80789	1.7
89.06033	2.2
91.05486	23.5
93.07053	31.7
95.04982	12.1
95.08064	2.5
95.08620	26.0
97.06520	3.1
98.20635	2.9
105.07036	45.6
107.04951	2.8
107.08595	26.4
109.06518	8.6
109.10159	15.3
116.06242	1.8
117.07022	10.6
119.08584	38.7
121.06510	7.1
121.10152	57.3
123.08059	5.2
123.11697	7.2
128.06247	4.2
129.06985	4.6
130.07796	3.7
131.08568	34.5
131.51686	1.6
133.10133	28.0
135.08067	8.5
135.11694	10.3
142.07780	7.9
143.08582	18.7
143.42453	1.7
144.09328	4.8
145.06514	2.0
145.10132	39.5
146.07288	2.5
147.08014	2.5
147.11673	12.7
149.09631	3.1
149.13275	2.9
155.08525	6.1
156.09320	6.0
157.10153	18.9
158.10896	6.1
159.08110	4.1
159.11707	14.6
161.09637	25.4
161.13264	6.3
163.11198	5.7
163.14761	1.7
165.06975	2.9
167.08617	2.8
168.09332	2.9
169.10141	6.9
170.10899	3.7
171.08032	2.4
171.11691	14.7
173.09642	5.4
173.13284	49.8
175.11224	4.1
175.14847	7.2
179.08539	8.2
180.09409	3.8
181.10182	6.0
182.10922	2.1
183.11714	9.3
185.09666	4.6
185.13228	10.5
187.11157	2.3
187.14851	7.5
189.12767	3.4
191.14394	2.6
193.10139	4.1
194.10950	7.6
195.11703	10.0
197.13287	3.8
199.11189	3.7
199.14821	8.9
201.12767	2.4
201.16360	3.7
203.14272	2.2
208.12469	3.4
209.13298	18.2
210.13976	4.1
211.14871	2.2
213.12814	7.1
213.16412	3.5
215.14256	2.4
223.14803	11.9
225.16422	6.4
227.14403	10.5
235.14723	3.4
237.16313	2.8
239.18010	3.4
239.90280	1.9
241.15872	4.1
244.82999	2.0
251.10335	1.9
255.21176	9.2
260.58694	1.7
265.19565	27.2
266.12500	3.4
283.00458	1.9
283.20587	100.0
283.28091	3.8
284.20914	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	283.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
70.01768	2.6
70.06595	1.6
72.08147	1.6
74.10194	0.5
77.79728	0.5
78.50686	0.5
84.08147	1.4
86.09730	1.2
87.04465	2.6
89.06036	100.0
91.07559	0.6
95.06100	0.8
98.21468	0.6
102.05421	0.5
107.07091	1.5
120.08115	1.7
129.10252	0.8
133.08607	33.3
145.97546	0.6
151.09702	1.0
174.80370	0.5
177.11273	5.5
194.02605	0.5
195.12341	1.0
233.97075	0.6
239.14952	2.0
283.17709	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	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.1
53.37447	0.9
54.51197	0.8
55.01872	4.7
55.05520	12.1
57.03438	11.3
57.07062	3.7
57.12115	0.8
57.35456	0.9
65.03931	1.9
67.05179	1.4
67.05510	18.7
69.03407	1.7
69.07066	10.1
70.07405	1.0
71.04978	3.5
71.08631	2.1
73.02920	1.7
79.05495	28.4
81.03416	2.4
81.06596	1.3
81.07061	22.4
83.04966	3.5
83.08617	11.7
84.08937	1.2
89.06036	7.0
91.05477	11.4
93.07045	46.4
95.04981	8.8
95.08611	41.4
97.02888	5.0
97.06528	5.0
97.10135	2.4
99.04442	3.2
100.07632	1.0
103.05435	1.7
105.07030	9.4
107.04960	10.4
107.08598	30.7
109.06566	2.2
109.10158	5.3
111.04459	1.8
111.08082	1.7
113.09692	0.9
114.09116	1.3
117.07018	9.3
119.08587	9.4
121.06514	8.0
121.10139	14.6
125.05984	3.6
129.06915	1.0
130.07748	2.2
131.08556	1.6
133.08585	1.8
133.10124	2.8
134.09613	1.5
135.08113	1.9
135.10036	1.7
135.11696	50.9
136.12038	1.6
139.07541	1.7
143.08542	1.9
145.10132	30.8
153.12694	1.2
163.11185	74.8
164.11543	1.3
173.09599	1.4
181.12238	15.0
185.13042	1.1
209.11679	2.4
227.12785	100.0
228.13211	1.0
248.24605	1.0
266.25574	1.3
283.15402	22.1
283.22183	1.8
283.28711	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	283.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97265	1.3
53.03943	2.8
55.01871	5.3
55.05517	17.3
55.17339	1.3
57.03438	14.3
57.07072	5.3
67.05511	28.3
69.03416	2.4
69.07072	14.1
70.57507	4.1
71.04984	3.2
71.08607	1.9
77.68226	1.3
79.05501	32.6
81.03413	4.3
81.07066	32.2
83.02172	1.2
83.05000	6.2
83.08614	9.5
85.06539	1.7
85.10167	2.0
88.34258	1.2
89.06035	11.1
91.05485	19.0
93.07053	46.8
93.11562	1.2
95.04964	9.3
95.08617	45.5
97.02878	7.3
97.06523	5.8
97.10165	1.7
97.56435	1.2
98.10515	1.7
99.04459	5.7
105.07033	13.1
107.04974	12.7
107.08603	34.4
109.06516	2.9
109.10167	3.1
111.04430	3.0
111.08070	1.9
117.07023	13.8
119.08607	14.4
121.06498	11.5
121.10162	17.6
123.11741	2.4
125.05972	4.0
129.07036	2.9
130.07790	3.5
131.08553	6.2
133.08578	3.5
133.10146	9.8
133.77954	1.3
135.08041	4.0
135.10103	2.5
135.11705	54.7
136.12054	1.9
143.08498	2.2
145.10136	37.1
151.11116	2.0
155.08530	1.7
157.10074	1.9
163.11198	80.8
173.09599	4.2
181.12228	16.5
191.10675	4.2
199.14729	2.0
209.11710	4.0
224.22974	1.6
227.12804	100.0
248.24602	2.4
283.15405	32.8
283.20404	3.0
283.23560	1.9
283.28589	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	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.01880	6.3
55.05516	13.8
57.03440	11.9
57.07077	1.7
67.05181	1.7
67.05510	23.2
69.03418	3.0
69.07074	8.8
69.22667	2.7
69.23082	8.1
70.25194	1.0
71.05001	2.9
79.05496	31.3
81.03427	3.8
81.07058	24.7
83.04983	5.5
83.08638	10.3
85.23603	1.2
89.06040	4.7
91.05482	13.7
93.07052	47.1
94.65732	1.0
95.04992	7.8
95.08611	40.1
97.02901	5.9
97.06535	5.8
99.04445	5.8
105.07036	10.4
107.04967	12.6
107.08607	32.2
109.06550	1.9
109.10152	3.0
111.04436	3.5
113.09686	1.1
117.07020	9.6
119.08596	13.5
121.06501	7.6
121.10152	15.6
125.05984	3.8
129.07022	1.8
130.07793	3.3
131.08559	2.1
133.08618	2.2
133.10156	4.5
135.08086	2.6
135.11699	52.9
139.07576	2.3
143.08575	2.6
145.06471	1.7
145.10129	31.8
153.12718	2.5
155.08569	2.1
157.10123	1.7
162.70822	1.1
163.11188	76.2
173.09613	2.3
181.12230	14.9
191.10738	2.1
209.11656	1.7
209.13419	1.3
220.08388	1.6
227.12787	100.0
228.13124	2.1
255.15822	1.2
266.12494	1.7
283.00327	1.4
283.15369	24.4
283.19968	5.2
283.26239	3.2
296.91968	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
53.60553	0.8
55.01878	4.5
55.02087	0.9
55.05263	1.3
55.05513	14.9
57.03198	1.2
57.03442	13.8
57.07067	2.8
59.11152	0.9
65.03918	1.1
66.95015	0.9
67.05511	24.5
68.18946	0.9
69.03426	2.1
69.07078	8.1
69.26818	5.1
69.27225	2.8
71.04982	3.6
73.02908	2.2
74.18544	0.8
74.84328	1.0
79.05496	34.5
81.03426	4.4
81.07063	25.1
83.04996	5.4
83.08624	9.2
85.06492	1.1
89.06021	1.7
91.05492	12.4
93.07048	47.7
95.04962	9.3
95.08611	39.6
97.02872	3.9
97.03451	1.0
97.06525	4.6
97.10147	1.3
99.04449	4.1
103.05453	1.6
105.07037	12.5
107.04957	12.6
107.08596	32.1
109.06493	1.7
109.10176	4.6
109.88125	0.9
111.04450	5.2
111.08099	2.2
112.50270	0.8
115.05540	1.0
117.07034	13.2
119.08588	13.2
121.06509	6.8
121.10149	17.6
123.08010	1.4
123.11718	1.2
125.05988	2.5
129.06952	1.1
130.07834	1.5
131.08533	2.3
133.10139	4.8
135.08037	3.2
135.11697	57.3
139.07526	2.5
143.08553	2.4
145.06509	1.2
145.10135	34.6
153.12711	2.1
155.08641	1.0
163.11192	75.9
164.11507	1.9
173.09593	3.4
181.12234	18.3
191.10628	3.5
209.11749	3.8
227.12798	100.0
228.13202	1.3
246.03773	2.5
266.12601	1.0
280.93088	0.9
283.00378	5.8
283.15359	25.3
283.20462	1.9
283.26276	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	283.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.1
55.01869	7.8
55.05515	16.6
56.05026	1.6
57.03445	16.3
57.07080	4.0
67.05511	32.4
67.91676	2.1
69.03441	2.2
69.07085	11.6
71.04995	4.5
71.49799	1.8
71.50819	1.9
75.98873	1.4
79.05499	40.0
81.03418	4.2
81.07070	32.2
83.04988	8.7
83.08624	12.0
85.02918	2.5
85.06564	2.2
89.06050	6.0
91.05490	22.0
93.07053	58.1
95.04974	9.9
95.08614	48.6
95.68987	2.0
97.02908	4.6
97.06546	7.1
97.10173	2.7
99.04465	7.1
103.05464	1.9
105.07021	15.7
107.04977	15.3
107.08605	42.0
107.17201	1.7
109.06519	3.4
109.10155	6.1
111.04462	6.7
111.08087	2.3
117.07030	19.4
119.08592	15.2
121.06511	9.0
121.10149	21.2
123.11667	1.9
125.06006	4.5
129.07028	2.7
130.07802	3.2
131.04912	2.0
131.08585	8.0
131.78290	1.5
133.08713	2.0
133.10144	7.2
135.08072	2.9
135.11703	56.0
135.12738	3.4
136.12080	1.7
139.07576	2.6
143.08543	4.1
145.10150	40.4
153.12813	3.2
155.08559	2.9
157.10156	4.9
163.11201	83.6
173.09628	5.5
173.13261	7.5
181.10431	2.5
181.12242	21.1
183.11671	2.3
185.13216	1.7
191.10718	6.4
191.14272	3.1
191.39084	2.0
192.08931	1.7
195.11748	2.6
199.14777	1.9
209.11682	3.0
209.13403	2.4
223.14922	3.2
227.12801	100.0
265.19534	3.8
266.12674	5.0
283.00174	2.8
283.15369	29.4
283.20120	9.4
283.28281	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	283.1541
Annotation	1alpha-Hydroxyalliacolide
Peak:m/z	Relative Intensity
53.03943	7.7
55.01876	19.1
55.05519	13.9
57.03442	23.0
57.07050	1.8
59.65758	1.1
65.03931	3.4
67.05509	69.7
69.03447	1.1
69.07071	12.3
71.04983	5.5
71.50690	1.8
73.02922	1.6
79.05499	54.2
81.03419	16.2
81.07058	43.6
83.04494	2.0
83.04987	34.1
83.08614	5.4
85.02886	4.0
85.06541	6.2
89.06016	2.6
91.05486	36.4
93.03397	2.0
93.07047	54.2
95.04972	16.7
95.08607	18.2
97.02840	1.4
97.06534	14.8
99.04443	5.2
105.04520	1.4
105.07046	14.8
107.04964	43.0
107.08602	23.0
109.06518	5.3
109.10147	6.5
111.04448	44.3
111.08086	11.8
113.05991	1.5
115.05457	2.2
117.07033	21.3
119.08598	19.2
121.06518	4.8
121.10146	48.6
123.04445	2.7
123.08069	3.4
123.11720	2.7
125.05991	4.6
129.05505	2.3
129.06998	8.0
130.07805	4.7
130.44887	1.3
131.04909	3.9
131.08588	18.0
133.10109	8.2
135.08040	3.1
135.11691	39.4
143.08589	2.7
145.06502	9.7
145.10126	48.7
147.08063	4.6
147.11690	2.5
149.09628	10.7
151.11214	2.6
153.06949	3.0
153.12753	13.5
155.08545	11.8
157.10132	1.6
163.11186	68.6
173.09642	35.9
181.12242	32.1
191.10684	39.7
191.12187	0.9
202.82500	1.2
209.11697	15.2
227.12767	26.2
265.14389	4.7
283.15408	100.0
283.20572	4.5
283.28250	2.5
284.15753	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	283.1541
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03936	8.4
54.44044	2.3
55.01876	26.6
55.05516	18.9
57.03438	16.0
65.03950	4.4
67.05507	66.3
69.07061	16.4
69.43743	13.2
71.04984	8.5
79.05498	54.9
81.03421	12.9
81.06594	2.9
81.07061	45.6
83.04987	48.9
83.08617	7.7
85.02893	6.4
85.06540	6.5
91.05488	30.0
93.03401	2.5
93.07047	58.3
95.04964	19.9
95.08620	19.4
97.02896	2.9
97.06539	19.8
99.04483	9.8
103.05503	2.3
105.07023	16.2
107.04959	36.5
107.08607	36.2
109.06527	4.5
109.10184	10.3
109.10827	2.0
111.03719	3.8
111.04453	74.6
111.08086	22.4
115.05426	2.6
117.07028	19.0
119.08585	24.6
121.06505	7.2
121.09325	3.5
121.10148	40.9
123.08084	4.2
123.11808	2.4
125.05982	5.4
125.09725	2.1
126.96838	1.7
129.05467	2.1
129.06996	5.6
130.07750	3.0
131.04967	4.1
131.08578	15.2
132.55225	1.8
133.10136	3.0
135.08113	4.2
135.11688	42.7
145.06496	8.0
145.10121	42.8
147.08037	4.4
147.11682	5.2
149.09599	10.6
153.12752	26.2
155.08546	10.7
157.10146	2.3
163.06064	1.8
163.09880	3.3
163.11197	61.1
169.10205	2.3
173.09621	24.9
181.12245	48.8
187.14822	2.1
191.10661	45.8
192.08907	4.8
209.11668	17.4
209.13422	2.1
227.12779	33.6
235.10699	5.1
236.07861	4.3
251.10190	7.0
265.19641	2.3
266.12595	16.9
283.15408	100.0
283.20602	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	283.133
Annotation	Stemofuran K
Peak:m/z	Relative Intensity
51.02386	0.2
51.91216	0.1
53.03954	0.8
55.01875	0.5
55.05509	0.3
57.03434	0.3
67.05505	0.8
69.07070	0.3
70.06625	0.1
71.41454	0.2
72.08160	0.2
73.32645	0.1
77.03937	0.3
79.05500	2.3
81.03429	0.4
81.07068	0.5
83.04966	0.2
86.09714	0.1
91.05484	1.2
93.07032	0.9
95.04978	1.4
95.08543	0.1
97.06496	0.2
100.94131	0.1
103.05479	0.5
105.04525	0.4
105.07044	0.7
106.04253	0.1
107.04959	100.0
108.05302	0.6
109.06485	0.1
111.04430	0.2
113.05920	0.1
115.05447	0.9
116.06251	0.4
117.07027	2.2
119.04966	0.3
119.08607	0.4
120.08109	0.1
121.02901	0.1
121.06534	0.9
121.10158	0.5
124.05184	0.2
127.05446	0.3
128.06226	0.5
129.06987	0.8
130.07788	0.1
131.04924	1.4
131.08551	0.4
133.06537	0.6
133.10115	0.3
135.04446	0.1
135.11703	0.5
136.05191	1.0
137.06007	0.2
139.07561	0.3
143.04945	0.9
144.05728	1.2
145.06490	12.5
145.10144	0.7
146.07303	1.2
147.08063	0.3
149.09584	0.1
151.07547	9.2
155.06046	1.6
157.06406	0.2
158.07277	5.1
159.04424	1.8
159.08078	0.8
161.05989	1.0
162.06761	0.2
163.11203	0.6
165.07007	0.2
165.09120	0.2
173.05934	0.2
173.09586	0.3
174.06772	7.0
175.07593	0.6
176.08368	1.4
177.09128	2.5
178.07770	0.2
181.06474	0.2
181.12097	0.1
189.09116	14.8
190.09854	0.4
191.08563	0.4
191.10672	0.4
194.07300	0.3
195.07985	0.2
203.08612	0.1
207.08102	0.5
208.08875	0.2
209.09627	0.9
209.11758	0.3
210.06783	0.2
211.07597	0.3
219.08072	0.4
220.08887	0.3
221.09671	0.8
222.06798	0.2
223.07607	0.2
224.08336	0.3
225.09084	0.7
227.12796	0.3
236.08391	0.4
237.09111	5.1
239.07028	0.2
240.07739	0.1
250.09888	0.2
251.10683	1.1
252.11469	9.4
253.08615	1.1
253.11346	0.2
254.09253	0.7
255.10168	0.3
268.10947	3.6
283.13269	46.4
284.13519	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13985	0.6
56.96556	1.1
58.99872	23.0
66.59269	0.7
67.05501	1.2
69.03426	1.5
70.06590	1.4
70.52422	2.2
72.08173	1.4
77.00904	3.2
77.54237	0.7
79.05470	0.9
84.04514	0.8
85.02893	1.5
85.06556	0.7
85.34849	0.6
88.39398	0.7
90.20416	0.7
91.05479	0.9
99.66740	0.7
108.47613	0.8
109.01417	1.8
109.91171	0.7
112.08736	0.7
113.00874	1.2
120.08221	1.5
125.00867	8.4
127.02428	14.6
130.42639	0.8
131.01900	1.1
139.42517	0.8
143.01917	35.0
145.03477	100.0
146.03677	1.1
149.04466	1.2
151.08090	1.1
153.00340	1.0
161.02965	14.0
163.04543	55.1
164.04637	0.7
167.05554	3.9
168.05098	2.0
169.03389	0.9
169.07176	0.9
171.01381	8.7
185.06631	3.1
187.08206	1.2
189.02458	20.6
207.03523	2.7
209.03006	1.0
209.39981	0.9
211.04539	7.1
221.02992	2.3
229.05661	5.1
237.02464	7.8
239.04012	31.8
247.00989	1.7
255.03531	9.4
257.05078	31.3
265.01947	13.3
283.03018	53.4
301.04059	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	283.03
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99868	17.8
69.03411	1.1
70.06585	1.3
70.79014	1.3
70.79343	0.9
77.00925	3.7
80.59242	0.6
82.01446	0.6
85.02939	0.7
94.99821	0.9
109.01429	2.6
113.00890	1.5
125.00858	8.5
127.02425	16.6
131.01897	0.9
143.01904	31.8
145.03470	100.0
146.03581	1.3
149.04491	1.1
153.00346	0.9
161.02980	10.6
162.51096	0.7
163.04529	47.8
164.04678	1.3
164.41231	0.7
167.05542	4.0
168.05099	1.0
169.03477	1.4
171.01379	9.0
185.06580	3.6
189.02454	20.9
189.07730	0.9
190.02446	0.7
193.03392	0.9
207.03528	3.7
209.03058	1.5
211.04536	7.3
219.01466	0.7
221.03036	1.7
229.05588	5.8
234.05873	0.6
237.02411	7.6
239.02129	0.5
239.04007	30.2
255.03484	7.6
257.05078	33.1
262.05566	0.7
265.01935	14.6
283.02991	55.3
284.03171	1.3
301.04034	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1492
Annotation	N-Methylasimilobine
Peak:m/z	Relative Intensity
54.60865	0.3
55.05514	0.6
69.16021	3.8
84.80170	0.4
98.97602	0.7
133.92494	0.3
152.06265	0.4
163.46811	0.4
165.07005	2.5
167.08745	0.5
177.06958	0.4
178.07777	0.7
179.08560	4.7
180.09325	2.7
181.06557	0.4
189.06966	3.5
190.07776	13.4
191.08562	100.0
192.09042	2.0
193.06544	0.5
201.07039	0.5
202.07906	0.5
203.08549	0.4
204.09326	0.5
205.06439	0.4
205.10123	3.8
207.08055	3.4
208.08853	7.9
218.07303	2.5
219.08060	73.9
220.08818	10.9
222.06708	0.6
233.09676	1.2
235.07498	0.5
236.08339	16.3
239.10771	0.6
251.10684	78.6
252.11090	0.8
265.12488	0.6
282.14896	52.5
283.15265	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1199
Annotation	2'-O-Methyladenosine
Peak:m/z	Relative Intensity
55.01868	0.7
55.05509	0.5
56.05029	0.9
56.96557	0.3
57.03421	0.6
60.04516	0.7
61.01119	0.4
61.02940	0.4
67.05513	0.5
69.03429	1.9
70.06596	4.6
71.04986	0.5
71.49587	0.4
72.08161	2.9
73.08497	0.4
74.06086	0.5
79.05470	0.5
81.04546	0.6
81.10345	0.3
83.06099	0.4
84.04500	1.4
84.08149	3.8
85.02890	1.1
86.09709	1.9
87.04468	0.8
87.05600	0.5
88.03994	0.8
91.05464	0.4
94.04048	0.5
95.06091	1.2
97.02927	0.6
98.06064	0.7
98.97586	0.9
101.06026	0.9
103.05499	0.4
103.07598	0.7
104.05314	0.5
107.04949	0.3
110.07158	1.7
112.08729	0.6
112.11245	0.5
114.05515	0.3
119.03568	1.6
119.04951	0.4
120.08128	2.6
121.06567	0.5
121.08451	0.5
122.07159	0.5
123.08000	1.7
123.16742	0.3
124.04998	0.3
124.07504	0.5
124.08330	1.6
129.05460	0.3
129.10249	1.4
133.05046	0.3
134.09645	0.5
136.06194	100.0
137.04628	0.5
137.05768	0.3
137.07928	0.5
147.04424	0.3
150.07759	6.5
181.13472	0.3
182.46004	0.3
195.04298	0.3
195.11311	0.8
213.53705	0.3
219.08131	0.5
234.10541	0.4
265.12259	0.3
282.01120	0.7
282.11703	3.8
282.14731	0.5
282.19128	1.4
282.22159	0.7
283.00485	0.3
300.06110	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
60.93015	0.2
69.64073	0.6
69.64480	1.3
86.64826	0.2
97.61367	0.2
141.07028	0.3
141.88940	0.3
165.07051	1.8
167.08572	0.7
177.07021	1.0
178.07822	1.1
179.08578	1.8
180.09306	1.8
181.06546	0.4
189.06929	1.8
190.07780	5.9
190.32651	0.3
191.08565	43.8
192.08908	0.6
193.06410	0.4
193.10120	0.2
194.07289	1.4
195.08078	1.8
201.06996	2.2
202.07784	0.4
203.08585	0.5
205.06552	1.0
205.10152	0.9
206.07008	0.3
207.08116	1.7
208.08867	5.1
218.07297	1.4
219.08069	51.8
220.08707	2.0
221.09587	0.6
223.11148	0.6
229.07639	5.3
233.09467	0.3
235.07549	0.3
236.05956	0.6
236.08322	9.9
236.10623	0.6
251.10686	100.0
252.10997	1.7
282.14908	24.7
283.15149	0.3
288.04178	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01138	0.5
55.05497	1.3
55.92268	0.4
56.05016	0.8
56.05833	0.5
56.44547	0.4
57.03432	0.5
57.88136	0.5
58.99852	1.0
60.04518	1.1
61.02943	0.5
67.05497	1.9
69.03431	3.5
69.07063	1.0
70.06605	3.8
70.73733	1.1
72.08160	7.0
73.08482	1.7
79.05498	0.7
84.04489	0.9
84.08141	5.2
85.02905	2.9
85.06570	0.5
86.09709	1.2
88.04002	4.6
91.05495	0.6
95.06116	0.7
97.02895	0.6
98.06060	6.4
98.97571	1.3
103.05475	0.6
105.89073	0.5
107.04942	1.7
109.10130	0.8
110.07180	0.7
110.97581	1.0
112.06845	0.8
112.07623	17.2
112.08748	0.7
113.07923	0.5
113.81289	0.5
116.07082	0.9
116.98647	0.7
120.08118	7.5
121.08462	9.0
122.04558	2.2
127.03929	1.0
129.10222	1.6
130.08646	0.6
131.02014	0.5
134.09657	0.5
136.06171	1.3
137.07925	0.7
140.05563	18.1
141.05710	2.9
143.01918	1.0
144.05064	0.8
145.03462	1.7
145.04959	1.2
150.07758	3.9
152.05608	1.6
158.06642	100.0
158.99800	0.6
159.06796	11.7
159.08392	2.3
162.06122	0.8
163.04524	1.4
170.06641	21.2
171.06827	0.9
176.07712	43.3
176.97542	0.5
177.07870	4.1
177.09399	1.1
178.01396	0.5
181.08241	1.1
183.08415	0.5
186.04564	0.6
186.06171	1.2
188.07706	87.2
189.06358	0.5
189.07898	3.1
195.03961	0.5
195.11275	0.8
206.08833	0.8
208.08241	3.6
211.09276	1.2
220.08250	1.8
224.07645	1.0
225.10823	1.6
226.09198	1.3
226.11086	6.9
236.07700	8.1
238.09251	12.2
239.12537	0.9
239.67966	0.5
240.12587	2.1
243.11977	0.7
244.12117	2.6
251.12402	0.8
252.07219	1.4
252.12665	24.9
253.12283	0.9
254.08760	10.3
256.10336	11.9
257.05148	1.2
264.07181	13.7
264.12646	12.7
270.08450	2.8
270.13690	13.3
273.11942	0.5
282.08292	55.6
282.13608	26.3
282.18945	1.4
283.03058	1.0
283.08481	0.8
283.13422	1.1
300.09311	29.7
301.09607	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1498
Annotation	3061-91-4
Peak:m/z	Relative Intensity
53.03953	0.4
55.05516	9.3
56.05036	0.9
56.96568	0.7
57.05817	0.7
60.04532	0.7
69.03461	0.3
69.07080	0.5
70.02965	0.5
70.06596	2.3
71.49505	0.4
72.08161	74.6
73.08494	0.6
74.06051	0.4
81.92437	0.3
84.04510	1.0
84.08155	4.6
85.02901	0.4
86.09717	2.4
88.03995	1.1
91.05482	9.2
91.60166	0.2
93.07054	1.8
95.04976	0.6
95.06132	0.4
98.06044	0.3
98.97576	0.4
99.05624	0.3
100.07623	0.3
103.05471	5.7
107.04988	0.6
109.06564	0.3
110.07170	1.5
112.08770	0.4
115.08680	0.3
116.07109	0.7
118.06564	0.3
118.08640	0.4
119.04951	5.4
120.08114	100.0
121.02890	0.3
121.06507	0.6
121.08447	1.7
123.01916	0.3
123.04436	2.2
129.10226	1.6
130.05040	0.3
134.04506	0.8
136.07588	32.8
147.04405	0.7
150.07790	2.1
155.11731	0.3
156.07698	0.6
165.05486	3.5
166.08656	1.0
175.08713	0.3
182.08144	9.4
193.01425	0.9
203.95872	0.3
214.09428	0.4
215.13963	0.3
235.14467	1.4
238.10881	0.3
244.03908	0.3
246.03798	0.6
258.08499	0.4
263.10065	0.4
264.08713	0.8
267.00018	0.6
281.00623	2.7
281.08353	0.5
281.11304	3.3
281.14978	3.9
283.03094	0.7
299.06183	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	281.2478
Annotation	Stearolic acid
Peak:m/z	Relative Intensity
53.03937	2.9
55.01866	4.2
55.05513	62.7
57.07078	20.6
57.07333	4.2
67.05183	4.9
67.05508	65.6
69.03433	3.7
69.07072	100.0
69.24913	26.4
70.21059	2.6
71.05002	7.3
71.08645	12.8
79.05495	29.6
81.06590	4.9
81.07063	78.6
83.04974	10.8
83.08623	70.9
85.06552	6.0
85.28699	2.8
91.05479	26.7
93.07054	34.7
95.08607	65.0
97.06534	14.1
97.10179	52.2
99.08112	4.1
105.07044	28.9
107.08591	26.0
109.02882	2.9
109.06540	4.4
109.10168	34.0
111.08099	10.8
111.11719	16.8
119.08588	24.7
121.10135	28.7
123.11707	16.3
123.81326	2.6
125.09644	4.3
125.13278	4.5
129.06987	2.7
133.10109	20.1
135.11702	17.7
137.09618	7.3
137.13268	5.2
139.11140	5.5
143.08482	3.0
145.10095	3.6
147.11713	17.3
149.09615	3.2
149.13232	16.5
151.11217	5.5
151.14816	3.8
153.12788	4.1
154.94217	3.3
155.08591	3.0
161.13322	14.7
163.14824	11.6
165.12758	5.3
165.16435	3.8
167.14349	3.8
171.11671	5.3
172.95273	2.8
175.14838	9.8
179.14336	6.9
181.15800	3.3
185.13374	3.6
189.16380	5.5
193.15782	5.6
195.11681	3.6
196.65527	2.8
197.13295	5.2
207.17572	3.2
224.39012	2.6
244.04015	7.8
245.22623	21.4
246.03973	4.6
250.09583	5.7
263.18018	3.3
263.23743	22.9
281.00522	17.2
281.19135	18.5
281.21948	5.5
281.24896	13.4
281.29575	7.5
299.06256	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	281.1135
Annotation	Asp-Phe
Peak:m/z	Relative Intensity
52.53444	0.4
55.05497	0.4
56.01093	0.4
57.07059	0.5
69.07042	0.5
70.02591	0.8
70.02956	12.7
70.06592	1.2
70.86234	0.8
70.86562	0.5
72.08151	2.1
74.02443	4.8
79.05500	1.2
83.06122	0.4
84.04507	0.9
84.08128	2.6
86.09702	1.8
88.03994	17.1
90.84379	0.4
91.05485	10.3
93.07063	1.1
95.06104	0.5
100.21409	0.4
103.05479	7.2
107.04974	2.6
110.07183	0.6
120.08112	100.0
121.08444	1.3
123.07902	0.7
127.16385	0.4
129.07010	0.6
129.10246	1.0
130.06540	5.0
131.04956	3.5
136.06206	2.1
136.07532	0.6
144.08083	1.8
147.09253	0.9
149.05992	1.6
150.07765	1.7
156.07756	0.7
157.06494	1.3
162.04163	1.1
166.08652	34.5
172.07547	3.3
175.08664	7.6
182.06041	2.1
189.10228	1.1
190.08673	1.0
193.04965	0.8
200.07072	11.5
200.08873	0.7
209.07224	0.8
217.09761	1.8
218.08177	1.5
220.77768	0.5
221.09250	5.3
228.06441	0.9
235.10793	18.3
244.04063	1.4
245.09271	1.0
246.03755	0.6
246.07643	5.6
263.10324	1.8
266.99976	0.8
281.00613	5.2
281.11383	5.3
281.14703	0.7
283.03156	1.0
299.06192	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	281.1136
Annotation	H-PHE-ASP-OH
Peak:m/z	Relative Intensity
53.03957	0.3
53.99211	0.2
55.05518	5.6
56.05034	0.6
56.96582	0.6
57.05840	0.6
59.03900	0.3
60.04532	0.7
60.05661	0.3
62.11391	0.2
64.38542	0.2
65.03955	0.2
67.05522	0.4
69.03429	0.5
69.07087	0.4
70.02975	0.4
70.06596	1.6
70.73809	0.5
72.08161	43.5
73.04786	0.3
74.02431	0.5
74.06107	0.4
80.11102	0.2
84.04514	1.2
84.08154	3.7
86.09714	1.9
87.05602	0.3
88.03999	1.1
89.66693	0.2
91.05484	3.7
93.07062	1.7
94.06592	0.3
95.05003	0.4
95.06116	0.3
98.06039	0.3
98.97601	0.7
100.07605	0.4
103.05482	6.6
107.04983	0.4
108.60011	0.2
110.07175	1.0
112.07594	0.3
112.08739	0.4
115.08712	0.3
116.98681	0.3
118.08667	0.3
119.04965	2.9
120.08115	100.0
121.02895	0.5
121.08463	1.0
122.07214	0.2
123.04446	1.3
129.10274	1.5
130.05066	0.3
130.08675	0.3
134.04529	0.5
136.07590	12.9
147.04439	0.7
156.07706	0.9
158.06624	1.4
158.99614	0.3
165.01854	0.4
165.05478	1.6
166.08698	1.0
172.07596	0.3
176.07736	0.7
182.08125	4.0
188.07700	1.0
193.01366	1.3
194.04642	0.7
205.00304	0.6
214.09462	0.3
218.08250	0.3
221.09070	0.3
235.10838	0.8
235.14534	0.6
246.07693	0.5
251.12434	0.9
258.08246	0.5
263.09970	0.3
264.08633	0.8
267.00177	0.3
268.00507	0.3
269.13623	0.5
281.11035	2.2
281.14337	0.9
281.14932	0.9
282.08249	0.6
283.02896	0.6
299.06140	1.4
300.09225	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2637
Annotation	linoleamide
Peak:m/z	Relative Intensity
51.64006	0.3
52.61033	0.2
53.03942	1.6
55.01876	0.3
55.05515	13.5
56.04790	0.4
56.05039	6.3
57.01876	0.3
57.03427	0.5
57.07080	3.5
58.02709	0.3
58.02965	3.2
60.04531	2.9
65.03928	1.5
65.84306	0.3
67.04243	0.6
67.05508	21.9
68.05032	3.1
69.07072	14.4
70.00842	1.2
71.04981	0.3
71.08616	1.2
72.04496	0.9
73.06549	0.4
74.06078	0.8
79.05496	13.6
80.05028	3.9
81.03408	0.8
81.05787	0.5
81.07062	17.0
81.45246	0.3
82.06585	9.0
83.04969	0.9
83.07369	0.6
83.08625	6.1
84.08138	0.9
85.10180	0.6
86.06068	3.0
91.04908	0.4
91.05484	8.2
93.05798	0.5
93.07050	9.0
94.06573	4.2
95.04964	1.7
95.07348	1.4
95.08612	14.1
96.08136	2.0
97.06541	1.4
97.10172	2.9
98.06046	1.8
98.09647	0.3
100.07619	2.2
100.61440	0.3
103.05486	0.3
105.04522	0.6
105.07037	3.7
106.06543	0.5
107.07361	0.3
107.08597	2.8
108.08127	2.0
109.06535	0.4
109.10149	3.5
110.09715	0.3
111.11730	0.3
112.07632	1.1
114.09156	0.6
115.07556	0.7
117.07038	0.4
119.08590	2.6
120.08086	0.6
121.10149	3.2
122.09696	1.6
123.08089	0.5
123.11730	1.5
133.10130	1.9
134.09602	0.4
135.11702	1.6
136.11226	0.5
137.13251	0.6
140.10730	0.5
140.40242	0.3
147.11710	0.7
148.11235	0.8
149.02353	0.5
149.13260	0.4
150.02681	0.5
154.12274	0.7
161.13297	0.4
203.17986	0.4
206.23157	0.3
234.22411	0.4
238.79562	0.3
249.09140	0.6
249.11551	0.5
250.25322	7.0
260.23706	0.6
262.25305	4.9
280.13382	1.0
280.26364	100.0
281.00677	0.3
281.26706	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1295
Annotation	Phe-Asn
Peak:m/z	Relative Intensity
57.07066	2.1
62.66172	1.5
65.03945	1.7
69.03418	1.5
69.80910	1.4
69.90940	1.5
70.02958	17.2
70.06602	8.5
70.52506	4.7
72.08163	6.5
75.96877	1.5
79.05507	3.9
84.08149	9.5
86.09704	3.1
87.05597	53.5
88.03989	2.8
91.05486	97.2
98.02408	2.8
103.05468	31.5
107.04961	11.3
113.65773	1.7
116.07038	1.7
120.08109	86.1
123.07978	2.1
129.07005	5.4
129.10251	2.5
130.06552	14.5
131.04955	16.5
144.08116	6.6
145.06378	2.3
147.09174	7.0
149.02345	9.1
149.06003	8.6
150.02716	9.4
154.06525	5.6
157.06458	13.0
157.99258	1.9
165.04790	2.6
166.08667	33.0
172.07582	19.3
174.60895	1.5
175.08685	68.0
182.06036	31.9
182.07506	2.8
189.10187	2.8
193.04294	11.4
200.07088	100.0
203.08160	4.9
217.09723	8.5
221.09216	46.4
228.06587	5.7
234.12361	14.0
245.09225	7.3
246.05086	3.2
246.07642	63.5
263.10297	19.7
280.01080	2.4
280.12885	4.3
291.12317	1.5
293.23419	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	279.2322
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
50.91311	0.7
53.03954	1.3
55.05516	6.9
57.07081	2.8
62.54261	0.9
65.03958	3.6
67.05511	100.0
69.07069	6.5
71.15495	1.5
73.38906	0.7
79.05495	10.9
81.07064	94.7
83.08631	4.1
84.37139	0.7
85.06535	1.1
91.05494	3.9
93.07052	8.7
95.08617	74.1
96.08978	0.9
97.06507	1.0
97.10188	2.7
105.07076	2.2
107.08630	5.2
109.06525	1.2
109.10168	41.6
117.07076	0.8
119.08582	2.4
121.10143	5.8
123.08054	1.2
123.11723	26.5
127.07592	1.1
131.08597	3.8
133.10144	1.3
135.08005	1.1
135.11717	2.9
137.09685	1.5
137.13264	9.8
145.10152	2.3
147.11694	2.2
149.02353	13.7
149.09702	1.0
149.13324	2.0
151.14832	2.6
159.11714	1.5
161.13312	2.2
163.11227	1.0
163.14893	0.9
165.12799	1.6
173.13321	2.8
177.12808	1.0
179.14380	0.9
181.12210	0.9
187.14850	2.0
191.14418	1.4
195.13776	1.8
209.15398	2.0
222.01515	0.7
223.16962	2.0
237.18515	1.3
243.21086	1.7
244.03963	1.2
261.22070	3.3
279.00885	2.9
279.09512	1.1
279.23221	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.0852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
56.05039	2.9
57.07071	1.7
58.07399	1.2
58.99592	0.9
60.04519	0.8
67.01862	1.0
67.05504	1.4
68.05004	1.2
69.03435	21.6
69.07071	1.4
69.99406	2.6
69.99812	1.8
70.02948	3.7
70.06601	7.8
70.99583	1.9
71.04996	5.1
72.08157	6.1
75.04475	1.7
82.06612	0.8
84.04514	4.0
84.08149	9.8
85.01127	5.8
85.02904	2.1
86.09715	7.9
87.02693	0.8
87.05600	2.8
88.02209	1.0
88.03991	10.1
91.05487	4.6
95.01318	2.4
95.06079	1.2
95.08581	0.9
96.04491	4.2
97.01096	1.1
98.99046	48.7
99.02669	4.7
99.04460	23.9
103.05478	2.9
107.04951	1.4
110.07162	1.3
112.07605	0.8
112.08755	0.8
114.03752	1.2
115.02141	1.1
116.98598	0.9
117.55254	0.7
120.08112	100.0
121.08440	0.7
123.04500	1.0
124.81564	0.8
125.00623	1.0
127.03928	46.9
129.10252	4.1
130.06511	1.6
131.01637	41.4
131.04877	1.2
136.06206	5.9
142.03241	5.4
144.08041	1.3
149.02350	12.1
150.02687	11.1
156.07664	0.8
159.01129	11.1
159.06540	50.7
159.20352	0.8
162.04149	1.7
166.08646	15.7
170.02724	46.0
172.07538	1.1
175.08641	4.2
177.08759	1.6
177.10248	25.2
188.03732	1.3
191.03740	75.2
193.04578	0.8
198.02249	4.4
200.07091	3.3
202.05377	2.1
205.09779	2.5
207.16399	0.8
216.03271	28.5
217.09692	1.0
221.09276	1.0
223.10832	2.4
234.07957	2.5
235.10785	4.3
245.04317	1.6
246.07657	2.3
248.05836	4.0
263.05896	7.7
263.10358	1.4
280.01334	4.3
280.08658	5.1
280.11832	1.6
280.15912	1.4
281.00568	1.9
299.06433	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2321
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03954	1.2
55.01881	0.9
55.05516	10.6
57.03439	0.8
57.07079	4.8
60.29047	0.6
65.03938	3.3
67.05510	100.0
69.07073	10.0
70.74805	1.1
70.75156	0.6
71.05034	1.3
79.05496	15.4
80.17400	0.5
81.07063	100.0
82.07380	0.6
83.04997	1.7
83.08624	5.4
85.06548	1.9
85.10191	0.7
91.05485	5.1
93.07050	13.3
95.04975	1.2
95.08614	82.0
96.08931	1.0
97.06533	2.4
97.10162	3.4
98.21476	0.6
99.08112	0.8
105.07059	3.5
107.08595	9.0
109.06528	1.1
109.10164	46.8
111.08094	1.0
111.11745	0.8
113.09644	0.9
117.07026	1.7
119.08564	3.9
121.02881	0.6
121.10151	7.6
123.08093	1.6
123.11722	24.3
125.09731	0.7
127.07507	1.0
131.08580	5.4
133.10144	4.1
135.08084	1.7
135.11702	5.6
135.74359	0.5
137.06049	0.5
137.09618	1.5
137.13268	8.7
145.10112	2.7
147.11711	2.5
149.02362	19.2
149.09663	1.5
149.13290	2.9
151.11128	0.8
151.14786	2.7
152.97316	0.5
153.12796	0.6
159.11714	2.1
161.13245	2.8
163.11185	1.6
163.14812	1.9
165.12766	1.4
165.16400	1.0
167.10715	1.3
173.13284	3.2
177.12787	1.4
177.16447	1.0
179.14302	1.4
181.12222	1.5
187.14857	2.7
191.14337	1.0
195.12160	0.5
195.13835	2.0
205.15961	1.1
209.07089	1.2
209.15411	2.2
219.17508	0.5
219.21161	1.3
223.16934	3.7
237.18578	1.5
243.21144	2.8
244.03986	4.3
251.07750	0.6
261.22205	5.5
279.00858	9.1
279.09256	0.9
279.19748	2.6
279.23193	35.6
280.23499	0.7
280.26364	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	279.232
Annotation	Hedaol B
Peak:m/z	Relative Intensity
51.99561	1.0
53.03944	1.4
55.01880	2.0
55.05274	1.5
55.05516	22.1
56.96566	2.8
57.03428	2.0
57.07082	8.1
65.03938	3.9
66.52032	1.0
67.05508	89.8
68.01828	1.0
69.03434	1.6
69.07070	24.8
69.99015	4.2
71.04980	4.7
79.05499	30.4
81.07061	100.0
83.04965	2.9
83.08623	13.6
85.06547	4.6
91.05486	17.0
93.07052	29.7
95.04957	2.9
95.08615	82.6
96.08928	1.3
97.06539	9.5
97.10160	6.9
98.97569	2.3
99.08080	3.0
105.07039	11.5
107.04975	1.2
107.08598	18.8
109.06520	3.1
109.10165	39.5
111.08064	4.6
111.11777	1.7
113.09724	1.1
117.07019	3.9
119.08582	12.5
121.02885	1.8
121.06514	2.0
121.10159	24.5
123.08057	4.3
123.11707	16.7
125.09646	2.9
127.07538	1.4
129.07018	1.3
131.08575	8.8
133.10141	9.1
135.08057	3.4
135.11679	13.4
137.09586	3.7
137.13280	8.2
141.06972	1.3
143.08559	1.6
145.10149	7.9
147.11705	8.6
149.02356	44.8
149.09650	2.6
149.13321	5.7
151.11159	2.6
151.14825	2.8
153.12714	1.6
159.11725	5.3
161.13254	9.9
163.11227	1.8
163.14828	3.9
165.12764	2.9
165.16287	1.4
171.08066	2.7
173.13269	4.3
175.14879	2.3
175.79581	1.0
177.16400	1.6
178.07803	1.2
179.14316	2.2
187.14810	4.2
195.13843	1.7
197.63043	1.2
201.04741	1.4
209.07133	5.1
209.15388	1.8
219.05627	1.6
222.43362	1.0
223.16858	1.6
238.11105	1.9
239.61786	1.1
243.21097	10.4
244.03981	18.7
247.11745	2.8
256.12262	3.3
261.22168	21.2
279.00903	44.1
279.09399	3.0
279.13782	1.7
279.17331	3.3
279.23218	52.6
280.00842	1.1
299.15259	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1705
Annotation	Leu Phe
Peak:m/z	Relative Intensity
57.07072	0.6
66.87341	0.3
70.80325	1.2
70.82770	0.5
72.04521	0.5
80.53542	0.4
85.21357	0.4
86.09713	100.0
93.07042	1.2
103.05469	4.5
114.05534	0.6
120.08116	65.8
127.63134	0.4
132.10182	0.9
149.02364	1.8
151.52870	0.5
166.08664	9.5
233.16585	1.6
279.16980	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2319
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03931	1.2
53.64067	0.7
55.05513	8.6
57.07060	2.8
65.03929	2.2
66.28851	0.8
67.05506	99.9
69.07072	7.2
70.48205	1.7
71.04976	1.2
71.39169	0.8
79.05494	11.2
81.07058	100.0
82.07347	1.0
83.04990	1.1
83.08607	5.5
85.06544	1.7
87.08633	0.8
91.05466	3.6
93.07049	9.5
95.08610	72.3
96.85814	0.7
97.06526	1.9
97.10169	2.2
105.07041	2.6
107.08574	5.9
107.09206	0.9
109.10160	40.2
111.11745	1.3
117.07011	2.0
119.08573	2.9
121.10190	5.0
123.08051	1.0
123.10840	1.5
123.11712	23.0
131.08546	2.7
133.10153	2.3
135.08009	2.0
135.11691	3.5
137.09612	1.9
137.13274	8.9
145.10138	2.7
147.11656	2.3
149.02345	18.5
149.09602	1.0
149.13226	2.0
151.11073	1.0
151.14790	1.2
159.11641	1.0
161.13284	1.7
163.11194	1.2
163.14809	1.4
165.16457	0.9
173.13257	2.0
177.12729	1.9
181.12305	1.0
187.14828	2.8
195.13797	1.6
209.07146	4.2
209.15343	2.0
223.16945	2.3
223.32629	0.9
229.03610	1.0
243.21088	1.2
244.04001	13.2
247.48703	0.8
261.22180	3.2
278.97833	1.6
279.00885	31.6
279.17258	1.0
279.23196	25.9
280.01172	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.4
57.07068	1.2
58.06610	0.5
66.42195	0.3
67.05508	0.5
69.07069	13.1
69.28550	2.2
70.06591	1.1
70.80158	0.3
72.08146	0.4
84.08156	0.4
86.09707	100.0
91.05497	0.7
93.07066	0.6
93.41364	0.3
95.08629	0.4
98.20620	0.3
103.05497	1.1
116.01719	0.8
119.04932	0.3
120.08105	19.0
126.35228	0.3
136.07599	1.0
141.98872	0.3
142.05942	0.3
146.06000	0.8
149.02344	7.0
162.02190	1.1
166.08650	5.1
233.16518	0.8
244.04059	0.7
262.11047	0.5
279.00998	1.0
279.17035	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1342
Annotation	Prolyl-tyrosine
Peak:m/z	Relative Intensity
51.61889	0.7
55.05487	1.2
56.05043	3.6
56.96568	0.7
57.07080	8.2
65.03955	1.2
67.05511	1.7
69.03429	1.0
69.07056	0.8
69.65220	4.6
70.06596	53.8
72.08166	9.4
74.06086	3.6
79.05513	0.8
81.07060	2.6
82.06544	0.9
83.06103	0.9
84.04509	4.6
84.08157	7.2
85.02904	1.3
86.09706	3.6
91.05486	30.3
95.06052	1.3
95.08580	1.1
95.55712	0.7
97.02900	1.1
98.97578	6.7
102.05526	0.8
103.05504	1.0
107.04941	1.6
109.06503	0.9
110.07185	1.2
110.97549	1.0
112.08769	1.1
113.10764	1.5
114.05539	4.6
116.07101	94.4
116.98621	2.3
118.06527	1.7
119.04944	19.0
120.08122	2.7
121.02876	3.8
121.03962	1.2
121.06536	2.1
128.98598	1.0
129.10286	2.4
130.05003	0.9
134.99762	0.9
135.04404	0.9
136.07585	100.0
137.07948	1.3
141.10229	2.3
147.04434	4.2
149.02353	65.8
150.02650	1.0
158.99713	2.5
163.03918	2.1
167.03407	0.7
169.13312	1.2
170.99661	1.3
175.08701	0.9
177.00737	3.1
189.00764	1.7
200.07082	2.2
209.07094	1.7
215.13895	4.5
233.13139	1.2
234.11369	1.0
237.02811	1.0
244.04025	6.6
262.10779	4.0
279.00919	15.4
279.08972	3.5
279.13425	14.3
279.23325	0.7
300.33655	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1707
Annotation	H-PHE-LEU-OH
Peak:m/z	Relative Intensity
53.03937	0.2
55.01851	0.2
55.05515	1.3
56.05032	0.2
57.07087	1.3
57.18622	0.2
58.06572	0.2
58.99574	0.4
65.03937	0.3
65.97611	0.1
67.05504	0.2
69.07066	0.7
69.73586	0.6
70.06595	1.2
72.08167	0.9
76.02246	0.2
76.04015	0.1
77.15022	0.2
79.05479	0.2
83.05003	0.2
83.08617	0.7
84.04538	0.1
84.08149	0.9
84.50033	0.1
86.09713	9.4
86.99031	0.2
91.05489	0.9
93.07053	2.0
95.04971	0.4
97.06484	0.2
98.06022	0.2
103.05478	6.6
105.06983	0.2
110.07156	0.2
112.11240	0.3
116.01685	1.3
120.08114	100.0
121.02877	0.6
121.08449	0.7
128.18056	0.1
129.10239	0.5
132.10229	2.6
136.07567	0.3
137.05931	0.3
144.01149	0.6
145.02856	0.2
146.03206	0.3
147.04408	0.2
149.02354	8.3
155.11748	0.2
155.45605	0.2
159.08502	0.2
162.02219	1.9
163.03935	0.2
169.07846	0.2
177.05486	0.4
178.05829	0.6
233.16508	2.2
237.02765	0.2
262.10999	0.3
279.06671	0.3
279.10016	0.2
279.17059	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
50.46988	0.9
53.03938	3.3
55.05519	8.1
57.07056	1.3
65.03934	1.5
67.05511	50.3
69.07082	8.6
70.94638	1.8
70.94959	1.2
71.05000	2.0
79.05499	50.5
81.07064	38.5
83.08625	5.4
85.06561	1.8
91.05482	13.4
93.07050	66.4
94.07349	1.2
95.04980	1.8
95.08611	25.4
97.06547	2.4
97.10169	2.3
105.07048	6.8
107.08604	24.9
109.06507	2.2
109.10147	9.2
111.08044	1.4
117.07029	1.9
119.08618	6.6
121.10156	100.0
123.08104	1.5
123.11704	2.8
124.37299	1.0
131.08588	4.1
133.10161	6.6
135.08253	1.1
135.11699	54.6
137.09529	1.2
145.10135	4.3
147.11716	3.2
149.09631	1.2
149.13284	8.7
159.11716	3.6
161.13278	2.0
163.11223	2.8
163.97322	1.0
173.13336	2.3
175.14882	1.8
177.12785	3.3
181.12328	1.8
185.13295	1.4
195.13788	4.0
204.68887	1.0
209.59798	1.1
235.14697	1.1
235.16960	1.2
241.19580	2.4
259.20599	6.1
277.21689	96.9
296.36783	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
54.04285	1.6
55.01865	5.1
55.05513	12.3
56.05844	2.9
57.03439	2.9
57.07065	5.4
65.03962	1.2
67.05511	35.3
68.05836	13.1
69.03441	1.2
69.07076	11.5
70.06599	2.5
70.07393	4.6
70.90926	1.1
70.99876	2.1
71.04985	5.2
71.08624	8.8
71.16934	1.1
72.08144	2.0
72.08955	3.2
79.05499	28.6
80.05832	15.2
81.03415	4.2
81.07060	31.5
82.03759	1.7
82.07396	13.2
83.04977	4.4
83.08623	4.0
84.08946	2.0
85.06548	3.9
91.05490	16.3
92.05820	11.0
93.07049	38.7
94.07381	21.8
95.04980	5.2
95.08613	17.4
96.05300	2.4
96.08932	11.9
97.06526	3.8
97.10158	2.0
98.10504	1.7
99.08086	7.4
100.08418	2.3
105.07039	11.9
106.07342	7.2
107.04942	2.4
107.08597	20.1
108.08929	14.0
109.06506	3.5
109.10174	6.9
110.10496	4.9
111.08162	1.6
114.10168	1.3
117.07027	4.3
118.07360	2.0
119.08595	8.7
120.08909	7.5
121.06580	1.5
121.10154	13.3
122.06796	1.5
122.10484	10.4
123.08078	2.5
123.11728	2.0
124.08411	1.3
124.12062	1.9
126.10023	1.4
128.06337	1.2
131.08606	2.6
132.08917	2.4
133.10146	4.7
134.10495	4.6
135.11693	12.4
136.12038	12.2
137.05992	2.9
137.09634	3.7
138.06351	2.5
138.09929	2.4
144.08954	1.7
145.10150	4.5
146.10437	6.1
147.11694	2.8
148.12056	5.8
149.02350	9.3
149.13277	5.5
150.10007	1.6
150.13669	8.0
151.11166	4.0
152.11667	2.4
157.10141	1.4
160.12029	4.0
161.13240	3.1
162.09868	1.4
162.13612	4.0
163.11147	2.6
163.14813	2.4
164.11584	6.7
164.15150	1.8
166.40088	1.2
172.12070	3.1
174.13573	1.9
175.14774	1.3
176.15195	1.5
177.12733	1.7
186.13562	1.3
196.14122	1.6
197.49608	1.3
208.14209	2.4
209.07100	2.7
221.15558	1.3
222.15742	1.6
232.17966	2.1
232.21434	1.5
236.17415	2.2
242.19916	4.5
244.03964	7.7
260.20966	15.3
272.50333	1.2
278.08124	3.1
278.14084	2.8
278.22000	100.0
279.00882	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
51.91607	2.1
53.03955	5.2
55.01860	3.0
55.05508	22.6
57.03428	3.3
57.07071	5.5
59.04996	4.4
61.02908	2.4
65.03940	2.4
67.05507	34.6
69.03429	19.9
69.07078	21.6
69.89753	5.0
69.90165	7.7
71.04991	15.0
79.05505	38.3
81.03427	6.8
81.07059	77.1
81.07532	4.6
83.04985	17.6
83.08622	17.5
85.06547	16.5
87.42239	2.2
91.05489	22.3
93.07046	75.0
95.04993	6.6
95.08611	48.3
97.06544	11.6
97.10176	2.6
98.21466	3.2
105.07035	44.5
105.45792	2.3
107.04977	3.1
107.08595	63.2
109.06522	21.5
109.10158	53.3
111.08070	14.7
113.09641	19.3
115.05482	2.9
117.07021	6.0
119.08585	49.3
121.06490	4.5
121.10153	80.8
121.11044	4.4
122.07278	3.6
123.08081	9.5
123.11707	29.1
125.09603	11.5
125.44119	2.5
129.07048	3.4
131.08582	10.0
133.10141	43.1
135.08054	7.4
135.11702	47.9
137.09625	26.3
137.13269	3.0
139.11151	14.9
143.08589	6.2
145.10127	19.2
147.04475	2.8
147.08049	3.9
147.11667	17.5
149.02301	3.9
149.09650	18.0
149.13266	16.6
151.11198	56.9
157.10124	8.3
159.11725	13.7
161.09641	7.0
161.13280	22.1
163.11180	4.8
165.12799	8.4
167.14365	3.5
171.11714	7.9
173.13298	5.8
175.11238	8.5
175.14839	32.7
177.12836	2.9
177.16273	2.4
179.14401	3.9
185.13251	12.3
189.12752	7.1
193.15930	9.9
199.14784	2.4
201.16417	19.9
203.14235	10.6
217.16057	4.0
217.19496	6.1
219.17526	6.7
235.16988	2.5
235.20564	2.5
241.19547	9.9
259.20569	20.2
277.06970	3.2
277.19080	3.9
277.21667	100.0
280.37076	2.2
285.00958	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2165
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
51.28163	0.7
53.03944	5.8
55.01880	8.8
55.05519	24.0
57.03426	2.1
57.07079	5.7
59.05005	1.0
65.03940	1.7
65.75927	1.0
67.05513	48.4
68.12964	0.9
69.03427	1.8
69.07072	21.2
69.18312	0.9
69.74055	3.7
71.05005	5.3
71.08635	5.7
72.36667	0.8
79.05504	55.1
81.03429	6.4
81.07063	51.8
83.04983	6.0
83.08621	8.4
84.10951	0.9
85.06552	3.5
91.05489	27.7
92.56931	0.8
93.07053	73.8
95.04970	13.9
95.08620	30.7
95.09262	1.1
97.06554	5.5
97.10175	5.1
98.21491	1.5
99.08088	4.4
103.05446	0.9
105.04522	2.1
105.07041	21.1
107.04962	4.0
107.08609	38.9
109.06533	6.9
109.10159	14.3
111.08107	2.3
111.11720	1.1
113.09653	1.1
115.05359	1.0
117.07028	4.5
119.08592	14.9
120.18205	0.8
121.06509	1.6
121.10159	22.9
123.08085	4.1
123.11701	5.4
125.09647	1.9
126.03181	0.8
126.77490	0.9
127.07596	1.0
129.07004	4.0
131.08615	6.3
133.10149	12.7
135.08073	2.8
135.11711	25.1
137.06007	4.9
137.09627	5.2
137.13254	2.1
139.11188	4.2
142.07744	0.9
143.08572	3.5
145.10118	5.0
147.04434	2.4
147.08057	3.2
147.11711	13.6
149.09627	1.6
149.13274	15.5
151.11247	6.7
153.09077	1.1
157.10164	3.1
159.11725	3.3
161.09631	2.4
161.13295	8.4
163.11186	3.2
163.14845	5.4
165.12723	5.5
167.10660	1.3
169.12308	0.9
171.11731	4.8
173.13277	1.8
175.11238	2.7
175.14828	5.5
177.12801	1.1
177.16428	1.0
179.10666	1.2
179.14348	2.5
181.12288	1.8
185.13287	4.8
189.12735	2.9
189.16499	1.0
193.12238	1.7
193.15898	1.3
195.13828	1.5
199.14833	2.5
207.13829	3.2
213.16344	1.7
217.15863	0.9
217.19543	3.0
221.13547	1.0
221.15417	3.7
231.17418	1.5
231.21138	2.3
235.16931	2.6
241.19478	6.1
246.40399	1.1
249.22234	2.7
259.20560	9.3
277.21661	100.0
278.21878	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2165
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03949	3.1
55.05520	15.3
57.03407	2.2
57.07071	6.0
67.05516	14.4
69.07077	20.9
70.10351	2.2
70.43785	6.6
70.95847	1.9
71.05004	32.3
72.08166	2.6
79.05508	15.4
81.03450	2.6
81.07069	35.3
83.04993	5.2
83.08625	7.1
85.06557	16.6
88.07626	1.9
90.21445	2.1
91.05490	15.0
93.07052	31.9
95.04990	5.0
95.08617	38.0
97.06546	9.0
97.10162	7.1
99.04469	100.0
99.05125	4.7
99.08106	9.2
101.06036	7.6
105.07043	29.3
107.08611	28.3
109.06532	7.3
109.10157	19.8
110.75249	2.1
111.08096	4.8
111.11716	4.8
117.07046	9.1
119.08587	21.6
121.06518	4.7
121.10149	20.6
123.08080	7.1
123.11739	4.3
125.09647	3.7
127.07557	4.7
129.07022	4.9
131.08594	22.5
133.10152	18.2
135.08044	2.7
135.11703	10.0
137.09642	3.6
142.07805	2.6
143.08528	11.1
145.10139	35.5
147.04408	5.0
147.11713	13.7
149.09641	8.3
149.13286	8.7
151.11186	3.3
154.27135	1.9
157.10136	10.1
159.11705	24.7
161.13290	8.2
163.04123	2.1
163.11244	5.8
163.14845	8.3
165.12817	3.2
171.11722	10.1
173.13306	22.2
175.14806	2.4
177.12773	7.8
177.16402	2.9
179.14458	2.2
181.12300	3.4
185.13280	12.6
187.14816	2.1
189.12796	3.2
189.16472	2.4
195.13956	3.3
199.14835	14.3
201.16406	62.4
203.14319	6.7
213.16386	4.2
215.06999	2.8
219.17435	4.0
231.17387	3.2
235.16869	2.4
241.19554	44.4
259.16956	2.2
259.17532	2.7
259.20612	44.4
274.58395	2.4
277.21716	56.7
277.25577	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	277.2165
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03939	5.2
55.01863	5.5
55.05516	24.7
57.03424	2.7
57.07064	5.1
65.03953	1.8
67.05514	49.8
69.07078	20.0
71.04986	3.5
71.08644	17.0
71.14352	3.2
79.05499	64.0
81.03416	7.5
81.06597	2.2
81.07065	45.2
83.04970	5.7
83.08626	9.9
85.02906	5.0
85.06538	4.5
91.05495	35.1
93.07053	88.2
95.04963	14.3
95.08067	2.1
95.08619	32.1
97.06533	5.6
97.10164	4.3
99.08104	15.8
105.04525	3.6
105.07047	28.2
107.04946	5.9
107.08603	41.6
108.05749	1.5
109.06552	3.3
109.10174	13.4
111.08072	2.5
117.07027	10.2
119.08582	18.4
121.06526	2.7
121.10156	23.1
123.08080	6.8
123.11705	5.2
128.06258	2.9
129.06984	3.8
131.08554	5.8
133.10146	16.1
135.08067	3.3
135.11710	31.3
137.09610	3.6
137.13200	2.1
141.12747	5.6
142.07751	1.5
143.08578	6.3
145.10095	7.6
147.04442	1.8
147.08020	2.3
147.11736	16.0
149.09630	3.2
149.13272	18.0
151.11224	10.6
157.10152	4.7
159.11734	3.8
161.09613	4.2
161.13274	12.0
163.11206	14.5
163.14862	6.6
165.12787	5.1
169.12274	2.4
171.11685	5.8
173.13347	3.3
175.11159	2.5
175.14841	6.0
177.12778	2.9
177.16487	1.7
179.14307	3.8
185.13324	6.9
189.12706	2.1
199.14783	3.0
203.10762	2.4
207.13797	4.7
217.15819	1.8
217.19569	2.2
221.15378	4.4
231.17285	1.8
231.21092	1.8
235.16942	3.4
241.19432	4.1
259.20575	12.7
277.18216	8.7
277.21652	100.0
278.21823	1.6
279.79556	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	277.2165
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
51.02371	2.5
53.03757	2.0
53.03954	23.6
55.01894	8.2
55.05521	33.0
57.03449	2.8
57.07089	10.3
65.03940	2.9
67.05510	72.4
69.07075	47.2
69.81517	9.5
71.04974	3.6
71.08636	13.9
72.25483	1.7
79.05498	62.9
81.03425	65.8
81.06590	3.5
81.07061	64.3
83.04993	17.1
83.08635	12.2
85.06548	4.8
85.10194	3.0
88.45132	1.7
91.05490	40.1
93.07055	69.5
95.04974	46.9
95.08618	30.0
97.06531	6.5
97.10172	4.5
98.21490	3.8
99.08105	8.4
105.07046	31.8
107.04994	3.1
107.08609	38.3
109.06532	11.3
109.10160	19.4
111.08083	4.5
115.82177	1.7
117.07011	7.0
119.08591	25.0
121.06499	6.2
121.10173	18.8
123.11688	7.3
125.09637	7.6
129.07027	4.7
131.08545	8.7
133.10155	24.7
135.08086	5.2
135.11697	15.5
137.09608	3.3
137.13268	2.7
139.11186	2.0
143.08588	3.2
145.10100	5.2
147.08009	2.9
147.11710	19.3
149.09622	2.9
149.13281	13.5
151.11203	41.5
153.09099	3.7
157.10149	4.1
159.11668	3.0
161.09641	3.2
161.13315	14.4
163.14873	8.4
165.12772	19.0
169.12256	1.7
171.11749	7.5
173.13266	2.2
175.11293	1.9
175.14861	7.3
177.12694	3.1
179.10632	2.6
179.14287	10.8
185.13287	5.0
189.12749	3.9
193.12335	2.5
207.13821	7.6
216.48808	1.8
217.19533	3.1
221.15428	4.3
231.21126	10.2
235.16982	4.8
241.19537	4.7
249.22000	4.2
259.20544	8.2
277.18524	3.9
277.21652	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
52.73139	1.9
53.03935	5.2
55.01863	6.7
55.05516	54.0
57.03431	4.2
57.07061	8.0
65.03922	2.5
65.68396	1.6
67.05510	61.8
69.07073	28.1
70.01646	7.5
71.04991	5.1
71.08643	8.8
73.06565	12.6
77.03916	1.8
79.05501	88.7
81.07059	100.0
83.04986	20.8
83.08633	17.0
85.02898	3.0
91.05490	45.6
93.07051	87.7
95.04983	21.3
95.08613	68.0
97.06538	25.9
97.10185	12.1
98.20804	2.8
99.08074	5.7
105.07034	40.4
107.04982	2.2
107.07877	3.8
107.08599	62.9
109.06532	19.0
109.10170	21.7
111.04469	4.3
111.08065	3.3
117.07032	10.0
119.08590	32.2
121.10156	31.2
123.08105	14.3
123.11726	19.3
125.09637	4.4
129.06987	10.6
131.08562	8.6
133.10155	22.4
135.08054	2.1
135.11684	24.6
137.09595	6.7
137.13232	5.6
143.08585	14.7
145.10126	7.4
147.04422	1.9
147.11688	21.4
149.13257	20.4
151.11243	3.0
153.12773	7.6
157.10127	7.5
159.11749	2.5
161.09631	4.3
161.13278	26.7
163.14836	12.9
165.12750	24.9
171.11688	22.9
173.13254	4.5
175.11234	3.4
175.14891	12.6
177.12729	2.9
177.16394	10.5
179.14330	23.2
181.12213	11.9
185.13260	8.1
189.12772	6.0
189.16383	3.5
191.14119	2.0
191.17943	2.5
193.12300	2.9
193.15857	7.6
195.13893	2.2
199.14833	4.2
201.16457	2.4
207.13832	8.2
215.17857	2.4
217.19409	2.4
221.11754	2.4
221.15465	3.3
231.17584	2.3
231.21092	20.6
235.16983	4.5
241.19542	37.0
247.20676	3.3
249.22180	26.8
259.20587	42.0
277.21649	95.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2165
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
51.02378	1.5
53.03949	5.2
53.07137	0.8
55.01882	1.0
55.05268	1.3
55.05516	18.1
57.07061	1.6
65.03925	1.7
67.05509	34.1
69.07072	14.2
69.77757	5.1
71.04986	1.4
77.03923	2.4
79.05499	79.8
81.06595	1.8
81.07064	35.6
83.04998	1.1
83.08629	6.7
85.06564	1.1
91.04905	1.4
91.05486	28.1
93.07052	100.0
93.89935	0.8
94.09389	0.9
95.04981	4.4
95.08612	26.7
97.06541	1.6
97.10179	5.5
99.08128	0.9
105.04527	1.8
105.06393	1.5
105.07041	15.0
107.08604	50.7
109.06557	1.6
109.10166	14.3
111.08099	1.3
117.07013	3.7
119.08594	10.9
121.10155	42.0
121.11058	2.0
123.11699	3.0
129.06978	1.9
131.08568	3.3
133.10146	13.2
135.08029	1.1
135.11700	56.5
143.08562	1.2
145.10149	3.3
147.11714	7.7
149.09618	2.4
149.13266	25.2
150.43419	0.9
157.10112	2.1
159.11644	2.9
161.13284	4.3
163.11201	1.1
163.14819	4.2
166.67795	0.9
167.10608	1.2
171.11723	1.4
173.13301	1.8
175.11148	1.2
175.14795	2.3
175.37698	0.9
177.12848	1.6
181.12299	1.2
185.13275	1.9
189.12790	1.2
193.12175	0.9
195.13718	0.9
199.14868	1.7
202.61354	0.9
207.13814	1.6
213.16411	1.8
221.15408	3.4
231.17532	1.6
235.17010	3.3
241.19522	2.0
259.18213	1.2
259.20685	3.8
277.21646	66.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03947	5.2
53.04150	0.8
55.01880	11.0
55.05514	24.0
57.03425	1.6
57.07088	5.0
65.03929	2.0
66.03120	1.0
67.05510	48.7
69.03430	1.6
69.06729	1.4
69.07070	16.9
71.04984	3.1
71.08634	10.2
71.15562	1.7
71.99901	1.0
73.89634	1.0
77.03922	1.4
79.05497	49.3
81.03420	5.5
81.07063	49.2
83.04995	4.8
83.08625	11.0
85.06532	3.9
85.10174	2.4
91.04915	1.3
91.05485	30.0
93.07050	66.8
95.04979	10.5
95.08612	30.2
97.06538	7.2
97.10177	4.9
99.08095	8.8
101.06017	1.1
105.04513	1.6
105.07032	20.6
107.04953	3.7
107.08607	35.6
108.05737	1.5
109.06530	7.4
109.10165	14.1
111.08083	6.8
113.09641	1.6
117.07024	6.0
119.08595	15.8
121.06554	2.6
121.10154	18.6
123.08051	3.1
123.11749	4.7
125.09629	2.8
129.07024	3.3
131.08591	5.4
133.06436	1.3
133.10144	16.1
135.08090	2.7
135.10699	1.9
135.11703	25.8
137.09625	3.9
137.13243	2.9
139.07558	1.3
139.11157	1.9
143.08554	3.8
145.10139	7.5
147.08075	1.8
147.11694	13.5
149.09622	2.7
149.13268	14.1
151.11174	6.6
157.10144	3.0
159.11681	4.0
161.09584	1.3
161.13277	9.6
163.11203	10.6
163.14841	5.5
165.12762	4.3
171.11676	5.0
173.13243	2.3
175.11179	2.1
175.14832	4.6
177.12785	2.5
177.16353	1.9
179.14270	2.9
181.12201	2.1
185.13284	3.3
189.12843	2.2
195.13832	1.4
199.14870	1.4
207.13873	2.3
213.16454	1.4
217.19501	4.5
219.82413	1.1
221.15417	3.1
231.21078	2.9
235.16972	2.0
241.19545	6.1
249.22191	2.2
259.20581	12.4
259.24292	1.0
277.21637	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03942	5.7
55.01863	4.4
55.05513	16.6
57.07078	21.2
65.03938	3.9
67.05508	69.0
69.03421	2.1
69.07071	27.6
69.56609	1.7
70.14854	6.4
71.04981	4.3
75.58211	1.6
77.03911	1.7
79.05498	63.3
81.07059	64.3
83.04997	2.6
83.08625	11.2
83.95318	1.9
85.06545	3.6
86.69842	1.8
91.05485	27.5
93.07048	79.0
95.04966	5.5
95.07983	2.2
95.08610	42.7
96.08993	2.4
97.06540	12.0
98.21456	1.7
99.08096	2.6
105.04535	2.8
105.07024	21.6
106.07384	2.3
106.83317	1.6
107.08598	45.0
109.06519	5.2
109.10148	11.2
111.08054	2.8
117.07020	5.5
119.08583	12.1
121.10152	74.7
122.10464	2.0
123.04501	2.4
123.08108	4.3
123.11691	2.1
125.09645	6.4
128.69765	1.6
131.08606	7.6
133.10136	15.8
134.10507	2.2
134.54778	2.0
135.08170	1.7
135.11697	62.3
137.09610	2.6
137.13300	2.0
143.08501	2.8
145.10136	5.7
147.11685	12.9
149.09634	3.5
149.13301	19.1
151.11214	4.0
157.10117	2.5
159.11697	10.8
161.13313	7.2
163.11192	4.3
163.14825	6.1
165.12820	2.2
171.11717	5.3
173.13281	4.9
177.12772	6.6
179.10735	10.5
179.14241	3.8
181.12206	3.6
185.13272	3.7
195.13846	7.8
207.13770	2.3
209.15346	2.5
217.16061	2.1
235.16928	39.4
241.19460	5.1
259.20538	11.9
259.80515	1.9
277.18030	36.0
277.21594	100.0
277.28076	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	277.2164
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
51.02380	0.9
53.03944	4.8
55.01888	5.2
55.05514	22.8
57.03438	1.0
57.07084	7.0
58.07412	2.3
58.23371	0.8
59.05019	1.0
65.03928	2.4
67.05509	43.6
69.03423	2.8
69.07071	19.2
70.06599	7.1
71.04990	3.8
71.06923	2.8
71.08641	6.1
72.07223	1.4
72.08132	0.9
72.08950	0.8
77.03951	0.9
79.05498	74.7
81.03410	3.8
81.07063	47.5
83.04971	3.1
83.08621	11.8
85.06546	2.1
88.07646	5.3
89.07470	0.8
89.07930	4.6
90.08047	1.8
91.05490	31.8
91.08395	1.3
93.07050	100.0
95.01318	2.3
95.04977	10.4
95.08614	28.7
97.06526	4.8
97.10176	6.9
99.08096	5.0
102.09180	1.1
103.05428	1.5
103.09532	1.0
104.09595	1.1
105.04533	1.7
105.07032	19.5
106.08671	1.2
107.04957	6.2
107.08595	57.2
108.09093	3.2
109.06535	4.8
109.09475	0.9
109.10158	14.9
111.08099	3.5
115.05449	1.1
117.07036	5.7
119.04905	0.9
119.06033	1.0
119.08585	14.6
121.06483	2.6
121.10151	47.4
122.20270	0.8
123.04430	3.0
123.08083	3.6
123.11725	3.8
125.09630	1.5
128.06168	1.2
129.07011	3.2
131.08580	6.8
133.06538	0.9
133.10143	14.1
135.04401	1.1
135.08060	2.7
135.11700	46.4
137.05966	1.1
137.09602	2.6
137.13225	1.5
139.07516	1.2
142.07828	1.0
143.08537	4.4
145.10147	7.8
147.04422	6.6
147.08089	1.3
147.11699	11.4
149.02376	1.7
149.09612	2.6
149.13268	24.4
151.03903	1.0
151.11211	3.0
153.09090	1.6
155.10789	1.1
157.10159	2.6
159.11702	5.3
161.06012	1.5
161.09630	1.6
161.13283	5.8
163.11192	6.1
163.14868	5.5
164.53369	0.9
165.12766	2.1
167.10703	1.1
169.10091	1.3
169.12198	1.0
171.11717	3.2
173.13284	2.9
175.11151	1.9
175.14844	3.9
177.12816	2.5
177.16432	1.4
179.10794	1.0
179.14362	1.9
181.12233	1.6
185.13264	4.2
189.12820	2.4
193.08640	1.0
193.12416	1.6
195.13826	1.8
199.14890	1.9
203.14348	1.8
207.13815	1.8
209.38065	0.8
213.12782	1.4
213.16348	1.4
217.15819	1.0
217.19443	1.6
221.13376	1.1
221.15421	3.4
231.17645	0.9
231.21223	1.0
235.13226	1.1
235.16960	5.4
241.19502	3.3
247.14929	1.0
249.42461	0.9
257.26566	1.8
259.13321	2.6
259.20636	8.9
259.27280	4.5
261.97913	0.8
277.14575	11.4
277.18475	3.5
277.21677	89.7
277.28287	95.6
278.22000	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	277.0688
Annotation	Unknow
Peak:m/z	Relative Intensity
68.31205	6.8
70.84959	12.5
70.85287	8.6
72.08165	11.4
73.91360	5.6
81.03038	6.1
84.08125	9.2
98.97549	8.9
101.00879	32.6
104.96004	6.2
113.00863	8.7
119.01909	37.1
131.01967	15.8
133.03479	14.3
133.21910	7.1
141.56210	7.0
143.01909	27.1
145.03479	10.5
155.40891	7.3
161.03006	35.4
173.02927	15.8
175.04491	9.0
217.01839	12.2
235.03101	7.3
245.05034	13.2
277.03342	66.6
277.07022	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1285
Annotation	Itoside M
Peak:m/z	Relative Intensity
55.01863	20.6
55.05508	11.3
56.05026	6.6
61.02916	13.5
67.05488	6.0
69.03417	20.3
69.07066	14.7
70.06599	11.9
71.49977	7.5
72.08130	20.6
73.02925	67.1
74.75218	5.1
76.47564	5.7
79.05491	14.0
81.03409	14.6
84.04498	8.1
84.08147	13.8
85.02914	100.0
86.09715	28.3
89.03935	9.0
89.10799	5.7
91.03902	4.7
91.05484	12.3
97.02898	22.8
97.06531	51.5
105.07055	6.6
109.02898	7.1
114.10264	15.7
115.07587	76.5
117.03325	6.1
119.04926	10.1
120.08115	16.3
127.03893	14.1
131.04919	7.3
133.02902	8.1
135.04359	7.5
145.02795	8.1
145.04971	26.2
146.06020	10.3
146.99866	5.1
147.04424	82.7
149.02354	8.1
160.07579	10.3
161.02310	15.0
163.03960	30.0
164.07382	12.7
173.02338	27.1
174.05472	6.3
205.99158	7.7
215.07076	36.5
234.06593	5.3
234.99091	8.2
235.17061	7.8
260.13715	7.2
277.00092	9.1
277.11014	8.7
277.16632	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1661
Annotation	p-Coumaroylagmatine
Peak:m/z	Relative Intensity
55.63035	0.3
60.05653	3.4
70.18069	0.7
72.08160	10.2
83.91840	0.3
86.24752	0.3
89.10803	1.1
91.04970	0.6
91.05488	5.2
97.07664	2.1
98.06049	0.8
114.10300	22.5
115.08697	3.4
119.04948	20.3
131.12932	4.2
139.97896	0.4
147.04417	100.0
148.04736	0.6
157.10860	0.4
217.13377	4.1
218.11740	4.8
228.08046	0.4
235.14409	0.9
260.13974	8.9
277.16611	50.9
278.17023	0.6
296.19046	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.54582	0.3
60.05650	3.1
69.83095	1.9
72.08157	9.4
72.37665	0.3
74.59962	0.3
89.10796	1.2
91.04966	0.6
91.05482	5.5
97.01952	0.3
97.07660	1.9
98.06058	0.7
114.09486	0.7
114.10296	19.4
115.08698	3.0
119.04951	20.2
120.08103	0.4
131.12943	4.0
147.04417	100.0
148.04723	0.9
157.10925	0.4
171.88594	0.3
217.13405	4.0
218.11739	4.1
235.14484	0.6
260.13959	8.9
277.16614	49.5
278.16977	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1799
Annotation	[6]-Shogaol
Peak:m/z	Relative Intensity
53.03950	1.0
55.01597	0.5
55.01869	10.1
55.05512	5.3
57.07073	1.3
65.03951	0.3
67.05507	6.1
69.03432	0.7
69.07073	4.1
69.74483	1.2
71.04979	0.3
71.08653	0.4
74.15968	0.3
77.03944	0.3
79.05496	11.2
81.03447	0.3
81.07058	41.4
82.07410	0.3
83.04983	1.8
83.08628	2.3
85.06540	0.4
91.05480	4.3
93.07045	8.2
93.07636	0.4
95.04964	1.0
95.08607	5.6
97.06536	1.4
97.10268	0.3
98.20826	0.4
101.09685	0.3
105.03402	0.3
105.07027	4.1
107.08601	4.9
109.06524	14.7
109.10159	2.8
111.04446	10.8
111.05220	0.6
111.08084	0.9
113.05985	0.3
117.07037	0.5
119.08588	4.9
121.06619	0.3
121.10140	4.2
123.08082	1.4
123.11740	1.5
125.05995	3.4
125.09626	0.3
129.06993	0.6
131.08568	1.9
132.90768	0.3
133.10141	4.6
135.08020	2.0
135.11703	4.8
137.05981	100.0
137.13263	1.3
138.06268	0.7
139.07549	0.6
142.07785	0.6
143.08562	1.3
145.10138	1.5
146.07262	0.4
147.04395	0.6
147.08046	1.2
147.11693	4.6
149.09621	2.6
149.13284	1.9
151.07555	2.9
151.11212	0.8
156.09425	0.3
157.10156	1.4
159.08086	0.3
159.11726	0.9
160.08936	0.3
161.09607	4.4
161.13254	1.7
163.11180	2.3
163.14799	0.8
165.09158	1.7
165.12791	0.3
167.10695	0.8
171.11681	1.1
173.13298	0.4
175.11182	3.6
175.14908	0.9
177.09099	0.4
177.12758	0.5
179.10725	1.8
181.12256	0.7
185.13246	0.5
189.12750	1.0
193.12222	0.7
195.13808	0.3
197.13269	0.3
203.17947	3.9
207.13689	0.3
213.16458	2.3
221.13403	0.3
221.15378	0.5
221.19032	1.0
223.14809	0.6
231.17451	5.5
238.90921	0.3
241.15909	0.9
249.18506	2.8
277.17987	6.2
277.21594	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0324
Annotation	Unknow
Peak:m/z	Relative Intensity
70.79457	31.0
88.86672	15.0
101.00886	29.1
114.88291	14.3
119.01968	31.6
128.68947	14.3
133.03471	19.7
143.01898	31.2
161.02998	24.1
173.02919	16.2
219.51227	15.3
237.32281	13.6
261.01474	16.2
267.16394	16.5
277.03400	82.7
277.07074	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55547	3.2
63.54859	3.1
70.31165	7.5
78.18863	3.3
94.93018	6.2
101.00898	5.6
102.05452	3.8
116.04712	9.4
119.01933	5.2
133.03467	4.5
140.06801	5.9
145.03517	3.8
160.03703	12.9
161.02986	5.2
234.69418	3.6
244.87595	3.2
277.03125	28.2
277.09177	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0323
Annotation	Unknow
Peak:m/z	Relative Intensity
65.97622	6.5
68.55726	8.7
69.41742	47.6
75.12878	6.2
78.81846	6.1
96.89807	6.8
98.21498	13.7
101.00864	14.0
102.57150	7.3
105.55495	6.7
119.01980	8.0
121.01654	8.8
122.02066	7.2
133.03450	10.5
134.93127	6.5
145.03439	8.5
161.02940	10.4
186.59776	7.4
212.76512	7.6
216.65491	8.2
264.06125	7.8
265.24564	8.0
277.03085	20.2
277.09018	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08094	13.3
61.66732	14.5
70.26740	51.9
98.20802	19.9
138.54645	13.7
164.37912	14.2
216.81401	14.3
277.03204	62.0
277.09232	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41391	0.6
53.03946	1.3
55.01880	0.8
55.05513	9.9
56.05041	2.3
59.20487	0.7
65.03918	0.7
67.05509	29.8
69.03437	0.9
69.07076	7.9
70.06588	5.3
71.02460	1.3
71.04993	3.2
72.08159	5.8
79.05496	12.5
81.07061	32.0
83.04995	1.0
83.08624	7.1
84.04521	1.9
84.08140	6.3
85.06573	1.4
86.09731	2.7
91.05479	4.3
93.07047	13.8
95.04993	0.8
95.06113	3.1
95.08610	32.2
97.06532	2.1
97.10183	4.2
98.06070	0.8
98.09715	1.7
99.08141	0.8
103.05472	0.7
105.07053	2.3
107.04946	1.3
107.08600	7.5
109.06544	1.1
109.10169	7.8
112.08733	1.6
114.10304	2.3
119.05009	3.5
119.08584	2.1
120.08113	3.6
121.06502	1.5
121.10151	8.3
123.08070	1.9
123.11720	1.5
129.10258	2.8
129.57727	0.7
131.08592	2.1
135.08026	1.1
135.11713	1.7
138.06628	1.1
145.10135	3.0
147.04410	14.5
149.09605	1.4
149.98198	0.6
159.11710	0.8
163.14851	2.4
172.37462	0.7
175.14827	0.7
180.17450	0.8
181.15872	0.7
187.14841	1.9
194.19107	0.9
196.20615	20.1
198.18533	11.0
217.13452	0.8
222.18544	14.6
240.19606	11.3
247.74243	0.6
258.20667	100.0
259.20978	1.5
260.14178	0.9
276.21719	65.9
277.16559	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	275.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86796	0.7
53.03921	2.4
53.67929	0.8
55.05280	1.1
55.05515	17.9
57.03400	0.9
57.07078	8.5
60.71933	0.7
65.03928	1.2
67.05509	33.0
69.07073	32.7
69.22779	5.9
69.23180	1.6
71.04982	0.9
71.08614	3.0
72.42742	0.7
79.05070	1.2
79.05499	18.6
81.03382	0.8
81.07062	100.0
83.04959	1.1
83.08175	1.0
83.08630	14.3
85.10180	1.4
89.42957	0.7
90.09709	0.9
91.05486	14.9
93.06486	1.4
93.07052	22.7
94.37350	0.9
95.04966	2.0
95.08614	85.5
96.14621	0.7
97.06536	1.7
97.10181	10.2
98.20776	1.2
103.05469	1.0
105.07043	18.2
107.05001	1.8
107.08597	23.9
109.06524	1.8
109.10166	57.1
110.15920	0.8
111.11738	7.6
117.07040	4.1
119.08595	13.1
121.06502	2.4
121.10147	14.7
123.08052	1.0
123.11712	29.1
125.13271	1.4
129.07045	1.6
130.45331	0.8
131.08566	6.3
133.10126	11.6
135.08031	2.3
135.11697	13.7
137.09711	1.1
137.13258	9.8
143.08578	1.0
145.10127	5.5
147.08122	1.2
147.11711	6.5
149.09647	1.8
149.13261	9.2
151.14835	5.7
155.08598	1.0
157.10123	1.4
159.11702	4.4
161.09605	1.0
161.13222	2.7
163.11157	1.2
163.14824	6.6
165.16383	1.8
171.11749	1.2
173.13248	3.3
175.14882	1.5
177.16389	2.4
179.18102	0.9
183.11661	1.6
185.13181	1.0
191.14322	1.5
191.17973	1.0
197.13261	1.1
217.10107	0.8
219.17575	1.1
219.21048	2.9
229.19444	1.2
239.17992	1.6
245.13153	1.3
247.20757	1.0
257.19037	7.8
257.59180	0.9
260.15762	1.4
275.17825	2.2
275.20163	34.0
275.27411	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2009
Annotation	Dicranin
Peak:m/z	Relative Intensity
55.05519	16.7
57.07076	8.2
67.05507	19.4
69.03426	4.8
69.07061	14.4
69.19283	37.2
71.05796	3.4
79.05499	33.7
81.07050	20.1
83.04977	16.2
83.08639	4.6
85.06552	33.7
91.05481	20.8
93.07053	26.6
95.04987	5.3
95.08607	19.0
98.21474	7.3
99.08099	13.9
105.07040	27.5
107.04931	8.9
107.08591	27.7
109.06481	5.0
109.10177	19.8
111.08066	3.9
117.07015	4.7
118.40777	3.9
119.08582	29.7
121.06552	6.9
121.10155	26.5
121.42036	3.7
122.07293	15.7
123.08057	5.7
125.09621	9.8
125.82041	3.3
129.56813	3.6
131.08588	16.1
133.10133	25.5
135.08044	4.9
135.11700	11.2
137.09631	87.8
143.08571	5.6
145.10127	19.1
147.11700	9.9
149.09608	12.2
149.13286	4.2
151.11195	5.0
159.08080	4.6
159.11725	13.3
163.11182	13.9
163.14851	9.9
169.10124	5.9
173.09743	4.6
173.13290	12.9
175.14888	4.1
177.12794	3.6
187.11308	4.7
187.14862	4.6
191.14343	13.0
201.12727	9.7
215.14255	6.5
217.15915	11.4
219.13820	13.1
229.19588	5.3
239.17767	3.7
257.19125	10.3
275.20096	100.0
275.27722	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03937	2.9
55.01865	3.0
55.05519	12.5
57.03430	1.9
57.07059	0.9
58.86109	0.8
59.53799	0.8
62.94397	0.9
65.03944	1.5
67.05510	19.7
69.03415	1.1
69.07076	9.3
70.01145	2.7
70.01561	1.9
71.04981	2.1
71.60220	1.0
79.05501	22.4
81.07060	22.3
83.04977	2.1
83.08621	7.1
85.06570	1.3
91.05483	40.6
91.83743	0.7
93.07056	22.9
95.04971	3.7
95.08617	12.9
97.06563	4.9
97.10175	2.2
103.05480	1.3
105.07038	57.0
107.04942	3.8
107.08603	15.9
109.06532	4.4
109.10181	7.7
111.08060	1.6
117.07014	10.8
119.08591	34.5
121.00510	1.0
121.06477	3.4
121.10150	7.1
123.08080	3.2
123.11758	1.0
125.09666	1.1
128.06215	1.6
128.39929	0.8
129.07018	2.0
131.08571	14.1
132.09384	1.1
133.06464	1.0
133.10138	36.8
135.08061	3.0
135.11688	3.5
137.09602	3.1
141.07013	1.4
143.08568	1.4
145.10135	13.9
145.23494	0.9
147.08052	2.2
147.11688	21.4
149.09633	6.8
151.11180	3.9
155.08554	2.3
157.10124	2.8
159.11729	7.5
161.09561	2.2
161.13240	6.3
163.11171	5.4
165.09192	1.1
165.12679	1.4
169.10135	1.5
171.11682	3.0
173.02654	1.0
173.13260	5.7
175.11237	1.1
175.14738	1.4
177.12735	2.7
183.11742	2.1
187.11261	1.1
189.12764	1.7
191.14333	1.6
193.12120	1.4
197.13313	2.4
201.12680	1.1
211.14760	1.6
218.72343	1.0
219.13721	1.0
219.18457	1.0
229.19489	3.5
239.17924	4.9
247.20610	2.9
257.19070	10.4
261.22510	0.9
275.20081	100.0
276.20377	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	275.2007
Annotation	Dicranin
Peak:m/z	Relative Intensity
52.50950	3.3
55.05504	13.7
57.07059	6.4
59.04990	3.9
60.84279	3.1
65.82674	3.3
66.84723	3.9
67.05501	17.8
69.03421	10.2
69.07059	11.8
71.05010	4.3
71.09128	7.8
79.05151	3.2
79.05501	37.0
81.07071	16.5
83.04967	14.1
83.08618	7.1
85.06554	38.9
91.05470	13.2
93.07036	20.9
95.04984	4.2
95.08595	18.5
99.08078	13.1
105.07032	29.0
107.04982	5.3
107.08603	31.9
109.06490	8.5
109.10165	26.0
111.08097	3.8
113.09658	3.4
117.06999	4.4
119.08603	30.2
121.06501	10.8
121.10150	43.3
122.07259	16.0
123.08062	5.2
125.09626	6.2
131.08551	13.0
133.10158	29.3
135.08076	9.9
135.11685	15.9
137.09634	82.5
139.11220	5.0
143.08546	6.0
144.09344	3.1
145.10124	23.6
147.08009	4.9
147.11705	12.1
149.09647	23.9
149.13248	4.1
156.09354	4.7
157.10121	12.1
158.88950	3.2
159.08026	5.0
159.11699	19.4
161.09596	6.9
163.11179	15.8
163.14810	9.1
167.10786	3.7
171.11717	6.5
173.09691	7.0
173.12242	2.8
173.13300	30.0
175.11226	7.5
183.11713	3.7
187.11247	5.2
187.14810	9.1
191.14304	14.6
199.14810	6.8
201.12729	12.5
215.14290	7.6
217.15921	16.9
219.13815	12.8
229.19525	5.8
257.18994	23.2
275.20074	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03933	3.2
55.05518	12.5
57.07074	4.7
60.58403	1.4
67.05512	19.3
69.03416	6.6
69.07073	9.4
69.32059	7.7
69.32476	4.6
74.09651	1.4
79.05071	2.7
79.05495	33.5
81.07063	14.6
83.04988	15.6
83.08614	4.2
85.06083	2.2
85.06554	31.9
89.28432	1.7
91.05486	18.2
93.07046	16.6
95.04970	5.0
95.08613	15.4
97.06532	2.7
98.21514	3.4
99.08098	14.0
105.07037	28.6
105.31590	1.6
107.04961	10.9
107.08603	19.1
109.06506	4.2
109.10165	16.8
110.47898	1.5
111.08073	4.6
113.09653	1.6
117.07025	9.5
119.08598	26.2
121.06499	8.2
121.09339	2.9
121.10156	37.9
122.07294	17.8
123.08058	5.4
125.05936	2.2
125.09637	9.1
129.07027	2.0
131.08577	13.0
133.10135	22.0
135.08086	9.0
135.11700	13.9
137.09625	91.7
139.11232	7.3
143.08553	4.0
144.09276	2.3
145.10130	14.4
147.08044	3.0
147.11685	8.7
149.09630	11.1
149.13213	2.2
151.11212	1.6
155.08589	1.7
157.10129	4.0
159.08029	4.0
159.11684	14.7
161.09618	6.0
161.13307	3.6
163.11194	11.2
163.14813	7.5
170.10791	1.7
171.11699	4.2
173.13290	21.4
175.11180	4.2
175.14845	2.9
177.12738	5.6
183.11729	3.4
187.11134	5.0
187.14827	6.4
189.12811	2.5
191.14325	19.5
197.13292	2.4
199.14832	4.7
201.12758	9.6
215.14284	6.9
215.18071	1.9
217.15904	14.1
219.13795	16.6
229.19519	3.7
233.15289	2.0
239.17944	2.9
257.19052	15.2
275.20078	100.0
275.27618	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2009
Annotation	Dicranin
Peak:m/z	Relative Intensity
51.80189	1.8
53.03940	3.1
55.01866	4.6
55.05518	22.7
57.03436	2.6
57.07064	2.8
58.07827	2.0
67.05188	2.1
67.05512	25.5
69.03436	2.9
69.06683	2.4
69.07073	33.9
70.12547	2.1
70.39053	1.8
71.04994	4.8
71.15302	4.3
73.06548	2.2
73.47330	1.8
79.05503	31.7
81.07066	31.0
81.15701	1.9
83.04989	5.6
83.08604	7.6
85.06524	2.0
89.26020	2.2
91.05490	46.9
93.06502	1.9
93.07056	34.0
95.04958	6.5
95.08615	27.6
97.06527	6.7
97.10194	3.2
105.07045	56.7
107.04949	7.4
107.08589	27.6
109.06531	13.1
109.10159	10.5
111.04371	1.7
111.08072	4.1
117.07048	17.7
119.08582	40.2
121.06536	10.7
121.10146	15.3
123.08068	8.3
123.11684	3.7
129.07016	4.9
131.08569	20.8
133.10146	31.6
135.08099	8.9
135.11705	7.2
141.06972	3.1
143.08611	5.1
145.10156	26.5
147.08034	2.4
147.11703	26.8
149.09613	8.0
149.13245	3.2
154.52621	1.9
155.08566	4.5
157.10185	6.8
159.11713	16.3
161.09604	8.3
161.13272	8.5
163.11172	10.5
169.10075	4.0
171.11726	5.2
173.09666	4.7
173.13289	8.4
175.11162	3.1
175.14825	2.6
177.12779	5.9
179.10696	3.0
183.11678	4.2
187.11250	4.0
191.14278	5.4
197.13242	3.3
201.12782	4.4
207.13780	2.5
229.19521	13.0
239.17897	8.1
247.20552	10.9
257.19009	47.5
275.20074	100.0
275.27802	4.2
276.20490	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	275.2008
Annotation	Apo-13-zeaxanthinone
Peak:m/z	Relative Intensity
55.05504	4.1
57.03448	1.4
57.07076	1.4
67.05495	4.5
69.03443	1.5
69.07078	14.7
69.24744	6.8
69.25150	2.6
71.04992	2.8
79.05489	4.4
81.07077	5.6
83.04980	2.2
83.08615	2.8
85.06541	3.6
91.05486	8.0
93.07057	11.2
95.04992	1.6
95.08611	7.4
97.06535	3.2
105.07036	12.8
107.04988	1.9
107.08590	8.9
109.06522	4.4
109.10179	6.2
111.08092	17.9
111.11726	1.3
113.09675	5.1
117.07026	3.5
119.08592	9.9
121.06523	4.0
121.10159	8.1
122.07300	3.2
123.08076	16.5
123.11703	1.6
125.05965	1.1
129.07011	1.5
131.08582	12.2
133.10146	7.7
135.08072	24.4
135.11668	4.3
137.09598	1.3
139.11189	2.3
143.08585	3.4
145.10136	7.6
147.11676	7.6
149.09634	4.6
149.13248	1.8
156.09378	3.1
157.10118	4.3
159.11736	9.3
161.09665	2.9
163.11174	2.9
165.12761	2.4
168.09270	0.9
171.11703	15.9
173.13281	4.1
174.44017	1.0
175.14838	3.6
176.12012	5.0
177.12749	1.9
177.77104	1.0
181.12244	16.8
183.11729	2.3
184.12383	1.1
187.14873	2.0
189.12665	5.0
189.16409	1.2
191.14325	100.0
195.13597	1.1
197.13333	1.2
199.14793	5.2
201.12741	1.5
213.16322	1.7
215.17943	4.3
217.14105	1.0
217.15871	5.9
239.17973	2.4
254.95114	1.1
257.19083	7.1
275.20087	41.3
275.27750	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	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03949	1.9
55.01869	2.4
55.05515	13.7
57.03431	2.9
57.07077	5.1
67.05504	16.8
69.03439	2.1
69.07079	10.0
69.62650	1.3
70.03077	6.1
70.06580	4.1
71.04991	9.0
71.08620	1.4
71.11166	1.3
79.05496	16.2
81.07057	22.5
83.04971	4.6
83.08599	4.6
85.06540	5.5
88.07623	5.5
91.05482	39.3
93.07053	21.0
95.04974	4.9
95.08614	17.2
97.06530	3.4
97.10161	2.2
100.64453	1.3
102.09160	1.9
103.05470	2.1
105.07036	54.7
106.08681	2.9
107.04958	3.8
107.08575	19.3
109.06518	9.1
109.10149	9.2
111.08099	6.6
117.07024	12.2
119.08580	41.6
121.06498	2.5
121.10139	16.0
123.08059	2.4
123.11716	2.2
125.09626	1.7
128.06226	2.1
129.06978	4.3
131.08575	22.8
132.09413	1.7
133.10139	36.8
135.08037	10.7
135.11711	5.1
137.09616	4.3
139.11150	1.4
141.07036	2.6
142.07829	2.9
143.08589	7.1
144.09373	2.1
145.10121	19.8
147.11690	19.1
149.09633	7.0
151.11153	1.6
155.08603	2.4
156.09306	2.1
157.10124	12.2
157.80000	1.5
158.10905	5.2
159.11697	26.5
161.09648	3.9
161.13261	6.4
163.11177	4.5
165.09085	1.5
168.09370	1.6
169.10121	2.8
171.11707	7.7
173.13271	27.4
173.67108	1.3
174.14030	2.3
175.11220	5.1
175.14842	3.3
177.12770	5.2
183.11740	7.9
185.13283	3.7
187.11226	4.8
187.14844	3.7
191.14322	7.6
197.13229	5.0
199.14752	7.2
201.12813	4.1
203.14294	1.5
213.16409	2.2
215.17891	3.0
217.15846	2.6
229.19536	2.0
237.81902	1.3
239.17865	7.1
247.20737	1.5
251.36476	1.3
253.85487	1.4
257.19019	18.8
257.26691	2.7
275.20074	100.0
275.27768	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.02385	0.9
53.03938	2.2
55.01863	2.2
55.05513	14.2
55.23203	0.7
57.03424	1.5
57.07063	3.3
65.03938	0.9
67.05193	1.0
67.05514	15.8
69.03400	0.8
69.07069	9.6
69.82435	3.2
69.82848	1.8
70.06575	2.7
71.04998	2.6
71.06883	1.3
79.05072	1.4
79.05499	17.6
81.03413	0.9
81.07054	17.8
83.05000	1.7
83.08627	4.9
88.07636	4.7
89.07970	1.0
91.05483	43.1
93.07045	17.9
95.04969	2.0
95.08602	11.9
97.06541	1.7
97.10146	2.7
98.20852	1.5
103.05456	1.7
105.07033	65.2
106.08666	2.3
107.04944	3.3
107.08591	13.4
109.06491	1.9
109.10150	4.9
115.05360	0.9
117.06999	9.0
118.07836	1.2
119.08581	35.6
121.06492	3.2
121.10136	6.4
123.08101	1.4
123.11704	2.0
128.06207	0.8
129.06981	1.5
129.92665	0.8
130.07794	1.3
131.08583	13.4
132.09329	1.2
133.06578	0.9
133.10135	41.4
135.08031	2.3
135.11722	2.6
137.09648	1.3
139.11296	0.8
141.07002	1.7
143.08563	3.8
145.10121	16.6
147.08029	1.2
147.11690	26.7
149.09601	4.1
155.08527	1.6
157.10114	3.2
159.11668	9.7
161.09624	1.3
161.13264	5.7
163.11241	2.7
167.99765	0.9
169.10139	1.1
171.11673	2.4
173.13229	5.2
175.11185	2.0
177.12787	1.8
183.11699	3.4
185.13307	1.5
187.11118	1.0
187.14774	0.9
189.12749	0.8
197.13231	2.0
201.12791	0.9
215.17854	1.1
228.96361	1.1
229.19440	1.2
233.15445	0.9
239.18054	2.7
247.20424	0.9
257.18994	8.0
257.26648	3.2
257.29050	0.9
275.20071	100.0
275.27768	39.1
276.20642	1.1
292.30289	0.9
298.04514	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03953	1.4
55.01871	2.5
55.05514	10.6
57.03439	1.1
57.07064	0.9
64.46785	0.4
65.03931	1.1
67.05510	15.5
69.07076	8.4
69.78255	0.5
70.01439	0.7
70.01775	2.1
71.04983	1.9
73.06564	0.6
73.56844	0.6
79.05498	17.0
81.03398	0.7
81.06595	0.9
81.07063	16.4
83.04974	2.1
83.08622	4.5
85.06542	1.5
86.57522	0.5
91.05487	38.5
93.07045	17.1
95.05013	2.5
95.08604	11.0
97.06528	2.1
97.10150	2.4
98.20840	0.8
103.05472	1.1
105.07039	59.9
106.07307	0.6
107.04960	2.0
107.08599	12.2
109.06522	2.4
109.10170	4.4
111.08069	1.6
113.87940	0.5
115.05405	0.8
117.07027	10.6
119.08589	34.3
121.06503	1.8
121.10151	7.3
123.08097	1.7
123.11707	1.5
125.09618	1.1
128.06171	0.9
129.07001	2.1
131.08575	13.8
132.09296	0.6
133.06441	0.9
133.10136	32.8
134.10489	0.8
135.08075	2.5
135.11697	3.1
137.09628	2.1
139.11194	0.7
141.06963	0.8
143.08540	3.2
145.10127	13.9
146.10910	0.7
147.08063	0.8
147.11705	21.5
149.09622	4.3
149.13312	0.6
151.11166	1.0
155.08516	0.9
157.10167	2.6
159.10466	0.8
159.11705	9.5
160.12492	0.7
161.09633	1.7
161.13269	7.6
163.11230	3.0
169.10158	1.2
171.11682	2.8
173.13264	4.7
175.11206	1.2
175.14871	1.5
177.12767	1.1
183.11696	2.3
185.13289	1.6
187.11203	1.1
187.14874	0.8
193.12274	0.6
197.13289	2.2
199.14873	0.7
201.12752	1.0
205.12256	0.8
211.14842	0.6
213.16373	0.8
215.14355	0.5
215.17911	1.1
217.16010	0.9
219.13826	0.9
229.15929	0.7
229.19565	2.4
233.15453	1.6
239.17979	2.8
247.20589	2.0
257.19009	6.9
275.20087	100.0
276.20496	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	275.2007
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03952	1.7
55.01857	1.4
55.05275	0.9
55.05515	13.4
57.03428	3.3
67.05508	14.4
69.03410	0.8
69.07075	8.2
69.82612	0.7
70.01768	3.8
71.04980	2.5
79.05074	1.2
79.05500	13.3
81.07059	15.6
83.04993	1.3
83.08624	6.2
87.61154	0.7
91.05489	38.4
93.07055	14.5
95.04955	1.5
95.08611	13.0
97.06538	1.2
97.10146	2.3
98.97585	1.0
103.05473	1.9
105.07042	62.7
107.04958	1.1
107.08609	12.7
109.06504	1.2
109.10160	5.2
117.07025	9.5
119.08594	36.1
121.06515	1.3
121.10163	6.9
123.08078	1.2
123.11704	1.8
129.07018	3.3
131.08583	11.8
133.10144	32.6
135.11722	3.1
137.09604	0.9
141.07031	0.9
143.08574	2.4
145.10129	13.1
145.11278	1.0
146.10954	0.9
147.11697	33.8
149.09628	3.3
149.13271	2.2
155.08531	1.6
157.10126	3.0
159.11697	12.9
161.09555	1.1
161.13272	6.7
163.11235	1.4
164.99527	0.8
169.10141	1.1
171.11696	1.5
173.13284	4.0
175.11284	0.9
175.14867	1.8
181.12318	1.1
183.11790	1.8
185.13266	4.2
197.13274	2.0
201.16426	0.9
203.14355	3.4
211.14838	1.3
215.14632	0.7
219.13921	0.8
219.17625	0.8
239.17943	3.9
257.19037	10.3
259.88605	0.8
275.20087	100.0
275.27618	3.0
276.20389	1.7
281.16745	0.8
293.13828	0.8
298.68088	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2009
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.74412	0.8
52.96863	0.7
53.03948	1.4
54.50330	0.7
55.01868	2.2
55.05274	1.1
55.05518	14.9
57.03420	2.4
57.07063	1.1
57.34201	0.8
65.03933	1.0
67.05510	19.8
69.06798	0.7
69.07076	9.3
70.62451	1.7
70.62820	1.6
71.04977	1.4
77.03897	1.1
79.05499	21.2
81.07062	18.0
83.04982	1.7
83.08651	4.8
85.06539	1.9
91.05489	47.2
93.07050	19.6
95.04980	2.9
95.08616	12.0
97.06549	1.9
97.10155	3.0
103.05476	2.7
105.07041	69.3
107.04966	4.3
107.08598	12.1
109.06505	2.0
109.10181	6.2
111.08067	1.1
117.07026	10.0
119.06184	0.9
119.08597	33.9
121.06508	4.1
121.10159	4.1
123.08061	1.3
123.11703	0.9
125.09706	1.7
128.06186	1.0
129.06982	3.3
131.08580	18.8
133.10143	45.1
135.08055	2.7
135.11699	3.7
137.09634	1.2
141.06970	1.3
143.08574	2.4
145.10136	15.1
147.08072	2.0
147.11705	24.2
149.09622	10.0
151.55661	0.8
155.08556	2.0
157.10139	2.6
159.11726	9.2
161.13248	5.5
163.11194	2.6
169.10196	2.2
171.11707	4.1
173.13278	3.7
173.70949	0.9
175.11201	1.6
175.80914	0.7
177.12685	1.3
183.11707	3.4
185.13283	1.6
187.11235	1.3
189.12724	1.2
191.14143	0.9
197.13239	1.4
206.70367	0.8
213.16324	0.8
215.14180	1.4
229.15945	1.1
229.19485	1.2
233.15375	1.4
239.18005	4.2
257.19009	9.8
275.20084	100.0
276.20380	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	275.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12229	0.9
58.99856	1.9
62.35436	1.1
65.03938	2.3
67.05504	1.8
68.72704	1.0
70.69496	2.8
77.09734	1.0
82.99843	10.3
83.04959	1.6
84.08131	4.2
85.01395	1.6
89.04363	1.0
93.03410	1.9
95.04961	4.2
95.74845	1.1
97.02895	2.5
99.02980	0.9
101.00889	75.0
102.00950	1.1
103.02451	1.8
107.03423	1.2
109.01382	4.3
111.04436	1.4
113.00887	1.7
115.02419	1.1
117.04037	2.5
119.01929	90.5
120.01986	1.2
121.02881	6.4
125.04533	1.4
127.02424	32.1
129.00360	1.2
129.03978	1.6
129.10242	2.6
131.01889	1.8
137.02963	7.7
139.02444	3.5
139.03946	1.6
141.03984	3.6
142.03543	1.4
143.01860	7.8
143.05577	1.3
145.03473	55.7
145.98720	1.0
147.01360	2.4
151.02406	4.2
151.98203	1.0
153.03955	4.6
157.03474	12.5
159.05058	16.2
161.02998	6.4
163.04523	3.7
167.01938	5.3
169.03473	80.4
171.01422	5.6
171.05037	10.3
175.04543	2.2
177.06120	2.6
179.01900	3.4
185.02983	27.0
185.04613	2.1
185.06514	2.9
187.04533	81.6
188.04668	2.1
189.02451	7.7
189.06073	1.1
195.01175	1.4
195.04991	6.6
197.02966	16.1
200.07668	1.1
203.02325	2.2
203.04031	6.1
205.05550	7.0
205.07236	1.2
207.03455	2.0
210.06160	1.0
211.04480	6.1
213.02429	7.4
213.06088	3.8
215.00587	1.0
215.04016	13.9
221.03003	4.2
229.05597	49.8
231.03395	7.0
231.07013	1.1
233.01328	1.8
239.04016	3.5
247.06645	20.0
249.04582	2.3
257.05060	3.1
262.45493	1.1
275.02853	4.2
275.06131	100.0
276.06543	2.3
293.03839	1.9
293.07236	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	275.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08096	0.8
54.09383	0.8
58.99853	1.0
65.03934	1.5
67.05495	2.1
69.03443	1.0
70.81577	0.8
70.81898	2.0
74.25069	1.0
82.99842	9.8
83.04991	2.4
84.04514	1.3
84.07702	0.8
84.08140	5.2
85.01427	2.4
86.99355	1.1
93.03426	2.4
95.04963	3.4
99.02960	1.7
99.44209	0.9
101.00890	71.9
102.00960	1.0
103.02468	1.5
105.84951	0.9
109.01422	2.7
111.03011	0.9
111.04424	1.4
113.00906	1.2
115.02417	1.2
117.04025	4.1
119.01932	88.2
121.02895	5.9
125.04550	1.0
125.16447	0.8
127.02431	31.4
129.03987	2.5
129.10260	1.3
131.01907	1.6
133.93385	0.9
135.05003	1.2
137.01947	1.3
137.02963	9.2
139.02423	2.6
139.03935	1.8
141.03979	2.8
143.01898	7.2
143.05534	1.2
145.03474	55.2
146.03674	1.1
147.01385	2.4
149.19730	0.9
151.02414	3.7
153.03987	3.4
155.01892	1.0
157.03464	8.9
159.05049	20.3
161.02988	7.1
163.04535	3.6
167.01880	4.5
169.03474	76.3
170.03555	2.2
171.01360	5.9
171.05052	9.9
173.02988	1.2
175.04538	1.8
177.00975	2.0
177.06076	2.8
179.01842	1.9
179.04028	1.0
179.61691	0.8
185.02969	30.5
185.06609	3.3
187.04538	78.2
188.04765	1.4
189.02423	9.5
189.06123	1.6
193.03587	1.4
195.05023	7.0
197.02975	14.0
203.02457	1.7
203.04047	6.4
205.05576	7.0
207.03442	2.6
210.06189	2.3
211.04520	5.3
213.02489	5.9
213.06081	3.1
215.04025	13.4
221.02936	3.7
229.05586	46.5
230.05763	1.2
231.03511	7.8
239.04025	3.8
247.06656	21.2
249.04582	1.9
251.99718	1.0
257.05081	4.1
275.06134	100.0
276.06238	3.0
293.07111	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	274.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45447	0.6
55.05509	2.0
56.05042	1.1
56.96556	0.8
57.03443	0.7
60.04512	1.5
60.05648	1.9
67.05488	1.0
68.05021	1.1
69.03432	1.1
69.07076	3.8
70.06591	16.1
70.29345	1.7
70.30097	0.6
71.06936	0.8
72.08163	10.5
82.06603	0.7
83.06107	1.2
84.04506	3.0
84.08152	7.3
86.09710	100.0
91.05499	0.9
93.07063	0.7
95.04956	1.0
95.06093	4.4
98.06063	2.0
98.21485	0.8
98.97588	0.8
99.04463	1.6
100.07622	14.5
102.05544	0.7
107.04957	1.8
107.82980	0.6
110.07164	2.1
112.07608	1.5
112.08730	4.3
112.11244	1.0
114.09200	0.8
115.08709	1.2
116.07124	2.1
120.08160	1.6
123.04473	1.3
127.03933	3.7
128.07086	26.7
129.10271	2.0
130.09818	0.8
136.07591	1.4
140.07085	1.8
142.08659	0.7
142.09779	1.2
154.09784	1.4
157.13374	56.9
158.09299	1.6
159.06531	2.4
161.09212	1.8
163.03885	1.5
168.06572	2.0
175.11911	6.0
185.12865	17.2
203.13971	1.8
228.12468	2.4
255.83781	0.7
256.08441	1.0
256.11816	0.8
256.15512	2.9
257.02734	1.0
257.16016	1.3
273.06735	0.7
274.12921	6.9
274.16388	1.6
274.18878	10.2
274.27457	2.6
275.10904	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90431	21.4
55.60896	23.8
56.96555	69.1
64.59959	17.7
70.04865	63.0
70.05254	48.5
70.98148	95.2
79.87283	17.7
82.65598	21.9
84.08135	76.3
88.75407	20.0
98.20887	23.5
98.97553	34.9
100.46475	18.7
101.00879	48.4
113.00884	35.4
119.01938	100.0
119.66308	20.5
127.02440	27.3
128.98598	38.2
145.03452	65.4
159.04956	20.9
169.03439	33.6
172.97597	79.7
181.56659	21.2
185.02927	27.7
187.04523	39.7
190.98547	26.0
213.02484	37.2
218.98125	34.2
229.05490	31.7
231.86955	24.0
232.99632	36.8
275.01797	40.6
275.06140	65.2
293.03537	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	274.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31239	0.8
53.03948	1.2
55.01869	1.5
55.05529	2.2
56.05046	2.0
56.28968	0.9
57.03443	1.5
57.07061	1.2
60.05655	1.9
67.05503	7.4
68.05020	3.4
69.03417	1.1
69.07066	1.7
70.06603	11.0
70.58019	2.0
70.58354	1.2
71.04977	1.1
72.08160	25.9
73.02924	1.0
79.05518	6.9
80.05019	2.1
80.78843	1.0
81.03407	2.8
81.07066	7.3
82.06588	2.9
83.04973	1.8
84.04496	3.7
84.08144	4.5
85.02863	1.5
85.06519	1.2
86.09720	5.0
87.04475	1.6
91.05471	1.0
93.03421	1.8
94.06584	2.1
95.04974	8.5
95.06091	2.0
97.02885	2.8
97.06524	2.1
98.06063	24.0
99.04500	0.9
100.45341	0.9
101.00866	1.8
106.06542	1.8
107.04971	5.6
110.06072	2.2
110.07117	1.1
110.09667	2.5
111.04415	1.5
112.07617	1.1
112.08710	2.4
115.08745	1.5
116.07101	2.2
119.01910	2.7
122.06010	2.7
123.04454	4.8
124.07610	1.7
124.11238	3.2
125.06000	2.2
128.07074	2.0
129.10277	1.6
134.05948	1.3
136.11205	1.1
140.07123	1.1
140.10735	1.1
141.05550	1.6
148.11246	2.2
148.74223	1.0
149.05983	3.6
151.07588	5.1
151.74072	1.0
152.10695	3.9
154.12263	6.4
158.08141	11.0
158.09279	2.2
159.05046	1.1
166.08620	2.0
166.12248	2.7
170.11769	5.3
175.11900	3.0
176.10716	3.3
178.12189	1.2
184.13283	1.9
194.11844	6.9
196.13324	21.2
212.12833	28.5
220.13303	6.0
230.13895	17.5
238.14325	5.1
256.15460	100.0
274.16470	75.3
274.18704	4.6
275.16867	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	273.1851
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
51.76630	1.1
53.03939	2.4
54.32665	1.1
55.01861	1.1
55.05522	7.4
57.07066	4.5
57.20049	1.2
57.39933	1.2
59.04996	2.1
65.03951	2.1
66.81603	1.1
67.05514	10.7
67.16333	1.2
69.03422	3.4
69.07074	9.3
69.35148	8.1
69.35550	1.9
70.78255	1.1
71.05000	3.0
72.35107	1.2
79.05507	12.8
81.03396	1.5
81.07066	14.5
83.04992	7.0
83.08618	3.8
84.08139	1.1
85.02922	1.8
85.06538	4.0
86.09748	1.1
91.05492	20.4
93.07054	17.4
95.04967	4.7
95.08611	12.4
97.06519	1.8
98.97573	1.1
103.05451	2.4
105.07037	31.3
107.04942	2.6
107.08601	19.8
109.06535	21.4
109.10189	6.4
111.04458	1.5
111.08071	2.6
115.05460	2.5
117.05709	1.1
117.07024	8.1
119.04929	3.5
119.08597	28.3
121.06562	1.3
121.10160	15.6
123.08073	3.0
123.11696	2.8
125.09617	1.9
128.06235	5.6
129.07021	10.3
130.07787	3.4
131.08568	16.0
133.06497	12.2
133.10133	14.4
135.08078	11.2
135.11700	4.8
137.09627	2.8
141.06964	6.3
142.07799	9.0
143.08565	20.7
144.09340	3.1
145.10139	21.5
147.04422	7.7
147.08069	4.6
147.11703	14.5
149.09639	6.8
149.13303	2.2
153.01842	15.3
153.06969	2.6
154.07776	2.7
154.74899	1.7
155.08566	14.5
156.09369	17.5
157.10146	27.6
158.10909	3.9
159.08060	4.6
159.11703	11.3
161.09630	6.9
161.13304	3.0
163.11209	3.0
163.14815	2.0
165.07033	4.0
166.07806	2.1
167.08623	5.9
167.10715	2.1
168.09386	2.1
169.10138	18.4
170.10979	6.3
171.11697	32.7
172.12482	4.0
173.09654	18.2
173.13274	7.1
174.10391	3.0
175.11218	11.3
175.14871	1.4
179.08514	2.4
180.09303	2.4
181.10118	8.3
182.10912	10.3
183.11667	9.9
184.12469	2.3
185.09677	3.5
185.13310	11.0
186.10414	1.4
186.14052	1.8
187.11198	3.5
187.14810	3.9
189.12727	17.2
189.16402	2.7
193.10095	1.9
194.10994	1.7
195.11731	9.1
196.12477	5.4
197.13264	42.7
198.14037	6.1
199.11229	18.1
199.14842	1.8
201.12750	1.6
203.18047	1.6
207.11688	4.1
209.13312	4.1
211.11456	1.5
211.14848	17.9
212.12099	2.1
212.15642	12.0
213.12939	6.7
213.16408	26.0
214.13580	3.0
215.14330	12.2
215.17928	1.4
217.12321	1.7
222.14043	5.0
225.12798	6.1
227.14339	10.4
227.17929	2.9
229.15878	8.2
230.16695	3.2
231.17526	6.3
237.16458	10.5
240.15141	7.4
245.19107	1.5
255.17465	60.6
273.07645	11.2
273.18521	100.0
273.25735	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	273.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96101	1.1
53.03935	4.4
54.52236	1.0
55.01626	1.8
55.01873	17.5
55.05510	4.8
57.03197	1.7
57.03442	22.5
64.76273	1.1
65.03931	2.5
67.05514	14.8
69.03418	5.2
69.07068	1.8
69.14446	12.3
70.06603	7.7
71.04993	6.4
72.08165	5.8
77.03938	2.4
79.05495	54.7
81.03436	5.4
81.07061	7.0
83.04973	3.2
84.04501	3.4
84.08157	8.6
85.02900	3.0
86.09705	11.5
91.05485	55.3
93.03405	1.1
93.07046	57.2
95.01337	1.9
95.04964	5.0
95.06107	17.5
95.08607	3.6
96.05841	1.8
96.06432	6.9
97.06541	1.5
97.10155	1.2
98.21532	2.4
99.04463	1.5
103.05450	2.1
105.03386	2.4
105.04518	2.3
105.07025	3.9
106.03663	1.2
107.04961	48.2
107.08597	43.3
109.06509	2.6
109.10155	1.4
111.04437	3.1
111.08151	1.3
112.08730	8.6
113.06023	1.1
115.05469	9.3
116.07148	1.2
116.23452	1.2
116.42730	1.1
117.07022	51.3
119.04951	4.3
119.08587	3.2
121.06516	12.4
125.09631	20.0
129.10234	3.6
130.06543	1.1
135.08061	100.0
141.13931	1.1
143.74481	1.4
145.06494	20.6
146.65569	1.2
147.04446	1.8
153.09117	31.7
159.09198	1.8
163.03935	4.7
163.07556	59.7
179.09270	1.1
181.08600	15.8
185.07297	1.5
199.09625	1.6
227.08400	1.4
237.11116	1.2
245.09081	1.7
245.11226	9.5
255.12373	4.9
256.10602	1.4
273.10767	3.9
273.13348	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.0
53.03955	4.9
55.01875	13.9
55.05518	6.3
57.03440	21.0
60.39080	1.1
65.03948	1.9
67.05510	15.2
69.03419	3.8
69.07055	3.0
69.60516	4.7
69.60927	2.4
71.05009	5.5
71.05352	1.2
72.08137	1.7
74.27161	1.0
79.05498	53.0
81.03426	5.9
81.07062	11.2
83.04985	3.1
83.08633	1.3
84.08141	5.7
85.02912	3.2
91.05486	55.2
93.07047	56.2
95.01327	2.8
95.04953	6.3
95.08621	3.9
97.06536	1.6
97.10147	1.4
99.04457	2.3
103.05502	2.2
105.07021	7.3
107.04958	44.9
107.08601	39.4
109.06525	2.1
111.04437	3.3
111.08102	1.9
113.06035	1.0
115.05461	7.2
117.07027	48.0
119.04962	2.9
119.08598	6.1
121.06496	11.9
121.10123	1.5
125.09643	16.6
129.06989	1.3
131.04938	4.3
131.08574	3.3
132.00427	1.0
133.06485	3.6
133.10144	2.2
135.08066	100.0
136.84026	0.9
143.08585	1.9
145.06490	21.3
145.10126	3.0
153.09106	27.7
155.06000	1.7
156.04216	1.8
159.11790	1.1
161.13263	2.4
163.07555	61.2
171.11697	1.0
173.09663	1.4
173.13252	1.1
181.06987	1.7
181.08585	15.6
185.31175	1.0
199.09724	2.1
213.16191	1.1
241.08810	1.3
255.12338	5.0
255.17325	1.8
255.21048	1.5
273.13367	35.5
273.18533	7.2
273.22067	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	273.0761
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
51.02390	0.2
53.03936	0.3
55.01872	0.5
55.05510	0.6
56.10077	0.2
59.04136	0.2
59.04964	0.2
65.03947	0.5
67.01539	0.3
67.01871	5.3
67.05505	0.8
68.99792	2.5
69.03437	1.8
69.07084	1.1
69.24300	2.2
70.06598	0.6
71.05003	0.4
72.08163	0.7
79.05502	1.2
81.03416	0.7
81.07085	1.3
83.01342	0.7
83.04964	0.4
83.08578	0.3
84.08145	0.6
85.31548	0.2
86.09708	0.6
91.05489	6.6
93.07031	1.2
95.04990	2.1
95.08627	0.9
97.02905	1.1
97.06549	1.3
103.05457	0.3
105.07013	1.1
107.04979	1.9
107.08598	0.8
109.06567	0.3
109.10175	0.7
111.00802	0.7
111.08093	0.3
112.08846	0.3
117.07012	0.6
119.04948	14.8
119.08590	0.7
121.02914	0.4
121.06535	1.6
121.10155	0.8
123.04449	3.0
123.11745	0.3
125.02363	0.6
127.03931	0.4
127.38531	0.2
129.01860	0.3
129.06976	0.4
129.10201	0.2
131.04942	0.4
131.08591	0.7
133.02873	0.5
133.10139	0.8
135.08040	0.4
135.11713	0.4
137.09604	0.3
143.08557	0.4
145.06499	0.3
145.10106	0.9
147.04424	34.5
147.11700	0.3
148.04784	0.3
149.05978	0.6
149.09612	0.3
151.03940	0.6
151.07512	0.5
153.01840	100.0
153.06989	0.8
154.02220	0.7
157.10143	0.5
159.11719	0.3
161.06062	0.3
162.03137	0.9
163.03885	0.3
163.07568	0.3
171.02905	10.3
171.11787	0.3
173.02365	3.7
173.13297	0.4
177.05519	1.3
179.03424	1.0
181.06544	1.6
182.15605	0.3
184.42998	0.2
185.13126	0.3
189.05498	0.8
195.08089	0.5
213.09172	0.9
215.06979	2.4
231.06595	0.5
241.08585	1.3
255.06599	0.8
255.17505	0.4
273.07602	59.7
273.11032	2.3
273.18652	1.1
273.25818	0.3
274.07907	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	0.8
55.05483	2.0
56.05019	1.6
56.96544	1.3
57.03416	1.2
59.43213	0.6
67.05466	2.7
67.32467	0.7
68.04990	1.4
69.03435	4.5
70.06597	10.1
71.14771	1.2
72.08116	2.7
79.05440	1.8
81.04492	1.0
81.07069	5.8
82.05280	1.1
82.06541	1.5
83.06110	7.2
84.04448	1.7
84.08154	2.9
85.02898	3.5
86.09648	2.2
91.05468	3.1
93.04557	4.2
93.07039	7.9
94.06513	2.3
95.04932	0.7
95.06091	10.9
95.08506	0.8
98.06012	0.9
98.97484	0.6
99.04467	5.6
107.04967	7.3
107.06042	0.8
110.07170	57.1
110.09682	12.0
111.05543	1.0
112.07513	2.0
112.08651	2.4
113.02282	2.7
116.07094	3.0
118.17155	0.6
119.01858	0.7
122.08881	0.6
122.09657	8.0
122.98425	0.6
123.04352	1.0
125.07050	1.2
127.03929	13.2
127.08628	1.4
128.10669	0.7
129.10158	0.8
130.04930	1.3
140.10710	74.8
141.10980	0.8
142.05202	1.0
145.04958	14.7
156.07695	6.8
158.06560	1.1
159.07684	1.1
160.06392	2.9
161.02893	0.9
161.05901	1.0
163.12323	4.7
172.06375	0.8
173.09039	0.9
174.04295	0.7
175.11783	0.7
178.07375	1.1
186.04337	1.2
190.07375	1.6
190.13258	1.7
195.07379	0.8
208.14496	7.3
210.15987	0.9
211.14240	0.7
212.07542	1.9
222.11272	0.7
226.07379	0.8
226.10823	3.0
226.15517	13.2
228.17130	1.0
230.08659	0.7
254.13704	15.2
255.10201	2.3
272.07758	2.2
272.14929	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1283
Annotation	(R,S)-Norcoclaurine
Peak:m/z	Relative Intensity
55.01878	0.8
56.05026	0.7
67.04243	0.8
68.05035	9.2
69.07098	0.5
70.06596	5.8
70.28214	0.4
71.27800	0.8
71.94249	0.4
72.08151	3.6
77.03933	1.2
79.05501	1.8
83.06132	1.1
84.04509	1.3
84.08154	3.5
86.09708	2.4
86.71678	0.4
91.05478	1.9
93.07068	0.7
95.06098	88.8
95.25132	0.4
103.05492	0.7
105.03395	1.8
105.07040	1.3
107.04962	100.0
108.05286	0.8
110.06080	0.5
110.07168	0.9
112.08733	4.1
115.05466	6.3
117.07023	1.3
119.04966	1.0
121.06512	1.4
123.04441	9.5
126.59630	0.5
129.10245	1.0
131.04930	1.4
132.04424	0.7
133.02859	4.0
133.06491	1.8
135.04445	0.7
137.05989	0.9
138.06613	2.4
143.04935	10.0
145.06499	6.7
147.04425	2.1
149.05939	1.1
160.03920	0.8
161.02396	1.1
161.05986	18.2
162.06841	0.6
164.07053	1.5
175.11888	0.8
178.05003	22.3
181.06464	0.7
181.10106	0.8
190.05003	0.8
194.07343	1.6
209.09628	3.3
219.07950	1.0
226.06265	1.0
237.09155	3.4
240.07813	0.9
244.10815	1.4
247.50677	0.5
255.10176	32.1
256.10416	0.8
272.10223	26.9
272.12820	41.0
272.16559	1.2
273.10532	0.7
273.13284	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1284
Annotation	(R,S)-Norcoclaurine
Peak:m/z	Relative Intensity
51.02395	0.4
53.03951	0.5
53.44083	0.4
59.52400	0.3
70.06597	1.1
72.08170	0.5
77.03922	0.4
79.05502	1.3
84.08163	0.4
86.09727	0.3
91.05480	1.4
95.04958	0.9
95.06091	6.2
103.05465	0.3
105.03412	0.7
105.07035	0.6
107.04964	100.0
108.05281	0.6
115.05460	5.5
117.07032	0.8
121.06550	1.6
121.75324	0.3
123.04442	6.9
131.04921	1.4
133.06525	1.3
136.07603	0.3
137.05954	0.7
143.04936	10.5
145.06496	7.2
147.04404	0.3
149.06018	1.2
155.06052	0.6
161.05992	16.9
164.07086	1.7
166.07808	0.4
178.05016	1.1
181.06487	0.5
191.08586	1.1
194.07317	1.8
195.07950	0.4
209.09647	3.5
219.08119	0.5
222.06752	0.4
226.06342	0.5
237.09142	3.6
240.07782	1.2
255.10188	28.0
256.10461	0.5
272.10449	2.0
272.12839	39.9
273.13007	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.05514	1.6
57.03421	0.3
68.05033	4.1
70.06602	2.4
71.01900	0.6
71.04993	0.3
72.08160	3.3
77.03929	5.4
79.05471	0.3
81.07054	0.3
83.06110	1.2
84.04470	0.4
84.08154	1.4
86.09713	2.0
91.05499	0.4
95.06095	100.0
96.06427	0.5
98.06063	0.9
105.03398	10.7
105.07037	0.4
107.04957	3.9
110.07149	0.7
112.08737	18.1
112.09990	1.0
113.10793	0.6
119.04981	0.4
120.75141	0.3
123.04459	1.6
126.06586	0.3
129.10281	0.5
133.02856	14.6
137.05963	0.6
138.06621	1.1
147.04430	1.0
150.05504	1.1
161.05988	0.9
169.13371	0.3
175.11826	0.3
177.05489	0.5
178.04982	1.4
191.05669	0.3
202.09837	0.7
214.09558	0.4
215.12048	0.3
226.09753	4.5
244.10829	51.4
245.11163	0.5
246.11456	0.3
254.09180	0.4
255.10239	1.7
263.63080	0.7
272.10306	14.7
272.12799	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02407	0.5
53.03962	0.5
55.05514	0.6
62.23655	0.4
67.05511	0.5
67.26681	0.4
67.99944	0.4
68.05039	9.8
69.07090	0.8
70.06599	4.2
70.42286	0.8
70.42623	0.5
72.08180	2.3
77.03936	1.2
79.05495	1.2
82.06562	0.5
83.06116	1.1
84.04507	0.9
84.08150	3.2
86.09711	1.7
86.19002	0.4
91.05504	1.8
95.06099	100.0
96.06451	0.6
103.05496	0.6
105.03407	2.3
105.07047	0.8
107.04964	77.0
108.05267	0.6
110.07158	0.7
112.08738	4.0
115.05473	3.6
115.08738	0.5
116.07159	0.5
117.07026	1.0
118.31992	0.5
119.04960	0.6
121.06541	0.8
123.04440	6.7
126.06649	0.5
129.10229	0.9
131.04942	0.9
133.02867	3.7
133.06509	0.9
135.04420	1.0
137.05984	0.8
138.06624	3.4
143.04936	7.2
145.06497	4.7
147.04361	0.8
149.05968	0.7
150.05566	0.5
160.03972	1.3
161.02377	0.8
161.05994	14.0
163.03931	0.6
164.07069	0.6
175.11909	0.8
178.05013	24.7
181.06541	0.8
190.04980	1.3
191.08568	1.1
194.07321	1.3
208.14551	0.5
209.09634	1.9
226.06340	0.4
226.09906	0.4
237.09206	2.1
240.07860	0.8
244.10820	1.9
254.09164	0.5
255.10191	21.9
272.10287	33.9
272.12894	26.4
272.16925	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.3
55.05523	2.7
56.05040	2.2
56.96566	4.6
57.03442	2.3
57.07071	0.5
58.06594	1.1
58.99865	2.2
59.05001	0.9
59.99948	0.7
60.04526	0.5
60.05651	1.4
61.01162	0.8
61.02933	3.1
65.03951	1.9
67.05515	0.8
67.99873	0.8
68.05022	1.8
68.98287	0.6
69.03436	2.8
69.07074	4.0
69.63455	0.8
69.63865	2.2
70.06597	27.0
70.99855	0.8
71.05000	1.7
71.06941	1.5
72.04518	0.7
72.08162	8.4
72.96085	0.6
73.02935	1.1
74.09725	1.5
77.00917	2.3
79.05492	3.6
80.05032	1.6
81.03457	1.0
81.04547	19.4
81.07061	14.0
82.01463	0.6
82.05341	2.9
83.06113	17.3
84.03027	0.8
84.04517	2.3
84.08148	6.6
84.96047	1.0
85.02914	5.4
86.06071	0.8
86.09711	61.1
86.99365	0.7
87.04446	0.4
91.02468	1.5
91.05835	0.6
92.05012	18.2
92.57484	0.5
93.04539	7.4
93.05796	1.6
94.06574	3.8
94.99845	0.5
95.06097	27.8
97.02899	1.9
97.06561	2.8
97.07601	0.6
98.06059	2.3
98.97602	1.4
99.04459	0.9
99.05614	0.4
99.08138	0.6
100.02510	0.7
101.00891	3.2
102.01002	0.6
102.04044	1.0
102.05528	0.6
103.00624	2.1
103.02434	0.9
107.04975	6.2
107.06081	1.8
109.02914	0.6
110.06051	40.5
110.07172	100.0
111.05568	2.2
112.02451	1.6
112.03960	0.5
112.07597	0.7
112.08746	5.8
112.11244	0.6
113.00879	6.3
113.02351	0.4
113.96413	0.6
114.01000	2.0
114.04017	3.3
114.05622	0.6
114.09191	0.5
115.00640	1.0
115.02495	2.4
115.03992	1.0
115.08705	0.7
116.02611	0.7
116.03448	0.5
116.07088	3.3
116.98650	1.1
117.02183	1.0
118.03510	1.0
119.01943	6.0
119.05986	0.7
120.01995	1.3
121.01666	3.0
121.07574	0.5
122.00885	0.6
123.05499	0.5
124.08726	22.7
125.07126	8.7
126.07658	0.7
127.02424	0.6
127.03888	2.3
128.02666	0.7
128.05624	1.0
128.98647	1.5
129.10226	1.8
130.03496	4.3
130.05019	0.6
131.01918	27.9
132.02026	7.4
132.05072	4.9
133.01649	3.0
133.03470	5.2
133.59941	0.5
134.03578	2.3
135.03233	1.4
136.06213	0.6
137.02948	0.7
137.10760	1.3
138.05527	1.9
138.06564	0.8
139.02553	0.5
139.05919	1.1
140.01918	4.1
140.05836	0.8
140.07030	0.8
140.10718	3.4
141.00401	0.6
142.03499	1.7
142.07166	5.2
142.09756	3.9
143.01950	3.4
144.02055	1.8
144.03249	0.7
144.05017	0.7
144.06592	0.8
144.08714	4.4
145.01707	0.7
145.03485	5.0
145.04979	1.2
145.06534	0.7
146.03598	5.6
146.06654	2.9
146.10292	0.5
146.99605	0.8
147.01448	1.1
147.03194	0.8
149.01178	0.8
149.02972	6.6
150.03128	2.4
150.06163	1.0
151.04517	1.3
151.08701	1.1
151.12297	0.6
152.07063	1.1
154.01782	1.1
154.03416	0.8
154.07161	2.1
155.01904	0.9
155.05536	1.1
156.01987	0.6
156.03165	0.6
156.05069	3.4
156.07684	12.3
156.08879	1.0
156.98111	0.8
157.03510	0.7
158.02997	27.9
158.06668	1.6
158.99741	0.8
159.01433	2.2
159.03171	0.6
159.06674	0.6
159.58096	0.5
160.01488	1.1
160.04602	0.9
160.06372	1.1
160.08218	5.8
161.01599	0.6
161.02953	4.4
161.05959	1.1
162.03152	1.4
162.09729	3.1
163.02698	1.1
163.04486	1.5
163.12320	18.2
164.04680	2.9
164.07771	0.5
164.11334	1.1
166.03470	1.0
169.03438	0.5
170.99651	0.5
171.01381	1.1
171.05093	0.6
172.02829	1.2
172.04649	1.4
172.06551	0.7
172.08206	15.6
173.02994	1.2
173.06624	4.3
174.04636	0.9
174.06163	2.8
174.08189	0.8
174.09714	3.4
174.99161	1.7
175.00876	0.8
175.02896	0.7
175.04507	1.5
175.11903	2.5
176.04060	22.7
176.07576	3.3
177.00880	2.8
177.02467	6.1
177.04048	0.9
177.07903	1.4
178.01134	0.7
178.02567	2.8
178.04103	0.4
178.06093	0.5
178.07423	2.4
179.02231	0.5
179.11827	1.1
180.08713	2.6
181.13379	1.1
182.03516	0.5
182.06667	1.5
183.05092	0.8
184.04646	2.1
185.02917	1.3
186.06183	1.4
186.09680	0.6
187.04590	0.9
188.05949	0.8
189.00870	0.9
189.02451	1.8
190.02452	0.9
190.04144	2.5
190.05655	0.9
190.07448	1.4
190.09245	11.8
190.13400	3.7
191.02264	0.6
191.04018	1.3
191.07639	2.8
192.07243	0.9
193.00270	1.6
193.13364	1.5
195.03497	1.2
196.08240	0.5
197.09207	0.7
198.02669	0.8
198.09761	21.8
198.13676	1.7
199.09937	0.5
200.04581	1.2
200.07655	1.1
200.09415	0.7
200.11389	1.4
201.00807	0.8
201.02527	1.0
201.12350	2.1
202.01213	0.6
202.06122	0.6
203.02341	1.0
203.04048	2.0
204.04247	1.7
204.07213	1.1
204.10826	5.0
208.01413	0.5
208.04921	1.1
208.08403	0.7
208.10321	13.9
208.14473	13.4
209.06618	1.2
209.12920	0.8
210.06165	3.1
210.15958	1.7
211.10806	1.9
211.14392	1.9
212.02361	0.5
212.04057	3.0
213.02409	1.3
213.12421	0.8
213.16016	0.7
216.07298	0.9
216.10846	6.2
217.01991	0.8
218.08734	1.1
218.12434	0.6
219.01888	2.5
219.03780	0.7
222.05328	0.7
222.11891	9.5
222.16023	3.9
223.14462	1.8
226.02574	3.3
226.05609	1.3
226.09283	24.1
226.15521	23.0
226.17844	1.0
227.07632	1.5
227.09570	0.7
227.13893	1.6
228.04225	3.5
228.07101	3.1
228.10741	1.1
228.17056	1.1
230.01564	0.5
230.05206	1.9
231.03470	1.9
236.07346	1.1
236.07832	0.9
240.03514	0.8
240.17084	5.6
242.07349	0.7
244.03719	2.2
244.10329	43.1
245.05122	0.9
245.10658	1.0
246.05296	3.8
246.11888	2.7
249.04431	1.6
254.02074	2.9
254.05125	0.9
254.08759	17.8
254.15041	15.9
254.18623	1.5
255.10190	1.8
255.14577	0.9
255.17090	0.8
258.04565	1.3
267.11862	0.7
272.03241	9.7
272.09784	91.0
272.12308	4.4
272.16028	78.1
272.19644	34.4
273.04694	1.5
273.09967	2.0
273.16263	0.7
290.03918	3.8
290.10934	41.2
290.15976	1.0
291.10983	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.05509	6.0
57.07063	1.4
67.05508	13.7
69.07086	11.0
77.15961	1.0
79.05481	6.7
81.06594	1.9
81.07064	38.9
81.19524	1.0
83.08637	5.9
83.09048	1.1
91.05477	6.5
93.07049	16.5
95.08617	29.4
97.10188	2.6
98.21516	2.6
101.57684	0.9
103.23154	0.9
105.07042	21.0
107.08609	27.2
109.10173	27.9
113.66221	0.9
117.07007	3.4
117.07773	0.9
119.08591	24.7
121.10165	19.1
123.11724	11.3
125.16048	0.9
131.08562	6.6
133.10153	13.9
135.11713	11.5
137.13249	2.1
145.10146	14.6
147.11703	15.2
149.13274	14.6
157.10242	0.9
159.11711	15.8
161.13274	20.7
163.14848	13.1
173.13277	10.0
175.14841	16.0
177.16403	5.0
187.14844	9.0
189.16324	5.7
191.18005	1.1
201.16403	14.0
213.16470	2.3
215.17982	20.4
229.01277	1.0
229.19569	3.9
243.21121	1.7
271.24240	100.0
272.24716	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	271.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25383	0.7
52.97200	0.7
53.03955	0.7
55.05506	5.1
57.07063	2.2
58.24583	0.9
67.05173	1.1
67.05508	11.2
67.71476	0.8
69.07069	9.0
70.75987	1.5
78.48901	0.7
79.05502	5.5
81.06594	1.5
81.07062	27.1
83.08618	4.2
91.05486	4.6
93.07054	13.5
95.08612	26.8
97.10172	1.9
97.45634	0.8
105.07034	15.1
107.08601	21.5
109.10162	24.2
117.07024	2.3
119.08590	17.6
121.09329	1.4
121.10149	16.3
123.11726	10.7
129.50723	0.7
131.08582	6.2
133.10139	9.9
135.11697	7.3
137.13287	2.0
141.34793	1.0
145.10121	10.9
147.11688	12.1
149.13271	13.3
155.17859	0.9
157.10120	1.0
159.11720	14.0
161.13254	18.8
163.14832	9.8
173.13280	10.2
175.14842	11.9
177.16434	2.9
187.14844	9.3
189.16408	6.3
201.16385	14.0
203.17982	0.9
213.16418	0.9
215.17970	17.3
229.19528	3.7
243.21065	2.1
271.24219	100.0
272.24579	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	271.2421
Annotation	Axerophthene
Peak:m/z	Relative Intensity
51.31904	0.9
55.05519	5.9
57.07064	2.5
62.62957	0.8
65.66689	0.8
66.36059	0.8
67.05505	14.4
69.07074	9.8
70.75804	1.6
70.76140	1.6
73.81108	0.8
78.58673	0.7
79.05494	6.9
80.10424	0.8
80.30358	1.0
81.07059	32.0
83.08619	6.2
91.05454	5.5
93.07048	15.1
95.08617	28.6
97.10185	2.3
100.89359	0.9
104.17402	0.8
105.07034	18.7
107.08600	25.4
109.10165	26.0
111.11675	0.9
113.32382	0.8
117.07002	2.1
119.08579	22.3
121.10150	17.9
123.11713	10.7
131.08611	4.8
133.10136	12.2
135.11722	8.7
137.13258	3.1
145.10118	11.6
147.11691	16.8
149.13269	14.4
157.10144	1.5
158.10803	0.8
159.11711	14.6
161.13255	21.8
163.14830	11.5
173.13290	9.4
175.14838	15.3
177.16411	4.6
187.14819	7.0
189.16336	5.7
201.16406	13.9
203.17990	1.2
215.17949	17.2
229.19606	2.8
243.21167	1.9
271.24222	100.0
272.24612	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	271.2419
Annotation	Axerophthene
Peak:m/z	Relative Intensity
50.05023	1.3
53.03941	1.5
55.05502	5.4
67.05511	16.5
69.07073	14.7
70.03902	4.0
79.05485	8.5
81.06597	2.0
81.07061	33.4
83.08612	4.7
91.05470	5.8
93.07049	20.1
95.08607	33.2
97.10184	2.9
105.07035	23.4
107.08597	27.4
109.10155	30.2
114.62003	1.3
117.07027	2.4
119.07801	2.4
119.08583	27.4
121.10142	23.4
123.11716	13.4
131.08560	8.6
133.10150	12.9
135.11694	12.1
137.13281	2.1
145.10147	13.5
147.11691	17.3
149.13275	16.8
157.10225	1.5
159.11694	18.9
161.13251	25.2
163.14816	16.2
173.13254	12.4
175.14824	15.8
177.16393	5.9
187.14804	10.1
189.16391	6.3
201.16412	16.0
203.17995	2.3
215.17955	22.6
229.19463	1.7
243.21053	1.8
271.24219	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.9
57.07080	2.1
67.05189	1.0
67.05515	15.1
69.07070	12.8
69.62183	6.1
71.08594	1.2
74.05965	1.1
79.05506	8.3
81.06591	2.1
81.07061	34.9
83.08614	4.4
91.05487	8.7
93.07050	19.1
95.08617	31.5
97.10165	3.0
102.89045	1.0
105.07047	21.1
107.08607	24.5
109.10164	26.8
117.07021	2.5
119.08587	25.7
121.10152	19.9
123.11737	10.8
125.47016	1.0
131.08607	7.6
133.10144	12.6
135.11708	12.5
137.13272	1.6
144.09410	1.5
145.10136	16.7
147.11694	15.2
149.13261	15.6
159.11708	18.2
161.13269	20.4
163.14824	14.2
172.12508	1.2
173.13290	9.8
175.14865	14.5
177.16496	4.8
185.13275	1.2
187.14850	7.0
189.16383	5.6
191.17950	1.0
192.95633	1.1
201.16393	15.7
203.17894	1.8
215.17981	19.1
229.19545	4.6
249.54491	1.2
271.24228	100.0
272.24512	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2422
Annotation	Axerophthene
Peak:m/z	Relative Intensity
54.28603	0.9
55.05513	7.9
57.07061	3.4
63.09021	1.0
67.05507	12.3
69.07072	10.3
71.08625	2.3
79.05484	6.7
79.13662	1.1
81.07065	30.5
83.08668	5.0
83.09055	1.1
91.05486	6.5
93.07048	17.7
95.08607	30.6
97.10166	2.7
105.07034	19.1
107.02173	1.0
107.08599	28.1
109.09486	1.7
109.10165	25.3
117.07020	2.3
119.08583	20.8
121.09318	1.8
121.10150	18.3
122.15923	1.0
123.11716	10.8
130.07796	1.1
131.08577	7.5
133.10127	13.3
135.11688	9.1
137.13289	1.7
139.88774	1.1
145.10124	11.9
147.11682	17.2
149.13286	13.0
154.45642	1.0
157.10146	1.4
159.11702	14.9
161.13272	20.5
163.14827	14.0
163.87720	0.9
173.13252	8.9
175.14841	15.2
177.16444	4.1
187.14789	7.2
189.16382	5.8
201.16394	13.7
204.30511	1.1
215.17958	17.7
216.18555	1.1
229.19460	2.9
271.24216	100.0
272.24655	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.242
Annotation	Axerophthene
Peak:m/z	Relative Intensity
53.90178	1.1
55.05515	5.6
57.01311	0.8
67.04688	1.0
67.05513	11.6
69.07071	9.4
69.56744	7.0
69.57080	1.6
79.05492	6.7
81.06594	1.9
81.07062	31.0
83.08604	4.0
91.05499	6.4
93.07050	17.6
95.08617	28.5
97.10172	2.5
105.07036	18.5
107.08604	23.3
109.10162	28.9
117.07005	1.5
119.08588	22.3
121.09338	1.6
121.10154	20.3
123.11702	11.8
131.08594	5.4
133.10136	11.4
135.11697	11.6
137.13229	2.1
145.09032	1.4
145.10123	11.4
147.11705	13.9
149.13263	16.9
153.53386	1.0
155.08504	1.1
159.11716	15.2
161.13266	21.5
163.14836	14.4
171.39188	0.9
173.13258	9.7
175.14828	17.2
177.16388	5.3
187.14832	8.0
189.16388	6.1
191.18015	1.1
201.16406	18.3
203.18134	1.7
215.17953	18.5
229.19568	3.1
243.21011	1.7
265.98639	1.0
271.24222	100.0
272.24548	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	271.2422
Annotation	Axerophthene
Peak:m/z	Relative Intensity
50.27643	0.9
55.05519	6.6
57.07073	4.7
58.02956	2.4
59.34616	0.9
67.05511	13.6
69.06741	1.1
69.07079	11.7
70.90179	1.5
71.08624	1.4
79.05489	8.0
79.44131	0.8
81.07061	34.3
81.32667	0.9
83.08632	5.6
88.07635	1.5
91.05472	9.2
92.70541	0.9
93.07051	19.8
95.04985	1.0
95.08614	31.2
97.10155	2.7
102.09178	1.8
103.09512	1.0
105.07040	22.5
105.07703	0.8
107.08597	23.6
109.06520	1.1
109.10165	25.9
111.11710	1.1
116.10751	1.0
117.07023	2.9
118.65005	0.9
119.08585	25.3
121.10146	23.1
123.11700	18.1
130.07790	1.0
131.08578	12.2
133.10147	13.7
135.11703	12.1
137.13234	1.5
143.08575	1.1
145.10138	13.0
147.11687	16.0
149.09644	3.2
149.13263	15.1
157.10126	2.7
159.11719	14.8
161.13281	18.8
163.14851	12.9
169.10046	1.4
171.11740	2.1
173.13284	11.8
175.14839	13.6
177.16386	5.7
187.14845	11.5
189.16422	6.1
197.13351	1.0
199.14796	1.5
201.16394	16.1
203.17987	1.4
213.16512	1.3
215.14679	1.1
215.17976	23.0
229.19534	3.4
243.21196	2.1
271.20929	3.2
271.24228	100.0
271.28284	44.7
272.24371	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	271.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.3
57.07072	1.5
59.50148	1.3
64.94595	1.1
67.05508	13.3
67.16180	1.2
69.07069	12.5
70.75682	2.8
79.05501	7.3
81.06607	1.7
81.07060	29.9
83.08619	3.5
91.05467	7.0
93.07044	17.6
95.08609	30.5
97.10159	2.9
102.71534	1.2
105.07032	24.5
106.19183	1.4
107.08598	25.9
109.10157	27.4
117.07002	2.6
119.08585	24.3
121.10154	20.4
123.11699	11.7
131.08578	6.4
133.10141	13.0
135.11711	11.7
137.13240	1.4
137.82921	1.3
145.10152	12.6
147.11685	14.3
149.13272	15.9
159.11719	19.4
161.13252	22.7
161.14465	2.1
163.14825	13.1
173.13274	11.0
175.14821	15.5
177.16359	5.6
187.14839	12.1
189.16399	5.2
201.16417	17.7
215.17960	16.2
229.19467	3.4
243.21098	2.0
271.24210	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2421
Annotation	Axerophthene
Peak:m/z	Relative Intensity
53.04446	1.0
55.05511	5.1
57.07061	2.1
67.05507	13.4
69.07070	12.6
70.22073	2.7
70.22475	2.0
71.08611	1.0
79.05487	5.5
81.06595	1.8
81.07060	31.9
83.08624	6.1
83.13892	1.0
84.11724	0.9
84.77736	1.0
87.39533	1.0
91.05501	5.7
93.07053	15.6
95.08614	30.5
97.10139	2.5
99.83655	1.0
105.06407	1.5
105.07041	20.3
107.08611	25.6
109.09485	1.6
109.10170	27.6
109.99710	0.9
117.07025	1.1
119.07825	1.6
119.08599	21.9
121.10152	21.1
123.11691	11.4
131.08569	6.1
133.10147	14.0
135.11728	10.2
137.13277	2.1
144.09293	1.1
145.10132	11.8
147.11703	14.7
149.13277	16.2
159.11719	16.2
161.12003	1.7
161.13286	21.5
163.14818	14.5
173.13300	9.7
175.14841	14.3
177.16371	4.1
187.14832	8.0
189.16429	6.7
201.16403	14.6
203.18031	2.3
215.17966	21.7
229.19505	3.8
267.75427	1.0
271.24231	100.0
272.24536	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2421
Annotation	Axerophthene
Peak:m/z	Relative Intensity
53.03942	1.6
55.05507	7.6
61.28929	1.4
67.05507	19.0
69.07069	11.9
71.39219	1.6
79.05494	9.4
81.06594	1.9
81.07060	35.2
83.08611	6.0
91.05480	8.2
93.07050	18.0
95.08612	34.5
97.10188	1.8
97.67416	1.2
105.07045	25.1
107.08604	26.4
109.10152	27.5
117.07050	2.9
119.08590	26.1
121.10139	18.4
123.11717	13.1
123.31956	1.3
131.08583	8.9
133.10130	14.5
135.11671	9.9
137.13239	1.4
144.09378	1.5
145.10129	16.0
147.11685	16.1
149.13272	16.7
159.11697	19.1
161.13284	23.0
162.45418	1.3
163.14850	15.0
173.13269	12.7
175.14828	15.6
176.48555	1.2
177.16362	3.7
187.14861	8.9
189.16393	6.9
199.14755	1.3
201.16373	16.6
203.17912	2.2
215.17975	21.6
229.19545	4.6
243.21129	2.3
247.53485	1.3
271.24231	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2424
Annotation	Axerophthene
Peak:m/z	Relative Intensity
51.02360	1.2
53.03941	1.4
55.05278	1.1
55.05511	7.3
57.07057	2.2
67.05514	11.7
69.07081	11.9
70.74847	1.3
70.75175	2.3
76.69514	1.0
79.05495	6.7
81.06600	1.7
81.07066	28.8
83.08601	4.2
86.97755	1.0
89.70204	1.0
91.05493	5.7
93.07054	16.5
95.08616	26.7
97.10172	2.7
97.95116	0.9
105.07044	18.2
107.08604	19.7
109.02857	2.4
109.10162	26.2
111.11719	1.7
117.07018	3.6
119.08587	20.6
121.10155	20.4
123.11711	10.7
131.08572	8.5
133.10155	13.3
135.11691	11.0
137.13292	1.6
143.08684	1.5
144.09256	1.4
145.10147	12.9
147.11716	12.9
149.13293	14.2
159.11711	14.6
161.09631	3.6
161.13280	20.0
163.14856	10.5
163.83928	1.2
173.05907	1.3
173.13255	7.8
175.14838	12.7
177.16406	4.5
187.07646	1.4
187.14818	9.3
189.16367	7.5
201.16422	11.0
202.17084	1.3
213.16197	1.3
215.17961	17.5
229.19530	4.2
241.09700	1.2
243.21165	2.1
271.13754	1.5
271.24225	100.0
272.24615	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	271.242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82544	1.3
53.03938	2.3
55.05516	7.6
57.07066	1.9
67.05508	19.0
69.06744	1.3
69.07077	13.2
79.05489	6.9
81.06599	1.9
81.07063	37.0
83.08604	4.2
91.05499	8.7
93.07050	23.7
95.08615	31.3
97.10183	1.3
105.07038	24.1
107.08596	29.4
109.10169	27.6
109.12688	1.3
111.11752	1.5
117.06992	3.5
119.08595	26.7
121.10151	21.6
123.11715	12.5
131.08604	7.5
133.10130	12.0
135.11702	11.7
137.13324	2.5
145.10136	12.7
147.11697	16.1
149.13257	18.2
159.11710	19.5
161.13281	21.9
163.14833	14.4
173.13249	13.6
175.00999	1.3
175.14857	15.8
177.16412	3.8
187.14864	8.4
189.16415	7.1
201.16391	16.3
203.17993	2.0
215.17964	21.4
229.19473	3.1
242.54860	1.3
243.21164	2.3
271.24225	100.0
272.24716	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	271.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
55.01878	9.1
55.05509	13.5
56.96566	2.5
57.03198	1.8
57.03442	26.3
57.07075	4.6
57.90177	1.4
65.03944	2.3
65.56084	1.1
67.05508	71.6
69.03419	5.6
69.07069	18.0
70.06590	5.7
71.04993	9.9
71.08631	1.9
71.50462	1.7
72.08148	4.7
79.05496	22.0
81.03417	3.8
81.07062	69.6
83.04979	12.2
83.08623	5.7
84.08141	3.0
85.02876	1.5
85.06552	10.3
86.09698	1.9
91.05486	51.0
92.05782	1.4
93.07047	29.7
95.05003	7.9
95.06088	1.6
95.08609	15.2
97.02895	1.4
97.06561	7.5
98.09661	1.4
98.97602	1.5
99.04450	7.0
99.08109	1.5
100.11238	3.8
101.06062	1.4
101.11523	1.2
105.07036	52.7
107.04945	1.6
107.08610	42.9
107.38270	1.4
107.93410	1.6
108.91774	1.2
109.02859	1.2
109.06523	9.3
109.10162	83.7
113.06010	3.0
115.05505	2.6
117.07040	2.9
119.04916	3.2
119.08590	10.5
121.06530	3.1
121.10146	5.6
123.08095	3.0
123.11725	17.5
125.09584	1.7
127.03915	1.8
127.07560	4.6
129.06989	3.0
131.08525	6.4
133.10139	100.0
135.08054	2.7
135.11670	2.6
137.05965	1.4
137.09567	1.5
141.06987	2.3
143.08574	6.6
145.10103	6.3
147.08002	2.0
147.11679	4.5
149.13275	2.0
151.11189	64.3
153.07011	2.2
153.12764	1.3
155.08553	5.0
157.06514	1.4
157.10126	5.6
159.08061	4.1
159.11722	5.3
161.09628	4.3
161.13280	4.2
165.06979	6.5
168.05666	1.5
169.08768	1.3
169.10104	3.7
169.12282	11.5
171.11743	4.5
171.20250	1.3
173.09613	2.0
173.13283	2.6
175.11118	2.0
175.14833	2.1
179.10677	2.1
181.06416	1.8
183.08083	4.1
183.11676	4.2
185.13290	2.5
187.14803	2.4
189.12755	2.6
195.11682	1.3
197.11618	1.5
197.13277	3.6
198.12906	1.7
201.16594	1.6
211.07610	4.3
211.14867	1.7
213.12669	1.5
213.16386	4.7
215.12726	7.1
215.17854	1.3
221.05962	1.7
226.12231	3.0
229.15775	1.5
243.15094	1.8
253.11798	1.8
253.14349	5.7
253.16542	1.9
253.19624	3.8
256.12143	1.6
271.06134	11.4
271.09375	11.9
271.15152	35.1
271.20624	11.0
271.24072	7.9
289.13254	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	271.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.0
57.07065	1.8
62.12265	0.9
67.05507	13.3
69.07075	12.0
70.37846	1.9
79.05492	6.6
81.06597	1.7
81.07061	32.8
83.08609	4.0
89.91848	0.8
91.05472	6.3
93.07044	18.3
95.04995	1.1
95.08612	30.6
96.47466	0.9
96.56029	0.9
97.10163	2.2
105.07037	18.9
107.08607	22.8
109.10167	27.1
117.07041	1.6
119.08594	25.0
121.09341	1.3
121.10155	19.1
123.11707	11.6
131.08578	7.1
133.10135	9.5
135.11713	10.7
143.08556	1.2
144.09470	1.1
145.10129	12.4
147.11700	13.7
149.13275	14.5
152.32945	0.8
157.10135	1.1
159.10454	1.7
159.11697	17.5
161.13263	18.0
163.14847	12.1
171.11621	1.5
173.13277	10.2
175.14832	13.6
177.16383	5.1
187.14832	9.6
189.16388	5.5
199.14908	1.1
201.16429	13.3
202.80252	0.9
215.17963	19.2
229.19490	4.6
243.21169	1.8
271.24222	100.0
272.24600	2.0
290.86227	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	5.2
53.03942	1.1
55.01868	6.1
55.05511	6.6
56.05020	0.8
57.03189	1.1
57.03442	12.2
57.07065	0.8
58.06586	1.0
59.05001	1.9
59.53751	0.7
60.04537	0.8
67.05506	7.2
69.03423	2.2
69.07070	2.7
69.17198	3.6
69.17625	3.6
70.06596	19.5
71.01358	1.8
71.04987	1.5
71.06922	1.8
72.08155	16.6
73.02908	2.5
79.05499	47.7
81.03424	2.1
81.04543	1.2
81.07060	8.6
83.04996	1.7
83.43076	0.7
84.04508	2.0
84.08155	10.4
85.02910	0.9
85.06603	0.8
86.09710	6.6
87.10050	0.9
89.00692	0.7
91.05482	15.2
93.07060	5.0
95.04986	1.8
95.06097	4.2
95.08626	8.1
97.02909	1.7
97.06533	3.4
97.07623	0.7
98.06041	1.5
99.00820	23.3
99.08105	1.7
103.05474	2.4
105.07038	100.0
106.07336	0.9
107.04969	7.2
107.08606	11.8
109.02881	1.6
109.06529	1.7
109.10189	1.8
110.07187	2.0
112.08757	2.2
112.11246	1.5
113.45236	0.8
115.05450	4.0
116.07118	2.1
117.07019	1.4
119.04942	1.3
119.06069	0.7
119.08598	2.3
120.08147	2.6
121.02859	1.0
121.06510	0.8
121.10142	1.6
123.04448	2.0
123.08082	7.6
129.07051	1.1
129.10257	5.1
129.13884	0.9
131.08604	2.1
133.06500	36.0
133.10132	2.8
135.04449	2.1
135.08040	5.3
135.11723	0.9
137.06001	2.3
145.10132	1.1
147.04411	1.8
149.02374	4.3
149.06061	0.9
150.06757	1.1
150.07840	0.9
151.07553	47.6
152.07861	0.9
154.75046	0.8
157.07773	1.2
158.09283	1.1
158.11195	0.9
159.04222	0.9
159.11746	1.2
161.06000	0.8
161.13315	1.2
163.03932	1.2
165.07115	1.1
166.09796	1.9
169.06422	1.0
169.08742	0.9
175.11920	0.8
179.07025	4.9
184.15163	0.8
187.14752	0.9
192.78127	0.8
197.06149	0.9
197.08130	2.2
199.60812	0.9
211.07600	1.2
215.07091	4.1
215.09166	1.8
215.13968	1.3
217.16010	2.0
225.05429	0.8
235.17010	2.5
243.06572	0.9
243.15028	1.6
243.20146	2.5
244.10910	1.1
262.15079	1.4
271.06119	3.2
271.11856	22.0
271.14297	1.3
271.17493	2.4
271.20206	1.1
272.12857	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.01866	0.6
55.05514	24.4
56.05039	1.7
56.05833	0.4
57.03428	0.5
57.07077	1.9
65.03922	0.4
67.05508	12.2
69.03426	0.5
69.07072	22.9
70.06579	1.0
70.62602	0.6
70.62997	0.7
71.04985	1.4
71.08622	0.8
72.08134	0.5
73.06544	0.5
79.05494	4.7
81.07057	16.4
83.04975	1.4
83.08622	14.3
84.08118	0.4
85.06530	1.3
91.05478	2.3
93.07048	5.5
95.08610	16.2
97.06523	2.3
97.10171	7.8
98.09706	0.4
98.97601	0.4
100.07606	0.4
101.06011	0.5
104.54110	0.3
105.07034	2.4
106.07275	0.3
107.05010	0.3
107.08599	3.4
109.03859	0.3
109.06498	0.7
109.10162	6.5
111.08071	1.2
111.11712	1.5
119.08554	2.0
121.10151	3.4
123.08072	0.8
123.11697	2.5
125.09642	0.6
133.10162	2.1
135.11687	3.2
137.09602	0.8
137.13263	0.9
139.11200	1.0
140.10660	0.3
147.11702	1.8
147.12668	0.3
149.13231	1.1
151.11162	0.4
153.12772	0.4
155.65631	0.3
156.13756	0.3
160.12062	0.6
161.13283	0.9
172.12018	0.4
175.14729	0.6
200.15260	0.4
217.19484	0.5
223.20639	0.6
234.22163	0.5
235.20529	0.4
242.19804	0.3
252.23233	28.5
253.23480	0.5
270.24298	100.0
271.24536	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63258	1.1
55.01861	2.3
56.68273	1.0
57.03440	1.5
58.06627	1.2
58.99869	17.0
64.31284	1.1
67.70423	1.1
68.05026	1.8
69.03436	5.7
69.64007	6.5
70.06597	97.9
70.99859	4.1
71.06920	1.3
72.08138	3.4
73.01414	2.0
74.09694	1.0
77.00901	3.7
81.03424	1.9
84.04515	1.3
84.08145	6.5
85.02911	2.2
86.09711	4.8
89.00911	1.3
91.02460	1.6
94.99809	2.3
95.06087	2.7
101.00874	5.6
109.01379	2.0
109.02860	1.1
110.06034	1.8
110.07185	6.7
112.08758	2.2
113.00879	31.0
113.07127	7.7
114.53581	1.2
115.02448	8.6
115.03596	2.6
116.02554	1.3
119.01948	5.3
125.00880	3.7
127.02450	9.0
128.05600	1.5
129.03989	1.4
131.01917	84.1
132.02028	1.7
133.03477	19.5
133.04596	4.0
134.03615	1.4
138.05522	8.3
139.05852	12.5
141.00339	2.6
143.01915	21.7
143.03571	1.3
145.03471	61.7
147.05055	1.9
149.02966	19.6
151.04550	4.4
153.03938	2.0
153.05081	2.1
154.03540	1.8
155.01866	2.0
155.05586	2.3
157.03484	7.7
157.07141	1.9
158.06694	1.5
159.01407	13.9
159.05054	6.4
159.06792	1.9
161.02994	9.1
163.02559	1.3
163.04541	21.7
171.01419	6.4
171.04988	2.8
171.06236	6.4
173.02994	3.6
173.06635	3.1
175.04555	4.8
176.07732	1.2
177.02454	38.2
177.06067	1.1
177.07799	2.7
178.02544	1.2
181.03462	9.4
182.06635	5.2
183.01479	1.3
183.04915	1.3
185.01100	1.0
185.02968	3.6
189.02480	14.8
189.07243	14.5
191.04054	2.6
195.03484	5.8
197.02986	5.3
199.04532	12.2
201.02466	3.1
201.06119	4.2
203.04054	9.8
203.08844	1.2
207.01492	2.0
207.03564	3.7
207.06161	2.2
209.02898	2.7
210.06172	6.9
211.00967	1.9
213.02486	1.1
215.04036	3.9
217.05614	4.5
219.03732	1.2
221.05092	2.2
225.02444	25.4
225.07312	7.2
225.09259	0.9
227.04036	36.7
227.09120	1.2
228.07124	8.9
229.01976	2.2
230.01192	1.3
231.03529	3.5
243.03552	18.6
243.08751	1.1
245.05139	25.5
246.08157	1.6
253.01968	28.9
253.06804	5.4
254.02171	1.5
271.03033	100.0
271.07532	15.1
271.14932	2.0
271.24292	1.3
272.03281	2.2
272.09979	2.0
272.16055	3.3
289.04105	36.7
289.09094	4.0
294.04587	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	270.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.8
55.05508	2.0
55.13712	0.5
56.05047	1.5
60.05657	3.5
67.05491	0.8
68.05036	0.8
69.07066	2.1
70.06597	100.0
71.04997	1.8
71.06930	0.5
71.49855	0.6
72.08161	17.1
79.05487	1.4
80.05029	0.7
81.03385	0.6
81.07080	0.8
82.05329	0.5
82.06597	0.8
83.04980	0.6
83.06112	1.5
84.04514	1.1
84.08151	8.8
86.09713	13.3
91.05492	1.2
93.04518	0.5
93.07066	1.1
95.06103	4.6
96.08138	1.3
97.06551	0.8
97.07671	1.9
98.06072	9.3
99.09241	0.7
105.07044	2.2
107.04969	6.2
107.08590	0.5
108.08127	0.7
110.06055	2.1
110.07175	6.7
110.09737	0.6
111.07548	2.8
112.08734	28.1
112.11242	2.1
113.07132	2.7
114.10348	1.3
115.08683	5.2
119.04934	1.1
120.08138	1.4
123.04443	1.4
124.53887	0.5
125.07111	0.7
129.10269	2.3
129.11314	1.2
130.08672	0.7
131.04929	1.4
133.06523	0.7
134.06052	0.8
135.04427	1.3
136.07581	2.4
138.06604	1.2
138.12798	11.7
139.09834	0.7
140.08209	3.4
141.10201	0.8
143.11787	1.7
147.04428	2.3
151.07574	1.4
156.07741	3.2
156.12502	1.2
157.08090	2.0
157.10864	32.7
162.05504	0.7
163.03896	1.8
164.07109	4.3
165.13864	0.7
166.12288	2.4
167.15480	1.0
171.11322	0.5
182.16574	0.9
183.14954	19.4
195.07993	1.2
208.14420	0.9
211.14438	4.8
219.83447	0.6
223.07599	1.1
224.16170	0.5
225.17126	8.8
227.07054	1.5
241.08594	1.9
242.19778	40.7
253.11989	0.5
253.16658	3.6
255.06532	1.5
270.08691	1.7
270.11374	2.4
270.13583	1.6
270.16989	1.2
270.19284	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	270.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63763	3.2
55.01874	5.5
55.93531	8.6
56.96576	5.4
59.05014	16.5
60.04529	9.4
64.29148	3.1
66.88609	3.7
70.06603	23.0
70.30408	12.7
71.01363	3.5
72.08160	13.8
75.04484	12.0
84.04502	7.8
84.08144	19.4
85.02905	5.5
86.09703	10.1
87.04471	25.2
89.06054	4.7
91.05483	4.6
98.06042	3.6
103.03934	10.7
107.04925	3.9
110.07167	9.7
111.07465	3.6
112.08688	4.8
112.80203	3.7
115.08759	3.7
119.03385	4.7
120.08093	8.8
126.65885	3.5
129.10248	6.5
131.03438	12.3
131.78429	3.2
136.07608	13.4
138.05505	14.1
140.37473	3.6
143.11812	5.1
157.10780	6.5
161.03224	6.5
161.04448	37.9
162.05481	4.3
162.55693	3.7
177.22531	3.9
180.09724	3.3
186.99190	8.8
205.00179	4.9
217.03459	100.0
235.04524	21.0
270.14398	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	270.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.5
55.01873	0.8
55.05503	1.5
57.03441	0.9
58.06594	1.1
60.04523	1.5
67.05489	2.4
68.05030	1.4
69.03420	1.5
69.07074	0.7
70.06598	18.3
71.04980	0.6
71.49867	0.7
72.08165	5.4
79.05492	4.5
80.05006	0.6
81.03431	1.4
81.04572	0.5
81.07066	7.3
82.06586	1.4
84.04515	1.2
84.08170	2.9
86.09729	2.8
91.05474	1.6
93.07047	1.8
94.06554	1.0
95.04968	0.9
95.06042	1.2
96.08121	0.6
97.06537	2.1
98.06062	1.7
99.04469	1.0
99.06918	0.5
107.04965	3.9
109.06524	5.1
109.60525	0.4
110.06075	3.1
110.07169	0.9
110.09692	21.3
112.08745	4.7
112.11285	0.8
113.07178	0.6
115.08733	0.9
120.08129	3.6
121.06506	0.7
121.10160	0.7
125.05987	2.1
126.09234	1.2
127.03884	1.3
127.07557	2.3
128.64639	0.7
129.10252	0.7
130.04976	0.7
138.09152	97.2
138.12769	1.9
139.09438	0.7
145.04976	1.9
147.04446	0.8
149.05943	0.8
156.10213	100.0
157.10841	6.8
162.05505	0.9
164.07062	1.2
182.11797	1.1
183.14958	2.6
210.11250	0.8
211.14427	1.2
211.74542	0.5
212.04686	0.9
215.47281	0.5
225.17130	1.4
227.07025	1.1
242.19759	6.2
252.12489	1.1
255.06659	0.7
270.13394	76.7
270.19415	4.0
274.10815	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2267
Annotation	Anhydrovitamin A1
Peak:m/z	Relative Intensity
53.05754	0.6
55.05513	4.6
57.07067	1.7
67.01262	0.6
67.05513	6.6
69.07066	6.0
70.89326	0.9
70.89647	0.8
71.08629	0.7
76.16805	0.6
79.05507	6.5
81.06597	1.1
81.07059	18.0
83.08599	2.0
91.05483	6.6
93.07047	13.3
95.08609	13.1
97.10158	0.8
105.07036	17.6
106.68237	0.7
107.08601	17.3
109.10167	9.9
110.95256	0.6
117.07019	3.2
119.08592	17.7
119.09467	0.9
121.10151	11.3
123.11702	5.2
128.06281	1.0
129.06990	3.0
130.07855	0.6
131.08591	9.4
133.10139	8.9
135.11729	3.9
137.13298	0.8
142.07784	2.7
143.08578	9.4
144.09308	1.7
145.10130	14.5
147.11688	10.3
149.13289	2.9
155.08469	0.8
156.09361	2.5
157.10141	16.4
158.10892	1.9
159.11713	19.2
161.13263	10.4
163.14816	2.0
169.10204	0.7
170.10895	0.8
171.11690	10.2
172.12434	0.7
173.13290	11.5
175.14821	7.2
177.16359	0.9
183.11725	1.3
185.13274	8.7
187.14880	5.2
189.16339	0.9
197.13165	1.0
198.14079	1.0
199.14832	12.3
200.15544	2.0
201.16368	3.8
211.14726	0.8
213.16396	20.3
214.17172	1.4
225.16286	0.8
227.17947	6.3
239.18123	0.7
241.19495	2.1
269.22653	100.0
270.23077	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2264
Annotation	Anhydrovitamin A1
Peak:m/z	Relative Intensity
50.76868	0.6
53.03941	0.8
55.05520	5.1
57.07068	1.1
57.60098	0.6
67.05504	5.9
69.07069	6.9
71.04620	1.2
71.04960	1.0
76.22787	0.6
79.05497	6.9
81.06593	1.3
81.07061	20.1
83.08611	2.3
91.05492	6.1
93.07055	13.4
95.08615	15.3
96.99577	0.6
97.10155	1.9
105.07039	20.6
107.08601	19.2
109.10165	12.7
115.05491	0.7
117.07037	3.2
119.08588	20.6
121.10151	9.9
123.11723	4.7
128.06273	1.5
129.07018	3.1
130.07799	1.0
131.08559	9.8
133.10138	10.4
135.11684	4.8
137.13234	1.0
142.07799	3.1
143.08566	9.7
143.10335	0.7
144.09306	1.7
145.10139	16.4
147.11693	11.3
149.13289	3.5
155.08517	0.6
156.09323	1.9
157.10147	16.5
158.10895	1.7
159.11697	21.7
161.13258	12.9
163.14836	2.3
169.10091	1.5
170.10953	0.8
171.11696	12.5
172.12431	0.8
173.13275	13.7
174.56714	0.5
175.14821	9.0
183.11673	1.7
184.12476	0.9
185.13289	9.4
187.14877	5.1
189.16360	1.5
197.13184	1.2
198.14067	1.5
199.14828	14.2
200.15535	1.5
201.16397	4.0
211.14865	0.9
212.15633	0.7
213.14357	1.3
213.16386	20.3
214.17062	1.4
226.16953	1.3
227.17943	7.5
227.19901	0.9
239.17761	0.7
241.19498	2.6
262.88724	0.6
269.22653	100.0
270.22998	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
55.01869	1.3
55.05516	7.0
57.03444	13.2
57.07072	2.1
65.03946	4.2
67.05508	47.8
69.03437	1.1
69.07076	9.5
70.06589	0.7
71.04994	1.9
71.50130	0.8
72.08158	3.8
72.08494	0.6
79.05498	9.7
81.03410	1.1
81.07062	22.9
82.48891	0.8
83.04979	3.2
83.08624	4.3
84.08118	0.9
85.02907	0.7
85.06077	1.0
85.06550	9.3
91.05483	8.2
93.07047	21.0
93.07642	1.0
95.04973	58.9
95.06070	4.3
95.08611	22.8
97.06530	2.8
97.10184	1.1
99.04457	0.8
99.08083	1.5
101.06039	0.6
103.05468	0.7
104.09523	0.6
105.07038	12.5
107.04984	1.7
107.08601	14.9
109.06519	2.0
109.10169	11.1
110.07179	2.5
111.04464	1.0
111.08067	1.3
112.08746	2.4
113.06013	15.3
116.98679	0.9
117.07024	2.8
119.08590	11.3
120.08110	1.6
121.06516	1.3
121.10155	13.6
123.08069	0.9
123.11697	5.0
125.06023	1.2
129.07002	2.0
131.08580	7.9
133.06491	1.8
133.10136	7.1
135.08055	1.8
135.11705	3.6
137.09691	0.8
137.13248	0.9
138.06638	2.2
139.11150	1.2
141.06984	1.0
142.07765	2.4
143.07056	1.4
143.08569	5.6
144.09261	0.8
144.29594	0.7
145.10124	9.6
147.07941	0.6
147.11700	5.9
149.09618	3.0
149.13272	9.7
155.08539	0.7
156.09398	0.9
157.08752	1.3
157.10112	9.6
159.11702	12.6
161.13252	6.1
163.11171	0.8
168.79520	0.7
169.08611	100.0
170.10947	1.0
171.11705	6.5
173.13292	6.4
175.14841	2.2
177.09181	1.3
177.12714	3.2
181.06639	0.7
183.11667	1.0
185.13275	5.4
187.14868	3.0
189.16403	0.9
191.08307	1.9
191.17934	1.2
192.08907	9.1
195.11740	0.8
195.13779	1.2
197.13222	1.0
199.14856	6.2
201.16350	0.9
209.19035	0.8
211.14879	1.2
213.16370	9.0
214.17047	1.0
220.08394	8.3
227.17935	2.7
237.08762	1.4
237.71382	0.7
238.09483	3.7
241.19528	1.1
251.19940	1.3
252.11003	7.4
260.11566	1.2
269.13620	7.0
269.17484	51.7
269.22614	47.6
287.13504	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.8
57.07079	1.4
65.03944	1.1
67.05505	8.2
69.07068	5.9
70.07486	2.8
71.10845	0.6
79.05494	6.0
81.07057	20.8
83.08614	1.6
85.06547	1.0
91.05486	6.9
93.07050	12.1
95.08607	17.4
97.10142	0.9
105.07037	19.1
107.08592	16.6
109.06510	1.2
109.10159	11.3
115.05457	0.7
117.07030	3.2
119.08580	21.4
121.10145	11.7
123.11720	5.1
129.07021	3.0
130.07843	0.7
131.08566	8.2
133.10129	11.8
135.11685	4.3
142.07776	2.4
143.08568	6.9
144.09319	1.4
145.10126	13.0
147.11699	10.2
149.13295	4.0
155.08537	0.7
156.09326	2.0
157.10132	13.8
158.10924	1.3
159.11705	18.7
161.13266	9.6
163.14804	2.3
169.10136	0.9
171.11694	9.4
172.12408	0.9
173.13271	11.1
175.14838	9.3
177.16528	0.7
177.88966	0.6
183.11552	0.7
184.12436	0.6
185.13263	7.4
187.14844	5.5
189.16374	2.1
198.14084	0.8
199.14833	9.9
200.15459	1.2
201.16373	3.2
211.14923	0.9
213.14359	1.0
213.16396	17.1
214.17136	1.3
227.17937	5.0
241.19530	2.1
269.22644	100.0
270.23074	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
69.72557	0.3
70.27456	0.9
72.08160	0.4
74.32124	0.3
75.70071	0.3
95.09392	0.4
102.40701	0.3
102.80413	0.3
165.07024	2.9
178.07831	0.5
179.08597	2.1
180.09360	2.9
181.06462	0.4
189.06964	4.1
190.07800	15.4
191.08572	100.0
192.09076	2.0
201.07033	0.7
205.10147	3.0
207.08090	1.4
208.08849	7.7
218.07307	2.9
219.08075	70.9
220.08823	10.0
228.54549	0.3
233.09622	0.7
235.07626	0.6
236.08336	15.5
251.10699	75.4
252.11131	1.6
268.13333	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	268.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99875	0.8
68.05044	1.8
68.98296	2.4
70.06596	100.0
70.42022	1.6
72.08138	0.7
84.08093	0.7
85.01443	0.8
86.99349	2.3
88.02237	0.6
88.68458	0.6
94.05019	0.8
98.06068	1.1
103.02460	2.0
110.04567	6.0
115.02466	1.0
128.05594	13.6
128.06462	1.2
131.01921	1.4
133.03508	4.2
134.02707	1.5
136.06216	2.3
137.01927	1.0
138.04036	2.3
142.03496	0.7
143.01938	0.8
145.03513	2.4
146.06631	4.1
154.03503	18.0
156.05067	25.8
172.04570	26.3
173.02968	0.8
174.06140	58.8
175.06447	1.1
178.07205	1.8
180.08870	0.9
190.05629	6.8
192.07182	21.1
196.08209	12.9
198.09814	1.6
199.04515	1.7
214.09282	2.5
222.06131	16.4
224.07683	13.4
227.04019	2.5
240.07196	18.3
242.08769	20.7
245.05135	3.1
250.05644	5.2
268.06677	59.9
269.07037	1.4
286.07730	29.4
286.10959	1.4
287.07986	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1041
Annotation	Adenosine
Peak:m/z	Relative Intensity
56.13786	0.2
57.03435	0.3
59.56422	0.2
65.61635	0.2
69.03428	0.3
70.06609	1.3
71.48601	0.3
72.08157	0.5
73.02924	0.2
84.04505	0.2
84.08147	0.4
85.02888	0.3
94.04076	0.2
95.06093	0.9
98.02179	0.2
98.06097	0.2
98.97583	0.2
110.07175	0.4
112.07588	0.3
119.03548	1.1
120.08105	0.6
121.08427	0.7
124.04027	0.2
136.06190	100.0
137.04585	0.3
137.06541	0.3
151.08806	0.3
158.06693	0.7
173.51550	0.2
185.03059	0.2
188.07785	0.3
224.07700	0.6
239.08719	0.2
242.08948	0.3
268.10480	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	268.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.7
55.05499	0.9
57.03438	6.5
58.02961	5.1
60.88985	0.8
61.02935	11.5
67.05502	0.9
69.03448	4.7
69.03765	0.8
70.06597	1.5
70.80457	1.6
70.80807	1.0
71.01349	0.9
72.08160	4.9
73.02923	100.0
79.05507	0.9
81.03430	1.4
81.07081	0.9
84.08175	1.1
85.02904	3.5
86.09701	1.2
87.04462	1.4
91.05502	1.9
95.06110	3.0
97.02920	1.7
112.08739	1.9
115.03944	11.6
118.06561	2.3
119.07330	9.6
120.08101	1.2
124.03938	0.8
133.04967	3.8
136.06313	2.6
136.07588	70.1
138.06660	1.3
165.25557	0.8
166.29018	0.9
224.16640	0.9
260.11429	1.1
268.11420	2.2
268.22803	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	267.1592
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03952	4.3
55.01874	2.1
55.05513	6.8
57.03442	18.0
65.03947	0.9
67.05505	12.7
69.03441	1.7
69.07072	2.2
69.94295	1.4
69.94691	1.5
71.05029	1.3
73.27237	0.6
79.05491	12.2
81.03423	100.0
81.07063	10.9
83.04987	4.2
83.08621	16.7
85.06522	0.6
91.05488	17.8
93.07050	6.5
95.04971	20.1
95.08607	5.3
97.02888	1.6
97.06535	1.5
97.10185	1.7
98.20849	0.8
98.98487	1.2
105.07037	12.2
106.62519	0.6
107.04946	4.8
107.08643	3.4
109.06538	3.5
109.10172	1.3
111.04455	1.4
111.08089	6.3
115.05508	0.7
117.07019	1.6
119.04981	1.1
119.08591	10.8
121.06512	2.6
121.10139	4.5
123.08067	1.8
129.07019	7.6
131.08580	7.8
133.06471	2.1
133.10130	3.9
136.93141	3.0
137.09648	2.0
142.07777	2.6
143.08583	0.8
145.10117	1.4
147.08041	3.0
147.10672	0.8
147.11717	6.8
149.09639	2.8
154.94180	2.3
155.08533	1.0
157.10129	8.5
163.11195	1.1
165.12762	2.5
172.95232	1.8
173.50099	0.7
175.11229	9.2
188.32584	0.9
193.12244	18.4
210.96771	1.0
211.13313	2.5
234.70219	0.6
249.14856	1.0
252.74979	0.6
267.15909	43.6
267.20911	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88299	0.8
53.03936	0.9
55.05513	4.3
58.44494	0.7
58.49625	0.6
58.97868	0.6
59.13314	0.7
60.19690	0.7
63.77744	0.7
64.49245	0.6
67.05506	7.9
69.07070	5.7
69.70686	0.6
71.23453	1.0
71.23788	0.7
72.08139	1.8
79.05490	6.3
81.03425	1.4
81.07063	15.0
82.36230	0.6
83.08628	2.5
84.08106	0.7
91.05489	8.2
93.07053	12.1
95.04985	1.7
95.06087	1.6
95.08619	13.3
97.10155	1.7
98.26524	0.7
103.05491	1.8
105.07043	16.5
107.08601	11.1
109.06523	0.7
109.10153	7.5
117.07028	4.0
119.08596	16.3
121.06494	2.0
121.10145	7.7
123.11691	2.6
127.37611	0.7
128.06226	2.0
129.06973	3.7
130.07762	0.8
131.04919	2.8
131.08582	7.7
132.05260	1.3
133.10138	7.8
135.11687	3.1
141.06993	3.4
142.07779	4.2
143.08569	10.4
144.09322	2.0
145.10133	14.9
147.11691	4.7
149.09636	0.9
149.13258	0.8
153.07007	0.7
155.08571	11.0
156.09325	5.2
157.10149	16.2
157.11346	1.4
158.10849	0.7
159.11703	17.4
159.13033	0.9
160.12228	0.7
161.13268	2.7
167.08585	3.1
168.09373	2.6
169.10133	19.3
170.10869	2.6
171.11700	14.1
173.13274	9.5
175.11182	1.1
175.14745	1.4
179.08476	1.2
181.10153	3.5
182.10883	3.9
183.11708	17.4
184.12392	1.0
185.13295	9.5
186.14069	1.4
187.14833	2.6
191.08588	4.7
194.10968	1.0
195.11714	3.2
196.12498	4.0
197.13275	21.7
198.14078	1.2
199.14838	5.6
209.13354	3.7
210.14088	1.9
211.14832	26.2
212.15547	2.0
213.16312	1.2
219.08073	3.8
223.14871	2.1
224.15587	1.2
225.16406	10.9
227.05960	0.9
237.16362	1.3
238.17139	1.0
239.17923	3.6
245.06961	1.2
251.10742	3.8
252.18811	1.9
267.21103	100.0
268.21536	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	266.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.6
61.02940	1.3
68.28906	0.4
71.04997	1.8
71.32752	0.5
79.05479	0.5
81.07071	3.1
94.04063	1.4
97.27898	0.3
119.03551	3.2
122.00641	0.3
136.06190	100.0
137.04587	1.0
150.07764	0.4
234.13507	19.6
266.16135	42.1
267.16302	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1342
Annotation	H-Thr-Phe-OH
Peak:m/z	Relative Intensity
50.40075	0.6
56.05042	20.8
57.03449	3.7
58.06607	4.0
67.05505	0.9
70.06591	1.7
70.79931	1.7
70.80329	0.6
72.08168	2.7
74.06088	100.0
84.04512	4.5
84.08148	2.2
86.09723	1.0
87.69890	0.5
91.05498	1.9
95.06095	0.8
101.07121	1.1
103.05486	2.8
107.04969	1.6
120.08118	59.9
121.06536	1.6
121.08452	0.9
122.07147	1.0
129.10277	1.0
131.04999	1.9
144.08136	0.6
147.21133	0.5
149.06131	0.9
153.05608	0.6
158.09660	0.9
158.75819	0.7
164.16284	0.6
166.08658	39.4
168.03305	0.6
176.10794	1.9
203.11897	0.9
221.12898	7.0
249.12399	3.5
267.13419	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	266.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	4.4
57.07071	2.9
58.28859	0.7
62.99086	5.6
67.05493	3.2
69.07076	29.4
69.60870	4.1
70.02962	2.6
70.06589	2.1
72.08161	2.0
73.02909	0.8
74.02412	0.7
81.07064	0.6
83.08634	0.9
84.08127	1.3
86.09730	1.9
86.26071	0.6
87.02708	3.4
88.03999	100.0
91.05474	0.8
92.01691	1.0
93.07095	0.7
95.06062	0.8
98.06064	0.6
98.20764	1.4
103.05456	1.3
107.08629	0.7
109.10178	0.8
111.11734	1.4
117.03443	0.8
120.08137	3.3
120.99609	3.5
122.07166	1.3
123.07481	1.0
136.06209	2.3
138.02222	4.8
143.08955	1.6
145.02898	0.7
161.09972	34.5
177.05481	1.2
189.06956	0.8
191.91609	0.7
217.06526	1.1
220.13676	1.3
248.13306	3.0
266.14114	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	266.0363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92498	0.4
56.05032	0.5
69.03435	0.7
70.03860	0.3
70.06598	2.4
71.49089	0.5
72.08167	1.7
79.05526	0.3
81.04556	2.5
82.04868	0.8
82.99870	1.4
84.04531	0.4
84.08151	2.6
85.02861	0.3
86.06033	0.3
86.09705	3.7
98.06061	0.4
101.00282	0.7
101.00887	8.2
103.00646	0.9
104.10732	1.0
110.07213	0.4
113.76923	0.3
116.07070	0.5
117.00058	1.0
119.01930	8.4
120.02144	0.4
121.01672	1.1
122.07166	12.3
122.08051	0.7
123.07527	8.6
127.03919	0.8
129.10294	0.6
131.01874	0.5
133.01711	0.4
134.03262	0.4
134.99884	0.8
136.06158	0.6
137.02951	0.5
140.98802	2.6
143.01901	0.5
144.04790	3.6
144.99599	1.9
145.01701	0.4
145.05165	3.2
158.99893	6.1
163.02730	1.3
164.00407	0.4
164.03094	1.0
170.02692	0.8
173.02936	0.5
173.40277	0.4
173.69882	0.4
175.02950	0.6
177.00960	18.5
177.02197	1.2
177.05510	0.5
178.01093	0.7
182.99876	1.1
185.03055	0.5
190.09348	0.4
199.03018	0.6
201.00937	4.8
201.02518	0.4
205.03659	0.4
208.10350	0.4
217.02074	0.8
217.04100	3.0
219.02026	23.6
220.02222	0.7
224.02657	0.4
225.00836	2.2
239.48309	0.4
243.02008	14.6
244.02203	0.7
249.04449	0.6
252.09329	0.4
256.10318	0.6
261.03085	100.0
262.03220	3.1
266.00912	0.4
266.03671	1.4
266.06409	0.7
266.15970	2.0
284.04773	1.7
284.09955	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1801
Annotation	Speciosin K
Peak:m/z	Relative Intensity
53.03949	9.3
55.01877	29.0
55.05516	26.5
57.03427	10.1
60.58895	4.0
65.03970	4.3
65.21488	3.5
65.78767	3.4
67.05512	74.4
67.91978	4.6
69.03420	10.0
69.07074	73.5
71.04993	6.2
72.08163	3.5
73.06556	4.3
74.56544	3.6
75.14346	3.2
79.05499	82.6
81.03456	8.1
81.03909	3.9
81.04547	12.7
81.07059	71.2
83.04977	11.9
83.08625	11.6
85.06550	16.1
91.05494	70.9
93.07051	65.1
95.04969	27.7
95.08614	49.6
97.06544	38.5
98.97562	5.9
99.08111	4.2
103.05457	5.3
105.07030	51.0
105.09345	4.2
107.04974	26.8
107.08603	100.0
109.06547	18.8
109.10147	20.5
109.22996	3.3
111.08109	4.8
115.05508	3.1
117.07021	25.6
119.08570	36.9
121.06519	12.9
121.10161	30.6
122.07162	63.1
123.08069	15.2
123.11742	5.2
125.06020	15.1
128.06241	4.4
128.69412	3.9
129.07033	7.9
130.07765	5.1
131.08582	49.6
133.06503	5.2
133.10144	32.3
135.08063	29.4
135.11688	13.0
137.05879	3.6
137.09630	13.5
141.06970	5.4
142.07843	3.4
143.07040	16.2
143.08585	9.9
144.04810	13.7
145.02827	4.5
145.06491	6.9
145.10144	52.8
147.11674	10.5
149.09621	55.1
151.11179	11.0
155.08601	9.9
157.10133	11.2
159.08029	9.2
159.11690	25.5
161.08173	5.0
161.09586	9.2
161.13205	5.4
163.11208	18.1
165.09109	7.7
169.10117	9.9
171.08057	14.3
171.11664	6.3
173.09639	10.4
173.13324	10.4
175.11313	5.0
177.05492	4.7
177.09117	5.2
179.08540	8.0
183.11697	4.9
185.13202	6.3
187.11221	7.8
187.14790	10.0
190.07887	4.5
191.08641	11.3
191.10574	4.5
194.10915	7.0
195.11726	5.5
201.16399	47.4
204.09486	5.3
205.10144	3.9
205.12224	4.7
205.15959	4.8
207.08023	5.6
209.09692	8.7
211.14838	12.8
219.08075	8.6
219.17445	20.1
222.10269	3.7
223.11302	5.2
229.15865	30.0
232.12563	4.1
234.10419	12.8
235.07611	20.0
247.14566	6.0
247.16956	87.1
247.19485	5.0
248.85109	4.0
249.08946	4.3
250.09904	19.1
265.12064	32.3
265.15555	23.1
265.17966	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	265.1802
Annotation	Speciosin K
Peak:m/z	Relative Intensity
50.16745	4.1
53.03935	9.1
55.01867	29.0
55.05514	25.1
57.03421	5.7
60.24498	4.3
65.94104	3.8
67.05511	64.0
69.03420	9.6
69.07075	94.0
71.04996	8.7
71.50316	5.7
72.03738	3.8
73.06567	5.4
79.05503	91.7
81.03416	23.9
81.04553	4.1
81.07063	72.6
83.04978	11.2
83.08614	16.8
83.14391	3.8
85.02876	4.6
85.06546	12.0
91.05490	67.3
93.07051	58.1
95.04974	66.8
95.08623	49.2
97.02896	6.7
97.06532	33.7
98.97579	14.6
99.04478	4.8
105.07049	55.3
107.04978	31.9
107.08603	100.0
109.06518	15.3
109.10165	24.4
111.08089	6.6
112.99155	4.9
115.07584	4.7
115.98286	3.7
117.07031	19.9
119.08595	29.2
121.06494	7.1
121.10175	23.5
122.07171	24.5
122.41141	3.7
123.08080	10.0
123.60015	4.0
125.06019	5.9
129.07028	7.3
131.00124	6.0
131.08594	45.7
133.06503	7.9
133.10156	26.2
135.08064	44.9
135.11702	11.3
137.09639	11.1
143.07062	23.1
143.08560	7.2
144.04814	7.6
145.10136	44.6
147.08070	6.7
147.11703	8.2
149.01169	5.4
149.09630	58.2
151.07512	4.5
155.08606	4.3
157.10135	7.0
159.08023	8.0
159.11696	22.2
161.09599	8.5
161.92714	3.9
163.11180	12.3
169.10124	9.6
171.11584	6.1
173.01244	6.3
173.09726	6.1
173.13225	11.4
177.00757	6.7
179.08583	7.8
185.13390	8.2
187.11287	8.3
187.14810	12.1
191.08580	6.7
191.10680	4.8
195.11758	4.6
201.16377	39.4
207.08040	8.3
209.11771	14.6
211.14815	13.0
219.08118	8.1
219.17458	11.9
223.14862	4.7
229.15895	25.6
234.10423	16.7
235.07523	13.7
247.16966	75.7
250.09949	13.0
265.12238	39.0
265.14661	7.2
265.15094	7.0
265.17783	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1799
Annotation	Flavalin C
Peak:m/z	Relative Intensity
51.31057	1.6
53.03949	4.0
55.01854	2.1
55.05514	13.3
63.34841	1.7
64.80589	2.1
67.05511	26.3
69.03432	25.4
69.07069	30.5
69.32830	16.2
71.04984	2.1
73.06564	4.6
75.93108	2.2
78.73646	2.1
79.05500	58.9
81.03431	2.2
81.07065	20.8
83.08627	3.0
85.06535	3.3
91.05483	26.6
93.07056	43.6
95.04944	4.7
95.08614	17.8
97.06538	9.5
105.07036	20.8
106.25725	2.0
107.04964	19.0
107.08598	27.6
109.10159	9.1
111.08105	2.6
115.05522	2.8
115.07558	2.1
117.07015	14.0
119.08583	16.1
121.06508	4.6
121.10160	14.6
122.07167	11.8
123.11735	2.7
125.06016	10.0
128.06250	5.0
129.07007	6.7
131.08582	33.4
133.10144	18.8
135.08066	5.4
135.11656	3.5
142.07747	2.6
143.07048	23.0
143.08588	10.0
144.04762	2.5
145.10126	21.3
147.08070	3.1
149.09631	90.6
155.08644	2.9
157.06511	2.6
157.10106	6.9
159.08041	2.9
159.11740	19.6
161.08127	5.1
165.07024	6.1
167.08519	2.4
169.10118	5.3
171.08064	38.1
173.13289	11.5
180.09392	3.0
181.10156	7.3
183.08049	5.2
183.11717	3.5
185.13283	4.9
189.12617	2.3
190.07889	1.9
193.10115	1.9
194.07278	4.2
195.08020	6.6
195.11760	5.1
196.12556	2.1
197.09589	4.7
197.13206	2.1
201.16388	54.9
205.10323	2.1
205.12312	2.3
208.08876	5.4
209.09604	22.0
210.10289	2.9
211.14854	3.7
222.10403	3.3
223.11195	6.6
229.15924	17.2
232.12372	2.9
234.10435	3.6
235.07570	2.0
235.11180	3.7
236.11951	3.3
237.12679	3.5
237.16241	2.7
247.14865	2.6
247.16985	14.6
250.13361	5.7
265.12341	6.8
265.15863	100.0
265.18039	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	265.1803
Annotation	Speciosin K
Peak:m/z	Relative Intensity
53.03945	10.5
53.81051	2.4
55.01875	14.6
55.05271	4.3
55.05519	48.5
57.03442	7.6
57.07069	5.2
65.03943	3.8
67.05513	85.4
69.03435	12.3
69.07079	65.1
70.54824	8.3
71.05003	13.2
72.08160	10.4
73.06563	5.9
79.05503	88.2
79.58109	2.7
80.19122	2.5
81.03431	17.0
81.04552	8.8
81.07068	100.0
83.04987	11.4
83.08629	41.0
85.06563	21.7
91.05487	64.3
93.07054	62.6
95.04989	32.0
95.08616	66.0
97.06548	29.5
98.97578	4.3
99.08147	2.7
101.06020	6.4
102.36790	2.9
103.05480	2.9
105.04514	4.5
105.07039	46.1
107.04982	17.8
107.08610	64.5
109.06522	29.1
109.10159	31.7
111.04407	4.2
111.08075	18.5
115.07565	5.0
117.07014	18.3
119.04919	3.9
119.06042	2.9
119.08598	34.0
121.06522	10.1
121.10150	30.3
122.07168	84.4
123.08122	14.1
123.11733	9.7
125.06014	9.8
125.09595	4.0
127.07575	4.8
129.07001	11.3
129.09074	2.9
130.07797	3.2
131.08592	40.4
133.06534	4.8
133.10149	26.1
135.04413	2.7
135.08078	18.6
135.11700	12.3
137.06003	11.3
137.09660	25.3
137.13318	3.0
139.07573	4.2
141.06984	4.4
143.07037	17.6
143.08588	10.4
144.04800	26.5
145.02831	4.1
145.06485	3.2
145.10129	41.8
147.08044	4.6
147.11681	10.4
149.09647	26.4
151.11198	4.6
155.08548	5.1
157.10114	6.3
158.37029	2.7
159.11708	15.5
161.08188	4.4
161.09618	5.2
163.11194	17.1
165.07121	3.6
169.10136	10.1
171.11707	4.9
173.09578	6.1
173.13289	11.6
175.09691	7.2
175.11252	4.9
177.05577	7.1
177.09138	5.2
179.08574	9.7
179.10641	3.1
181.10146	3.3
183.11710	4.3
185.13237	5.3
187.11176	4.6
187.14842	8.7
191.08624	8.6
191.10551	5.8
191.14302	7.1
195.10097	4.2
195.11797	3.8
201.16373	24.3
203.08627	2.8
203.14354	2.5
205.10335	2.9
205.15897	3.1
207.08093	5.1
207.11653	5.3
209.09674	3.6
209.11647	4.0
209.13513	3.2
211.14882	13.9
217.06505	2.9
219.08142	8.1
219.17461	8.9
220.17815	3.5
221.09679	4.5
223.14804	4.3
229.15935	19.6
233.09741	3.1
234.10458	13.9
235.07526	19.5
236.08385	5.7
247.14804	2.8
247.16966	56.0
249.09052	6.5
250.09966	18.2
265.12042	32.3
265.14749	10.5
265.17978	50.2
265.21912	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.18
Annotation	12-Oxo-2,3-dinor-10,15-phytodienoic acid
Peak:m/z	Relative Intensity
53.03926	2.4
55.01860	7.1
55.05286	1.6
55.05513	15.9
57.03436	2.4
57.07075	3.0
58.76619	1.8
67.05509	49.1
69.03433	2.6
69.07069	47.0
70.95415	4.0
71.04978	6.8
72.08121	2.7
78.98130	1.9
79.05492	32.5
81.03416	5.2
81.04528	3.6
81.06610	3.5
81.07059	51.4
83.04984	13.1
83.08595	6.6
85.06554	10.0
91.05479	33.3
93.07055	42.2
95.04966	12.7
95.08617	30.9
97.06538	9.3
99.08108	3.5
105.07030	39.1
107.04955	18.1
107.08575	23.4
109.06506	10.0
109.10152	16.4
117.07032	12.2
119.08598	19.1
121.06486	12.1
121.10155	25.0
122.07160	19.0
123.08058	8.9
123.11655	4.5
129.06976	5.5
131.08578	24.5
133.06529	3.4
133.10155	22.8
135.08054	9.6
135.11693	10.8
137.09608	7.3
143.08548	6.6
143.29276	2.0
144.04773	6.5
145.10123	38.9
147.08015	4.9
147.11699	8.9
149.09630	26.5
149.13275	2.9
151.11177	14.2
155.08516	4.4
157.10118	3.0
159.08130	3.6
159.11684	13.3
161.09633	4.6
161.13248	5.4
163.11194	44.6
165.09113	3.3
169.10115	4.0
171.11662	3.3
173.09616	7.9
173.13274	4.5
175.14798	4.2
177.12805	4.9
177.16379	4.4
179.08572	6.2
179.10658	9.6
183.11716	2.3
185.13213	4.8
187.11139	7.3
187.14769	6.8
189.07076	3.2
189.12798	2.1
190.07657	2.8
191.08565	7.8
191.10634	8.9
193.10127	2.2
193.12408	1.8
201.16371	21.8
203.08563	4.9
203.14281	4.6
205.10266	3.4
205.12154	3.9
205.16011	2.3
207.08023	8.5
209.11711	7.0
211.14789	7.8
217.06451	2.4
218.07315	3.6
219.08087	9.5
219.17456	34.7
221.05965	4.5
221.09541	3.9
221.15248	2.1
221.71800	2.0
229.15816	20.2
233.09561	4.0
234.10381	21.0
235.07547	23.9
237.18546	3.6
247.16956	60.3
249.09138	3.2
250.09903	25.6
265.12173	42.9
265.17987	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1801
Annotation	Speciosin K
Peak:m/z	Relative Intensity
53.03943	7.2
55.01868	12.3
55.04184	1.7
55.05516	15.5
57.03418	4.4
57.07071	3.4
59.04999	2.0
65.03935	4.9
67.05507	48.5
69.03418	5.5
69.07069	33.4
71.04988	6.7
71.50328	1.9
71.50755	2.0
72.08163	10.5
73.06538	2.9
76.84899	1.6
79.05493	48.4
81.03425	12.4
81.04537	15.3
81.06601	2.3
81.07059	44.3
83.04997	10.6
83.08600	6.8
84.08160	3.3
85.02917	3.2
85.06520	5.8
87.34720	1.7
91.05489	33.8
93.07051	36.4
95.04971	14.4
95.08607	26.3
97.02913	2.0
97.06541	17.6
99.04453	2.2
99.08054	2.3
105.07032	28.9
106.08009	1.6
107.04973	20.0
107.08604	59.2
109.06553	10.4
109.10165	14.1
111.08067	3.2
112.11226	1.9
113.06009	2.9
115.05418	2.3
117.03419	2.2
117.07042	20.1
119.07810	2.6
119.08592	33.6
120.08100	1.7
121.06503	7.6
121.10155	24.0
122.07163	100.0
123.08030	6.9
123.11690	3.3
125.06013	8.1
125.09589	1.9
128.06175	2.7
129.07008	6.7
130.07785	3.1
131.08582	30.6
133.06500	2.5
133.10130	21.4
135.08093	13.3
135.08946	2.9
135.11726	11.3
137.05931	2.0
137.09608	6.4
139.07565	2.6
141.06972	4.7
143.07066	11.5
143.08516	9.1
144.04790	30.4
145.02852	5.3
145.06503	4.3
145.10127	44.0
147.08040	6.3
147.11682	8.6
149.09625	25.3
151.11136	3.3
155.08539	6.5
156.09328	3.9
157.10121	6.3
158.07242	1.9
158.10962	3.4
159.08022	4.3
159.11674	16.2
161.08284	1.7
161.09662	5.9
161.13260	4.3
163.11205	10.9
165.07045	3.4
165.09100	7.1
169.10120	5.5
171.11662	4.3
173.09668	14.3
173.13269	25.8
175.14824	2.6
177.05472	6.5
177.12663	2.1
177.16418	2.3
178.07782	4.2
179.08556	14.1
181.10036	3.4
181.12204	2.1
183.11658	3.8
185.13318	4.8
187.11279	8.3
187.14848	13.6
189.07014	7.8
189.12724	2.7
190.07750	6.0
191.08565	27.6
191.10640	10.0
191.14355	2.4
193.10030	2.7
201.16386	15.7
202.07747	4.5
203.08554	7.8
203.14244	2.0
205.06578	2.0
205.10159	4.5
205.12160	3.0
205.15897	2.0
207.08083	13.8
207.13760	2.1
208.08682	2.2
209.11623	3.4
209.13412	2.1
211.14795	9.7
214.13451	2.2
217.06548	4.9
218.07272	8.0
219.08064	24.1
219.17453	9.9
220.08765	2.5
221.06006	7.7
221.09612	7.6
222.10362	3.4
229.15878	20.3
231.08086	2.3
233.09622	7.6
234.10419	39.9
235.07559	48.5
235.11101	3.0
236.08221	7.5
237.09067	2.7
247.13170	3.3
247.16960	52.6
249.09116	35.1
250.09914	45.6
265.12180	85.5
265.14514	26.4
265.18018	50.7
278.29056	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	265.155
Annotation	Feruloylputrescine
Peak:m/z	Relative Intensity
53.03965	0.4
55.05519	13.4
56.05032	0.3
57.05821	0.9
67.19152	0.3
69.77448	1.7
72.08164	100.0
73.08498	0.6
74.37962	0.4
82.58514	0.3
86.09734	0.5
89.03930	1.2
89.10808	1.5
91.96413	0.3
101.20541	0.4
103.05514	0.5
115.08790	0.4
117.03382	5.5
117.85790	0.4
120.08125	12.5
122.07178	1.4
124.55611	0.4
134.03714	0.4
144.89182	0.4
145.02863	15.2
149.06004	2.0
149.18364	0.4
150.32739	0.4
163.03934	0.4
166.08664	10.2
177.05486	26.8
199.92877	0.4
219.15123	0.5
248.12875	2.1
265.15485	5.4
276.60156	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1589
Annotation	12-Demethylmulticaulin
Peak:m/z	Relative Intensity
55.05504	1.3
62.96191	0.4
67.05488	1.6
69.03430	20.2
69.07061	1.1
70.02646	2.0
70.03744	0.5
79.05500	2.9
81.04514	0.5
81.07074	2.1
85.06529	0.8
85.97880	0.4
91.05492	3.2
93.07038	1.9
95.04964	0.9
95.08618	0.6
97.06528	0.5
105.07036	4.0
107.04946	1.5
107.08572	2.1
115.05451	1.0
117.07015	1.0
119.08572	1.8
121.06516	5.4
122.07154	3.3
125.05995	0.8
128.06244	3.7
129.07069	2.5
131.08580	2.0
133.06490	0.7
133.10158	0.7
135.08069	5.2
141.07030	1.0
142.07776	1.8
143.07510	0.6
143.08569	9.2
144.04750	1.1
145.06502	1.2
145.10150	1.4
147.08037	1.2
152.06232	0.4
153.07010	0.7
155.08545	2.8
157.06517	1.2
157.10120	4.2
159.08095	3.1
164.07048	0.4
165.07014	3.7
166.07794	1.6
167.08560	1.9
168.05569	0.4
169.10144	2.4
169.88625	0.4
171.08055	31.4
173.09676	0.8
178.07860	0.7
179.08589	3.0
180.09351	3.1
181.06560	1.0
181.10095	5.0
182.07289	0.8
182.10931	0.6
183.08078	4.7
183.11679	1.8
185.09621	1.4
190.07707	0.7
191.08499	2.2
193.10150	2.1
194.07289	3.6
194.10832	0.5
195.08046	5.1
195.11688	5.0
196.08838	1.4
196.12428	1.5
197.09656	4.8
197.13251	1.3
200.10828	0.4
203.08571	1.0
204.09271	0.8
205.10146	2.0
206.10834	0.5
207.08081	1.2
207.11781	1.4
208.08842	3.6
208.12396	0.7
209.09627	19.6
209.13260	1.5
210.10432	3.1
211.11137	0.9
217.10153	1.5
219.08006	0.5
219.11751	1.9
221.09598	1.9
221.13286	1.5
222.10373	2.2
222.13992	1.0
223.11201	10.0
223.14651	2.0
224.11948	0.7
232.12398	1.3
233.13252	1.3
235.07623	0.9
235.11174	4.7
235.14804	0.8
236.11961	2.5
237.12827	2.8
237.16360	2.3
247.14835	3.4
249.09178	0.5
249.12630	1.0
250.09946	0.9
250.13457	5.9
250.17271	0.5
265.15891	100.0
266.16260	2.8
270.11359	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1549
Annotation	Feruloylputrescine
Peak:m/z	Relative Intensity
57.48754	0.3
60.50047	0.3
63.02346	0.5
70.06593	0.4
70.55265	0.4
70.55643	1.0
72.08160	17.6
89.03922	5.4
89.10798	12.1
93.28332	0.3
103.05505	0.6
106.04195	0.4
115.08723	1.8
117.03384	22.4
122.07179	0.5
134.03638	1.4
135.04411	0.7
145.02855	55.1
146.03189	0.5
149.05995	6.4
152.07146	0.4
163.03883	0.6
170.07585	0.4
177.05479	100.0
178.05867	0.8
184.34248	0.3
248.12914	4.7
265.15500	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	265.1438
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
53.03948	5.8
55.01874	4.9
55.05518	5.0
56.96561	1.2
57.03426	4.6
59.04999	0.9
65.03922	3.7
67.05510	35.8
69.07059	3.9
70.06571	2.7
71.04973	2.1
71.49428	1.3
72.08164	10.9
77.03925	1.1
79.05500	39.8
81.03427	9.8
81.04524	4.8
81.06607	1.4
81.07062	24.4
83.04989	4.4
84.04500	1.0
84.08129	3.4
85.06528	3.3
86.09686	2.7
91.05487	26.7
93.03393	0.9
93.07053	34.0
95.01325	3.1
95.04966	12.8
95.05999	0.9
95.08605	9.2
97.06541	7.4
103.05447	2.5
105.07032	11.3
107.04964	28.0
107.08607	16.2
109.06495	3.3
109.10175	1.3
109.39455	0.9
112.11209	0.9
115.05458	2.0
117.03357	1.3
117.07018	15.0
119.08582	10.2
120.08126	7.6
121.06485	2.8
121.10156	21.1
122.07162	23.8
123.04419	2.7
123.08088	2.2
125.06000	1.7
128.06163	1.0
129.05554	1.2
129.06973	3.6
130.07764	2.6
131.04901	1.9
131.08580	11.0
133.10056	1.1
133.87827	1.0
135.08035	3.0
135.11707	18.4
136.06184	1.3
143.08588	1.1
144.04768	8.3
145.02850	3.4
145.06512	5.6
145.10132	27.5
147.08058	3.6
149.09648	7.4
155.08607	5.3
159.08047	1.4
163.07645	0.9
163.11192	24.9
173.09628	20.2
173.13181	0.9
177.05518	4.5
181.12242	2.4
186.53731	0.9
191.10670	12.7
209.11711	3.1
219.13815	1.4
234.17029	1.0
235.07452	1.0
265.14355	100.0
266.14526	2.0
285.57959	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1437
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
53.03947	7.6
55.01679	0.6
55.01876	6.9
55.05308	0.6
55.05515	6.1
57.03438	3.8
65.03957	3.3
67.05506	41.2
69.03411	1.1
69.07066	6.7
70.06590	1.9
71.04983	2.7
71.36732	0.6
71.50037	1.0
72.08153	5.2
79.05495	45.9
80.05014	1.1
81.03423	11.9
81.04543	3.1
81.06597	1.4
81.07060	25.6
83.04987	6.0
83.08589	1.2
84.08130	1.9
85.06528	2.9
86.09698	1.6
91.05484	25.3
93.03371	1.2
93.07047	33.8
95.01330	4.0
95.04970	13.2
95.08620	9.2
97.06532	8.3
101.06037	0.8
103.05463	1.1
105.04534	1.6
105.07027	9.9
107.04962	29.0
107.08598	15.1
109.06532	4.3
109.10189	1.1
111.02624	0.7
111.04431	1.7
111.08067	0.9
115.05461	1.2
117.07029	14.7
119.08585	12.4
120.08134	3.4
121.06529	3.5
121.10147	29.4
122.07156	22.1
123.04411	2.1
123.08068	2.9
125.05993	1.9
129.05457	0.9
129.07011	4.9
129.10297	0.8
130.07779	2.3
131.04955	3.7
131.08562	12.0
133.06502	0.8
133.10117	2.1
135.08055	3.7
135.11702	19.6
137.09607	1.6
143.08525	1.6
144.04776	5.4
145.02901	3.3
145.06488	6.1
145.10127	29.3
147.08032	4.1
147.11594	0.8
148.04735	0.9
149.09612	7.7
153.06935	1.2
155.05963	0.8
155.08569	6.5
158.07262	0.9
159.11798	0.9
163.11183	27.0
173.09628	20.7
177.05444	3.5
177.08969	1.0
181.08653	0.9
181.12186	2.2
191.10658	13.5
209.11743	3.2
227.12840	1.0
247.13306	0.8
247.17021	1.1
250.09904	0.8
265.14349	100.0
266.14517	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	265.1437
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
51.02364	0.7
53.03950	7.2
55.01883	6.3
55.05511	4.2
57.03444	3.6
57.24348	0.7
57.96572	0.7
58.06561	0.6
59.05002	1.0
60.05628	0.7
65.03940	3.1
67.05512	36.3
67.68514	0.7
68.08018	0.6
69.03436	0.8
69.07075	5.6
70.06569	1.2
71.04994	1.9
71.50094	1.1
72.08163	5.9
73.08518	0.7
77.03925	1.1
79.05499	45.2
81.03423	12.4
81.04532	2.2
81.06591	1.3
81.07060	24.0
81.07533	1.4
83.04626	0.6
83.04987	5.7
83.08617	1.0
84.08154	1.4
85.06537	3.6
86.09704	0.8
91.05487	24.1
91.77554	0.7
93.03399	1.8
93.07052	33.0
93.07646	1.6
95.01324	4.4
95.04971	13.1
95.08617	7.0
97.06534	7.1
99.04453	1.1
103.05476	1.7
105.07037	11.2
107.04961	29.7
107.08596	14.7
108.87754	0.8
109.06534	3.6
109.10154	1.6
111.04429	2.2
115.05451	1.1
117.03361	1.0
117.07029	11.9
119.08589	11.2
120.07267	0.7
120.08112	2.4
121.06523	4.1
121.07264	0.8
121.10158	25.7
121.11040	1.4
122.07162	17.0
123.04408	2.0
123.08061	1.3
125.05989	0.8
128.06259	0.9
129.05460	1.1
129.07028	4.1
130.07758	2.2
131.04942	3.5
131.08585	11.2
133.06480	0.8
133.10126	2.0
135.08028	2.0
135.10706	1.3
135.11705	19.7
137.09604	1.1
143.08530	1.3
144.04759	5.9
145.02798	1.4
145.06487	6.5
145.10135	28.8
147.08032	3.1
147.11702	0.9
149.09654	7.8
153.07016	0.8
155.08575	7.3
159.07983	0.9
163.11194	22.0
173.09654	15.8
173.13303	1.1
177.05478	2.7
181.12244	1.4
191.10669	12.6
193.08542	0.8
209.11746	3.0
219.13771	0.9
227.12770	1.6
265.14371	100.0
266.14676	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	265.1436
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
53.03953	5.6
55.01870	3.2
55.05518	14.2
55.32277	2.3
65.03935	8.3
66.62064	2.0
67.05505	28.7
69.03435	31.6
69.07072	6.4
70.06591	7.6
71.04990	7.1
71.49785	3.2
72.08164	44.4
79.05491	24.9
79.28720	2.5
81.04550	14.2
81.07069	19.9
83.04984	7.8
84.08138	8.8
86.09700	6.4
89.03914	7.3
91.05487	53.2
93.03427	7.1
93.07044	36.7
95.04968	33.9
95.08607	15.0
97.02878	3.6
97.06521	7.1
99.04441	5.2
103.05453	6.6
105.07042	48.0
107.04954	7.7
107.08595	18.0
109.06524	22.6
109.10159	4.6
111.04446	24.5
111.08088	6.4
113.06016	13.3
115.05460	5.9
116.06205	2.8
117.03384	16.5
117.07003	20.0
119.04967	15.0
119.08588	74.0
120.08097	14.3
121.02856	13.3
121.06520	38.0
121.10149	14.1
122.07161	100.0
123.08074	22.5
125.06005	2.6
128.06244	6.4
129.07002	11.9
130.07768	4.7
131.08577	33.6
133.06493	10.4
133.10165	16.4
135.08058	63.9
135.11768	2.7
136.06169	14.6
137.09651	14.8
139.03893	6.6
139.07550	5.8
140.26357	2.4
141.06989	7.9
142.07776	10.8
143.08562	10.6
144.04791	24.8
144.05754	3.0
144.09372	7.4
145.02855	28.8
145.06454	12.0
145.10127	24.8
146.07291	3.7
147.04436	9.0
147.08060	33.7
147.11703	9.5
149.05974	5.9
149.09634	9.4
151.07568	6.7
153.07005	4.2
154.07767	3.8
155.08553	8.1
156.09352	6.9
157.06477	4.2
157.10150	15.1
158.07283	18.7
158.10977	2.7
159.08072	31.0
159.11678	25.8
160.08902	3.0
161.02327	2.9
161.05991	2.6
161.09647	31.8
161.13240	5.6
163.07574	3.5
163.11194	4.1
165.09123	22.1
166.08633	3.1
168.09300	6.0
169.10164	4.4
171.08076	5.2
171.11693	8.9
172.08817	16.5
173.05966	3.7
173.09697	18.0
173.13269	14.5
175.03908	19.0
175.07556	50.3
175.11169	26.7
176.04686	4.8
177.05478	32.2
177.09052	3.3
183.11722	9.8
185.09563	5.5
187.07616	4.1
187.11171	30.6
189.09094	8.7
189.12747	9.4
191.10716	2.8
193.08632	18.6
193.10161	3.9
196.08826	6.6
199.11177	9.9
201.05466	6.8
201.12720	27.7
203.02263	2.4
203.10703	30.9
205.12289	7.2
211.11200	16.7
217.12337	14.9
219.06567	15.3
219.13791	9.5
229.12279	22.5
235.13283	6.7
247.13326	36.8
265.11652	5.0
265.14328	47.7
266.16077	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	265.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	11.6
55.01877	6.4
55.05509	4.1
57.03435	3.3
58.45814	1.0
65.03942	2.5
67.05505	38.0
69.03450	1.2
69.07073	16.2
69.37227	9.3
69.37531	1.0
71.01346	1.4
71.04992	2.6
73.06561	1.7
77.03954	1.5
79.05496	40.1
81.03420	18.4
81.07059	27.1
83.04985	12.9
83.08627	1.1
85.06557	2.4
91.05483	23.4
93.07050	27.1
95.01330	7.7
95.04970	15.5
95.08620	7.7
97.02901	1.0
97.06523	9.2
103.05508	1.4
105.07044	8.7
107.04966	37.8
107.08610	14.9
109.06542	3.4
109.10166	1.9
111.04471	2.1
111.08038	1.1
115.05445	2.1
115.07523	1.2
117.07034	13.6
119.08604	10.9
121.06541	2.1
121.10151	20.7
122.07166	9.8
123.04401	2.0
123.11717	1.1
125.06015	3.4
129.07008	3.6
130.07796	2.0
131.04930	4.0
131.08554	9.1
132.05731	1.2
133.10104	2.7
135.08029	1.7
135.11685	17.6
143.07037	4.4
143.08565	2.9
144.04791	1.9
145.06483	8.9
145.10130	24.2
147.08046	2.1
147.11635	1.1
149.09602	5.6
151.17322	1.0
153.07069	1.4
155.08536	10.5
159.08022	1.2
161.08034	1.5
163.11191	18.1
165.06982	2.0
173.09627	23.5
178.07732	5.0
179.08565	18.1
181.12335	2.5
189.06990	7.5
190.07755	5.4
191.08586	20.1
191.10690	8.1
193.06570	1.8
193.10159	2.6
194.10878	1.5
201.16531	1.2
202.07742	3.3
203.08559	12.0
204.09395	2.3
205.06462	1.7
205.10170	5.3
206.07339	2.7
207.08078	18.6
209.11761	4.8
215.08730	1.4
217.06488	5.3
218.07317	8.6
219.06024	1.5
219.08060	20.1
220.08989	1.2
221.06062	8.1
221.09595	11.3
222.06647	1.6
222.10387	2.2
227.12819	2.1
231.08134	1.3
233.09621	8.9
234.10423	44.9
235.07547	62.6
235.11186	2.2
236.08354	8.1
237.09012	2.6
247.16972	2.2
249.09067	11.1
250.09903	60.6
250.42546	1.1
251.10266	1.6
265.12183	100.0
265.14444	92.8
265.18945	2.8
266.12448	2.2
266.14951	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	265.1437
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
51.02375	1.4
53.03953	10.9
55.01871	4.7
55.05521	4.3
57.03433	3.0
60.50101	0.8
60.53087	0.7
65.03949	4.0
67.05512	43.3
69.03426	1.7
69.07077	6.0
70.27713	2.9
70.99703	0.7
71.04988	2.0
72.08134	1.1
74.99789	0.7
79.05502	41.0
81.03429	17.6
81.04544	1.7
81.07066	31.5
83.04986	6.8
84.05450	1.0
84.47581	0.9
85.02897	1.0
85.06554	2.2
91.05488	22.3
93.03400	0.9
93.07055	28.5
95.01339	7.6
95.04985	13.8
95.08607	7.7
97.06538	6.8
105.04553	0.8
105.07045	9.9
106.67422	0.7
107.04970	34.6
107.08595	13.9
109.01611	1.0
109.02848	0.8
109.06540	5.6
109.10207	1.4
111.04444	1.6
115.05492	1.3
117.07041	13.5
119.08592	10.8
121.06517	4.2
121.10156	20.7
122.07173	12.4
123.04424	2.7
123.08130	1.0
125.05998	1.3
129.07033	3.3
130.07800	2.6
131.04938	2.8
131.08577	7.7
133.10150	1.6
135.08092	3.5
135.11711	15.6
137.09628	1.2
143.08527	1.5
144.04770	3.2
145.06496	7.0
145.10139	25.2
145.11299	1.3
147.08066	2.3
149.09631	5.4
153.06953	0.9
155.08574	10.0
158.07306	1.2
159.11717	1.1
163.11186	19.7
165.07062	1.6
173.08105	1.3
173.09636	27.0
177.05473	1.0
178.07787	1.6
179.08591	4.6
181.12262	2.8
189.06973	2.3
190.07814	4.0
191.08571	9.9
191.10684	8.4
192.09221	0.9
193.10150	1.1
195.11719	0.7
202.07803	1.4
203.08600	4.5
203.83107	0.7
204.09242	1.1
205.06505	1.5
205.10080	1.5
207.08054	5.1
209.11751	3.3
209.13411	0.9
217.06505	2.5
218.07195	4.5
219.08073	10.3
221.05942	2.3
221.09612	5.1
222.06581	1.1
222.10469	1.8
227.12907	1.3
233.09642	2.7
234.10416	16.1
235.07556	22.6
235.11014	1.6
236.08299	2.7
247.16783	1.1
249.09128	8.5
250.09927	23.6
265.12122	30.1
265.14401	100.0
266.14896	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	265.1435
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
52.86959	1.0
53.03756	0.9
53.03954	11.0
55.01877	6.3
55.05513	6.1
57.03429	3.0
61.25171	0.9
65.03930	1.7
67.05508	44.9
69.03429	1.1
69.06725	1.5
69.07072	16.2
69.37479	2.5
69.37888	5.7
70.55629	1.0
71.01333	1.1
71.04978	2.6
73.06568	2.1
79.05499	46.2
81.03427	18.7
81.04530	1.8
81.07056	31.3
83.04984	14.6
85.02914	1.2
85.06534	3.2
91.05482	22.0
93.03403	1.5
93.07046	29.0
95.01342	7.7
95.04972	16.2
95.08607	6.5
97.06538	11.4
103.05471	1.1
105.07055	9.2
107.04963	38.4
107.08604	19.1
109.06534	5.0
109.10152	2.4
111.04417	1.7
113.06012	1.4
115.05479	1.6
117.07026	16.9
119.08579	12.2
121.06519	2.8
121.10153	23.8
122.07154	10.3
123.04443	3.0
123.08119	1.2
123.11735	1.0
125.05981	3.5
125.09616	1.3
128.06235	1.7
129.07037	4.8
130.07793	1.9
131.04916	2.9
131.08572	13.1
133.10172	1.8
135.08066	2.9
135.11714	17.8
143.07031	8.4
143.08546	2.0
144.04765	3.2
144.05772	1.3
145.06490	9.6
145.10136	31.0
147.08098	2.4
147.11678	1.1
149.09627	6.3
153.07021	1.9
155.08559	9.6
161.08226	1.1
163.11177	19.9
165.07068	1.9
173.09631	25.0
174.75676	1.1
177.05424	1.7
178.07751	5.5
179.08577	15.3
181.12297	3.5
184.05020	1.0
189.06998	8.0
190.07813	7.6
191.08583	22.0
191.10674	9.9
192.09363	1.2
193.06505	2.1
193.10168	4.0
201.02852	1.1
202.07745	4.0
203.08546	10.8
204.09253	2.6
205.06413	2.3
205.10103	5.5
206.07251	1.8
207.08043	16.6
209.09912	1.1
209.11656	4.6
215.08546	1.6
217.06464	4.0
218.07257	10.6
219.08064	20.1
220.08839	1.3
221.06110	7.0
221.09607	10.6
222.10490	2.5
229.15889	1.3
231.08057	1.9
232.08853	2.2
233.09685	7.1
234.10411	46.6
235.07549	56.8
235.11217	2.6
236.08344	8.9
237.09094	1.5
247.16948	2.9
249.09105	12.5
250.09903	60.4
254.09514	1.1
265.12161	87.5
265.14426	100.0
266.12506	2.4
266.14917	1.3
280.78024	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1224
Annotation	Dehydrojuncusol
Peak:m/z	Relative Intensity
57.36944	0.4
59.32454	0.4
70.40503	1.4
73.17533	0.4
84.23736	0.3
89.23589	0.4
93.07683	0.4
122.65044	0.4
128.06227	0.8
135.55025	0.4
154.00607	0.3
165.06956	2.2
177.07053	0.4
178.07785	5.0
179.08554	13.1
189.06982	5.6
190.07780	6.8
191.08554	18.5
192.09271	1.3
193.06488	1.9
193.10133	2.1
194.07370	0.5
194.10791	0.4
195.08035	0.5
195.27963	0.4
202.07805	3.0
203.08572	9.8
204.09325	2.4
205.06509	2.6
205.10143	4.2
206.07266	1.8
207.08055	15.2
208.08755	0.9
215.08568	1.0
217.06476	4.9
218.07288	9.9
219.08057	19.1
220.08794	1.5
221.06041	8.5
221.09584	8.9
222.06685	1.4
222.10387	3.1
229.07713	0.7
231.08049	2.0
232.08842	0.7
233.09601	8.8
233.11775	0.7
234.10402	44.3
235.07544	56.7
235.10883	2.0
236.08298	9.3
237.09074	1.6
249.09122	12.1
249.11076	0.3
250.09895	63.2
251.10356	0.5
265.12241	100.0
266.12466	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78698	0.4
55.01871	0.4
57.64198	0.4
68.22223	0.4
69.88200	0.4
70.40430	1.1
90.38128	0.4
118.95471	0.4
128.06259	0.7
138.15347	0.4
153.27655	0.4
165.06999	2.2
178.07791	5.1
179.08568	16.0
189.06970	5.4
189.08322	0.5
190.07770	6.0
191.08574	19.1
192.09299	0.5
193.06523	1.5
193.10172	2.5
194.07324	0.6
202.07806	4.1
203.08583	10.1
204.09337	1.8
205.06584	2.5
205.10184	4.4
206.07230	1.7
207.08073	15.3
214.02493	0.5
215.08604	1.0
217.06491	5.5
218.07283	9.2
219.08066	18.7
220.08842	1.4
221.06058	6.5
221.09583	9.6
222.06763	1.2
222.10394	3.2
231.08038	2.2
232.08772	0.9
233.09598	8.5
234.06946	0.6
234.10413	43.0
235.07552	54.6
235.11226	2.0
236.08282	6.3
237.09065	1.5
249.09123	7.2
250.09906	52.9
251.07169	0.7
251.09978	0.5
265.12253	100.0
266.12628	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2372
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
52.33891	4.4
53.03926	3.7
55.01881	4.4
55.05505	16.3
57.07074	14.6
67.05509	43.8
69.07074	20.1
71.05008	4.4
71.08614	6.5
79.05495	22.6
81.07060	94.8
81.46091	3.7
83.04999	4.1
83.08633	18.2
85.06512	5.8
91.05501	18.2
93.07057	38.5
95.04950	4.4
95.08613	100.0
97.06563	4.8
97.10161	12.5
98.20688	7.1
105.07030	20.4
107.08610	52.6
109.06544	4.7
109.10164	71.7
113.09630	9.1
119.08590	28.5
121.10154	38.9
123.11693	41.4
125.09695	4.7
133.10156	24.6
135.11694	34.3
137.13271	34.2
139.11191	5.0
145.38409	3.9
147.11684	17.6
149.13271	38.2
151.14812	5.1
161.13217	18.6
163.14861	20.4
175.14835	19.1
178.04012	4.0
189.16412	22.1
203.17975	8.8
205.19528	16.4
233.13155	4.8
245.22673	63.2
255.28714	3.4
263.20288	8.1
263.23740	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.8
56.05033	1.9
56.96569	100.0
67.05502	1.0
67.98168	0.9
69.03416	1.5
69.96055	3.8
70.06596	5.3
70.36273	0.8
71.95261	2.0
72.08154	7.2
72.96059	6.7
81.04534	2.1
82.91369	0.8
83.97627	4.1
84.04498	2.4
84.08157	7.0
85.08482	1.1
86.09718	1.7
91.05476	1.6
98.97593	19.0
102.05565	1.0
110.07143	2.1
112.11253	1.8
116.98635	6.6
118.08685	1.7
120.08123	3.6
121.08446	1.9
122.07141	8.1
134.99648	1.7
144.02034	1.2
144.04787	3.1
144.96844	2.3
145.04993	0.9
147.04404	0.8
149.02773	1.5
162.03079	2.3
163.00636	1.7
165.02266	2.4
167.03807	1.0
170.15541	0.8
176.03839	13.5
176.10779	1.0
177.02223	0.8
177.05531	1.1
178.05424	9.8
179.00142	1.2
181.01764	1.8
183.03323	6.6
186.02176	1.0
190.01781	3.3
192.03384	3.2
194.04909	5.6
196.06454	5.1
197.01289	2.3
201.04340	4.2
204.03287	10.3
208.02821	9.5
210.04405	1.9
222.04395	77.0
223.01462	1.0
226.03906	3.7
240.05457	52.0
245.05975	1.8
255.63438	1.0
264.05484	15.4
264.12527	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	263.2371
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03931	1.3
55.01873	1.1
55.05515	16.7
57.03427	1.8
57.07079	14.3
65.03945	2.6
67.05508	92.3
69.03426	1.0
69.07069	17.8
69.51870	2.2
69.52278	5.0
71.04997	1.5
71.08630	7.0
79.05499	26.4
81.07059	100.0
83.04970	2.1
83.08621	16.3
85.06538	3.7
85.10173	3.4
91.05484	20.7
93.07044	26.5
94.08677	1.0
95.04984	2.3
95.08611	94.7
96.08939	1.4
97.06526	8.5
97.10162	6.5
99.08099	6.1
105.06412	1.1
105.07039	14.8
107.08598	16.2
109.06521	2.7
109.10162	49.5
111.08066	5.1
111.11744	1.1
113.09628	3.5
117.07009	1.5
119.08583	15.3
121.06429	0.9
121.09320	1.7
121.10152	16.8
123.08051	2.9
123.11700	18.0
125.09634	1.4
127.11172	2.9
130.91484	0.8
133.10141	15.4
135.11691	10.7
137.09596	2.9
137.13252	7.9
141.12743	1.5
143.08539	1.3
147.11697	9.9
149.13254	7.6
149.58246	0.9
151.11160	1.3
151.14833	9.6
155.14302	1.4
157.10181	1.3
161.13252	10.5
163.14822	7.7
165.16411	8.3
175.14835	8.4
177.16342	2.1
178.24161	0.9
179.17970	2.9
181.15926	1.1
189.16328	4.3
193.15987	1.3
203.18013	1.8
205.09918	1.6
207.11646	1.8
210.96877	1.2
217.15926	2.8
219.21085	1.6
221.13216	1.8
233.13158	2.5
245.22670	32.7
248.15608	1.2
263.14294	4.4
263.18179	5.8
263.23703	71.1
264.23923	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2372
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03935	2.4
55.01865	1.2
55.05276	1.3
55.05515	17.6
57.03427	2.0
57.06837	1.0
57.07080	14.3
65.03932	3.7
66.83600	0.8
67.05510	90.2
67.07301	0.9
69.07073	20.0
71.04993	1.4
71.08640	6.3
72.84534	1.0
79.05496	26.9
81.07064	100.0
83.04975	1.9
83.08628	17.4
85.06541	5.8
85.10181	3.4
91.05485	19.4
93.06484	1.8
93.07047	26.9
95.04945	2.2
95.08614	93.2
97.06535	9.8
97.10182	7.0
99.08113	7.5
105.07042	14.0
107.08606	16.2
109.06528	3.1
109.10165	48.3
109.10768	0.7
109.10938	1.4
111.08056	4.4
111.11718	2.0
112.07391	0.9
113.09632	3.4
117.07003	1.6
119.08587	15.1
119.74246	0.8
121.10155	18.2
123.08072	3.7
123.11729	18.9
123.55842	0.9
125.09656	1.4
127.11203	1.7
133.09151	1.1
133.10136	15.9
135.11694	11.3
137.09598	3.1
137.13254	8.5
139.11128	0.9
141.12733	1.4
147.11694	12.6
149.13287	8.3
151.11130	1.4
151.14835	8.7
155.14305	1.7
157.10048	0.9
161.13263	12.4
163.14819	9.0
165.12729	1.8
165.16399	11.3
175.14851	7.8
177.16357	2.7
179.17946	4.2
181.15829	1.8
189.16394	3.5
203.18048	1.3
211.71071	1.0
217.19342	1.8
245.22662	32.2
250.03979	0.9
263.14120	1.4
263.20218	4.7
263.23709	66.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2372
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
50.91250	0.9
53.03928	1.8
55.01858	1.7
55.05274	1.1
55.05516	15.8
57.03440	1.7
57.07085	9.8
60.51967	0.8
65.03939	2.7
67.05511	88.2
69.06741	1.0
69.07079	14.7
71.04986	2.3
71.08641	7.2
79.05502	23.6
81.07064	100.0
82.07377	0.8
83.04999	1.3
83.08624	14.9
85.06538	3.4
85.10178	3.3
91.05489	19.0
93.06488	1.7
93.07054	25.8
95.04942	2.0
95.08617	83.7
97.06545	6.7
97.10191	5.9
99.08112	4.7
104.16504	0.8
105.07045	12.5
107.08603	13.8
109.06528	1.4
109.10168	42.2
111.08089	5.3
111.11678	1.0
113.09657	3.6
119.08598	11.6
121.10160	16.6
122.56959	0.8
123.08077	2.0
123.11720	17.9
125.09644	1.9
127.11225	1.8
131.08548	0.8
132.90067	1.0
133.10149	12.5
135.11725	11.2
137.09630	2.5
137.13281	6.7
141.12729	1.3
147.11710	10.2
149.13249	8.1
151.11195	0.9
151.14839	6.7
155.14311	1.3
161.13281	11.5
163.14818	6.6
165.16434	8.6
167.14282	1.5
175.14877	6.0
177.16399	2.1
179.17973	2.9
181.15788	1.5
189.16406	3.0
198.49789	0.9
203.17899	0.9
215.26523	1.0
229.58482	0.9
245.22675	28.4
263.23721	55.1
264.24249	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03939	1.2
55.01864	1.2
55.05268	1.4
55.05511	13.4
57.03431	1.6
57.07081	10.1
60.75156	0.8
65.03941	2.3
67.05508	80.9
69.06689	0.8
69.07071	15.8
69.27007	3.5
69.27440	3.5
71.04994	1.3
71.08638	6.7
79.05496	25.0
81.07059	100.0
82.07368	1.0
83.04964	1.7
83.08627	12.8
84.94108	0.8
85.06543	3.8
85.10170	2.9
85.40160	0.9
91.05482	17.7
93.06484	1.7
93.07047	25.6
94.27670	0.7
95.04960	2.2
95.08610	83.4
97.06525	7.8
97.10175	7.0
98.20678	1.6
99.08095	4.7
105.04507	1.0
105.07038	11.1
107.08589	14.0
109.06538	2.0
109.10161	43.0
111.08076	5.3
111.11770	1.0
113.09656	2.0
117.07076	0.9
119.08590	12.6
121.10151	15.9
123.08101	4.1
123.11716	19.8
124.73547	0.9
127.11168	1.1
133.09137	0.9
133.10136	15.8
135.11708	8.6
137.09587	2.9
137.13281	7.4
141.12767	1.2
145.10139	0.9
147.11700	9.9
149.13271	8.6
151.11186	1.8
151.14816	7.8
161.13258	9.5
163.14810	7.7
165.12819	1.0
165.16388	8.5
167.14391	0.8
175.14809	6.5
177.16344	2.3
179.17961	3.1
189.16347	3.1
203.18001	1.7
217.19493	1.3
245.22655	26.4
248.12140	1.4
250.46730	0.7
254.42606	0.8
263.14731	6.9
263.23724	61.3
264.24036	1.5
267.03821	0.9
282.95694	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2009
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
51.48352	1.7
53.03940	6.8
55.01875	4.5
55.05517	18.8
65.03937	2.6
67.05512	39.6
69.03428	2.4
69.07072	19.1
69.67327	1.8
70.06577	2.3
71.04995	6.4
71.49905	2.2
72.08142	1.9
79.05499	83.6
81.03419	2.6
81.07060	49.6
83.04979	4.2
83.08626	9.0
85.06558	4.9
91.05488	34.3
93.07054	100.0
95.04972	7.7
95.08613	37.5
97.06558	3.2
97.10190	5.4
105.07045	23.9
107.04959	3.4
107.08605	73.5
107.58666	1.9
108.84526	1.8
109.06505	9.3
109.10168	14.8
117.07063	6.1
119.08593	19.5
121.06515	3.5
121.10153	87.2
123.08097	4.5
123.11764	3.4
127.07573	1.9
129.07018	5.5
131.08525	10.1
133.06561	3.2
133.10156	16.1
135.08083	3.8
135.11699	36.8
137.06000	2.4
137.09645	3.5
143.08586	8.7
145.10150	7.6
147.08092	4.1
147.11674	7.5
149.09621	4.5
149.13284	11.0
151.07516	2.1
155.08459	2.3
156.09378	2.1
157.10146	5.6
159.11726	3.9
161.09639	4.3
161.13280	5.4
163.07558	3.0
163.11186	2.9
163.14827	2.7
171.11720	4.1
175.11238	2.4
181.12248	3.4
185.13213	3.2
189.12907	2.4
193.12315	2.2
199.14882	3.2
207.11816	3.2
207.13789	2.9
217.12317	2.2
219.11725	2.1
221.13425	4.2
227.17929	4.7
235.79408	2.0
245.19043	5.4
248.12068	2.7
263.08298	2.4
263.14212	4.8
263.16806	7.6
263.20145	77.4
263.23129	3.9
263.58609	2.4
281.10709	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2007
Annotation	(Z)-alpha-trans-Bergamotol acetate
Peak:m/z	Relative Intensity
53.03949	7.1
55.01860	3.9
55.05515	20.1
57.07069	5.0
59.04997	2.2
62.24798	1.4
65.03930	1.9
67.05508	47.9
69.03422	1.9
69.07070	27.1
71.04994	2.1
71.30837	1.3
71.51536	1.7
73.06548	3.3
77.03887	1.9
79.05494	79.8
80.05830	2.9
81.03416	1.6
81.07056	58.9
82.07393	1.4
83.05003	2.3
83.08617	13.8
85.06532	5.4
87.08094	1.7
91.05482	40.5
93.07050	100.0
94.07352	2.0
95.04957	6.3
95.08611	45.8
97.06513	4.9
97.10158	2.1
99.08104	2.0
101.06062	2.0
103.05487	1.9
105.07036	37.0
107.08596	57.4
108.08929	1.8
109.06517	4.7
109.10164	19.9
111.08067	2.0
115.07587	2.4
117.07001	6.3
119.08584	32.8
121.06512	4.1
121.10148	45.7
123.08041	4.2
123.11691	6.9
128.06268	1.7
129.07005	5.6
131.08565	8.9
132.08813	1.9
133.10133	36.8
135.08058	4.8
135.11693	50.4
137.09610	3.4
143.08543	6.2
145.10094	8.7
147.08055	4.1
147.11702	34.3
149.09608	6.1
149.13274	15.8
151.11212	2.7
151.14850	2.0
157.10107	6.5
159.11682	6.3
161.09584	5.4
161.13274	6.0
163.11284	2.0
165.12773	1.8
171.11661	10.5
173.13251	1.5
175.11230	4.7
175.14769	3.1
185.13202	4.1
187.14845	5.2
189.12726	4.3
189.16393	20.3
193.05496	1.4
203.14282	3.2
203.17934	6.1
207.13951	1.5
213.16386	17.3
227.46310	1.7
231.17459	21.6
245.22665	2.3
263.14212	2.2
263.18011	2.7
263.20062	51.1
263.23450	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	263.1645
Annotation	3''-Hydroxy-geranylhydroquinone
Peak:m/z	Relative Intensity
53.03939	7.7
55.01878	22.4
55.02126	3.2
55.05520	15.3
57.03426	3.7
62.66449	2.0
65.03927	2.8
67.05515	27.4
67.33176	1.9
69.03413	6.6
69.07076	43.2
70.67725	6.0
71.05003	11.6
73.06545	5.1
75.00109	1.9
77.03940	2.5
79.05500	83.9
81.03418	7.3
81.06603	4.2
81.07063	81.8
83.04990	4.9
83.08620	4.4
85.06533	3.2
90.59148	1.8
91.05486	69.8
91.24762	1.9
93.06484	3.1
93.07053	48.4
94.58321	2.2
95.04968	24.4
95.08613	13.6
97.06552	11.3
103.05466	4.8
104.06264	3.7
105.03384	5.1
105.07035	34.9
107.04978	15.5
107.08595	25.0
109.06528	18.0
109.10151	4.8
111.08083	5.5
113.06026	2.1
115.05469	6.6
116.06223	3.1
117.07033	34.3
117.40510	2.2
119.04984	9.5
119.08592	100.0
121.06513	32.3
121.10155	10.6
123.08047	3.6
125.05994	12.6
128.06197	8.7
129.07011	38.5
131.08594	22.5
132.05708	3.2
133.06517	9.1
133.10136	11.9
135.08055	18.5
135.11674	4.5
137.05936	2.1
141.06975	3.0
142.07765	8.1
143.07036	24.1
143.08551	29.4
145.10132	18.6
147.08072	73.5
147.11652	6.4
149.09618	8.1
155.08528	3.6
157.06483	4.8
157.10138	42.6
159.08055	4.0
159.11682	3.9
161.08211	3.3
161.09598	15.2
167.08507	3.8
168.09325	1.8
170.10976	2.4
171.11690	10.0
173.13266	2.8
175.07593	2.2
175.11183	10.5
175.61108	2.0
177.09119	2.4
181.10156	2.9
183.11707	9.8
184.12489	2.3
185.09598	10.7
185.13269	5.2
189.16350	3.4
195.10194	8.8
199.11122	3.3
199.14836	47.5
203.10692	4.7
203.14320	3.4
208.08394	2.4
217.15865	8.7
221.11731	26.9
227.14331	13.0
245.15361	28.4
263.13544	3.9
263.16422	89.6
263.19635	2.9
263.20068	4.0
263.23944	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	263.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50776	0.1
55.05496	0.4
67.05487	0.3
69.03433	3.0
69.07047	0.2
79.05476	0.5
91.05476	0.4
93.07029	0.4
98.20762	0.6
103.05448	0.2
105.07034	2.8
107.04948	0.7
115.05430	0.3
119.08547	0.2
121.06503	1.9
122.56607	0.2
128.06210	0.6
129.06947	0.2
133.06491	2.1
141.07005	0.2
142.07774	0.2
143.08565	1.4
145.06474	0.2
152.06160	0.2
153.06955	0.4
154.07780	0.4
155.08578	0.9
157.01846	0.2
165.06987	1.3
166.07660	0.2
167.08559	1.2
169.06393	0.2
169.10149	0.6
171.08057	5.5
178.07770	1.9
179.08560	3.6
180.09341	1.7
181.06476	0.3
181.10062	0.9
182.10849	0.2
183.08156	0.2
189.07051	0.2
190.07761	0.3
191.08521	1.0
192.09244	0.8
193.10149	5.1
194.07283	0.6
194.10915	6.7
195.08084	3.5
195.11664	0.6
195.14326	0.2
197.09563	0.4
202.07764	0.5
203.08586	0.7
204.09331	0.5
205.10139	4.7
206.07362	0.2
206.10896	1.4
207.08037	2.2
207.11691	1.6
208.08852	4.6
209.09624	1.4
215.08545	3.5
216.09349	0.6
217.10143	0.8
218.07248	0.5
218.10957	0.3
219.08073	2.6
219.11626	1.4
220.08948	1.0
220.12457	2.5
221.09624	9.9
221.13181	0.7
222.10413	1.5
229.10110	1.0
230.10893	5.3
231.08022	0.4
231.11678	1.7
232.08974	0.4
233.09628	12.2
233.13332	0.4
234.10379	3.5
235.11238	2.0
235.14819	3.7
243.11713	0.3
245.13269	3.8
246.10396	0.9
247.11180	2.7
248.11977	20.7
249.12411	0.4
261.12738	0.6
263.14313	100.0
264.14676	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	263.1492
Annotation	(Z)-3-Hexenyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03944	6.7
55.01880	12.1
55.05511	43.8
55.05719	3.4
57.03428	16.8
59.05005	4.7
61.02929	8.5
62.93596	3.3
67.05518	21.6
68.53585	3.1
69.03426	26.5
69.07083	14.2
69.97791	12.4
70.06590	34.1
71.04607	4.8
71.05000	100.0
72.08173	17.1
73.02924	6.3
79.05486	24.9
81.03432	14.4
81.07060	26.6
83.04992	15.2
83.08630	19.7
84.08163	9.4
85.02908	65.3
85.06566	4.7
86.09729	5.8
87.04501	5.9
91.05486	29.7
93.07052	28.9
95.04984	23.1
95.08606	24.4
97.02916	13.3
97.06545	21.1
98.97578	3.7
99.04477	6.9
99.08109	7.6
103.05505	4.9
105.07033	19.5
107.04925	8.0
107.08572	20.5
109.02936	8.2
109.06550	21.8
109.10175	6.5
111.04475	4.1
111.08102	23.9
113.06094	3.4
116.07117	5.4
117.07030	8.6
119.04971	4.8
119.08612	16.3
120.08144	10.3
121.06509	15.5
121.10174	9.1
123.08105	14.6
125.06088	3.2
125.09701	3.8
127.03941	12.8
127.07597	4.3
129.07039	3.9
129.09166	9.3
131.08580	11.2
133.10141	6.2
135.08066	23.7
137.09641	6.6
139.07574	21.1
141.09116	24.2
142.07814	3.9
143.08589	6.0
145.05019	11.1
145.10138	9.1
147.04427	11.4
147.08047	8.7
149.09645	9.7
151.07535	17.6
153.09119	4.3
157.10143	4.3
158.76790	3.4
161.09673	8.5
163.07568	4.2
163.11089	6.8
165.09218	3.5
167.10730	8.0
169.08615	5.9
173.09583	5.4
177.05466	4.8
179.10733	8.9
191.10828	5.9
197.11812	6.1
199.14598	3.6
203.10750	4.1
209.11829	12.1
227.23445	3.2
245.11711	9.9
245.15712	4.5
263.09851	3.9
263.14050	4.9
263.16388	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	263.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34846	0.3
55.01892	0.3
55.05510	0.7
61.05339	0.3
67.05486	0.7
69.03433	17.7
71.11565	0.8
79.05498	1.1
81.07044	1.0
83.04993	0.3
83.08607	0.5
83.86981	0.3
91.05484	1.2
93.07043	0.7
95.04971	0.7
103.05466	0.3
105.07033	3.7
107.04982	1.2
107.08619	0.3
109.06506	0.4
114.91940	0.3
115.05505	0.4
119.08582	0.4
121.06506	4.6
121.10152	0.4
128.06230	0.9
131.08601	0.4
133.06519	2.0
135.08076	0.6
141.07021	0.5
143.08548	1.8
145.06580	0.3
147.08022	0.4
153.06981	0.6
155.08524	2.4
156.09360	0.4
165.07028	1.1
167.08566	0.9
169.10149	0.5
171.08060	3.7
178.07771	2.2
179.08560	5.3
180.09309	1.5
181.10123	0.8
182.10928	0.4
189.07130	0.6
191.08578	1.4
192.09369	1.8
193.10141	6.3
194.07310	0.6
194.10921	10.7
195.08076	1.8
195.11699	0.8
202.07770	0.7
203.08589	1.2
204.09407	1.2
205.10156	4.1
206.07321	0.6
206.10957	1.3
207.08086	2.5
207.11716	3.1
208.08878	3.3
209.09610	0.9
215.08589	4.6
216.09280	1.4
217.10083	1.2
218.07277	0.5
218.10835	0.7
219.08098	3.4
219.11714	2.3
220.08813	1.1
220.12514	2.1
221.07480	0.6
221.09633	12.8
221.12949	1.7
222.10368	1.4
222.14034	0.8
229.10155	1.4
230.10910	9.2
231.11612	1.6
232.08751	0.7
233.09644	13.1
233.13327	0.9
234.10416	4.6
235.11180	2.7
235.14871	4.8
245.13293	6.9
246.10391	0.8
247.11234	2.5
248.11975	20.7
249.12569	0.5
261.12680	0.6
263.14322	100.0
264.14728	1.9
272.93454	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1391
Annotation	L-phenylalanyl-L-proline
Peak:m/z	Relative Intensity
53.75510	0.4
55.05521	3.6
56.05044	0.6
56.05840	1.9
58.99596	2.2
59.99927	0.6
67.05501	0.7
68.77639	0.4
69.03428	0.6
69.66393	2.3
70.06599	41.7
72.08173	3.5
76.04005	0.5
79.67470	0.4
83.08632	1.6
84.04526	0.9
84.08155	2.1
84.08958	1.3
86.09710	2.1
86.99062	1.7
88.02215	0.5
91.05486	1.9
93.07046	2.7
97.06496	0.6
98.06059	0.6
103.05473	7.9
103.06150	0.5
104.05322	0.5
110.07124	0.5
112.11266	0.8
113.06002	0.5
114.05558	0.6
116.01691	4.1
116.07102	76.8
117.02003	1.9
119.04961	0.6
120.08115	100.0
121.08434	1.4
129.10329	0.5
131.04890	0.5
136.07605	1.0
137.06171	0.4
144.01149	1.9
145.01491	1.1
145.06453	0.6
147.04370	0.5
162.02220	2.9
163.02643	2.5
163.03801	0.7
245.12891	0.7
246.11298	1.4
254.62402	0.5
263.13992	10.7
263.16574	0.8
283.87994	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.05506	2.9
56.05034	0.6
57.07085	3.2
58.06607	5.7
67.05505	5.2
68.21301	0.6
69.07061	2.5
70.06570	1.3
71.08606	0.9
71.30456	0.6
71.50889	0.7
77.19638	0.5
79.05505	4.2
80.05010	2.3
81.05786	2.1
81.07062	5.9
82.06588	3.4
83.08607	1.0
83.33956	0.8
91.05486	6.1
93.07036	4.7
94.06576	16.3
95.07375	5.3
95.08598	2.5
96.08147	3.2
105.07046	6.1
107.07354	0.6
107.08588	1.8
108.08147	3.2
109.10160	1.4
113.47960	0.6
119.08576	3.6
121.10155	1.5
122.09659	1.8
129.04482	0.6
133.10141	1.8
135.11684	0.7
136.11220	1.1
137.08208	0.8
138.66058	0.6
140.72189	0.6
147.11716	1.3
147.37589	0.6
161.08260	1.0
179.09245	0.8
179.64621	0.5
181.67325	0.6
210.69739	0.6
233.19069	0.7
234.22125	0.9
242.83185	0.6
245.22755	1.0
262.13916	1.2
262.18060	11.4
262.25323	100.0
263.25562	1.0
280.79962	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1804
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
55.05512	1.5
56.96562	2.2
57.07074	1.0
59.04996	0.5
61.02930	0.7
67.05494	1.6
69.03438	0.8
69.07067	2.1
70.06604	3.4
71.08638	0.7
71.49374	0.7
72.08159	1.2
79.05495	2.8
79.68549	0.5
81.07061	4.9
84.08138	2.1
85.02917	0.6
86.06075	0.6
86.09698	1.9
87.04477	25.8
88.07639	2.7
91.05476	2.2
93.07043	3.1
94.07387	0.5
95.04965	0.8
95.08601	1.7
97.02879	0.7
98.97591	11.4
103.05531	0.6
105.07036	2.6
107.05007	0.6
107.08592	2.9
109.10160	1.6
110.97562	0.9
114.09173	0.9
116.98620	5.5
117.07033	0.7
117.17622	0.5
118.06557	13.7
119.07324	0.5
119.08575	1.5
119.91020	0.5
120.08128	1.4
121.10155	1.4
123.11799	0.6
131.04945	1.2
131.08582	0.7
132.05295	1.0
132.08081	2.1
132.10213	2.5
133.08939	0.6
133.10144	0.9
134.09592	0.9
134.12436	0.5
134.99689	1.2
135.08060	1.1
135.11671	1.3
136.06203	1.4
143.00162	0.7
145.10114	0.9
146.09627	3.4
149.09647	0.6
149.13280	0.7
150.11273	2.1
158.99638	4.2
159.11728	0.8
161.09688	0.6
171.11710	0.6
172.10106	0.6
176.14363	69.8
177.00719	2.3
177.14671	0.7
181.10605	2.1
187.14871	0.5
190.11221	0.7
192.61465	0.6
202.11246	0.9
204.10182	0.8
218.21059	0.7
234.09213	1.1
241.33849	0.6
244.17891	0.6
262.08737	1.2
262.18051	100.0
262.23804	13.5
263.18414	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.6
55.05515	62.8
56.05038	1.2
57.98811	1.7
58.99591	50.3
61.01163	2.6
63.60971	0.5
63.92519	0.5
69.55616	2.8
69.56028	1.2
72.08138	1.3
73.01147	4.0
76.04011	7.2
83.08623	39.2
84.08141	1.9
86.09708	0.8
86.99057	31.8
88.02225	9.7
98.20855	1.0
104.05360	1.1
116.01684	100.0
120.08076	3.1
129.10213	1.2
144.01154	45.2
159.08372	0.7
160.33841	0.6
162.02209	79.7
262.10913	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.05515	60.7
56.05049	0.7
57.98794	0.8
58.99590	47.4
61.01158	0.9
69.07072	0.9
70.06586	0.8
70.54668	1.5
72.08150	0.9
73.01151	3.2
76.04008	6.5
83.08626	36.5
84.04504	0.8
84.08141	1.2
86.09683	0.9
86.99058	32.6
87.10008	0.7
88.02218	10.0
96.08787	0.6
101.09660	1.3
110.07150	0.5
116.01683	100.0
120.08125	2.1
129.10222	0.7
134.28424	0.4
144.00000	1.4
144.01155	45.1
162.02213	77.9
174.32545	0.6
189.62923	0.5
244.09932	0.7
258.77252	0.5
262.11020	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.4
55.05508	13.8
57.03430	0.8
57.07075	3.6
65.03919	2.0
67.05507	39.3
69.03400	0.7
69.07067	12.1
69.63637	0.6
71.04983	2.6
71.08614	1.7
72.53518	0.5
77.03923	1.0
79.05493	50.5
81.03418	0.8
81.07056	48.9
83.08626	7.0
83.31686	0.6
85.06544	4.4
91.05483	26.8
93.07044	65.8
94.07408	0.7
95.04964	3.4
95.08608	36.2
95.27229	0.6
97.06533	3.2
97.10162	2.8
99.08075	3.6
103.05472	0.9
105.04509	1.8
105.07030	18.2
107.04966	0.8
107.08594	47.4
109.06531	1.5
109.10155	15.0
111.08093	3.4
113.09624	2.0
115.05450	0.9
115.17313	0.6
117.07011	6.2
119.08579	14.9
121.06523	0.6
121.10146	42.1
123.08078	2.7
123.11712	5.6
125.09615	1.1
128.97224	0.7
130.07744	0.7
131.08572	15.2
133.10136	12.5
135.08096	0.9
135.11693	34.2
136.12001	1.0
137.09604	2.3
137.13261	1.7
138.08914	0.6
139.11163	0.7
143.08490	0.7
145.10124	14.6
147.11703	10.2
149.09602	1.2
149.13263	28.2
151.11195	1.5
151.14894	1.1
154.60971	0.6
159.08118	0.7
159.11700	12.5
161.13254	11.2
163.11171	1.1
163.14824	22.6
165.12737	1.3
167.14223	0.6
171.11676	0.8
173.13283	11.5
174.13646	0.6
175.14803	4.7
177.12796	0.9
177.16374	6.5
179.14296	1.6
187.14832	7.4
189.16405	1.2
191.14320	0.9
201.16397	3.9
203.17943	0.7
215.17952	2.2
217.19440	0.8
219.17476	0.8
233.22638	1.0
243.21094	35.8
244.21396	0.8
261.22134	100.0
262.22525	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2216
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02373	0.6
53.03944	3.2
55.01864	0.9
55.05239	0.7
55.05511	12.4
57.03437	1.5
57.07076	4.7
65.03936	2.2
67.05507	41.1
69.07070	13.4
69.29833	1.0
69.30243	3.9
71.04996	2.3
71.08635	1.7
72.70422	0.5
77.03923	1.0
79.05496	54.8
81.03428	0.8
81.07059	46.4
83.04967	1.0
83.08625	6.9
85.06549	4.1
85.10156	0.7
91.05483	28.4
93.07047	73.4
95.04979	4.2
95.08611	33.8
97.06524	3.7
97.09612	0.5
97.10161	3.1
98.21540	1.0
99.08092	3.7
103.37257	0.6
105.04533	1.5
105.07040	19.3
107.08598	47.9
109.06521	2.2
109.10164	14.8
111.08096	3.3
111.11674	1.0
113.09650	1.3
115.05503	0.8
117.07030	6.5
119.08582	16.9
121.10146	41.8
123.08091	2.1
123.11699	4.9
125.09628	1.1
127.11155	0.7
129.06984	0.9
130.07719	0.8
131.08568	16.4
133.10129	14.9
135.08083	1.3
135.11699	33.3
135.54398	0.5
137.09642	1.6
137.13255	1.9
139.11116	1.0
143.08629	0.8
145.10126	16.2
147.11697	14.4
148.40617	0.6
149.09642	1.3
149.13268	26.6
151.11159	1.3
151.14740	0.7
159.11713	9.2
161.13261	13.6
163.11237	0.8
163.14830	22.9
165.12775	1.4
173.13278	11.8
175.14845	4.4
177.12781	1.0
177.16411	6.3
179.14284	1.5
187.14844	8.9
189.16393	1.0
191.14366	1.3
201.16333	3.4
203.17860	0.7
205.15904	1.5
215.17987	1.9
216.09135	0.5
217.19611	0.6
231.11702	0.9
233.22679	1.4
243.21089	32.5
244.21367	0.8
246.13972	0.8
261.22144	100.0
262.22513	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.6
51.02371	0.9
52.79458	0.6
53.03943	3.1
55.01852	0.6
55.05269	1.0
55.05516	13.7
55.88224	0.6
57.03436	1.8
57.07080	4.2
57.59216	0.5
65.03936	1.7
67.05510	44.1
69.07072	13.4
69.26196	5.6
71.04984	2.5
71.08631	1.4
73.15438	0.7
73.43767	0.7
77.03933	1.6
79.05499	58.6
81.07063	48.7
81.95467	0.5
83.08621	7.8
85.06552	3.5
85.06953	0.6
88.71305	0.5
91.05489	29.6
93.07050	75.3
95.04987	3.6
95.08614	34.6
97.06542	4.0
97.10189	2.8
99.08093	4.1
105.04488	1.5
105.07036	20.0
107.04948	0.9
107.08602	47.0
109.06551	1.5
109.10168	15.8
111.08104	3.9
111.11710	0.9
113.09654	1.3
117.07035	6.5
119.06015	0.9
119.08593	14.9
121.10152	41.9
121.93022	0.6
123.08042	0.9
123.11699	4.8
123.60377	0.6
125.09597	1.1
131.08577	14.5
133.10141	14.7
135.08087	1.0
135.11696	37.4
136.35876	0.5
137.09607	1.9
137.13278	1.5
139.11176	1.5
145.10139	15.5
147.11699	10.8
149.09637	1.1
149.13264	26.1
151.11223	0.9
151.14833	0.9
153.12724	0.8
159.11703	11.9
161.13287	14.0
163.11160	1.0
163.13423	1.1
163.14822	21.4
165.12785	1.7
165.16321	0.7
173.13290	10.0
175.14833	5.7
177.12787	0.6
177.16347	4.2
179.14301	1.5
187.14850	7.3
189.16388	1.2
201.16322	2.8
203.17958	0.7
205.15849	1.3
215.17984	2.0
219.17447	1.0
233.22679	1.2
243.21101	30.9
261.22162	100.0
262.22562	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.0
53.03946	3.8
55.01873	1.0
55.05511	15.2
56.00739	0.5
57.03432	2.0
57.07080	3.8
59.14422	0.5
65.03946	2.2
67.05507	43.6
69.07070	11.6
69.87440	1.7
69.87865	0.9
71.04987	2.3
71.08638	1.4
77.03934	1.3
79.05495	63.2
81.07057	51.3
83.04982	1.2
83.08626	7.4
85.06548	4.6
91.05481	33.4
93.07046	81.7
95.04977	3.7
95.08609	35.8
97.06516	3.7
97.10158	2.7
99.08115	3.3
105.04511	1.9
105.06316	0.7
105.07034	20.5
107.08597	52.4
109.06517	1.9
109.10162	16.2
111.08055	3.0
113.09651	1.6
117.07034	7.7
119.06044	0.6
119.08588	16.8
121.10147	44.3
123.08097	1.5
123.11700	5.3
125.09602	0.9
129.07024	0.8
130.07811	1.0
131.08577	16.3
133.10129	13.6
135.08092	0.9
135.11694	35.7
137.09619	2.4
137.13257	1.4
139.11185	1.1
141.77878	0.5
145.10123	14.9
145.78375	0.5
147.11693	12.7
149.09654	1.3
149.13261	28.4
151.11182	1.3
151.14833	0.8
153.12714	0.6
159.11699	10.4
161.13268	12.1
163.04138	0.5
163.14825	20.0
165.12674	0.9
173.13272	10.7
175.14830	5.2
177.16377	5.7
177.17671	0.6
179.14276	2.3
187.14810	6.6
189.16519	0.8
191.14314	0.6
198.28439	0.4
201.16386	3.5
203.17964	0.8
205.15945	1.3
215.17891	1.6
219.17455	0.9
233.22583	1.6
243.21089	31.5
244.21323	0.5
261.22141	100.0
262.22369	1.0
281.44193	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02376	1.0
53.03946	3.2
55.01875	1.0
55.05513	14.7
57.03439	1.3
57.07076	4.1
65.03648	0.4
65.03937	2.1
67.05507	42.7
68.59737	0.4
69.07070	13.1
70.94881	0.9
71.04988	1.9
71.08636	1.2
71.29510	0.3
77.03944	1.6
79.05497	60.3
81.07059	47.0
83.04978	1.1
83.08622	7.4
85.06550	4.4
85.16502	0.4
88.03075	0.4
91.05482	31.3
93.07047	76.7
95.04977	3.6
95.08611	37.0
97.06538	3.4
97.10171	3.0
99.08088	3.6
103.05456	0.6
105.04527	1.3
105.07035	19.9
107.04980	0.5
107.08598	47.4
109.06529	2.6
109.10162	15.3
109.10929	0.7
111.08088	3.4
111.11779	0.4
113.09634	1.5
117.07022	7.5
119.06084	0.9
119.08582	16.4
121.06495	0.7
121.10149	44.3
123.08073	1.8
123.11703	4.7
125.09629	1.2
129.07051	0.6
130.07790	0.6
131.08574	14.9
133.10135	13.3
135.08083	0.9
135.11696	34.9
137.09631	1.4
137.13239	1.3
139.11198	0.6
141.12761	0.4
143.08565	0.6
145.10124	15.1
147.11691	13.2
149.09613	1.3
149.13266	28.2
150.13554	0.4
151.11134	1.3
151.14851	1.0
153.12703	0.7
157.66948	0.4
158.50851	0.4
159.11702	10.8
161.13257	12.3
161.93222	0.4
163.11198	0.9
163.14833	19.7
165.12776	1.6
173.13260	11.7
175.14859	4.1
177.12827	0.5
177.16399	5.4
179.14310	1.7
187.14838	7.5
189.16426	1.1
191.14333	0.8
193.15869	0.6
201.16379	3.7
203.18102	0.8
205.15952	0.7
212.18167	0.4
215.18025	1.4
219.17398	1.0
233.19075	0.5
233.22614	1.7
243.21092	28.5
261.22147	100.0
262.22501	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2216
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03952	2.9
55.01874	1.2
55.05516	14.6
57.03441	1.0
57.07082	3.2
65.03944	1.7
67.05509	43.0
69.07073	13.8
69.33329	5.0
69.70078	0.6
71.04999	2.1
71.08630	1.2
77.03928	1.6
79.05499	62.8
81.07062	51.4
82.07407	0.8
83.04959	1.0
83.08627	6.5
85.06552	3.8
85.74688	0.6
91.04900	1.1
91.05486	32.4
93.07049	79.9
95.04984	2.9
95.08612	38.2
97.06556	2.9
97.10168	3.5
99.08113	4.1
105.04545	1.4
105.07040	19.7
107.08600	50.5
109.06521	2.1
109.10165	15.6
111.08086	4.0
113.09641	0.9
117.07028	6.4
119.08594	16.5
121.10151	45.3
123.08076	2.0
123.11724	5.2
125.09638	1.0
127.64800	0.6
129.07005	0.8
131.08574	16.0
133.10138	15.1
135.11700	36.6
137.09639	2.4
137.13255	1.1
139.11183	1.2
143.08585	0.7
145.10129	16.5
147.09958	0.6
147.11681	12.0
149.09647	1.2
149.13268	28.9
151.11208	1.7
151.14787	0.9
153.12743	0.9
157.10022	0.7
159.11705	10.4
161.13278	12.2
163.14838	21.4
165.12813	1.1
173.13280	11.1
175.14836	5.5
177.16382	4.6
179.14337	1.8
187.14833	6.4
189.16435	1.0
191.14384	0.6
193.16011	0.6
201.16412	3.2
205.15869	1.3
215.17990	1.9
219.17479	1.4
233.22643	1.0
243.21107	32.8
261.22150	100.0
262.22443	1.5
265.37741	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1851
Annotation	(-)-Tochuinyl acetate
Peak:m/z	Relative Intensity
53.03929	1.5
55.01852	0.8
55.05511	24.2
57.07061	2.7
58.92370	0.7
59.04990	3.0
65.03926	0.9
67.05504	12.4
67.67616	0.8
69.03402	0.9
69.07066	16.8
71.04986	3.6
73.06530	1.2
77.03923	1.0
79.05493	13.6
81.07059	34.8
83.04982	5.3
83.08616	2.9
85.02895	0.9
85.06547	6.8
88.75279	0.7
91.05478	17.7
93.07046	29.4
93.07639	1.5
95.04922	1.5
95.08611	25.1
97.06551	1.9
97.10171	1.5
99.04459	9.2
99.08064	2.3
101.06020	7.5
103.05441	1.3
105.07036	78.9
107.08595	32.7
109.06506	2.6
109.10157	13.1
111.08049	1.0
117.07025	5.6
119.08587	83.7
120.08875	0.8
121.06489	1.0
121.10156	32.3
123.08078	2.6
123.11714	4.2
129.06993	1.4
130.07768	1.0
131.08557	12.6
133.10139	19.5
135.08037	3.2
135.11653	3.5
139.07521	0.9
143.08580	6.0
144.09328	2.3
145.10129	39.1
146.10982	1.2
147.11691	68.0
149.09599	4.2
149.13258	4.6
151.11166	0.8
153.09113	2.8
154.28331	0.8
155.08574	1.5
157.10152	5.8
158.99687	1.1
159.08090	1.1
159.11705	18.4
160.12466	6.7
161.09624	0.9
161.13257	17.8
163.11209	1.0
163.14789	2.9
165.09145	1.9
167.10608	4.6
169.10121	7.9
171.11691	4.0
173.09593	2.6
173.13269	8.0
175.11153	2.0
179.10704	1.4
181.12227	2.0
183.11714	6.9
187.11201	4.9
187.14799	1.6
191.10632	2.3
197.13269	3.8
199.14868	4.4
201.12830	4.3
201.16360	15.9
205.12254	4.0
215.14301	2.8
215.17998	1.7
219.13809	1.5
225.16359	11.1
243.17433	13.0
257.84354	0.8
261.18503	100.0
261.25699	5.5
273.25137	0.8
281.97644	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1851
Annotation	(-)-Tochuinyl acetate
Peak:m/z	Relative Intensity
53.03946	1.2
55.05275	1.4
55.05518	20.5
57.07074	1.1
59.04988	3.6
65.03932	1.4
67.05507	10.0
69.07072	11.4
69.96999	3.8
70.06573	3.4
70.36765	1.0
71.04987	2.6
73.06565	0.9
79.05491	8.1
80.58204	0.8
81.07059	27.9
83.04977	4.5
83.08607	1.2
85.06537	4.0
88.07622	3.8
91.05484	13.5
93.07053	23.5
95.08617	16.6
97.06523	3.4
98.88390	1.2
98.97559	2.3
99.04453	9.8
99.08076	1.2
101.06017	9.4
102.09187	2.0
103.05432	2.1
105.07037	75.9
107.07885	1.5
107.08604	30.4
109.06515	2.2
109.10158	9.2
115.05464	1.7
117.07014	5.5
119.08587	67.3
121.06413	1.0
121.10146	26.3
123.08112	2.6
123.11749	1.6
127.07555	2.5
128.06230	1.0
129.07001	2.7
130.07803	1.1
131.04942	1.4
131.08568	11.9
133.10143	18.0
135.08055	4.1
135.11682	2.5
142.07732	1.2
143.08580	7.5
145.10136	36.2
146.10857	1.1
147.08038	2.2
147.11699	62.0
149.09654	3.8
151.11116	1.4
153.09128	2.4
155.08609	2.7
157.10101	7.5
159.08083	2.2
159.11690	19.1
160.12508	5.4
161.09602	1.3
161.13283	13.0
163.11241	1.4
167.10692	4.0
169.10106	8.4
171.11702	4.1
173.09651	1.5
173.13260	7.1
175.11163	1.6
177.09077	1.4
179.10672	1.5
183.11748	6.0
185.13300	1.5
187.11270	5.1
187.14728	2.1
191.10750	3.0
197.13301	3.7
199.14841	3.7
200.20113	6.3
201.12677	2.7
201.16380	16.7
205.12170	4.8
215.14267	1.5
215.17950	2.6
219.13939	1.5
225.16368	12.8
243.17511	10.6
261.18521	100.0
262.18878	1.5
262.23755	11.3
269.58112	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1448
Annotation	CHEBI:73506
Peak:m/z	Relative Intensity
50.54217	0.7
55.05492	1.1
56.05040	8.3
56.96569	1.4
59.30596	0.8
61.01154	0.9
61.20439	0.9
65.18388	0.8
67.05494	1.9
69.07065	2.9
69.43054	4.8
70.06597	3.2
72.08163	6.5
81.03420	1.0
81.07040	1.1
84.04514	100.0
84.08153	20.2
85.02907	2.3
85.08489	3.0
86.09713	93.4
87.02708	2.0
87.10046	4.0
91.05491	1.3
98.36411	0.7
98.97586	2.7
99.62630	0.9
102.05552	15.1
103.05451	1.1
104.05350	3.6
112.07646	1.1
113.07079	1.2
120.08111	7.8
124.07587	1.0
129.05724	0.7
129.06639	4.0
129.10255	6.6
130.04980	1.6
130.08675	2.4
132.04779	1.7
132.10216	47.8
138.05623	0.9
141.06592	3.3
143.11833	2.1
144.12177	1.7
147.11343	1.2
148.11655	1.3
152.10730	0.9
160.08728	2.6
172.11734	0.8
177.10234	1.9
185.08517	0.8
189.00781	1.2
197.12878	50.8
216.07764	1.0
219.01778	1.4
225.12375	3.6
233.09415	1.4
243.13428	43.1
261.09744	1.9
261.12341	1.8
261.15057	1.6
261.20071	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
54.73443	0.3
55.05513	1.6
56.96564	1.0
57.03439	1.0
60.05649	0.8
65.32100	0.4
67.05502	1.1
68.36342	0.4
69.03430	1.7
69.07075	1.0
70.06592	1.2
71.08627	0.7
71.49969	0.4
71.50386	0.5
72.08167	8.7
73.04054	0.6
77.03919	0.6
79.05495	1.4
81.07080	2.0
83.05000	0.5
84.04495	0.5
84.08153	1.2
84.19543	0.3
86.09718	2.9
88.03996	0.6
91.05482	1.1
93.07009	0.5
95.04980	0.8
95.08610	0.7
97.02899	1.2
97.06547	0.6
97.07645	1.9
98.06057	1.2
98.97581	0.7
99.08118	2.5
103.05480	18.4
104.05811	0.4
105.07038	0.9
107.04955	0.8
107.08624	0.7
108.68737	0.4
111.04530	0.4
114.10301	21.3
115.05499	0.4
115.08704	7.7
117.07043	0.6
119.08570	0.7
120.08105	2.9
127.03886	0.5
129.07005	0.4
129.10222	0.7
130.06563	1.3
131.04941	100.0
132.05292	0.8
136.06206	0.4
143.08629	0.9
145.06502	0.5
145.10072	0.8
146.06041	0.4
146.71844	0.4
148.07602	0.9
149.01221	0.8
149.05963	1.5
154.07799	0.8
155.08607	0.6
159.11728	0.7
163.03943	1.0
163.07652	0.5
169.10127	0.6
173.02467	0.6
173.09671	0.6
188.57159	0.5
197.09607	0.7
201.09200	0.6
201.13901	13.7
202.12279	18.0
215.10620	0.7
219.14952	1.5
225.20634	0.5
243.13765	0.5
243.21564	1.6
244.14490	14.7
261.11401	1.2
261.17133	60.5
262.17438	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1607
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
51.16246	0.6
52.18450	0.7
53.09725	0.6
56.05045	7.8
56.96584	0.8
57.92886	0.7
60.04524	0.7
69.03441	0.8
69.06725	0.6
69.07072	4.2
70.01534	1.5
70.01921	1.3
70.06597	2.3
72.08179	3.9
72.08524	0.9
74.02454	1.3
82.06653	0.7
83.06111	44.4
84.04514	53.7
84.08151	35.1
85.04851	1.4
85.08496	0.9
86.09715	100.0
90.05598	1.5
95.04958	0.7
98.06062	0.6
98.21397	0.8
101.07146	6.1
101.10820	0.8
102.05527	1.1
112.07622	0.6
113.07166	0.7
120.08140	1.9
129.06627	4.5
129.10252	8.9
130.05051	1.7
130.08672	6.6
132.10211	23.7
132.11182	1.4
135.38397	0.6
141.06628	1.6
143.11795	3.3
147.07707	2.2
147.11281	7.5
152.10767	1.3
157.13380	7.6
161.09120	0.8
171.11365	2.9
172.04330	1.4
185.12907	1.8
189.12329	1.5
196.14505	6.4
197.12885	22.4
197.82280	0.7
198.11288	0.8
225.12395	2.5
242.15022	43.9
243.13420	20.9
243.15727	0.8
243.17227	1.8
260.07437	0.8
260.16238	2.3
260.19693	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	261.0308
Annotation	Cyclophosphamide
Peak:m/z	Relative Intensity
67.24064	0.2
70.32356	1.0
70.65517	0.2
79.59473	0.2
82.99842	1.2
87.82143	0.2
89.52918	0.2
98.97620	0.5
101.00893	6.2
113.00877	0.3
116.98768	0.3
119.01928	5.4
120.02008	0.3
126.24796	0.2
134.99913	0.5
137.02933	0.7
140.98820	1.6
143.01846	0.3
158.99922	4.3
165.48659	0.3
169.63467	0.3
175.03058	0.6
177.00977	12.4
178.01031	0.5
182.99821	1.7
199.02988	0.4
201.00981	4.9
201.02829	0.3
217.04106	2.9
219.02020	17.6
220.02184	0.5
225.00912	2.5
234.00746	0.3
237.98775	1.8
238.98273	0.3
243.02022	15.2
244.02280	0.6
261.03085	100.0
262.03238	4.0
263.03659	0.3
275.04630	0.3
284.04654	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.0
53.80700	1.3
55.01883	6.1
55.05512	12.4
57.03436	2.6
57.07077	4.2
67.05515	17.5
69.03448	1.3
69.07074	30.0
71.08644	1.4
71.49644	2.0
77.03952	1.2
79.05498	24.6
81.07068	36.9
83.08623	6.3
84.08122	1.5
85.06523	1.3
89.03906	8.1
91.05476	9.6
93.07058	24.1
95.04964	2.1
95.08619	45.5
97.06541	100.0
97.10189	6.3
105.07044	16.3
107.08604	33.5
109.10164	26.2
111.11755	3.0
117.03391	7.0
117.07044	3.5
119.08592	15.5
121.10155	21.3
123.11726	15.1
131.08585	2.9
133.02873	6.2
133.03772	1.7
133.06491	2.0
133.10132	12.0
134.03679	2.1
135.04456	7.7
135.11708	16.3
137.13251	6.4
143.08626	2.3
145.02856	7.6
145.10143	3.8
147.11690	12.2
149.13271	23.8
151.14835	2.8
157.06468	1.5
157.10185	2.5
159.04462	6.1
159.08038	1.7
159.11720	4.5
161.02368	21.8
161.13266	11.1
163.03922	36.4
163.14827	16.8
167.08601	1.7
171.11726	2.0
173.02367	44.7
173.13301	3.8
175.14864	10.3
177.16397	3.9
185.05934	1.4
185.13269	2.3
187.03850	1.7
187.07568	1.5
189.16409	12.0
199.14911	2.5
201.16405	5.9
203.17955	11.5
215.07062	38.5
240.61194	1.2
241.19518	3.4
259.09680	18.4
259.17188	2.9
259.20624	9.3
259.24240	53.7
259.27020	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	259.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92385	1.4
53.03939	4.4
54.61261	1.3
55.01850	1.6
55.05514	31.1
57.03423	2.4
57.07057	4.7
63.02341	1.4
63.19279	1.4
67.05511	39.9
69.07072	44.2
70.94826	4.0
71.08625	2.6
77.03918	1.6
79.05075	2.5
79.05499	34.0
81.07060	89.1
83.04964	1.8
83.08629	15.6
89.03914	2.1
90.17384	1.4
91.05477	18.6
93.07050	64.4
95.04944	2.7
95.08610	84.4
97.06527	26.0
97.10170	16.9
105.07037	25.2
107.08601	81.8
109.10159	51.8
111.08047	1.4
111.11742	4.6
115.05484	2.0
117.03374	4.4
117.07034	2.5
119.08598	23.2
121.10149	47.1
123.11718	25.4
125.13300	1.7
131.08530	4.4
133.10136	16.4
134.03653	1.4
135.04474	7.4
135.11694	46.2
137.13277	9.0
143.08578	2.3
145.02853	4.0
145.10117	4.9
147.11702	20.6
149.09714	1.4
149.13272	63.3
151.14786	4.2
157.10123	3.7
159.11688	2.9
161.02286	3.3
161.13243	12.9
163.03899	24.7
163.14824	37.1
171.11743	3.7
173.02368	8.8
173.13336	2.0
175.14861	15.3
177.16396	14.5
185.13231	3.4
189.16360	17.6
199.14867	1.5
201.16402	4.3
203.17987	19.3
215.07097	11.7
217.19591	3.1
241.19547	3.8
259.09686	7.5
259.16843	2.9
259.20621	14.8
259.24216	100.0
260.24515	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.206
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03941	3.4
55.05513	8.9
57.07087	8.2
61.08665	1.2
63.02446	1.3
67.05508	13.6
69.07074	15.1
69.81792	3.8
69.82188	2.2
71.04984	6.1
71.08631	1.5
72.08144	2.1
79.05497	9.8
81.07061	15.7
83.04972	1.7
83.08610	5.7
84.08115	1.4
85.06549	17.2
87.81810	1.2
89.51474	1.3
90.09185	1.5
91.05486	14.9
93.06495	1.5
93.07055	27.6
95.04935	1.8
95.08614	27.9
97.06545	3.8
97.10183	1.7
99.08117	3.9
105.07034	23.5
107.08611	23.9
109.10156	19.4
113.09618	2.9
117.07014	8.8
118.23730	1.3
119.08591	36.0
121.10151	11.9
123.11730	2.0
128.06197	2.6
129.07027	5.5
130.07797	4.1
131.08563	22.0
133.09267	1.3
133.10144	31.6
135.11707	6.8
137.09558	2.1
139.11203	1.9
141.06964	2.1
142.07729	3.4
143.08575	10.2
144.09340	4.2
145.10138	41.1
147.04401	5.7
147.11684	17.0
149.09631	2.1
151.11172	6.2
156.09378	3.5
157.10120	12.4
158.10904	3.7
159.11691	41.8
161.09576	1.4
161.13272	5.1
163.03955	2.4
165.12784	3.6
169.10127	1.6
170.10904	3.9
171.11688	16.5
172.12320	1.5
173.13272	20.9
175.11209	1.5
175.14848	7.1
177.82240	1.3
183.11719	1.6
185.13275	23.0
186.13985	2.5
188.08290	2.8
189.12790	2.7
189.16374	6.8
199.14833	10.0
201.16399	100.0
203.10684	2.8
203.14323	4.6
231.21126	1.9
241.19542	28.4
259.17062	8.3
259.20587	76.8
259.28125	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	259.2058
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03945	2.1
55.01867	4.6
55.05514	11.1
57.07064	5.7
57.17020	1.5
67.05508	27.0
69.06728	2.0
69.07069	19.9
70.10493	2.0
70.10844	6.2
71.04988	5.7
71.08621	1.6
79.05495	22.3
81.07062	50.6
83.05033	2.3
83.08616	5.4
85.06540	6.4
89.03928	3.1
91.05484	19.8
93.07047	34.8
95.04980	7.9
95.08613	56.5
97.06541	35.4
97.10173	3.6
99.08079	2.8
105.07040	49.2
107.04939	2.5
107.08598	42.4
109.06525	3.9
109.10164	26.2
110.10535	1.5
111.08070	2.4
111.11716	2.1
117.03357	2.4
117.06992	14.4
119.08594	33.2
121.06504	5.5
121.10151	19.4
123.04412	4.0
123.08047	3.5
123.11705	9.4
125.09602	1.7
128.06215	3.5
129.07033	7.5
129.14354	1.5
130.07767	2.5
131.08571	32.6
133.06462	1.5
133.10143	24.6
135.04369	4.4
135.08046	4.6
135.11684	12.8
137.13245	3.7
141.06972	1.8
142.07802	2.4
143.08562	22.0
144.09341	3.7
145.02869	4.0
145.10138	45.9
145.11287	2.5
147.08116	2.2
147.11696	22.3
149.09631	5.2
149.13275	14.0
151.11215	2.0
155.08614	2.1
156.09378	2.7
157.10135	20.8
159.10469	2.9
159.11716	39.7
161.02344	3.6
161.09615	2.8
161.13292	10.6
163.03915	16.1
163.11191	3.4
163.14798	8.6
165.12730	2.7
170.10962	1.9
171.11671	14.7
173.02344	13.2
173.13283	24.3
175.14839	5.4
177.12759	3.5
177.16438	2.6
185.13226	19.7
186.13972	2.0
187.14827	2.0
189.12764	3.1
189.16382	8.3
199.14842	22.6
201.16389	100.0
202.16953	1.8
203.14267	3.7
203.17953	5.9
213.16371	8.0
215.07066	11.8
215.17923	1.6
217.19438	2.2
241.19519	48.6
259.09662	5.5
259.17026	8.6
259.20587	84.4
259.24146	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75700	1.2
53.03940	2.5
55.05514	9.5
55.91512	1.0
57.07056	2.8
67.05510	12.2
69.06190	1.0
69.07068	28.4
69.58412	6.5
71.04991	17.6
79.05487	7.4
81.07063	20.4
83.04973	4.8
83.08629	6.7
85.06081	1.5
85.06546	18.0
87.20764	1.2
91.05486	12.8
93.07045	15.4
95.04944	3.1
95.08073	1.3
95.08614	16.7
97.06535	4.0
97.10156	1.8
105.03410	4.1
105.07030	21.1
107.08598	17.9
109.06536	6.2
109.10159	13.0
111.08100	9.8
117.07011	9.2
117.73866	1.1
119.08583	42.0
121.10140	11.4
123.08086	1.6
123.11715	21.9
128.06186	2.9
129.01820	3.1
129.06950	3.1
130.07751	2.4
131.08577	13.3
133.10135	31.1
135.08058	10.8
135.11725	4.2
137.09599	4.1
137.13277	1.2
142.07750	2.7
143.08569	8.0
144.09331	1.9
145.10121	26.4
147.08113	1.4
147.10649	1.8
147.11702	17.6
149.09618	4.4
149.13293	1.9
151.11205	1.6
156.09344	4.2
157.10143	13.5
159.11693	28.8
160.12411	4.4
161.09547	2.3
161.13257	28.7
163.11160	2.2
169.10243	1.4
170.10901	1.2
171.11697	17.6
173.13300	10.0
175.11156	3.1
175.14828	77.3
176.15582	3.8
177.12752	3.6
177.16432	3.2
185.13263	14.0
189.12727	5.1
189.16376	5.2
190.13503	1.6
191.14261	2.1
199.14839	4.8
201.16379	27.7
203.14352	9.1
215.17967	3.6
217.19453	3.3
241.19530	17.7
248.32693	1.1
250.51256	1.0
259.20575	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05518	11.5
57.07077	2.5
66.42643	2.1
67.05515	12.1
69.03394	2.0
69.07073	39.6
69.19546	2.0
71.04998	26.7
71.15886	3.3
79.05496	5.5
80.14409	1.9
81.07063	20.5
81.25366	1.7
81.80173	1.9
83.04969	6.5
83.08630	5.5
85.06555	19.6
91.05489	18.1
93.07054	14.1
95.04952	3.9
95.08607	22.6
97.06522	5.1
103.05450	2.2
105.07034	32.6
107.08597	21.3
109.06512	7.0
109.10158	16.6
111.08077	11.9
117.02996	1.8
117.07026	11.6
119.08588	54.3
120.09339	1.7
121.10123	12.9
123.11704	25.5
129.06981	3.3
131.08575	21.0
133.10147	38.1
135.08073	12.2
135.11702	7.1
137.09657	2.5
142.07788	4.1
143.08588	11.3
144.09357	4.8
145.10124	37.0
147.11705	18.6
149.09650	2.2
149.13339	2.6
156.09361	4.1
157.10162	13.4
159.11702	36.9
160.12560	3.1
161.13258	36.1
163.11255	3.9
170.10890	2.5
171.11671	17.3
173.13298	10.5
175.11241	4.1
175.14836	90.9
176.15590	5.6
177.12733	5.6
177.16402	4.4
185.13240	14.3
187.14853	3.0
189.12851	3.7
189.16383	6.1
190.13583	4.3
199.14873	5.0
201.16397	25.7
203.14360	11.0
215.17990	7.1
217.19569	4.3
241.19513	20.2
259.20590	100.0
260.20950	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74920	1.6
55.05506	2.8
70.06593	6.3
70.79420	4.4
72.08162	16.2
73.03560	2.0
81.07037	3.8
83.06105	3.5
84.04520	3.6
84.08170	14.0
86.09691	9.1
91.05478	4.7
92.05785	2.2
95.06107	23.8
96.06445	10.5
97.02899	2.0
107.17442	1.7
111.05595	13.3
112.08747	51.5
113.08398	4.2
113.09071	26.0
119.04972	5.1
120.05306	8.9
124.48388	2.3
125.07153	2.8
129.10226	3.1
147.04430	23.9
148.04764	32.5
189.99709	1.7
232.09515	2.3
237.81195	2.0
241.15503	13.0
258.64893	2.3
259.04282	100.0
259.12582	13.4
259.16580	8.9
259.67578	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	259.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.1
58.99868	2.3
59.09608	0.9
64.02055	0.9
68.98280	1.2
70.06591	3.9
70.99871	5.7
71.14169	2.1
73.01418	2.2
73.02904	1.2
74.09705	1.4
76.17507	1.0
77.00914	1.6
82.99846	7.0
84.04485	1.5
84.08140	6.6
85.01411	2.8
85.02896	1.6
89.00888	1.7
91.02469	3.0
94.99844	1.8
97.01406	1.6
97.02898	1.4
98.06037	1.3
101.00888	64.9
102.00979	1.6
102.77371	0.9
103.02462	5.1
105.00354	1.2
110.01411	1.5
113.00878	23.7
114.52192	1.0
115.02433	11.1
119.01929	100.0
120.02076	2.0
120.44519	1.0
121.01668	2.3
125.53488	0.9
126.98794	2.7
127.02429	3.4
129.00352	1.3
129.03990	1.7
129.10245	1.3
131.01915	52.2
132.02007	1.2
132.05173	1.2
133.03482	27.2
135.04964	1.2
137.02956	14.3
141.00381	1.0
142.03497	2.2
143.00858	1.8
143.01921	23.9
144.99837	4.7
145.01721	1.3
145.03470	26.6
147.01424	2.7
147.05025	4.4
148.61549	1.1
149.02980	9.7
150.03413	1.0
151.04543	6.3
155.01863	3.6
156.99858	1.9
157.01624	2.2
157.03471	4.4
159.01428	5.9
159.06792	1.3
161.02971	46.8
162.03079	1.1
163.04594	6.1
165.06073	2.5
168.99805	1.7
169.01733	1.3
171.01411	4.6
171.06725	1.3
173.02986	15.6
174.03336	1.2
175.00896	10.7
175.04483	2.4
177.02484	7.1
177.07922	1.9
179.04115	1.5
181.05247	1.3
183.01320	1.0
185.02954	1.8
187.00923	6.4
187.02484	1.4
187.04475	2.1
189.02499	13.2
191.04054	8.2
193.02042	1.9
195.03558	1.7
196.99503	1.7
199.00867	10.5
199.02512	1.8
199.06342	4.3
200.02332	1.2
201.02495	2.1
203.04041	1.5
205.01971	2.0
207.03488	2.2
209.05148	1.8
215.00381	3.1
215.04034	2.7
217.01950	46.8
217.04033	2.4
219.03513	2.2
227.00423	3.9
229.02101	2.1
231.03571	1.8
233.01489	2.0
233.04991	1.6
235.03000	29.1
240.03587	1.4
241.01714	1.8
241.07431	2.1
245.01402	6.4
247.03012	1.9
253.04185	1.4
259.04074	8.5
259.08453	3.9
263.02570	1.4
265.03934	1.3
277.04083	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94167	1.3
54.13758	1.4
54.30614	1.2
55.00405	1.5
57.95297	1.3
58.99860	4.2
59.23253	1.1
66.68366	1.2
70.02057	2.4
70.02463	3.3
70.06570	3.1
70.99863	18.0
72.08156	2.5
73.01398	3.4
82.99833	8.9
84.04483	1.8
84.08144	5.4
86.09705	2.3
89.00910	3.4
91.02448	3.1
94.99829	1.7
98.97580	5.2
101.00890	58.0
103.02438	1.8
113.00877	16.6
115.02437	10.3
116.98647	2.2
119.01929	58.3
129.10271	1.6
131.01915	38.6
133.03479	40.6
137.02975	4.4
138.98715	1.9
143.01895	7.1
145.03465	4.5
149.02925	10.4
151.04507	5.9
153.17729	1.4
155.01987	1.5
156.99832	15.6
159.01416	6.4
161.02985	10.6
163.04576	2.4
171.01413	18.7
173.02969	3.5
175.00888	72.5
176.04256	2.1
177.00940	2.1
177.02448	16.0
177.07838	2.6
179.04079	1.5
185.02911	1.5
187.04503	3.5
188.09196	1.9
189.02458	36.9
191.04007	7.1
193.01918	9.7
199.00551	7.9
199.02516	6.6
200.92354	1.6
203.04021	2.1
207.03406	2.1
213.02425	11.4
215.04066	3.1
217.01956	100.0
231.03635	7.2
233.05157	2.3
235.03008	41.1
236.06389	1.6
240.03632	1.5
241.01990	8.3
245.01344	1.5
249.04536	2.3
259.04105	29.0
277.01144	1.9
277.04053	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	258.124
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05020	0.8
71.38686	0.6
72.08167	0.9
73.54711	0.4
82.81936	0.4
83.05009	0.6
83.06119	3.4
83.96783	0.5
91.05492	7.5
94.19088	0.4
94.30902	0.4
95.06100	44.8
108.60639	0.4
112.08739	100.0
113.09105	0.5
119.04951	23.6
120.12334	0.4
120.68588	0.5
122.33717	0.4
124.12355	0.4
138.06644	3.0
147.04420	62.5
148.04781	0.5
158.08162	0.5
240.11407	1.0
258.12408	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	258.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.8
57.07082	13.2
58.06604	1.8
62.05793	0.5
62.06096	8.3
70.27761	1.1
71.08640	5.9
85.09783	0.3
85.10196	2.7
89.27105	0.3
117.77907	0.3
119.08576	0.5
131.08598	0.4
145.10071	0.4
183.48628	0.4
206.00847	0.4
240.26872	5.8
258.27945	100.0
259.28326	1.2
265.16663	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	8.3
55.95731	0.6
57.07088	3.4
58.07419	0.8
59.50497	0.7
67.05508	15.6
68.76293	0.6
69.07074	7.7
70.06597	0.7
70.79642	1.3
70.79962	0.8
72.08147	2.5
79.05503	7.7
81.07064	24.5
83.08611	2.9
88.07626	1.5
88.88111	0.7
90.09180	1.6
91.05482	9.3
93.07050	15.3
95.04990	0.9
95.08617	29.3
97.10169	2.1
99.08082	0.8
99.75156	0.6
105.06321	0.7
105.07040	18.5
107.08605	19.2
109.06544	0.7
109.10167	18.5
117.07027	6.5
119.08593	20.9
121.10159	14.5
123.11716	5.4
128.06288	1.1
129.07028	3.8
130.07755	0.9
131.08578	15.6
133.10138	14.1
135.08096	1.2
135.11717	7.4
137.13326	0.7
140.06824	0.8
141.06969	1.2
142.07797	1.4
143.08554	5.3
144.09358	1.1
145.10129	24.2
145.79256	0.7
147.11710	15.3
149.13278	11.3
155.08562	2.3
156.09380	0.7
157.10153	5.0
158.10884	1.6
159.11705	20.7
161.09613	0.9
161.13268	15.5
163.11140	1.3
163.14847	6.7
169.10139	2.4
171.11732	5.2
172.12480	1.0
173.09575	0.7
173.13283	17.3
175.14824	7.5
177.16360	1.1
178.91200	0.7
183.11656	3.0
185.13283	4.8
187.11223	1.2
187.14841	28.3
189.16408	1.9
197.13300	2.3
199.14883	2.0
201.12781	1.2
201.16415	14.8
204.63419	0.7
211.12285	2.0
211.14445	0.7
213.16376	2.0
215.17953	6.1
229.19542	14.6
239.11835	0.9
239.17957	4.4
257.07990	0.7
257.19052	19.0
257.22650	100.0
257.26489	5.9
258.23096	1.8
258.27921	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	257.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.01866	0.9
55.05516	41.7
57.03423	1.2
57.07079	11.8
62.00826	0.7
64.77316	0.8
65.03946	1.9
67.05511	64.4
69.03422	0.9
69.07072	55.4
69.46147	2.1
69.46568	3.5
70.06591	2.4
71.04991	8.6
71.08623	3.1
72.08155	8.2
73.08517	0.9
75.52551	0.7
78.99149	0.8
79.05495	9.5
81.03453	0.9
81.07064	85.2
82.07391	0.9
83.08624	50.6
84.06995	0.9
84.08150	1.8
85.06555	6.0
85.10181	0.9
86.09709	1.8
91.05494	5.6
91.83739	0.7
93.07051	8.3
95.04963	1.0
95.08614	100.0
97.02875	1.0
97.06551	1.3
97.10176	30.7
98.06054	2.4
98.97591	0.9
99.08106	2.0
103.04102	0.8
103.05450	1.4
105.07044	7.7
106.26208	0.9
107.08582	5.7
109.06527	1.0
109.10162	48.5
110.23699	0.9
111.11734	9.6
115.08653	1.1
116.98514	0.9
117.07021	2.9
119.08590	5.4
121.06515	1.4
121.10156	4.0
123.04421	1.2
123.11711	18.7
125.13277	3.5
128.06221	1.4
129.07007	3.0
129.10214	1.0
131.04916	1.3
131.08540	6.2
133.10098	3.8
135.11726	2.4
137.13260	8.9
141.07036	1.1
142.07761	2.7
143.08569	5.8
144.09265	1.0
145.10118	8.1
147.11719	3.8
149.09653	1.1
149.13239	1.7
151.14838	3.3
153.06999	0.7
154.07762	0.9
155.08560	2.9
156.09392	1.7
157.10118	9.1
159.11708	7.0
161.13249	2.6
165.16409	2.0
169.10158	4.1
170.10864	1.3
171.11723	5.3
172.12302	0.9
173.13290	2.5
175.14827	1.6
182.11026	0.8
183.11714	5.4
184.12460	2.4
185.13300	1.2
187.11270	1.0
187.14885	3.2
187.34818	0.9
197.13301	4.2
199.14853	14.0
201.12720	2.3
201.16463	1.9
211.14882	1.3
213.16473	1.0
215.14461	1.3
215.18025	1.1
221.22675	2.7
237.56413	0.9
239.18031	6.0
239.23659	3.9
248.63152	0.9
257.04520	0.9
257.11810	1.5
257.15305	1.6
257.19009	15.0
257.22617	11.0
257.24707	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	257.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01614	0.9
53.03939	1.1
55.05515	6.5
57.07053	2.0
67.05509	11.2
69.07068	7.6
69.24128	2.8
69.24540	5.3
70.83898	0.8
79.05494	6.6
81.07063	21.6
83.08629	3.1
91.05515	5.6
91.05997	1.6
93.07046	16.6
95.08617	30.0
97.10182	2.3
98.20698	1.8
105.07035	19.6
107.08604	18.3
109.09483	1.5
109.10172	17.5
111.11761	1.0
117.07013	3.3
119.08601	19.6
121.10157	11.6
121.10948	1.5
123.11722	5.8
129.07089	1.9
131.08571	10.0
133.10139	10.5
135.11700	8.2
143.08589	1.9
145.10127	20.7
146.10887	1.1
147.11708	16.1
149.13264	12.8
157.10135	2.3
158.10942	1.2
158.36833	0.8
159.11713	20.4
161.13281	14.9
163.14832	6.9
172.12471	3.6
173.13248	18.3
175.14853	7.7
185.13342	1.3
185.57611	1.1
187.14842	50.9
189.16386	2.0
199.14911	2.1
201.16411	17.0
215.18031	5.1
229.19539	25.6
239.18080	1.7
257.19180	4.0
257.22659	100.0
258.22968	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88877	0.7
55.05513	6.8
57.07079	1.5
65.03900	0.8
67.05506	13.8
69.07074	6.4
69.32185	6.6
70.06577	1.8
72.08154	1.4
79.05492	6.6
81.07060	21.2
83.08605	3.2
88.07620	1.1
88.31644	0.7
91.05469	7.4
93.04508	0.7
93.07047	14.7
95.04893	0.7
95.08610	28.3
97.10182	2.2
103.05460	1.1
105.07031	17.2
107.08598	18.9
109.06534	1.3
109.10162	18.9
109.10925	1.2
116.06219	0.9
117.07005	6.0
119.08586	21.3
121.10146	18.0
123.11691	5.5
128.06215	1.5
129.06985	4.4
130.07803	1.3
131.08577	18.2
133.10143	11.6
135.08054	1.3
135.11703	8.8
137.09628	0.8
137.13333	0.8
140.06908	0.9
141.06989	1.8
142.07751	1.2
143.08583	7.8
144.09373	1.8
145.10127	37.0
147.11687	12.1
149.13277	9.5
155.08554	2.5
157.10136	7.0
158.10883	3.5
159.07915	0.8
159.11700	24.7
161.09596	0.9
161.13257	14.2
163.14854	6.3
169.03447	1.2
169.10118	2.0
171.11705	5.7
172.12469	5.2
173.13266	31.8
175.14836	9.8
183.11630	3.8
185.13225	2.2
187.14822	100.0
188.15157	1.6
189.16388	1.8
197.13200	2.1
199.14781	4.3
201.12743	0.9
201.16376	16.0
211.14861	1.2
213.16309	1.8
214.17169	1.0
215.17970	8.2
229.19524	56.5
239.17943	3.7
257.19034	19.5
257.22644	89.9
257.26559	9.7
258.23053	2.1
258.27963	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	257.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.05510	5.7
57.07085	1.4
67.05505	7.7
67.53492	0.8
68.67155	0.6
69.07064	5.5
69.26446	5.2
69.26859	0.9
69.92529	0.6
71.08638	0.9
79.05499	4.6
81.07059	19.3
83.08609	2.4
84.30403	0.6
91.05466	4.9
93.07043	13.6
93.42338	0.7
95.08611	26.6
97.10194	1.8
102.42643	0.7
105.07031	14.6
107.08593	17.3
109.10162	14.5
113.40881	0.6
115.05444	0.7
117.07034	2.7
117.74981	0.8
119.08585	19.2
121.10147	10.7
121.60250	0.7
123.11697	5.1
129.07051	0.9
131.08572	10.0
133.10130	12.2
133.11093	0.9
135.11700	7.5
137.13225	0.9
142.07626	0.7
143.02072	0.7
143.08554	1.3
144.09352	1.9
145.10124	27.9
147.11679	11.5
149.13248	10.3
157.10147	1.9
158.10931	2.8
159.11694	22.5
161.13257	11.8
163.14838	6.4
169.76257	0.6
171.11626	1.4
172.12444	5.6
173.13264	30.2
175.14853	7.6
177.16432	1.4
185.13298	1.3
187.14827	99.8
188.15167	1.8
189.16388	1.4
199.14793	1.5
201.16380	16.8
215.17975	4.6
216.23845	0.8
229.19521	70.3
230.19882	1.3
257.19159	2.9
257.22644	100.0
258.23059	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	257.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.9
55.05516	6.4
57.07076	1.3
65.03944	0.8
67.05510	11.2
69.07072	9.0
69.17689	1.6
69.18095	6.7
79.05497	7.0
79.05888	1.3
80.31873	0.7
81.06602	1.1
81.07059	20.6
83.08607	3.3
91.05480	6.8
93.06487	1.2
93.07047	17.6
95.08612	30.8
97.10159	2.3
105.07039	19.3
107.08598	23.9
109.10164	24.0
114.70328	0.8
117.07030	3.4
117.79510	0.8
119.08588	21.3
121.10149	14.8
123.11705	6.2
129.06952	1.2
131.08585	11.0
131.38084	0.7
133.10143	12.9
135.11696	10.5
137.13237	1.2
145.10133	16.5
147.11703	18.4
149.13274	12.5
157.10094	1.3
159.11714	17.2
161.13269	17.6
163.14825	7.4
169.10121	0.8
171.11693	1.7
173.13266	14.4
175.14827	8.7
185.13203	1.3
187.14836	14.7
188.15480	1.0
199.14812	2.6
201.16405	20.0
214.17160	1.6
215.17896	5.0
229.19559	3.2
257.22656	100.0
258.23001	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03957	1.3
55.01860	1.7
55.05513	16.1
57.03423	3.1
57.07072	2.0
57.97732	1.1
65.03947	1.5
67.05509	29.9
69.07081	10.4
70.67766	2.4
71.04996	2.4
71.08607	1.2
72.08145	2.6
74.33829	1.0
79.05501	14.4
81.07066	23.8
83.04977	2.2
83.08626	5.9
85.06560	2.4
86.26367	1.1
90.21274	1.0
90.92387	1.0
91.05486	25.2
93.07054	15.9
95.04978	3.0
95.08613	26.0
97.06541	4.2
97.10161	2.6
98.06059	1.6
103.05462	1.8
105.07041	26.3
107.04958	1.9
107.08595	11.6
109.06537	1.2
109.10165	10.6
111.08111	1.6
115.05471	3.6
116.06238	2.0
117.07030	33.6
117.25213	1.0
119.08586	21.3
121.10155	7.2
123.08065	2.7
123.11699	1.7
128.06210	6.2
129.07018	16.7
130.07787	6.6
131.08578	60.2
133.06493	3.6
133.10139	13.4
135.08073	3.2
135.11703	3.9
137.09663	3.3
141.07013	8.3
142.07756	5.2
143.08559	20.2
144.09367	1.3
145.06506	2.9
145.10132	91.1
146.10503	2.4
147.08051	3.1
147.11691	11.8
149.09532	1.7
149.13327	3.4
154.07811	2.3
155.08557	10.2
156.09393	1.9
157.10149	23.8
159.08078	3.1
159.11697	32.2
159.13042	1.5
161.09628	4.4
161.13242	5.1
163.11188	2.7
163.14873	1.9
165.12755	1.2
167.08580	2.0
168.09296	2.1
169.10133	16.1
171.08157	1.1
171.11703	23.9
173.09677	3.4
173.13283	18.9
175.11256	4.5
175.14856	2.9
182.11038	1.3
183.11700	16.0
185.13235	6.4
187.11194	6.5
187.14818	6.3
189.12767	2.7
197.13274	13.7
199.14812	6.4
201.12790	4.2
201.16393	4.3
209.13150	1.2
210.14095	1.4
211.14848	3.8
213.16382	5.4
215.14359	3.6
215.17955	3.2
229.15982	1.3
229.19479	6.7
234.70383	1.2
239.17975	31.4
257.19034	100.0
257.22659	21.3
258.19363	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19496	1.0
52.37596	0.8
53.03929	1.6
53.19292	0.9
55.01876	1.2
55.05500	4.7
57.07069	1.6
67.05506	11.7
69.07059	5.5
69.84905	4.8
71.04980	3.8
71.16770	0.9
72.08163	2.1
79.05141	0.9
79.05501	10.0
81.07057	11.1
83.08607	2.5
85.06538	3.2
91.05482	14.4
93.07038	18.1
95.04977	5.2
95.08606	12.2
97.06511	1.9
97.10162	1.1
100.26819	0.9
103.05440	1.7
105.07030	31.1
107.08592	19.5
109.06544	5.0
109.10169	12.4
111.08121	2.2
115.05457	3.1
116.06316	0.9
117.07018	14.8
119.08577	24.0
121.06503	1.8
121.10146	98.8
122.10480	1.1
123.08085	4.3
123.11705	2.8
128.06232	4.9
129.07011	10.9
130.07797	1.6
131.08565	24.2
133.07594	2.4
133.09387	0.9
133.10139	8.4
135.08052	15.7
135.11691	3.5
137.09604	4.2
141.06960	3.7
142.07771	5.2
143.07500	1.9
143.08560	25.1
144.09343	1.7
145.10127	34.8
147.08047	1.7
147.11662	3.9
149.09616	5.8
149.13191	1.0
151.11168	1.1
153.06978	1.0
154.07841	1.4
155.08575	6.9
156.09326	3.3
157.08975	1.7
157.10141	22.8
158.10934	1.6
159.08041	1.6
159.11693	17.4
161.09622	1.8
161.13254	3.3
163.11168	4.1
167.08643	1.6
168.09369	2.6
169.10136	15.0
170.10898	1.7
171.11685	17.4
173.09624	1.9
173.13255	18.4
175.11182	2.8
175.14818	1.5
177.12706	2.0
178.00677	0.9
182.10919	1.4
183.11694	12.9
184.12512	1.4
185.13245	2.0
187.11250	4.7
187.14798	4.1
189.12721	1.1
195.11642	2.0
197.13274	9.9
199.14818	37.3
201.12791	5.5
201.16306	1.1
211.14769	2.3
213.16374	12.0
214.17055	2.3
215.14334	2.2
215.17917	5.9
224.15660	1.3
229.15923	1.1
229.19595	1.9
239.17947	21.4
257.19009	100.0
257.22537	6.1
257.26688	4.2
258.19354	3.0
258.27988	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	257.1902
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03937	1.3
54.91567	1.1
55.01864	1.3
55.05503	3.8
56.18822	1.4
57.07066	2.7
67.05518	7.0
69.07076	5.8
69.70394	2.0
69.70804	4.1
71.04986	3.4
79.05486	7.8
81.07056	6.2
83.04981	1.8
83.08616	2.6
85.06554	3.1
90.18771	1.2
91.05480	9.0
93.07043	14.9
95.04977	5.0
95.08620	11.0
97.06523	2.1
103.05460	2.0
105.06331	1.6
105.07031	28.3
107.08598	14.1
109.06521	4.8
109.10156	11.6
111.08074	2.3
115.05457	1.9
117.07024	5.2
117.56113	1.1
119.08587	26.5
121.10150	79.4
122.10535	1.1
123.08042	2.6
123.11688	1.8
124.63666	1.1
128.06221	3.2
129.07011	4.9
131.08580	13.2
133.07574	2.0
133.10124	10.6
135.08072	14.3
135.11711	2.6
137.09610	4.7
141.06940	1.8
142.07771	7.6
142.59590	1.0
143.08571	20.5
144.09349	1.4
145.10126	19.4
146.07616	1.1
147.08139	1.3
147.11655	3.8
149.09636	4.0
151.11180	1.9
155.08572	6.3
156.09369	4.3
157.10138	25.7
158.10892	3.5
159.08101	2.1
159.11688	21.6
161.09618	3.0
161.13287	3.9
163.11172	5.0
167.08546	2.1
167.66957	1.1
168.09346	2.7
169.10120	10.9
170.10951	2.4
171.11656	12.7
173.09625	2.2
173.13274	25.8
174.14034	2.2
175.11194	2.8
175.14848	2.8
177.12758	3.0
181.10118	1.4
183.11739	11.9
184.12463	3.1
185.13258	4.8
187.11189	6.7
187.14830	4.9
189.12802	1.1
195.11636	1.8
196.12555	1.6
197.13219	10.0
199.14833	37.5
201.12735	7.8
209.13199	1.5
210.13966	1.5
211.14896	1.5
213.16414	10.5
214.17200	3.2
215.14345	3.6
215.17967	8.6
224.15643	2.1
239.17918	14.1
257.19019	100.0
257.26669	3.7
258.27942	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	257.1902
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03939	1.4
55.01868	1.1
55.05516	9.6
57.03444	1.6
57.07069	3.1
58.07396	0.7
61.50666	0.7
65.03934	1.8
67.05509	25.0
69.03455	0.7
69.07075	6.9
70.06583	3.7
71.04983	1.9
71.06915	1.6
71.24093	1.3
72.08151	1.3
79.05499	12.3
81.07064	20.7
83.04976	1.4
83.08619	5.4
85.06548	2.0
87.91840	0.8
88.07632	3.4
91.04904	1.5
91.05482	25.6
93.07058	10.3
95.04965	2.2
95.08604	14.0
97.06534	2.6
97.10191	1.7
99.08124	1.1
102.09184	2.5
103.05476	2.3
105.07037	21.6
107.04945	1.1
107.08604	8.1
109.06539	1.3
109.10162	6.6
111.08057	0.9
111.11727	1.6
115.05447	4.6
116.06216	2.8
117.07027	58.6
119.07813	1.4
119.08597	15.1
121.10134	6.5
123.08035	1.9
123.11668	1.1
128.06239	6.4
129.07013	27.5
129.14729	0.8
130.07826	4.9
131.08578	100.0
132.08919	0.8
133.06519	2.3
133.10152	9.1
135.08058	2.2
135.11708	3.0
139.11284	0.8
140.06874	2.0
141.06996	10.8
142.07816	5.4
143.08572	23.7
144.09338	1.3
145.06480	3.1
145.10133	85.0
147.08069	2.3
147.11711	6.5
149.13295	1.9
151.01935	1.8
153.06949	2.1
154.07785	1.8
155.08563	9.5
156.09354	1.5
157.10141	38.6
159.08063	3.2
159.11705	30.8
161.09671	1.7
161.13266	4.5
167.08568	1.3
168.09303	2.0
169.10146	17.8
170.10670	1.1
171.11702	34.6
173.09641	2.3
173.13287	15.1
175.11229	3.1
175.14801	1.7
181.10188	1.2
182.11029	2.0
183.10112	1.0
183.11699	18.5
184.89622	0.8
185.13298	6.6
187.11183	2.2
187.14798	4.3
189.12666	1.0
197.13255	16.2
199.14851	4.0
201.12802	1.8
201.16481	2.4
210.14146	1.1
211.11040	0.8
211.14870	4.7
213.16321	5.3
215.14296	1.5
215.17986	1.7
218.87489	0.9
229.19565	4.7
239.17964	34.1
257.19028	73.6
257.22580	8.7
257.26675	25.5
257.94275	3.1
258.19409	1.1
266.72546	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1902
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03917	1.0
55.05511	11.6
57.03424	1.4
57.07034	1.3
66.53104	0.9
67.05508	30.1
67.05874	1.5
69.07070	7.9
71.04984	4.3
71.50893	1.6
72.08173	2.2
74.27424	1.3
77.03929	1.3
79.05513	9.5
81.07060	22.7
83.04978	1.3
83.08620	3.5
85.06554	3.1
89.06824	0.9
91.05487	25.2
93.07061	7.0
95.08624	9.6
97.06538	2.1
97.10157	2.1
103.05392	1.2
105.07046	16.7
107.08617	4.5
109.06541	1.0
109.10180	5.6
111.08058	1.2
115.05455	8.0
116.06239	4.5
117.07025	55.8
119.08588	6.6
121.10156	3.8
128.06219	10.9
129.07014	47.8
130.07808	3.2
131.08577	100.0
133.06488	2.1
133.10136	11.6
135.11665	1.3
137.09647	1.3
141.06992	22.5
142.07813	7.7
143.08562	30.5
144.09309	0.9
145.06456	1.8
145.10135	69.7
147.08096	1.9
147.11659	4.8
149.09673	1.2
149.13329	1.1
152.62119	1.2
153.06963	1.1
154.07770	4.8
155.08575	18.6
156.09320	1.5
157.10132	36.7
159.08086	6.6
159.11700	46.5
161.09586	1.6
161.13310	2.1
167.08586	2.7
168.09367	3.5
169.10127	22.9
170.10915	1.2
171.11699	43.3
171.13170	2.5
173.09645	2.4
173.13271	22.1
175.11189	4.5
175.14783	1.1
181.10094	1.2
183.11707	39.5
185.13319	7.2
187.11140	2.4
187.14799	3.1
189.12733	1.7
195.11696	1.7
197.13268	28.1
199.15010	2.3
201.12886	1.2
201.16399	3.4
210.13985	1.1
211.14760	5.8
215.14267	1.7
229.19521	3.3
239.15436	1.3
239.17950	43.5
257.19025	59.4
257.22562	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	257.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01869	2.0
55.05512	7.5
57.03162	0.7
57.03443	12.7
59.05000	0.7
65.03952	0.9
66.55464	0.6
67.05508	48.5
69.03436	1.4
69.07062	3.4
69.38702	5.3
70.06586	2.8
70.53822	0.6
71.05003	3.8
72.08163	7.6
79.05492	7.0
81.07061	38.7
83.04978	1.9
83.08608	1.0
84.04484	0.6
84.08148	2.0
85.06556	2.4
86.09711	1.3
87.04478	0.7
91.05483	4.0
93.07045	7.8
95.04974	4.7
95.08610	18.9
97.06525	1.1
98.06049	2.1
99.04454	1.7
99.08109	2.3
103.05472	0.7
105.03378	0.8
105.07030	2.5
107.04927	0.6
107.08607	4.2
109.06487	3.7
109.10162	100.0
110.99042	0.6
111.04437	1.6
111.08104	1.2
112.08750	0.8
115.08707	0.9
119.08574	8.0
120.08952	0.7
121.10161	1.2
123.04451	0.7
123.08016	1.0
125.05988	2.8
127.07558	0.9
133.10109	1.1
137.09622	95.0
138.09993	1.2
140.06992	0.7
143.08574	0.8
145.10124	1.3
147.04454	0.8
147.08057	2.6
155.04892	0.8
155.10670	9.2
157.10124	0.9
165.09126	49.6
169.25713	0.8
175.14752	0.6
183.10190	3.9
197.13226	0.9
199.14822	1.5
201.11244	2.7
229.04985	0.8
239.12775	7.1
239.18271	2.2
240.11185	0.9
257.04443	3.6
257.08017	1.5
257.13861	32.4
257.19339	3.2
257.22574	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
54.76623	0.7
55.01866	3.4
55.05270	0.8
55.05517	9.6
55.05767	1.2
55.95206	0.6
57.03439	15.2
57.07069	1.0
65.03944	1.7
67.05508	52.7
69.03453	3.6
69.07071	7.4
69.84766	3.4
70.06586	3.3
71.05000	5.4
72.08154	8.3
73.08495	1.1
79.05495	9.6
81.03413	0.9
81.07059	34.1
83.04969	1.6
83.08615	3.1
84.08139	1.5
85.02893	0.9
85.06542	2.1
86.18624	0.7
91.05479	9.7
93.07042	14.4
95.04977	5.3
95.08614	31.2
97.06527	2.8
97.10164	0.8
98.06059	2.7
99.04443	2.2
99.08105	3.0
101.06028	1.7
103.05431	0.8
105.07043	3.5
105.71464	0.7
107.05019	0.7
107.08598	4.7
109.06534	4.2
109.10162	100.0
110.10515	1.2
111.04475	1.5
111.08086	2.7
112.08722	1.3
112.11323	0.6
113.06001	1.5
116.07130	0.8
117.07021	1.2
119.07273	0.7
119.08579	14.6
121.06532	0.7
121.10178	2.7
123.04423	1.0
123.08060	2.5
125.05978	2.5
127.03882	1.0
129.07013	1.0
131.08571	1.7
133.10103	1.8
135.08020	0.7
137.06067	1.7
137.09621	99.5
138.09976	1.6
139.11194	0.7
140.06932	0.8
143.08545	1.0
145.10133	1.2
147.07977	3.7
149.05988	0.7
150.06749	1.0
155.10678	11.9
159.11736	1.6
161.13237	2.1
165.09117	47.6
171.11679	1.3
173.13319	1.0
175.14865	2.1
183.10196	4.3
183.11584	0.8
185.13242	1.7
190.01810	0.8
199.14854	1.1
200.04686	0.8
201.09377	1.1
201.11246	3.9
203.14377	1.9
204.04932	0.7
221.15352	2.9
229.08679	1.1
239.12769	8.1
239.16339	1.7
257.04510	1.6
257.08063	2.9
257.13849	32.1
257.19128	2.9
257.22556	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	256.1658
Annotation	L-Pyrrolysine
Peak:m/z	Relative Intensity
55.05521	1.3
56.05033	2.9
60.05614	0.4
68.05036	1.0
70.06596	100.0
70.93513	0.8
70.93866	0.6
72.08163	14.3
81.07068	0.8
84.08144	0.8
86.09717	0.5
91.05531	0.4
95.06087	0.8
96.04530	0.5
96.08143	1.7
98.06084	1.0
98.09700	5.9
108.05307	0.4
110.07175	0.5
110.09675	0.5
113.07133	1.2
114.05544	0.6
115.08713	0.5
116.07103	16.8
138.53749	0.4
139.08673	5.2
141.10229	7.0
143.11807	2.7
150.12773	1.1
153.10275	0.6
167.11781	0.7
167.15445	1.1
168.13895	0.4
178.12401	0.4
181.13379	5.4
185.09225	11.2
192.14957	1.3
193.13368	9.5
195.14951	1.5
196.13359	1.0
197.20889	0.4
210.16032	36.4
212.17519	0.8
213.16002	3.3
213.77739	0.6
228.18214	0.5
239.13870	3.6
256.16577	18.3
257.17178	0.5
257.98804	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1285
Annotation	Albonoursin
Peak:m/z	Relative Intensity
53.03936	1.3
55.05503	2.0
56.30294	0.8
57.03421	0.8
57.07056	1.0
65.03941	6.3
65.50838	0.8
67.05502	4.7
69.07054	2.0
70.06567	0.7
71.23959	1.2
72.08135	1.6
79.05486	2.9
81.07052	5.7
82.02953	1.1
82.08434	0.7
83.08585	0.9
89.95309	0.8
91.05488	2.6
92.05005	6.9
93.07026	2.6
93.12349	0.7
94.06562	1.5
95.04948	1.5
95.08613	5.2
102.69286	0.8
105.07019	3.0
107.08569	3.3
109.10152	2.1
110.06061	1.2
117.57901	0.7
118.10632	0.7
119.08566	2.7
120.04480	4.3
121.06522	0.7
121.10124	1.6
122.06020	3.5
123.49776	0.7
128.06248	0.9
129.06975	1.8
130.06543	0.8
131.07336	0.8
131.08583	2.2
132.08131	1.3
133.10158	1.6
134.06035	0.9
135.06779	0.9
135.11703	1.2
136.07599	2.1
136.58105	0.7
141.06873	0.9
142.07814	1.1
143.08539	1.4
144.08122	1.8
145.08923	1.4
145.10132	3.5
146.05983	1.5
147.11691	1.4
154.06503	3.1
154.07645	0.9
155.07262	1.1
156.06885	1.0
156.08083	2.3
157.10135	1.9
158.05972	1.7
158.09572	1.2
159.09174	1.2
159.11661	2.3
160.07573	2.5
161.13251	1.9
168.06841	1.5
168.08115	3.7
169.08879	6.9
169.10103	1.8
170.06020	1.8
170.09633	1.3
171.09198	2.5
171.10443	1.3
171.11697	1.7
172.07535	2.1
172.09940	3.6
173.07056	1.4
173.13266	2.0
174.09120	1.7
182.05994	1.8
183.06822	2.3
183.09198	2.7
184.07668	5.3
184.11218	8.5
185.07106	3.3
185.10735	6.6
186.11511	11.7
186.12987	1.5
187.08687	1.9
187.14813	2.0
194.09659	1.5
196.07654	2.2
196.09898	1.6
197.08377	10.3
199.08623	8.2
199.14824	2.0
200.09427	17.8
201.10237	5.1
201.13882	15.7
201.16403	1.4
211.08627	2.9
211.12260	2.0
212.10718	15.5
213.06628	12.1
213.10167	12.8
214.07376	3.0
214.10860	11.9
222.64412	0.7
224.09418	2.1
227.08162	12.2
227.11728	1.1
228.08913	30.8
229.09813	26.6
229.13341	50.7
230.13715	1.0
239.11855	4.7
240.10239	3.4
241.09715	22.9
242.10522	42.3
257.12866	100.0
257.22650	8.6
258.13309	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	256.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94749	0.9
55.05508	1.2
56.05031	4.1
61.04046	3.9
66.47749	1.0
68.05041	0.9
70.06591	2.0
70.15528	1.6
70.15926	2.2
71.08640	12.5
72.08161	6.0
81.04549	6.1
81.07053	2.0
82.07388	1.3
83.03724	1.2
83.06110	97.5
84.04518	1.5
94.07433	1.2
95.08594	0.9
97.04036	1.4
98.06064	70.3
99.08107	7.6
109.04012	42.3
115.08698	3.7
126.06647	100.0
141.06596	9.8
158.09256	33.6
181.13318	4.7
182.91435	1.0
192.14636	1.5
196.13374	1.6
217.07069	1.0
224.13986	4.4
231.06358	1.0
256.16599	1.7
256.26263	1.7
274.30447	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1659
Annotation	L-Pyrrolysine
Peak:m/z	Relative Intensity
53.03955	0.6
55.05511	1.2
55.99849	0.3
56.05046	2.2
65.62712	0.4
66.36464	0.3
66.41753	0.4
66.68787	0.4
68.05025	0.8
69.07068	0.6
69.60967	2.0
70.06597	100.0
72.08160	11.7
79.05507	0.4
81.07058	1.0
82.02961	0.6
82.06577	0.4
83.08613	0.4
84.08112	0.6
92.26359	0.3
95.52662	0.4
96.04501	0.8
96.08118	2.2
98.06047	1.3
98.09698	5.2
98.97636	0.4
108.08128	0.7
110.09686	0.8
112.07618	0.4
113.07157	1.2
114.05524	0.4
116.07103	17.5
139.08679	5.9
139.95435	0.3
141.10226	7.4
143.11795	3.4
150.12778	0.9
153.10263	1.0
167.11874	0.8
167.15436	1.0
168.13925	0.6
181.13358	5.4
185.09233	12.2
185.10820	0.7
192.14987	1.6
193.13365	9.8
195.15019	1.4
196.13327	1.1
210.16028	40.9
211.16272	0.4
212.17609	0.7
213.15956	2.6
238.15482	0.6
239.13916	3.7
256.16592	21.9
256.18930	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50592	1.1
53.03930	1.7
55.05273	1.8
55.05514	24.2
57.03424	2.7
57.07076	23.3
59.93155	1.0
60.77436	1.2
67.05181	1.5
67.05506	15.3
69.07070	32.7
70.06594	3.0
71.04979	3.4
71.08634	14.4
71.50900	1.6
72.08169	1.6
79.05495	10.7
81.07056	30.2
82.03741	1.3
83.04977	2.7
83.08175	1.5
83.08624	21.4
84.08120	1.2
85.06535	1.8
85.10183	6.2
88.07639	3.6
91.05481	8.4
93.07042	20.9
95.07996	1.2
95.08604	22.6
97.05959	1.3
97.06493	6.3
97.10179	13.9
98.98470	36.1
99.08076	2.6
102.09161	2.1
103.05502	1.2
105.07038	14.0
107.08599	17.0
109.10149	14.8
111.08072	4.5
111.11707	4.0
115.07553	2.1
117.06984	2.1
119.08592	13.9
121.10134	12.6
123.11733	6.6
124.87557	1.2
125.09633	6.2
125.13194	1.4
127.03968	1.4
128.06241	1.9
129.06999	5.1
131.08597	7.5
133.10133	7.9
135.07988	1.3
135.11703	16.0
137.13223	2.2
139.11153	5.4
141.12770	1.4
142.07755	4.6
143.08560	15.1
144.09329	2.8
145.10132	14.9
147.11710	7.2
149.13274	10.3
153.12682	3.7
156.09335	3.4
157.10139	23.5
159.11670	11.9
161.13239	5.6
163.07640	1.2
163.14828	6.6
167.14326	3.4
169.10149	2.7
170.10870	2.2
171.11699	12.6
173.13284	6.5
177.16408	1.6
181.10081	1.4
181.15840	1.9
183.11676	1.7
185.13278	20.3
187.14813	1.9
197.13243	3.0
199.11148	1.5
199.14839	28.0
200.15344	1.7
209.89099	1.4
211.14854	2.0
212.15480	1.2
213.16405	14.1
219.21071	11.0
227.17984	2.4
227.53966	1.3
237.16426	1.4
237.22136	5.4
249.37318	1.2
255.13721	2.3
255.17564	5.3
255.21083	100.0
256.21506	2.0
256.26334	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.5
55.05272	2.6
55.05515	35.5
57.03426	4.4
57.07079	35.5
59.01093	1.9
66.90966	2.5
67.05237	1.9
67.05518	21.3
69.07076	56.1
70.06601	5.3
71.04967	4.1
71.08635	19.3
71.50699	4.1
72.08138	3.3
79.05499	19.2
80.35286	2.2
81.07063	41.0
83.04983	6.3
83.08633	40.9
84.08112	2.5
85.06522	5.2
85.10180	9.2
88.07660	3.9
91.05485	10.9
93.07057	33.2
94.29102	2.3
95.08621	37.5
97.06541	15.8
97.10184	23.0
98.98476	61.2
100.98900	2.5
102.09185	6.2
105.07059	17.6
107.08602	31.3
109.10152	17.0
111.08076	6.4
111.11718	6.8
113.09655	3.4
117.07006	3.5
119.08586	15.8
121.10168	18.2
123.11707	10.8
125.09644	10.1
127.11076	2.3
128.06218	3.3
129.07018	4.9
129.09172	2.5
131.08591	10.4
133.10133	8.1
135.11719	26.3
139.11166	6.9
141.07016	3.0
142.07748	3.3
143.08597	12.1
145.10141	16.1
147.11674	6.5
149.13318	15.8
153.12769	6.8
155.08580	3.7
156.09387	6.1
157.10143	24.8
159.11717	16.5
161.13303	8.9
163.14864	12.0
167.08446	2.5
167.14247	4.0
169.10028	4.3
171.11746	15.3
173.13277	8.0
177.16371	2.4
181.10095	3.1
185.13286	17.8
196.10036	2.2
197.13248	5.0
199.14845	28.0
211.14821	3.6
213.16432	12.3
219.21129	21.7
227.17905	4.9
237.22188	8.2
255.10072	2.8
255.13916	4.2
255.17577	16.2
255.21118	100.0
255.25273	6.5
256.21497	2.9
256.26373	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	255.2321
Annotation	Actinopolysporin C
Peak:m/z	Relative Intensity
50.20044	3.5
53.03945	4.9
55.01876	5.3
55.05269	4.7
55.05518	65.2
57.03428	5.6
57.06836	5.0
57.07079	67.5
61.42483	3.8
67.05503	31.3
69.07073	100.0
71.05013	7.3
71.08634	39.5
71.50826	4.1
72.08488	3.9
73.06535	4.1
77.87955	4.5
79.05498	25.3
81.07059	59.1
83.05000	9.0
83.08621	60.5
85.06534	12.9
85.10178	15.3
91.05485	4.8
93.07051	35.6
95.08615	50.1
97.06551	28.7
97.10184	44.8
98.98477	71.6
101.06033	5.3
105.07010	5.4
107.08614	30.3
109.10158	26.2
111.04424	6.5
111.08082	14.5
111.11749	7.3
113.09664	3.9
115.07604	5.7
115.47543	4.0
121.10152	22.9
123.11718	14.4
125.09616	16.1
125.13232	5.4
129.09114	5.4
131.08482	4.9
135.11708	33.3
137.13275	7.9
139.11188	16.2
145.10172	5.7
148.31512	3.7
149.13242	36.6
150.64413	4.0
152.40565	4.2
153.12729	14.3
155.08392	4.7
157.10130	7.0
163.14815	16.6
167.14311	7.5
171.11676	5.3
177.16397	4.6
189.92690	3.8
195.21187	5.7
197.13319	6.2
199.14867	4.7
209.11714	10.8
213.16437	6.1
219.21092	42.9
237.11340	5.1
237.22169	18.4
255.13786	8.0
255.17473	19.4
255.21002	10.4
256.30176	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	255.1746
Annotation	3-Deoxyestrone
Peak:m/z	Relative Intensity
50.64523	1.0
53.03955	2.3
55.01868	2.6
55.05511	7.7
56.03205	1.0
57.03432	2.2
57.07064	2.9
58.04749	1.0
65.03943	1.3
67.05512	7.6
69.03419	3.0
69.07066	10.7
71.04980	4.4
72.08147	1.6
75.34384	1.1
79.05488	9.1
81.03416	2.9
81.07058	10.8
83.04987	7.1
83.08633	7.1
85.02907	1.7
85.06550	1.7
91.05496	7.8
93.07047	17.8
95.04971	2.4
95.08613	7.5
97.02885	1.3
97.06554	7.0
98.98469	24.5
99.04479	1.7
100.98891	1.2
103.05490	1.3
105.07041	14.6
107.04991	1.4
107.08604	12.6
109.02956	1.2
109.06522	8.3
109.10136	4.1
111.04441	4.6
111.08086	1.7
115.05508	2.0
117.07027	4.5
119.08584	14.8
121.06544	1.2
121.10149	5.4
123.08032	1.6
125.09607	2.1
127.03979	1.9
128.06223	2.3
129.06993	3.2
131.08601	6.3
133.06490	8.8
133.10135	8.7
135.08054	9.0
135.11694	4.5
137.09535	1.2
139.07532	1.4
141.07005	5.5
142.07797	5.8
143.08563	18.4
145.10149	6.2
147.08031	2.0
147.11696	2.7
149.09576	3.4
149.13309	1.6
153.06987	2.2
153.09074	1.4
154.07759	2.0
155.08572	10.6
156.09383	8.4
157.10127	15.3
159.11688	7.0
161.09604	1.7
163.07570	2.3
165.07034	5.1
167.08569	10.7
168.09332	3.3
169.10139	21.1
170.10901	3.5
171.07880	1.1
171.11711	12.2
173.09718	1.6
173.13252	2.6
179.08528	1.7
180.09348	2.0
181.10106	6.4
182.10922	14.8
183.11716	7.1
184.12447	1.6
185.09654	1.7
185.13277	8.7
193.10162	3.0
194.10944	2.5
195.11679	11.0
196.12512	5.7
197.13272	53.0
198.13934	2.1
199.11234	9.1
199.14897	3.9
207.11780	6.3
208.12390	2.1
209.13293	3.1
211.14822	28.0
212.15601	9.6
213.12941	5.0
213.16388	27.2
222.14009	7.1
225.12753	1.9
227.14391	2.1
227.17996	2.6
237.16460	13.8
240.15056	4.1
255.17436	100.0
255.21043	15.3
256.17819	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	255.1745
Annotation	3-Deoxyestrone
Peak:m/z	Relative Intensity
55.05511	3.0
67.05498	3.5
69.07068	4.4
71.04993	1.6
71.23595	1.8
77.03967	1.0
79.05511	6.0
81.07060	6.2
83.04979	3.2
84.30756	1.0
91.05479	6.3
93.07058	7.4
94.35839	1.0
95.05003	2.7
95.08598	3.1
97.06534	2.1
98.98457	10.5
105.07034	8.1
107.08601	6.4
109.06532	2.5
117.07029	3.3
119.08596	13.3
119.09386	1.8
121.10149	2.1
123.08044	1.9
128.06248	2.6
129.07014	3.7
131.08569	5.2
133.10139	6.7
135.08081	4.5
135.11674	2.4
141.07019	3.0
142.07748	5.6
143.08580	12.0
145.10147	5.9
147.08069	1.7
147.11690	1.1
153.06920	1.7
154.07736	1.5
155.08600	8.8
156.09354	10.9
157.10144	19.1
158.10847	1.9
159.08070	1.8
159.11707	6.6
161.09641	3.0
163.11227	1.2
165.07027	1.9
166.07811	1.9
167.08612	5.6
168.09351	1.8
169.10126	13.5
170.10954	4.3
171.08044	1.1
171.11700	26.2
172.12373	1.4
173.09647	3.1
173.13315	3.5
175.11241	2.1
179.08580	2.2
180.09346	2.3
181.10141	6.8
182.10913	9.8
183.08127	1.2
183.11729	7.7
184.12465	1.8
185.09673	4.9
185.13286	7.4
187.11192	2.7
193.10059	4.7
194.10849	1.6
195.11754	10.7
196.12418	5.4
197.13275	42.0
198.13989	3.2
199.11214	11.1
199.14824	1.5
201.59470	1.2
207.11716	8.5
208.12465	2.3
209.13275	3.8
211.11215	2.4
211.14804	10.0
212.11992	1.4
212.15594	9.5
213.12894	8.1
213.16386	24.8
214.13486	2.5
222.14012	6.7
225.12759	3.7
227.14398	2.5
227.17932	3.3
237.16414	14.9
240.15099	3.4
255.17471	100.0
255.21016	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	255.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	16.4
55.05518	29.2
56.32870	5.5
57.03429	13.7
57.07063	7.8
67.05511	45.6
69.03433	9.9
69.07067	18.1
70.06589	14.4
71.04986	21.2
71.28718	9.0
72.08147	17.2
79.05489	44.7
81.07067	57.9
83.04997	13.4
83.08617	14.9
85.06536	16.5
87.04481	41.0
91.05494	34.4
93.07049	50.6
95.04955	13.6
95.08617	36.8
97.06527	14.0
98.97548	7.5
98.97828	8.2
98.98472	100.0
99.04469	6.7
105.07038	27.8
107.04955	14.1
107.08593	45.5
109.06496	8.3
109.10180	19.9
111.04449	6.6
111.08095	7.0
115.03932	19.7
117.07005	21.5
119.08591	25.0
120.08107	4.9
121.06517	8.8
121.10163	19.8
123.04462	7.6
123.11709	17.6
125.05979	8.7
125.09644	26.8
128.06279	8.4
129.06990	11.9
130.06558	8.7
131.08557	22.2
133.10130	23.1
135.08066	16.6
135.10712	9.3
135.11691	10.7
143.08563	14.3
145.10109	23.0
145.51077	5.7
147.11719	8.0
149.09642	14.3
153.05544	7.4
153.09163	14.9
155.08569	8.3
157.10132	15.8
159.08092	7.1
159.11650	20.0
163.07564	14.2
171.11685	7.3
173.13333	14.0
177.09070	8.6
182.10909	7.2
183.11731	8.8
185.13243	9.3
191.14325	13.3
195.10121	5.9
197.13280	13.9
199.14859	14.3
213.11147	6.2
213.16336	7.7
219.13748	15.7
227.11792	8.3
237.14856	26.5
247.29126	6.2
255.12238	7.5
255.17828	41.6
255.21098	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	255.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04756	1.1
50.95767	1.1
53.03939	3.7
55.01873	32.1
55.05513	15.3
55.32076	1.2
57.03183	1.8
57.03438	13.7
57.22348	1.1
65.03941	1.9
67.05179	1.9
67.05508	23.4
69.03432	3.4
69.07071	10.7
70.06575	1.2
71.04990	4.6
71.50939	1.8
72.08151	4.3
73.02940	1.8
74.75892	1.0
79.05499	56.1
81.03416	4.8
81.07065	29.5
83.04996	10.0
83.08605	3.5
84.08114	2.1
85.02918	8.0
85.06528	2.4
87.04469	3.0
91.04915	1.9
91.05488	38.8
93.07050	54.0
95.04948	3.2
95.08617	11.2
97.02895	4.2
97.06559	6.1
97.10181	10.8
98.06016	1.7
98.98473	36.8
99.04472	3.4
99.08100	1.5
100.98888	2.4
101.02428	1.8
103.05496	2.0
105.03410	1.3
105.07020	8.7
107.04965	22.0
107.08600	67.6
109.06521	3.8
109.10154	3.6
111.04446	12.0
111.08096	3.2
115.05453	4.5
117.06224	2.2
117.07023	28.1
119.04971	1.3
119.06130	1.3
119.08585	7.3
121.06509	7.3
121.10149	2.3
123.04424	1.5
123.08054	1.9
123.11700	1.5
125.06001	1.5
125.09637	87.6
128.06160	1.4
129.05521	1.5
129.06995	1.8
131.08566	3.4
133.10144	3.5
134.83328	1.2
135.08061	58.4
135.11688	2.1
136.08337	1.3
137.05998	2.5
139.07555	1.6
143.08546	3.6
145.06509	6.8
145.10130	2.9
147.11650	2.9
153.09109	82.5
155.08572	1.6
155.10674	1.2
156.09377	1.6
157.10170	4.5
159.11684	4.3
161.09723	1.5
163.07555	23.8
167.07037	1.2
171.10266	2.9
171.11732	5.1
173.13254	2.9
181.08614	18.8
181.10110	1.4
183.11745	2.0
185.13289	3.6
197.13197	2.9
199.09630	4.6
199.14885	2.6
211.14810	1.6
213.16260	1.9
227.17953	1.6
255.12288	100.0
255.17256	7.2
255.21074	16.3
256.12451	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	255.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.2
53.83882	2.1
55.01627	3.4
55.01876	36.2
55.05511	19.7
56.96580	2.9
57.03439	17.9
57.07067	2.9
65.03940	3.3
65.27200	1.9
67.05508	23.9
69.03426	5.6
69.07091	10.5
70.06586	2.1
71.04984	6.5
72.08150	5.0
72.93800	1.8
73.02904	2.0
79.05499	72.8
81.03416	7.5
81.07063	30.5
83.04970	8.8
83.08624	4.7
84.08137	3.0
85.02895	8.1
85.06565	2.4
87.04473	2.8
91.05487	59.8
93.07047	67.7
93.07641	3.8
95.04968	8.5
95.08611	14.9
97.02906	2.6
97.06543	15.8
97.10182	10.7
98.97519	2.8
98.98470	48.0
99.01963	1.9
99.04455	5.2
101.02342	3.1
103.05468	4.3
105.07032	13.6
105.28481	1.8
107.04963	40.4
107.08601	72.9
109.06511	6.8
109.10161	5.8
110.07164	2.2
111.04448	11.9
111.08086	3.9
113.06041	2.8
115.05448	7.6
117.06234	3.9
117.07025	51.2
119.04968	3.3
119.08592	12.2
121.06525	11.5
121.10107	4.1
125.05976	8.7
125.09637	77.5
131.08578	6.2
133.06516	3.4
133.10138	5.7
135.08063	100.0
135.11711	4.6
137.09628	4.0
139.07568	11.8
143.08574	6.6
145.06493	15.8
145.10132	8.3
146.70090	2.3
147.11682	3.2
153.09116	80.2
155.06017	2.7
157.10136	8.2
159.11699	6.3
161.09686	2.4
163.07542	42.2
167.07097	4.1
167.08527	3.4
169.10104	5.8
171.11697	6.8
173.13225	4.4
181.08667	16.9
181.10098	3.8
182.10938	3.8
183.11729	5.0
185.13287	5.4
191.14319	7.9
197.13234	20.5
199.09692	9.0
199.14792	4.9
207.11682	2.5
211.14856	5.7
212.94017	2.2
213.16440	10.9
218.33499	2.5
219.13823	6.0
237.11304	3.4
245.74039	2.1
255.12296	95.3
255.17664	24.1
255.21080	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	255.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26988	0.4
55.01873	2.3
55.05507	0.8
56.05045	0.6
56.96556	0.9
57.03446	3.8
58.06618	0.6
58.99858	1.2
61.02930	1.2
61.35587	0.4
63.18277	0.4
66.43698	0.5
67.05508	0.5
68.05021	0.6
68.98285	1.1
69.03427	1.8
69.07056	0.8
70.06593	12.9
70.99878	0.7
71.01361	1.1
71.48682	0.5
72.08155	3.2
73.02911	2.3
78.03454	1.2
78.73323	0.5
80.05025	3.3
81.07042	0.9
82.01417	0.5
82.99876	1.0
83.06099	0.7
84.04510	0.7
84.08142	2.6
85.02911	2.5
86.09711	7.8
87.04490	0.6
91.02480	0.6
95.06108	1.4
96.04499	1.2
97.02893	1.9
97.06527	0.7
97.07684	0.6
98.06046	0.9
98.97592	0.7
98.98473	1.6
99.02954	0.7
100.02503	0.5
101.00887	6.2
102.00943	1.1
102.05604	0.6
105.00375	0.5
106.02918	6.7
110.07182	6.7
111.07524	1.2
112.08722	0.5
113.00871	1.9
115.02444	1.3
115.03928	1.3
117.03988	1.2
118.03494	0.5
119.01926	8.5
120.02044	1.9
120.08115	1.0
121.01678	0.6
123.05560	100.0
124.03927	1.3
124.05936	1.1
126.04024	0.5
126.09148	0.6
127.02433	1.1
128.05554	0.8
129.03998	0.7
129.10266	0.8
130.03551	0.6
131.01909	4.2
132.02188	0.5
132.05107	0.6
133.01707	1.0
133.03479	1.4
133.04932	2.7
135.03270	0.5
135.05069	0.6
136.07590	0.5
137.02939	1.6
142.03491	0.5
143.01939	2.0
143.03534	0.6
144.99820	0.8
145.03505	2.7
149.02979	1.5
151.04514	0.6
154.03523	1.0
155.01871	1.5
156.05074	2.3
156.07701	2.3
156.97507	1.7
157.03517	0.6
158.06656	0.7
159.01358	0.6
161.02966	5.9
162.06062	0.5
163.04578	0.5
164.12680	0.9
168.08664	0.8
171.01315	0.4
172.04594	2.1
173.01491	0.8
173.02962	4.1
173.08018	0.5
174.06140	4.7
175.00938	1.1
176.07661	1.3
177.01053	0.6
177.02489	2.2
179.03908	0.7
179.07533	0.5
182.06628	1.3
183.05080	0.5
185.03017	0.7
186.09778	5.7
187.04588	0.7
190.05664	0.7
191.02437	0.5
191.04007	1.1
192.07271	2.6
192.08745	0.5
195.03545	0.8
196.08203	0.8
196.11578	1.1
201.06091	0.6
204.10823	1.3
209.08583	0.5
209.14755	1.8
210.06168	3.2
212.07619	0.7
213.02475	1.3
214.02600	1.4
214.05721	0.9
214.09244	7.5
215.04120	0.7
219.01962	0.6
227.00343	1.0
227.04051	1.8
228.07172	3.4
232.03670	1.5
232.10303	12.9
233.05150	0.8
243.05403	0.8
245.05087	1.3
255.03552	4.1
255.15443	1.9
255.21060	0.7
256.03809	0.8
256.06683	7.2
273.04703	1.3
273.13055	1.2
274.07864	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	255.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87997	1.1
55.01870	2.9
57.03446	3.7
57.72678	1.3
58.99870	1.5
61.02928	1.4
65.22340	1.3
67.61008	1.2
68.98278	1.4
69.03436	3.2
70.06598	4.9
70.74287	2.4
70.74650	3.2
70.99828	1.5
71.01367	1.7
71.10963	1.0
73.02930	1.9
74.09677	1.8
74.25271	1.3
77.83575	1.3
78.03465	2.1
80.05013	3.0
84.08149	1.3
85.02917	3.8
85.80491	1.4
96.04460	1.3
96.92792	1.7
97.01370	1.7
97.02882	2.8
98.98471	3.2
101.00887	4.8
106.02924	5.0
110.07185	3.1
112.13013	1.1
115.02447	3.8
115.03928	1.4
115.36206	1.2
117.04023	1.7
119.01920	5.3
120.02001	1.2
123.05562	100.0
124.03951	4.5
126.98839	2.0
130.88243	1.4
131.01877	2.8
133.03444	1.9
137.03036	1.3
138.05545	2.6
143.01956	7.9
144.99864	6.3
145.03497	2.6
149.18213	1.2
158.06543	2.6
159.01445	1.5
161.02977	17.3
163.04564	1.4
172.99283	1.8
173.02946	1.7
176.07697	9.1
177.02499	2.0
177.07799	1.5
189.02443	1.6
213.02509	1.8
227.03946	3.1
233.01469	3.3
245.01257	1.7
245.05167	3.0
251.02560	1.8
255.03503	5.9
255.06236	2.7
256.03085	4.0
273.13004	6.4
274.04208	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	254.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34757	0.6
55.05503	3.7
56.05030	1.8
56.96561	1.3
57.03428	1.4
58.99857	0.8
60.04515	2.3
67.05493	1.0
68.05025	2.6
69.03413	1.0
69.55222	3.7
70.06598	32.9
71.01331	1.3
72.08158	9.7
72.15462	0.6
73.02892	0.8
74.09715	0.7
79.05502	3.5
80.05014	1.0
81.03414	1.0
81.04527	2.2
81.07063	12.9
82.05321	2.2
82.06585	1.2
82.99847	1.8
83.04999	0.7
83.06111	14.0
84.04504	2.0
84.08144	4.4
85.02889	2.2
86.09689	1.4
91.05489	1.0
93.04540	10.6
93.07042	0.9
94.06571	1.3
95.05032	1.3
95.05522	1.1
95.06101	20.9
96.04491	1.0
96.08124	0.8
97.02881	0.8
97.07660	1.7
98.05424	1.6
98.06062	28.4
98.98462	1.6
99.06798	0.8
101.00889	11.1
102.00931	0.7
103.05466	1.0
104.05851	1.0
106.02914	0.9
106.06568	0.8
107.04965	0.9
107.06073	1.7
108.08118	1.0
110.07174	76.3
111.05555	2.6
111.07451	0.7
112.07585	1.1
112.08723	3.3
113.00809	1.0
114.05521	0.9
115.03986	0.7
117.40646	0.6
119.01939	22.0
119.02802	1.2
119.04966	1.1
119.06045	1.3
120.02029	1.0
120.08115	13.5
121.07628	6.8
121.08448	18.1
122.09659	2.5
123.04538	1.1
123.05542	8.7
125.07129	19.8
126.09136	1.1
128.05623	0.8
129.10237	1.0
131.01891	1.8
133.03467	0.9
134.06020	1.8
135.06796	1.4
136.06158	0.7
136.07602	1.1
137.02954	3.7
138.09169	1.1
138.10274	0.9
140.05569	0.8
142.03542	1.7
143.01944	1.9
145.03488	1.2
145.04999	0.9
147.04398	0.9
148.07582	2.8
151.05704	0.8
155.08170	1.2
156.05069	1.2
156.07709	4.0
156.97481	1.1
157.05116	0.9
158.06630	1.0
159.02837	1.9
160.04593	1.4
161.02997	1.1
163.12323	33.2
165.05464	1.4
166.13403	1.6
167.08084	1.2
167.11810	24.6
176.07709	0.9
178.05046	1.7
180.05133	1.0
180.12564	1.7
181.13426	1.7
184.09712	0.9
185.03009	4.3
185.04507	1.0
186.06097	0.8
190.13412	14.3
193.13380	3.2
194.12903	10.5
195.11304	100.0
196.11646	1.1
203.04034	2.0
208.09842	4.8
208.14468	51.0
209.12935	2.3
210.16083	1.2
211.10703	1.7
212.04005	0.8
212.07689	0.9
213.02422	12.6
213.07565	0.8
214.02599	0.9
219.11377	0.7
220.10754	1.0
226.09277	1.0
228.07167	1.2
231.01389	1.3
231.03496	14.9
236.14087	1.6
237.13544	4.1
249.04506	1.0
254.05112	1.8
254.08997	1.5
254.11275	14.5
254.15552	71.8
255.16339	0.8
272.06375	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2164
Annotation	Hydnocarpic acid
Peak:m/z	Relative Intensity
55.01881	3.8
55.05272	5.6
55.05519	71.9
56.03218	3.8
57.07066	15.0
67.05183	6.0
67.05513	64.7
69.07077	99.6
69.57423	17.0
69.57838	9.4
69.82066	3.2
71.04994	10.2
71.08617	4.7
71.38027	3.2
75.07512	3.7
77.95627	3.8
79.05501	30.6
81.06593	6.9
81.07063	100.0
83.04987	7.5
83.08630	69.0
85.06544	8.7
89.01255	3.3
91.05492	28.4
93.07054	46.3
95.04937	4.0
95.08617	91.5
97.06533	11.5
97.10186	47.9
98.20816	7.1
98.98480	76.7
99.08103	11.1
102.85960	3.6
105.07050	30.0
107.08592	27.3
109.06509	4.6
109.10155	39.0
111.08099	10.7
111.11722	19.6
113.09693	3.6
119.08618	23.3
121.10155	42.6
123.11694	19.7
125.13218	5.3
133.10149	28.0
135.11739	37.1
135.96310	4.7
137.09624	11.4
137.13261	10.4
139.11168	11.4
147.11717	23.6
149.13266	13.2
151.11212	10.8
151.14801	7.7
153.12782	8.4
160.15993	3.8
161.13281	14.4
165.12737	7.7
169.10159	4.6
175.14839	6.7
179.14339	6.5
182.10822	3.7
189.16454	4.4
193.19547	7.9
197.13274	8.4
202.61871	4.0
207.97026	3.6
210.01051	4.2
211.14833	8.8
217.19550	44.5
235.20618	31.3
253.19455	13.2
253.21712	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	254.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44810	2.4
56.53840	2.6
57.63818	2.5
61.02919	9.1
70.11207	9.8
71.01356	8.0
75.04478	22.0
82.06544	2.7
87.04461	4.9
89.02410	6.0
98.21427	3.3
103.03943	24.7
119.06075	34.5
119.29655	2.4
131.03415	7.0
134.06041	3.1
137.07193	4.0
147.05524	8.2
148.03983	3.5
148.06348	6.4
149.07129	33.5
150.05530	11.3
152.07030	4.6
159.02901	59.2
159.04141	4.7
165.06613	61.3
166.07272	3.8
167.08134	4.2
187.02419	4.4
209.64191	2.8
210.12436	8.1
219.05013	100.0
230.87044	2.7
254.11375	81.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03203	2.6
54.67338	2.5
61.02924	7.6
70.17338	11.1
71.01349	11.5
75.04482	20.2
87.04454	5.8
89.02398	3.5
103.03950	23.1
118.55367	2.4
119.06032	6.8
131.03400	6.0
132.08168	2.5
149.07062	4.0
159.02898	69.8
165.06580	11.1
187.02390	4.2
207.09322	2.5
219.05006	100.0
254.11349	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	254.1137
Annotation	Pyricarbate
Peak:m/z	Relative Intensity
63.31845	0.7
64.98650	0.8
67.05492	0.6
70.93481	0.6
71.02299	1.5
80.05007	1.0
82.06585	1.3
92.04991	2.1
94.06544	2.9
98.98431	0.8
99.94067	0.6
109.07667	0.9
110.06050	2.3
119.06074	45.5
121.07642	2.3
122.06026	2.2
133.87915	0.7
134.06026	5.8
135.05550	1.2
137.07108	7.3
138.05521	2.5
147.05574	6.6
148.03902	4.0
148.06332	9.7
149.07114	49.2
150.05507	11.3
152.07068	7.7
159.02960	0.7
161.07185	0.8
165.06615	88.9
166.07394	4.8
167.08165	6.4
210.12378	10.0
217.40288	0.8
219.04936	0.9
236.10417	1.3
254.11380	100.0
255.11736	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1803
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
50.05453	0.9
53.03933	1.7
55.01865	1.5
55.05513	7.8
57.03425	3.1
57.07079	4.2
59.04758	1.0
59.05004	12.0
61.02924	1.0
62.96450	0.9
63.22417	0.7
65.03928	1.8
67.05186	1.0
67.05506	15.1
69.03425	3.6
69.06736	1.0
69.07074	16.1
69.69016	1.5
69.69421	4.2
70.06573	2.3
71.01339	1.8
71.04984	3.6
71.08617	0.8
72.08149	1.4
73.04095	0.8
75.02739	0.7
79.05083	1.0
79.05501	14.5
81.03409	1.1
81.07058	25.1
83.04977	4.2
83.08628	5.8
85.02885	1.0
85.06538	3.0
91.05483	16.1
91.18153	0.8
93.07050	51.5
95.04973	100.0
95.08610	24.0
97.06552	5.0
97.10151	1.0
98.98472	71.5
99.08067	1.5
101.05938	0.9
105.07036	23.9
107.04971	2.1
107.08599	59.6
109.06532	9.6
109.10161	22.5
111.08080	6.1
113.06009	1.4
115.05405	1.4
117.07021	4.2
119.04860	0.9
119.08596	27.6
121.06538	4.2
121.10151	29.3
123.04427	1.6
123.08076	4.6
123.11720	10.9
125.06037	1.2
125.09655	3.0
129.07008	2.0
131.08588	13.2
133.10138	25.0
135.08060	7.2
135.11707	14.7
137.09607	6.0
137.13278	5.5
139.07521	5.6
139.11151	3.5
141.05469	1.2
142.07773	2.6
143.08566	3.2
145.10117	6.5
146.07162	0.8
147.08047	3.3
147.11702	14.7
148.26318	1.0
149.09644	15.6
149.13264	19.0
151.07599	1.2
151.11194	25.5
151.14798	2.0
153.09119	13.2
157.10146	7.8
158.10988	1.2
158.17592	1.1
159.11673	6.4
161.09619	3.7
161.13264	13.2
163.11153	1.9
163.14838	18.5
165.07025	1.6
165.09062	2.0
165.12807	1.5
165.16379	2.1
167.10675	3.3
171.11703	2.0
173.13286	7.2
174.99178	1.2
175.11171	4.0
175.14833	10.2
176.99055	1.0
177.12729	6.5
179.10712	2.1
179.14331	1.5
183.11671	0.8
187.14864	2.4
189.12715	1.9
189.16402	26.1
191.08481	0.9
191.14297	13.7
192.08662	0.9
193.09200	1.4
193.12271	1.2
193.15891	33.1
195.13850	1.5
197.07886	1.1
199.14799	3.0
205.15887	2.4
207.17459	7.0
209.15395	11.0
217.12300	1.9
217.15942	9.2
221.08725	1.2
223.16908	1.8
235.13266	1.4
235.16937	28.2
253.11282	2.5
253.17990	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	253.1801
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
50.50589	0.9
53.03934	1.8
55.01856	1.0
55.05507	4.7
55.23628	0.8
56.05023	1.0
57.03430	1.3
57.07067	2.3
57.57168	0.9
59.05000	5.5
65.03954	0.9
67.05510	7.8
69.03430	2.3
69.07073	7.6
70.06588	3.9
70.74776	2.1
71.01353	1.1
71.04987	3.5
71.13412	0.9
72.08144	3.5
79.05496	6.5
81.03416	1.3
81.07056	13.8
83.04956	2.6
83.08634	2.2
84.08130	1.8
85.06534	1.4
86.09721	1.8
91.05473	8.9
93.07052	20.4
95.04974	55.6
95.08604	11.3
97.06515	4.1
98.98472	100.0
99.04459	1.3
105.07036	16.9
106.49996	0.9
107.05010	1.0
107.08601	20.4
109.06520	5.5
109.10168	9.4
111.08089	1.7
117.07025	2.0
119.08581	12.5
120.08105	1.7
120.96657	1.1
121.06513	3.0
121.10144	11.1
123.04430	1.2
123.08056	2.3
123.11740	4.8
125.06014	1.2
129.07027	1.6
129.10258	1.3
131.08575	7.0
131.56821	1.0
133.06480	1.2
133.10141	15.4
135.08041	3.4
135.11725	5.4
136.06189	22.0
137.04776	2.0
137.06642	14.0
137.09613	2.0
137.13248	2.0
139.07530	3.0
142.07770	1.6
143.08563	3.8
143.67595	0.9
144.52151	0.9
145.10136	5.6
147.08051	1.3
147.11700	12.4
149.09633	6.4
149.13295	5.8
151.07709	1.0
151.11180	7.2
153.09100	2.6
157.10153	4.3
159.11679	6.3
161.09622	2.8
161.13239	4.0
163.14832	5.8
165.12787	1.0
167.10751	1.4
171.11728	2.3
172.78282	0.9
173.13263	4.8
174.99173	1.6
175.11183	3.4
175.14835	9.0
176.98952	1.6
177.12717	1.6
179.10670	2.1
187.14853	1.9
189.12686	1.9
189.16364	11.6
191.14326	3.3
193.12126	1.2
193.15900	12.2
197.11801	1.3
199.11223	1.3
199.14876	4.5
205.15967	1.2
207.17451	2.9
209.15384	3.1
217.12337	2.3
217.15880	12.5
223.16899	1.3
235.13708	8.0
235.16904	13.0
253.14801	21.2
253.17993	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1437
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
53.03942	3.1
55.01881	5.0
55.05510	9.4
57.03435	3.6
57.07074	2.0
59.05006	0.9
65.03934	2.0
66.19923	1.0
67.05180	1.7
67.05511	24.7
69.03427	3.8
69.07075	6.6
69.14575	3.9
69.15009	6.6
70.06570	1.6
71.05000	10.2
72.08143	1.1
77.03956	1.0
79.05498	30.8
81.03416	1.9
81.07061	53.2
83.04969	7.3
83.08632	3.6
84.08139	2.5
85.06532	4.7
91.05485	43.2
93.07051	43.7
95.04973	19.7
95.08059	1.8
95.08621	18.8
97.06548	13.9
98.98473	79.8
99.04469	9.4
100.11273	1.8
103.05437	1.5
105.04518	1.2
105.07037	39.4
106.20872	0.9
107.04951	7.0
107.08601	23.8
109.06522	38.7
109.10146	7.8
111.04456	1.4
111.08097	4.9
113.06062	4.8
117.07025	5.0
119.04931	1.4
119.08585	18.3
121.06512	100.0
121.10146	4.4
122.06794	1.1
123.04441	5.4
123.08075	6.8
123.11736	2.6
125.05994	4.0
127.07558	11.1
128.06239	4.0
129.07042	4.7
131.08560	6.8
133.06531	4.7
133.10138	35.4
135.04469	6.1
135.08075	12.4
135.11700	3.0
137.05965	5.2
137.09618	1.1
139.07544	19.8
141.05472	3.4
141.06979	2.0
142.07784	3.2
143.06981	1.4
143.07422	1.2
143.08571	12.6
145.06473	1.3
145.10141	7.7
147.08090	5.1
147.11693	29.4
149.09607	1.8
149.13260	1.2
151.07532	2.1
151.11145	4.5
155.08554	2.7
156.09373	4.6
157.06468	1.8
157.08739	1.9
157.10123	13.7
159.08060	1.2
159.11664	1.1
160.08803	1.3
161.06024	2.5
161.09627	6.9
161.13264	14.9
165.06989	3.5
165.12749	7.4
166.07823	4.2
168.13820	1.0
171.08096	1.8
171.11690	17.3
173.09665	3.3
173.13205	1.4
175.11201	17.9
176.98915	1.1
179.10741	1.5
181.10155	5.3
184.08904	3.2
189.12750	25.0
191.10904	1.0
193.12262	17.3
197.11612	1.3
199.11194	37.4
207.13770	9.5
211.13249	1.6
217.12257	75.9
235.13298	29.1
235.16998	2.0
236.65485	0.9
253.08807	1.5
253.14363	27.5
253.18002	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	253.1435
Annotation	Fascicularone A
Peak:m/z	Relative Intensity
53.03947	1.4
55.01871	3.0
55.05512	4.9
56.54078	0.9
57.03440	5.2
57.07075	1.3
67.05506	18.3
68.99776	1.4
69.03413	1.6
69.07064	7.7
71.05001	2.1
71.50607	1.3
72.08190	1.0
79.05493	12.1
81.06602	1.6
81.07066	29.9
83.04970	3.4
83.08616	3.3
85.06538	3.1
91.05484	40.9
93.07059	18.2
95.04983	5.6
95.08176	0.9
95.08619	10.6
95.83755	0.9
97.06517	5.1
98.97602	3.5
98.98471	100.0
99.04456	2.7
100.98933	1.1
105.07034	35.4
107.04999	1.7
107.08595	17.8
109.06519	10.9
109.10147	4.3
111.08088	2.4
113.05991	1.7
116.98636	1.0
116.99484	1.2
117.07027	2.7
119.04931	1.0
119.08594	12.8
121.06536	10.4
121.10152	13.0
123.04391	2.2
123.08026	6.6
123.11714	17.3
125.05981	1.0
127.07557	4.3
128.06223	1.7
129.06990	1.3
131.08611	1.5
133.10135	38.3
135.08011	2.3
135.11659	1.3
137.05933	1.3
137.09584	1.9
137.13283	1.5
139.07553	8.0
141.05499	1.6
141.07056	1.0
142.07796	1.5
143.08546	3.1
143.14468	0.9
145.10117	2.3
147.11696	49.8
148.11992	0.9
151.11166	1.8
157.10117	4.5
158.99687	2.0
159.11667	2.2
161.09619	6.4
161.13223	3.0
165.12755	47.3
165.14163	2.3
169.10132	1.2
171.11702	4.4
175.11197	2.4
176.98949	1.8
178.07846	1.1
179.08511	1.0
179.10690	1.2
181.10081	1.2
183.11693	1.8
183.13802	5.7
186.48763	1.0
189.12804	5.5
193.12241	9.2
195.08073	2.3
197.11775	1.7
199.11151	3.1
201.66039	1.0
207.08154	1.6
207.13808	3.3
217.12259	10.7
222.10408	4.1
223.07497	2.5
229.14453	4.6
235.13290	7.3
238.09891	5.1
253.12109	5.0
253.14374	15.7
253.19498	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	253.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.1
55.01881	5.0
55.05510	9.4
57.03435	3.6
57.07074	2.0
59.05006	0.9
65.03934	2.0
66.19923	1.0
67.05180	1.7
67.05511	24.7
69.03427	3.8
69.07075	6.6
69.14575	3.9
69.15009	6.6
70.06570	1.6
71.05000	10.2
72.08143	1.1
77.03956	1.0
79.05498	30.8
81.03416	1.9
81.07061	53.2
83.04969	7.3
83.08632	3.6
84.08139	2.5
85.06532	4.7
91.05485	43.2
93.07051	43.7
95.04973	19.7
95.08059	1.8
95.08621	18.8
97.06548	13.9
98.98473	79.8
99.04469	9.4
100.11273	1.8
103.05437	1.5
105.04518	1.2
105.07037	39.4
106.20872	0.9
107.04951	7.0
107.08601	23.8
109.06522	38.7
109.10146	7.8
111.04456	1.4
111.08097	4.9
113.06062	4.8
117.07025	5.0
119.04931	1.4
119.08585	18.3
121.06512	100.0
121.10146	4.4
122.06794	1.1
123.04441	5.4
123.08075	6.8
123.11736	2.6
125.05994	4.0
127.07558	11.1
128.06239	4.0
129.07042	4.7
131.08560	6.8
133.06531	4.7
133.10138	35.4
135.04469	6.1
135.08075	12.4
135.11700	3.0
137.05965	5.2
137.09618	1.1
139.07544	19.8
141.05472	3.4
141.06979	2.0
142.07784	3.2
143.06981	1.4
143.07422	1.2
143.08571	12.6
145.06473	1.3
145.10141	7.7
147.08090	5.1
147.11693	29.4
149.09607	1.8
149.13260	1.2
151.07532	2.1
151.11145	4.5
155.08554	2.7
156.09373	4.6
157.06468	1.8
157.08739	1.9
157.10123	13.7
159.08060	1.2
159.11664	1.1
160.08803	1.3
161.06024	2.5
161.09627	6.9
161.13264	14.9
165.06989	3.5
165.12749	7.4
166.07823	4.2
168.13820	1.0
171.08096	1.8
171.11690	17.3
173.09665	3.3
173.13205	1.4
175.11201	17.9
176.98915	1.1
179.10741	1.5
181.10155	5.3
184.08904	3.2
189.12750	25.0
191.10904	1.0
193.12262	17.3
197.11612	1.3
199.11194	37.4
207.13770	9.5
211.13249	1.6
217.12257	75.9
235.13298	29.1
235.16998	2.0
236.65485	0.9
253.08807	1.5
253.14363	27.5
253.18002	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	253.1186
Annotation	Phenylalanylserine
Peak:m/z	Relative Intensity
56.05024	0.6
58.05354	2.7
60.04524	1.6
63.91801	0.4
66.94148	0.3
70.02964	0.5
70.06589	2.0
70.18706	1.7
72.08158	0.8
79.05502	0.5
82.01406	0.4
83.06099	0.6
83.44504	0.4
84.04501	0.8
84.08147	2.5
85.02885	0.6
86.09720	1.6
88.04002	3.5
91.05492	1.8
93.07021	2.2
94.06619	0.5
95.06081	0.7
97.02904	0.5
98.06057	1.4
98.98475	13.4
101.00891	0.4
103.05474	7.2
105.07064	0.7
106.05042	0.9
110.07172	4.9
110.88640	0.3
112.07625	1.4
112.08748	0.5
115.05488	0.7
115.14606	0.4
116.07079	0.4
116.99493	0.4
117.07005	0.5
119.01929	0.5
119.07295	0.5
120.08112	100.0
121.08434	1.2
129.07019	0.8
129.10289	0.7
130.06520	1.2
131.04913	0.6
132.08104	10.6
136.07625	0.8
144.08086	12.2
145.03514	0.5
146.09657	5.8
150.05518	2.6
158.06645	1.1
161.10770	1.3
163.12315	1.2
166.08627	4.0
178.08665	4.1
184.04623	0.5
190.08650	1.4
195.11320	1.1
207.11290	11.7
208.14452	0.9
212.07700	2.4
230.08763	1.4
235.10966	0.6
236.09177	2.1
246.46748	0.4
253.11856	7.8
253.14804	0.5
253.15483	0.4
254.15216	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	251.2007
Annotation	Methyl farnesoate
Peak:m/z	Relative Intensity
53.03939	2.7
53.22985	0.8
55.01859	1.4
55.05515	12.3
57.03438	1.0
57.07067	1.7
59.05005	0.9
61.30732	0.8
65.03934	1.8
67.05508	61.5
69.07072	12.0
70.67879	0.8
70.68227	1.8
71.05009	1.8
77.03969	0.8
79.05022	0.8
79.05495	23.6
81.07059	63.8
83.04974	1.3
83.08625	11.0
85.06529	1.2
91.05495	9.7
93.06482	1.5
93.07050	22.9
94.15113	0.7
95.04977	1.9
95.08611	58.4
95.45277	0.8
97.06531	7.1
97.10172	4.4
98.98472	100.0
99.08105	1.8
105.07042	5.9
107.08601	14.9
109.06516	1.6
109.10163	29.1
111.08114	5.2
113.09684	1.1
116.99525	1.5
117.07013	2.2
119.08593	5.9
121.10153	21.3
123.08099	1.0
123.11719	11.4
125.09631	1.8
131.08609	4.2
133.10139	13.9
135.04433	0.8
135.11703	13.8
137.09622	4.2
137.13278	2.6
139.11198	1.1
145.10159	3.2
147.11690	2.5
149.09627	1.1
149.13228	5.8
151.10112	0.8
151.11147	4.8
159.11676	4.3
161.03259	0.8
163.03935	1.6
163.11272	1.3
171.84795	0.8
173.13295	2.0
174.99265	2.4
177.12810	1.5
181.12228	1.4
187.14851	1.1
191.08522	1.9
195.13820	2.5
207.11862	0.8
215.17982	9.5
233.19002	6.2
251.04668	2.0
251.10716	1.3
251.14136	1.7
251.17999	1.9
251.20108	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80277	1.2
58.06599	5.3
59.07388	2.8
60.08162	1.6
69.03417	2.3
70.06600	14.9
71.07751	2.9
72.08170	8.1
73.87320	1.1
74.09721	1.6
85.02907	5.9
90.08640	1.7
90.09197	26.2
94.93050	2.2
96.92809	3.0
97.02906	2.2
102.09191	45.4
103.09524	7.9
104.22543	1.4
105.10618	1.6
119.92542	8.8
126.87482	1.3
128.05595	2.2
134.11781	100.0
135.11301	1.6
135.12137	20.1
138.38840	1.5
147.69614	1.5
150.91914	1.7
154.03633	1.6
156.05054	2.5
158.06624	1.7
166.03282	2.3
172.04582	2.0
174.06041	1.6
184.04393	1.9
190.99945	2.3
209.00926	29.7
224.07710	2.4
234.98827	2.8
235.09175	1.4
238.03221	4.8
252.01500	37.9
252.04222	2.4
252.07094	2.5
252.14415	12.4
253.01089	1.7
256.04291	2.4
270.05869	3.2
271.11426	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2009
Annotation	Methyl farnesoate
Peak:m/z	Relative Intensity
53.03934	1.4
55.05521	6.5
57.07074	2.4
65.03947	2.5
67.05513	67.9
69.07065	4.4
70.96677	2.3
71.04988	1.9
72.08178	1.1
79.05504	11.3
81.07064	63.4
83.05001	1.3
83.08633	2.8
85.06560	1.0
90.33565	0.9
91.05492	4.2
93.07046	12.5
95.08618	44.5
97.06524	1.9
97.10146	1.1
98.98478	100.0
105.07015	2.4
107.08604	7.7
108.41933	0.8
109.10167	30.1
111.08079	1.3
116.99518	1.3
117.07016	1.2
119.08598	2.7
121.10144	7.0
123.08061	1.4
123.11730	15.9
127.11133	1.1
131.08566	3.8
133.10150	3.8
133.75722	0.8
135.11688	6.9
137.09595	1.2
137.13287	4.1
140.01094	1.1
145.10149	2.9
149.09628	2.7
149.13235	4.3
151.11214	1.2
159.11710	2.7
159.44095	1.0
161.51801	0.8
163.11240	3.1
167.10699	1.2
173.13217	1.5
174.99254	3.8
177.12790	2.8
179.08568	1.3
181.12274	2.2
191.08629	1.3
191.18018	1.4
195.13832	2.1
209.13487	0.9
209.15526	1.8
215.17993	3.6
233.19052	2.2
236.15613	1.2
242.62445	0.8
251.14087	1.6
251.17877	3.9
251.20113	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2007
Annotation	Methyl farnesoate
Peak:m/z	Relative Intensity
53.03949	2.0
55.01870	1.2
55.05519	10.9
57.03460	1.4
57.07080	1.2
59.04996	1.4
62.24518	0.8
63.09995	0.7
63.26853	0.7
65.03934	2.4
67.05511	62.7
69.07072	10.6
70.71983	1.5
70.72320	0.9
71.04998	1.6
79.05497	21.3
81.07062	60.8
83.04987	1.1
83.08616	10.5
85.06559	1.2
88.05288	0.8
91.05484	10.3
93.07054	19.3
95.04962	1.9
95.08615	60.1
97.06534	7.0
97.10155	4.5
98.98476	100.0
99.08092	1.6
105.07035	6.3
107.08601	15.2
109.06500	1.1
109.10168	27.6
111.08094	5.7
116.99509	2.2
117.07033	1.9
119.08595	5.5
121.06528	0.8
121.10156	17.2
123.08105	1.7
123.11709	10.1
125.09649	1.6
126.30873	0.9
131.08563	5.0
133.10133	10.3
135.08083	1.6
135.11714	11.5
137.09639	3.1
137.13260	2.7
139.11188	1.5
145.10197	4.0
147.11705	3.1
149.09659	1.8
149.13324	5.4
151.11205	5.0
159.11690	4.0
163.03923	1.9
163.11198	1.7
173.11774	0.9
173.13226	1.3
174.99248	3.0
177.12770	1.2
181.12282	2.2
187.14740	1.5
191.08588	1.0
195.11819	1.6
195.13821	2.7
209.13388	0.9
215.17964	7.9
233.18996	6.4
251.04729	1.9
251.10652	1.7
251.14140	1.5
251.17889	1.6
251.20087	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	251.1645
Annotation	7-Isobutyryloxythymol methyl ether
Peak:m/z	Relative Intensity
53.03947	1.5
55.05520	2.1
57.03439	0.7
57.07075	2.8
59.05013	1.5
67.05510	7.1
67.19975	0.6
69.03432	1.3
69.07076	2.0
70.53893	0.5
71.05001	42.8
71.50369	1.0
72.08161	1.2
79.05505	4.9
81.03428	1.6
81.07057	9.1
83.04990	8.3
83.08619	1.0
84.08181	0.8
85.06566	1.9
91.05490	3.8
93.07050	4.7
95.04984	8.5
95.06004	0.7
95.08620	6.3
97.06535	6.6
98.98476	100.0
99.04494	1.1
105.07047	3.9
107.04953	0.8
107.08595	6.0
109.06536	2.4
109.10165	4.5
111.08102	1.2
113.06036	1.8
116.99519	0.9
117.07052	1.5
119.08613	3.3
121.06541	2.8
121.10167	6.6
123.08058	3.2
123.11714	2.1
125.06006	26.2
131.08568	1.7
133.10155	1.6
135.08032	1.7
135.11700	2.7
137.09630	1.6
140.01038	0.8
145.06526	0.6
145.10130	3.6
147.08081	0.8
147.11751	1.1
149.09607	4.0
149.13272	0.8
151.07533	4.5
153.09126	0.6
157.10213	1.0
159.11729	1.4
163.03938	1.4
163.11198	32.1
165.09138	1.6
165.12743	1.6
173.13268	0.8
174.99193	3.7
175.11145	0.8
177.09120	2.2
180.23593	0.7
181.12253	13.9
187.14780	0.7
189.12758	1.8
191.08582	1.3
191.14447	0.6
195.10191	1.8
205.15891	0.7
207.13771	1.0
208.08612	0.8
209.13214	1.0
215.14381	1.0
215.17860	0.7
233.15378	6.0
236.08008	1.4
251.10223	2.3
251.16396	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2007
Annotation	roughanic acid
Peak:m/z	Relative Intensity
53.03949	1.5
55.05513	9.4
56.58609	0.6
57.03442	1.6
57.07076	2.6
59.05008	0.9
65.03943	2.3
67.05509	99.0
69.07074	8.0
70.58618	0.6
70.81897	0.9
70.82240	1.4
71.04996	2.9
79.05495	18.3
81.07062	100.0
81.54273	0.6
83.04992	2.7
83.08635	4.9
85.06525	3.0
85.91588	0.6
91.05486	6.2
93.07050	24.3
95.04993	1.5
95.08614	69.7
97.06538	2.3
97.10185	2.3
98.98474	60.3
99.08121	0.9
105.07034	5.3
107.08601	16.4
107.93246	0.6
109.06543	1.9
109.10163	44.4
111.08083	1.1
116.99555	1.6
117.07043	2.6
119.08574	4.9
121.06515	1.7
121.10155	13.6
123.08067	1.4
123.11717	23.0
127.07601	1.1
131.08571	6.4
133.10139	5.3
135.08023	3.4
135.11700	13.5
137.09628	2.3
137.13275	6.5
145.10109	4.9
147.11716	2.1
149.09599	3.8
149.13260	6.8
151.11194	2.0
151.14734	1.3
153.09142	0.9
153.12740	0.8
159.11694	6.7
163.03931	1.0
163.11201	4.3
167.10692	2.8
173.13248	3.0
174.99248	2.2
177.12801	3.5
179.08569	0.8
181.12268	3.5
187.14835	0.8
191.14383	1.5
191.17943	4.2
195.12117	0.9
195.13835	4.5
205.19585	1.5
208.12584	0.7
209.15384	2.8
215.17972	7.0
233.18958	7.1
245.33710	0.6
247.08203	0.6
251.10635	0.8
251.14217	1.3
251.18085	1.9
251.20105	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1645
Annotation	Canusesnol A
Peak:m/z	Relative Intensity
53.03935	1.3
55.01854	1.9
55.05510	4.7
57.07080	6.4
59.04990	3.7
67.05512	9.5
69.03445	5.2
69.07063	4.4
71.04616	1.8
71.05000	31.7
71.29969	2.1
79.05508	6.0
80.47118	0.9
80.97389	1.2
81.03416	1.4
81.07069	11.9
83.04985	6.1
83.08612	2.6
85.06516	3.9
91.05481	7.1
92.80893	0.9
93.06484	1.1
93.07050	10.8
95.04988	8.0
95.08617	9.6
97.06538	7.4
98.97600	4.1
98.98474	100.0
99.04465	1.9
105.07046	10.7
107.04948	1.8
107.08000	0.9
107.08612	11.7
109.06488	4.7
109.10164	9.9
111.08067	4.0
113.06049	4.6
116.10586	0.9
116.98591	1.8
116.99444	1.0
117.07000	2.8
119.08591	15.5
121.06490	3.4
121.10154	13.8
123.08069	8.3
123.11700	4.4
125.05992	14.5
129.07008	0.9
130.44640	0.9
131.08585	6.5
133.06505	1.5
133.10138	4.5
135.08060	2.5
135.11693	2.5
137.08688	1.3
137.09636	18.7
141.07240	0.9
143.08572	1.8
145.10136	10.2
147.08057	24.3
147.11717	7.1
149.09636	6.5
149.13245	2.2
151.07523	4.3
151.11159	1.8
151.14850	2.1
153.09120	1.4
155.08531	1.3
155.10690	1.9
157.10080	1.9
158.99652	1.7
159.11700	1.3
161.13306	0.9
163.03935	1.1
163.09871	1.7
163.11194	28.5
163.14832	1.2
169.10155	0.9
173.09604	2.7
173.13258	1.5
174.99216	2.6
175.11194	4.6
177.00711	0.9
177.09113	1.5
179.08498	1.2
179.14349	9.9
180.08943	1.1
181.12250	6.7
187.11139	0.9
187.14775	3.5
189.12718	1.7
190.09836	0.9
190.11790	0.9
191.08524	1.7
191.14345	4.7
193.12231	1.5
195.10133	2.8
195.11690	2.0
197.13385	1.2
205.15881	2.6
207.13809	3.0
209.13348	1.2
215.14374	5.0
233.15372	18.8
236.07909	4.1
251.10544	6.6
251.16415	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	251.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01428	0.3
55.01865	0.5
55.05507	1.6
57.03428	1.1
57.07063	0.7
59.04990	1.8
59.05252	0.4
62.62771	0.4
62.92387	0.4
67.05518	2.3
67.82903	0.4
68.37094	0.4
69.03428	1.1
69.07069	3.2
70.75536	1.0
71.04987	1.6
72.08139	1.1
77.01543	0.4
79.05499	4.1
81.03411	0.6
81.07067	4.7
82.06437	0.4
83.05009	0.6
83.08599	1.1
84.08161	0.6
85.06528	0.7
86.09721	0.5
91.05483	4.2
93.07049	11.1
95.04972	1.6
95.08604	4.1
97.06541	1.0
97.83450	0.4
98.98475	32.7
99.04442	0.6
105.07043	15.7
107.04975	0.8
107.08600	14.1
109.06524	2.9
109.10157	3.1
111.08099	1.0
117.07018	0.8
119.08585	6.3
121.06499	1.3
121.09338	0.7
121.10158	10.2
123.08061	0.9
123.11746	1.0
124.52316	0.4
131.08588	5.3
133.10144	8.4
135.08072	1.2
135.11690	3.3
137.05956	0.6
137.09688	0.4
139.07535	0.6
141.07060	1.0
143.08586	0.7
145.10126	5.0
147.11711	4.8
149.09636	7.1
149.13277	4.2
151.01343	0.4
151.07567	4.0
151.11174	0.5
153.09077	0.8
157.10149	0.7
158.10927	0.6
159.11702	1.5
161.09674	1.0
161.13255	2.9
163.03937	1.6
163.11171	1.1
163.14835	6.2
163.16109	0.6
165.07022	7.2
166.07823	0.7
167.07124	0.5
167.08585	0.8
167.10681	1.2
171.11703	0.4
173.09639	1.1
173.13289	5.4
174.99263	0.8
175.11197	1.8
177.07013	1.6
177.09189	0.5
177.12764	1.3
177.16415	0.4
178.07880	1.8
179.08592	5.6
180.09363	4.2
181.06531	1.0
181.12270	0.5
187.11267	0.6
187.14851	1.4
189.06995	7.3
189.08560	0.7
190.07787	20.8
191.08568	79.8
191.14296	12.7
192.09050	2.4
193.06491	0.8
193.10513	0.6
193.12254	2.9
194.07343	2.0
195.08058	1.8
200.06200	0.9
201.06989	4.5
202.07784	1.1
203.08546	1.2
204.09406	0.7
205.06465	1.9
205.10164	1.9
205.15906	3.6
207.08148	2.1
207.13875	0.6
208.08849	11.4
215.10663	0.9
215.14374	0.9
217.06488	1.2
218.07271	3.4
219.08072	64.2
220.08763	4.4
221.09583	1.0
221.15300	0.4
223.11217	0.9
223.16994	1.2
229.07639	8.8
233.15340	4.3
235.07579	1.4
236.08345	13.4
237.08549	0.6
251.10693	100.0
251.16341	20.8
252.10899	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	251.1393
Annotation	N-Caffeoylputrescine
Peak:m/z	Relative Intensity
55.05513	0.9
56.05048	0.5
56.84148	0.4
56.96584	0.4
58.06604	0.4
59.55799	0.4
59.92276	0.4
62.40194	0.4
67.05488	0.5
69.07057	0.6
70.06606	4.8
71.49428	0.6
72.08162	35.2
77.01563	0.5
79.05508	1.2
81.07074	0.9
84.04507	2.2
84.08147	4.3
86.09708	3.7
86.80408	0.4
88.03996	1.1
89.03926	4.1
89.10797	16.7
89.75533	0.4
91.05478	1.0
95.04979	0.7
95.06087	0.8
98.06084	0.8
98.98474	100.0
105.07037	0.6
107.04971	2.5
110.07198	1.2
112.07681	0.6
112.08730	0.5
115.08704	1.3
116.07101	0.6
116.99512	1.2
117.03392	7.1
129.10272	1.1
135.04430	14.3
136.06255	0.5
136.07603	0.6
145.02859	14.7
146.06027	2.9
150.05539	0.4
152.04761	0.5
163.03918	92.9
164.04288	1.0
167.46875	0.5
174.99237	3.7
195.10382	0.5
208.59979	0.4
218.14645	0.5
234.11261	12.5
251.06976	0.5
251.13948	17.2
251.16327	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1392
Annotation	N-Caffeoylputrescine
Peak:m/z	Relative Intensity
53.03954	0.5
55.05516	0.9
56.05043	0.6
56.96563	0.9
68.42226	0.5
69.07052	0.5
70.06597	5.4
71.04991	0.7
71.48958	0.7
72.08160	55.1
79.05504	1.2
84.04518	1.1
84.08144	3.9
86.09721	2.4
89.03929	4.0
89.10800	30.6
91.05492	0.7
95.06107	0.8
98.06036	0.9
98.98473	62.3
103.28250	0.5
106.04970	0.7
107.04993	2.4
110.07130	1.0
115.08749	0.9
116.07108	0.8
117.03390	10.9
119.82800	0.5
120.08118	1.2
129.10239	1.3
135.04427	17.7
136.07573	0.9
138.96411	0.6
145.02852	13.6
148.24834	0.5
156.97472	3.2
163.03914	100.0
164.04263	1.3
174.98692	1.8
205.00180	0.7
234.11275	9.8
250.98157	1.4
251.04758	0.6
251.09952	1.0
251.13925	20.3
268.99106	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	4.5
55.01870	7.3
55.05510	5.4
56.05040	17.0
56.96572	4.1
57.03441	15.7
58.06596	4.9
58.99868	5.4
59.04999	7.9
60.04525	2.2
60.05652	2.5
61.01147	6.2
61.02931	25.8
64.73673	1.9
67.05505	3.9
67.99883	2.0
68.05029	12.9
68.98280	3.0
69.03436	37.5
69.07079	3.4
70.06599	59.3
70.98104	1.9
70.99863	4.8
71.04990	7.6
71.06120	10.6
71.06936	3.6
71.48833	2.4
72.08166	57.4
73.02930	21.2
74.06100	11.2
77.00905	4.1
79.05496	3.7
81.03418	14.3
81.04474	2.5
81.07050	3.4
82.01448	24.0
82.03793	2.4
82.06565	3.5
84.04503	9.1
84.08149	47.0
85.02913	60.8
85.08477	2.3
86.03260	5.3
86.09714	20.9
87.04477	7.3
88.03979	2.3
88.04782	2.6
89.00904	3.2
91.02428	2.5
91.03957	3.6
91.05491	4.2
93.04513	2.1
93.07041	2.8
94.06564	7.6
94.93002	2.7
95.06084	5.7
95.08609	2.9
97.02905	39.4
97.06598	2.1
98.03278	4.8
98.97598	5.7
98.98470	35.9
99.04478	6.5
100.02495	44.5
101.00904	13.0
102.00986	4.4
102.02427	2.6
102.05550	4.4
102.09182	6.1
103.00648	6.1
103.02420	4.7
104.05327	14.5
105.00440	2.6
107.04932	2.1
108.04443	1.9
108.97697	2.2
109.02917	12.3
110.07179	55.1
110.07893	4.3
111.02842	2.3
112.08729	5.3
113.00877	8.0
115.02454	14.9
115.03960	3.7
115.08717	5.6
116.02599	3.9
116.07105	3.8
116.98636	3.3
117.02160	3.3
117.04037	9.4
118.03466	12.8
118.08701	2.4
119.01916	21.8
119.03714	2.4
120.02039	4.7
121.01669	9.2
121.53893	2.0
123.04440	4.0
125.04517	3.9
126.09143	3.4
126.98807	13.1
127.02425	3.0
127.03896	12.6
127.83809	1.9
128.05588	3.5
129.03973	5.0
129.10268	12.0
130.05034	3.6
130.08635	2.8
131.01889	13.2
131.04529	2.6
131.54558	5.4
132.02057	6.5
132.04330	2.8
133.01682	6.0
133.03484	19.3
133.07574	2.1
134.03638	4.9
134.11751	14.2
135.03194	6.3
135.05063	4.4
136.05174	3.5
136.07582	10.3
137.04694	2.9
139.02496	3.3
140.04994	8.6
140.55101	17.4
141.03075	2.4
141.03981	2.9
141.04973	6.1
142.03487	2.5
143.01901	10.3
144.02022	4.4
144.99847	26.4
145.01663	5.1
145.03618	10.6
145.04962	7.1
146.03609	3.8
147.01410	6.8
147.03223	4.6
147.05035	6.8
148.03853	5.4
149.02969	2.5
149.04797	3.1
150.05794	3.0
151.02686	2.9
151.03917	2.8
152.04855	2.4
154.03557	3.1
154.98286	3.0
155.01920	6.3
156.02083	4.3
156.05072	7.2
157.01604	2.9
157.03430	8.1
157.09712	2.5
159.03169	2.6
159.05028	12.8
160.05151	6.0
160.08699	17.3
161.02963	14.7
161.05643	25.1
161.55711	4.1
162.03131	4.1
162.09470	4.8
163.00867	3.6
163.02649	5.1
163.03958	20.3
166.06123	2.2
168.01472	14.2
169.57228	3.5
170.06020	16.5
171.01315	3.8
171.04991	6.8
172.05209	4.6
172.10794	3.2
172.99341	39.0
173.02977	6.2
173.04787	4.6
173.06654	3.0
174.54622	4.6
175.02750	5.0
175.04512	7.1
176.93536	30.6
177.00963	5.9
177.02478	9.1
177.04454	3.0
177.06084	10.0
177.99928	5.7
178.06424	3.0
178.13426	3.7
181.56908	2.6
182.08095	3.9
183.05005	2.8
185.02945	8.3
186.03053	6.6
187.00862	8.4
187.04509	2.7
188.08211	2.3
189.03752	4.3
189.06075	5.5
190.06281	3.5
191.00432	17.6
191.03731	2.4
192.59987	4.8
195.07114	7.4
195.08801	2.1
196.00945	100.0
197.01141	4.5
198.11227	2.4
199.04655	2.1
201.02530	3.3
201.05997	2.9
203.04091	4.5
204.04243	5.3
205.01979	4.8
205.03709	4.4
205.10854	33.8
207.62695	4.1
209.03166	3.2
210.02557	3.8
213.07095	2.7
214.02003	33.8
219.02116	6.0
219.07133	11.6
221.05096	8.3
222.05202	6.8
223.04817	6.4
223.15652	2.6
227.04048	2.6
228.03555	44.0
228.07199	3.3
231.07198	4.3
233.01436	2.6
233.10371	16.4
234.11383	4.9
245.05101	3.8
246.04784	4.7
251.04370	2.9
251.09732	3.4
251.11411	19.2
251.14279	9.4
251.16911	5.7
261.08289	8.2
262.08475	12.3
263.08139	7.7
263.37265	2.0
269.05020	3.1
269.12405	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	250.1439
Annotation	Peyophorine
Peak:m/z	Relative Intensity
53.03934	1.8
55.01876	5.4
59.80756	0.7
67.05507	4.1
68.05017	2.8
68.05825	1.0
69.03412	0.8
70.06590	6.6
70.68541	0.7
70.83970	1.5
71.04980	2.6
79.05499	15.1
80.04981	0.7
81.03427	0.9
81.07061	50.1
82.07385	0.9
84.13453	0.7
91.05476	3.2
92.05838	0.7
93.07040	3.4
94.06558	1.3
96.08122	3.6
96.70725	0.8
97.02888	1.8
98.06026	1.3
98.98476	12.3
105.07024	1.2
106.06538	1.2
106.07340	0.8
107.04945	1.3
107.08582	1.9
109.06525	26.3
109.10143	1.5
112.07594	1.6
114.05521	3.0
117.06985	0.8
117.86763	0.7
118.06552	1.2
119.08559	1.4
120.08110	1.7
121.10086	0.8
122.06039	17.4
122.09679	0.8
124.07594	1.0
128.07059	0.8
133.10153	0.8
134.09641	2.9
136.06158	1.2
136.07578	2.1
140.07074	49.2
140.39737	0.8
142.08664	4.1
146.24557	0.7
148.07567	1.8
148.11209	1.7
149.08450	0.8
160.11177	1.0
162.09122	1.5
164.07042	2.0
168.06572	41.4
176.14323	2.2
178.07706	2.0
179.08498	4.8
180.06593	3.6
180.10168	2.0
186.12485	0.8
190.16701	1.7
191.08330	1.2
192.08852	3.3
204.08907	0.8
204.13881	9.1
207.08020	4.8
220.08427	1.9
222.14911	2.7
232.13356	1.0
235.07562	10.1
250.10197	14.7
250.14398	100.0
251.14694	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01874	1.0
55.05521	2.9
56.05043	0.9
56.96566	0.5
57.03439	1.5
60.99163	0.8
61.02928	1.1
63.76879	0.4
64.98628	0.5
67.05498	0.6
69.03436	4.0
69.07062	2.3
69.28715	0.5
69.55535	3.1
70.06599	7.0
71.04977	0.6
71.36219	0.5
72.08161	7.8
73.02912	0.4
73.08492	0.5
76.24010	0.4
81.03423	1.3
81.07071	0.6
84.04500	2.4
84.08163	3.0
85.02911	18.8
86.09709	2.2
88.07637	100.0
89.07941	0.7
89.10832	0.8
91.05476	0.8
93.07070	0.5
95.04980	0.5
95.06076	0.8
95.08602	0.6
97.02897	7.4
98.06041	1.2
98.20694	0.6
98.98473	28.3
105.03426	0.6
109.02882	1.9
110.07185	1.3
112.08694	0.6
112.11240	0.5
115.08643	0.6
116.07114	0.5
118.01279	0.7
118.08655	0.6
127.03950	2.6
129.10307	1.2
130.04980	0.7
134.03633	0.7
136.06212	4.4
136.07579	0.7
145.04996	2.0
147.04491	0.6
148.07582	0.6
162.09099	0.9
163.03955	2.4
164.01784	0.7
174.99240	0.8
177.68813	0.5
179.05391	0.5
186.02209	0.5
206.11839	2.6
228.31372	0.5
233.10214	1.0
250.09047	2.8
250.12743	0.8
250.14847	0.9
250.19141	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
63.55396	0.3
70.04375	0.6
70.04783	0.8
81.89704	0.3
85.55830	0.2
90.76138	0.2
93.07081	0.3
97.02911	0.5
98.98470	2.5
136.06218	0.6
151.05421	0.3
153.07059	0.3
165.07063	1.7
177.06981	1.0
178.06175	0.4
178.07782	12.2
179.08562	35.4
180.09079	0.9
181.06496	0.7
189.06989	5.2
190.07631	1.1
191.08406	3.1
192.08913	7.2
193.06522	1.5
193.10123	0.9
194.10612	0.6
202.07491	0.6
203.08290	1.3
204.08952	0.7
205.06509	0.9
205.10173	0.6
206.07001	0.4
206.13416	0.3
207.08061	39.0
208.08583	0.9
217.06500	6.1
218.07285	1.2
219.07974	1.4
220.08379	4.5
221.05981	1.0
221.09633	1.3
222.10345	0.6
230.07857	0.7
233.09583	0.4
234.06737	0.4
235.07550	82.6
236.07889	1.9
249.09116	1.9
250.09860	100.0
251.10228	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	250.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03267	0.3
56.32690	0.3
59.34948	0.3
60.60226	0.3
70.06567	0.4
70.74966	0.7
70.75312	0.4
81.55653	0.3
89.54539	0.3
91.05448	0.3
97.02876	0.4
98.98467	3.1
120.39028	0.3
125.25096	0.3
126.03458	0.3
165.07030	1.9
177.06932	0.6
178.07791	11.6
179.08566	36.8
180.08969	0.8
181.06546	0.5
189.07001	5.9
190.07550	1.3
191.08449	3.3
192.08911	5.9
193.06541	1.7
193.10207	1.5
194.10706	0.4
202.07611	0.3
203.08327	1.1
204.08977	0.7
205.06496	0.9
205.10097	0.6
207.08061	39.5
208.08461	0.5
217.06476	6.2
218.07242	1.6
219.07965	0.6
220.08363	3.7
221.06021	1.0
221.09561	1.3
222.10176	0.7
230.07957	0.4
233.09404	0.3
235.07550	88.0
236.07863	1.4
249.09158	2.9
250.09865	100.0
251.10219	2.3
255.81012	0.3
265.84167	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1849
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
51.36395	0.9
53.03946	3.1
55.01874	13.0
55.05513	16.4
57.03418	1.7
57.07066	3.9
59.04990	1.1
67.05177	1.6
67.05508	20.1
69.03450	1.7
69.07076	15.9
70.19730	1.1
71.04971	1.8
71.08617	1.1
79.05070	1.6
79.05499	22.2
81.03422	1.4
81.07062	54.8
83.04976	4.4
83.08627	5.6
84.07352	1.1
85.06560	2.2
91.05480	13.2
93.07053	28.7
93.72462	1.0
95.04963	2.8
95.08615	19.9
97.02914	1.2
97.06534	3.0
98.21542	2.5
98.97540	1.1
99.08118	0.9
105.06391	1.7
105.07040	17.3
107.04922	1.2
107.08600	21.2
108.08912	1.0
109.06522	17.8
109.10150	8.3
111.04445	20.1
111.08070	1.8
113.05989	1.8
117.07034	4.3
119.08585	18.4
121.06492	2.3
121.10147	17.5
123.08092	6.1
123.11723	4.5
125.05980	7.7
125.09622	1.2
128.06230	1.9
129.07008	2.4
131.08585	4.6
133.06538	1.7
133.10144	19.8
135.08060	11.4
135.11714	11.8
137.05986	100.0
137.09607	4.4
137.13251	3.3
138.06718	1.1
139.07562	2.1
139.11128	1.2
142.07816	2.4
143.08565	5.2
145.10123	5.0
146.07283	1.8
147.08067	4.9
147.11696	20.5
149.09633	7.2
149.13316	6.1
151.07536	4.8
151.11215	4.9
157.10117	5.2
159.11740	3.3
161.09636	22.2
161.13339	7.0
163.07558	1.4
163.11224	6.7
163.14819	2.4
165.09146	3.5
165.12779	1.6
167.10637	1.3
171.11681	2.8
173.13223	1.5
175.11183	15.4
175.14827	4.6
177.12726	3.1
179.10703	4.8
179.14351	1.6
185.13263	1.0
189.12762	3.5
189.16379	2.1
191.08589	1.7
193.12329	2.8
203.14256	1.9
203.17969	19.1
205.19588	2.8
207.13799	1.6
213.16350	9.3
217.33206	1.0
221.19026	7.4
231.13832	1.8
231.17473	23.8
249.09331	2.2
249.12596	2.1
249.16336	2.0
249.18507	31.0
250.21606	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1853
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03943	7.8
53.62606	1.5
55.05517	18.1
57.75246	1.7
67.05181	2.2
67.05516	25.6
69.07079	15.6
71.04990	4.3
71.28965	2.3
77.03935	3.2
77.67346	1.9
79.05502	100.0
81.07067	34.1
83.04965	2.7
83.08607	7.6
85.06538	4.2
88.38615	1.8
91.05495	42.7
93.07056	87.3
95.04949	6.2
95.08610	24.3
98.59977	1.5
99.08123	1.7
105.04519	3.3
105.07037	25.7
107.08607	41.3
109.06538	2.5
109.10164	7.5
116.09910	1.7
116.51395	1.5
117.07055	5.8
119.08591	23.2
121.06492	2.0
121.09332	3.3
121.10154	45.2
123.08046	4.1
129.07037	4.5
131.08582	3.4
133.10144	23.0
135.08073	4.9
135.11707	38.8
143.08598	3.8
145.10167	4.5
147.08022	3.1
147.11713	19.5
149.09554	3.1
149.13254	8.9
157.10065	2.9
159.11656	1.9
161.09642	4.7
161.13239	2.2
171.11726	5.7
175.11383	3.0
179.10548	2.0
185.13243	2.4
187.14885	2.2
189.12778	2.9
189.16420	7.8
193.12273	4.6
203.14351	3.3
203.17998	2.8
207.13875	4.2
208.70178	1.6
213.16394	9.2
231.17477	6.4
249.18544	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1853
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03952	7.2
55.01862	2.3
55.05267	1.6
55.05515	18.3
56.96584	4.7
57.07072	1.6
65.03947	2.4
67.05509	51.1
69.03424	1.8
69.07066	10.3
69.37212	8.4
71.04996	2.4
71.08613	1.8
72.08150	3.0
74.85802	1.1
79.05499	70.4
80.05771	0.9
81.03417	2.0
81.07062	32.3
83.04967	2.2
83.08616	6.9
85.06533	2.6
91.05489	36.7
93.07051	100.0
94.07415	1.1
95.04967	9.4
95.08616	25.4
96.08912	1.0
97.02888	1.3
97.06535	3.0
97.10175	3.0
98.97589	16.7
99.08086	1.8
102.05142	0.9
105.04523	1.7
105.07029	14.2
106.04160	1.0
106.32636	1.1
107.04951	2.5
107.08604	48.1
108.08920	1.0
109.06519	1.9
109.10159	8.2
111.08125	1.2
116.98654	6.9
117.07044	3.6
119.08594	14.2
121.06535	2.3
121.10153	90.5
122.10412	1.1
123.04496	1.1
123.08063	3.6
123.11738	1.9
125.09566	1.5
129.07008	3.5
131.08583	7.6
132.08081	1.2
133.10133	11.8
134.06018	0.9
134.99672	1.7
135.08066	3.8
135.11702	28.7
135.12715	1.6
137.05974	1.6
137.09634	4.5
142.07800	1.4
143.08583	2.4
145.10136	4.8
147.08038	1.6
147.11716	6.2
148.99065	0.9
149.09607	6.4
149.13251	4.1
151.11212	1.7
153.09169	1.8
154.07803	1.1
157.10098	4.3
158.99660	5.0
159.11737	2.2
161.09630	4.4
161.13338	1.8
163.11157	1.8
165.12695	1.6
167.10664	2.8
171.11684	2.3
175.07544	2.3
175.11191	2.6
175.14828	1.3
177.00761	1.4
177.10442	1.1
178.04973	1.5
179.10657	1.8
185.13290	3.0
187.14786	1.3
189.12817	2.1
189.16423	3.4
191.08583	3.2
193.10219	1.6
193.12210	1.7
198.10870	1.3
202.55679	0.9
203.14291	2.1
203.17981	1.6
207.13858	3.2
213.16406	4.3
219.08110	1.6
219.11879	1.4
231.13789	3.2
231.17470	4.6
231.21072	1.2
232.09845	1.3
234.14137	1.3
249.09238	4.7
249.12666	2.0
249.14861	6.2
249.16583	2.2
249.18538	60.8
249.22192	3.5
250.18678	2.1
253.11095	3.6
255.12907	1.2
268.12225	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1852
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
52.30627	1.0
53.03946	6.4
55.01859	3.2
55.05516	23.7
56.96579	1.1
57.07074	5.5
59.04998	1.9
65.03925	1.9
67.05508	29.0
67.22404	1.3
69.07072	19.3
71.04980	4.7
71.33063	2.2
72.08139	1.3
73.17080	1.0
76.84363	1.1
77.03917	1.6
77.20749	1.0
79.05497	80.3
81.03394	1.9
81.07063	35.1
83.04967	2.1
83.08619	12.9
84.22633	0.9
85.02879	1.2
85.06530	3.3
88.25997	1.0
91.05486	36.6
93.07047	100.0
95.04963	7.0
95.08611	25.3
97.06526	2.9
97.10147	2.9
103.29021	1.1
105.04523	3.3
105.07040	28.5
107.04935	1.2
107.08599	53.6
109.06529	6.0
109.10165	10.0
111.08089	2.3
117.06990	2.8
119.08583	22.2
121.06538	2.5
121.10147	46.3
123.04466	1.1
123.08051	3.2
123.11708	3.5
129.06990	4.2
131.08566	5.4
133.10150	23.4
135.08061	2.3
135.11703	34.5
137.05972	4.5
137.09613	1.9
138.05479	1.8
142.07838	1.5
143.08536	2.5
145.10060	5.8
147.04430	1.1
147.08025	2.7
147.11687	19.2
149.09598	3.5
149.13289	8.7
151.11203	2.0
153.09062	1.9
157.10132	4.7
159.11668	2.9
161.09634	4.7
161.13263	3.8
163.11153	1.9
167.10695	1.5
171.11713	6.5
173.13289	1.5
175.11189	4.7
175.14793	1.1
179.10696	1.6
181.12094	1.0
185.13225	4.1
187.14842	1.8
189.12750	4.0
189.16371	4.8
191.08571	2.4
193.10349	1.1
193.12244	2.7
203.14282	4.0
203.17946	4.3
207.13757	2.6
213.16402	7.1
231.13913	1.4
231.17433	7.1
231.21040	1.3
232.09743	1.6
249.09113	4.0
249.12648	2.1
249.14656	1.9
249.16510	2.4
249.18517	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.1
67.05481	1.2
69.03403	0.9
69.07055	0.7
70.88029	0.4
71.49601	0.6
79.05474	1.5
81.07033	1.2
83.08612	0.5
84.08127	0.3
91.05488	2.1
93.07034	0.9
95.04956	0.8
95.08582	1.0
95.82687	0.3
96.04457	1.0
98.84347	0.4
102.16760	0.3
105.07037	2.1
105.48692	0.4
107.04939	1.2
107.08560	1.2
109.10189	0.3
117.07001	0.6
119.08537	0.7
121.06503	1.4
121.10110	0.6
128.06203	0.6
129.06987	0.8
131.04868	0.4
133.06487	1.5
133.10121	0.9
137.05978	0.5
141.06993	0.7
142.07782	1.1
143.04811	0.6
143.08600	0.9
155.08580	3.6
157.06543	0.4
157.10136	0.6
161.05840	0.4
165.06976	1.7
166.07822	0.5
167.08624	0.6
171.04225	0.6
171.08037	1.1
178.07791	3.6
179.08554	2.8
180.09299	2.2
181.10097	1.9
189.07010	0.5
190.07806	1.1
191.08582	6.3
192.09334	3.2
193.08398	0.5
193.10144	9.0
194.07262	1.2
195.08078	1.3
195.11749	0.5
202.07773	1.2
203.08588	1.1
204.09221	0.6
205.06583	0.6
205.10130	3.5
206.10873	7.4
207.08105	2.7
207.11691	5.7
208.08899	2.9
208.12427	0.6
215.08566	5.2
216.09323	9.3
217.10088	3.2
218.07288	0.6
219.08063	18.3
219.11661	1.6
220.08679	2.2
220.12389	1.7
221.09753	3.8
221.13261	8.7
229.07681	0.5
230.10672	0.5
231.11693	7.9
231.13887	0.8
232.08693	0.7
232.12070	1.1
233.09612	7.8
234.10384	65.8
235.10858	1.8
248.11696	1.6
249.12737	100.0
249.16422	12.0
249.96164	2.0
250.13052	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	249.149
Annotation	(+)-Terrecyclic acid A
Peak:m/z	Relative Intensity
53.03938	4.8
55.01867	6.3
55.05511	14.6
59.05007	69.2
64.47408	3.0
67.05499	10.1
67.36392	2.6
69.03415	9.2
69.07056	9.3
70.06598	13.9
71.04980	6.6
71.49456	3.0
72.08167	35.7
74.13076	2.8
79.05499	12.6
81.07046	10.6
82.67487	2.8
83.04974	5.2
83.08604	4.4
84.04502	3.3
84.08130	9.0
85.06533	2.6
86.09687	12.9
87.04448	3.1
91.05486	41.8
93.07059	13.7
95.04953	7.7
95.08595	7.1
97.02894	8.8
97.06518	8.3
99.04503	3.1
103.05458	6.8
105.03410	3.9
105.07041	31.5
107.04946	9.0
107.08591	13.3
109.02888	2.7
109.06504	5.8
109.10133	8.0
110.07171	11.0
111.04424	3.9
115.05446	6.7
117.07021	12.1
119.03545	3.2
119.08601	45.6
120.08086	7.9
121.06522	15.7
121.10098	5.0
123.04430	2.7
123.08072	5.5
128.06245	11.7
129.06984	15.1
130.06487	3.0
130.07736	3.3
131.04919	7.1
131.08559	9.9
132.05698	9.9
133.02878	7.3
133.06555	4.8
133.10117	21.4
135.04451	3.2
135.08075	70.5
136.05188	3.6
136.06209	59.9
136.07523	6.4
137.05968	6.8
137.09636	14.7
142.07759	3.3
143.08553	9.3
145.06461	5.0
145.10124	18.0
146.06131	3.0
146.07246	11.5
147.08063	100.0
147.11684	8.3
149.09625	26.1
151.03893	3.8
151.07491	5.0
155.08598	5.3
156.09331	5.9
157.10121	7.1
158.07318	6.4
159.08134	15.8
159.11691	8.0
160.08815	10.5
161.05928	2.6
161.09625	65.0
161.13246	5.4
163.07510	4.6
163.11214	6.7
165.09125	19.6
170.10808	3.2
171.08099	5.6
171.11667	3.9
172.08821	7.4
173.09639	48.0
174.10403	13.9
175.07578	18.2
175.11179	34.5
175.14796	6.1
177.09100	4.9
177.12718	2.6
178.05032	16.5
183.08012	4.4
185.13179	5.9
187.07498	2.9
187.11205	14.3
188.11964	14.0
189.09134	12.3
189.12772	55.6
191.10634	2.9
195.11713	2.9
198.10400	10.4
201.12746	9.0
203.14330	33.6
204.10275	5.3
213.12822	21.2
216.11469	4.5
219.13783	8.5
231.13788	38.0
232.09740	13.5
249.11115	8.2
249.12108	8.3
249.14799	98.1
249.17757	4.6
249.18538	5.1
250.09348	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	249.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02457	0.7
55.05516	5.7
56.05043	2.4
56.96578	0.7
57.96074	0.7
60.04554	0.8
61.01143	1.0
65.03947	0.8
67.05514	1.8
69.03434	2.1
69.07079	2.2
70.06603	9.7
71.04995	1.1
71.06647	1.5
72.08163	100.0
73.08508	1.1
74.06071	1.1
77.03957	1.1
79.05508	1.8
81.03445	0.9
81.07064	1.8
83.06081	0.8
84.04518	2.4
84.08171	3.9
85.02901	1.5
86.00656	0.7
86.09708	9.6
86.99030	0.9
91.05497	3.7
93.07050	0.9
95.04965	0.7
95.08646	1.1
97.02876	0.9
98.06070	1.9
98.97570	0.7
99.04459	1.5
99.09237	0.9
103.12386	0.8
104.05389	0.8
105.03403	3.1
105.07034	2.1
106.06549	1.2
107.04941	2.0
107.08588	2.0
108.04480	1.4
109.06498	0.9
109.10150	1.0
110.07171	3.2
115.08772	0.7
117.03397	1.0
117.07027	0.8
118.03729	1.8
119.04954	2.5
119.08582	2.1
120.08118	4.7
121.06534	1.6
127.03915	2.0
127.08677	1.1
129.10291	1.5
130.04990	0.8
132.04466	2.2
132.08101	0.8
133.02876	9.6
133.10164	1.1
134.06029	10.3
135.04390	1.2
135.08043	2.0
136.06203	3.8
136.07600	7.8
137.05968	2.3
143.08580	1.5
144.99550	1.1
145.02838	3.2
145.06522	0.8
145.10109	1.2
146.03180	5.1
147.04410	5.6
147.08008	1.6
147.11523	0.7
150.05511	2.6
151.03886	1.0
151.07524	1.3
157.10136	1.4
158.09641	0.8
160.03949	2.3
161.06046	1.1
161.09602	1.8
162.05524	9.2
163.03952	1.4
163.07523	2.3
175.07516	2.0
175.11206	1.6
176.10716	1.6
177.05473	3.4
178.04956	86.1
179.05368	1.2
183.46661	0.7
185.13220	0.8
186.08992	1.0
189.09062	0.8
190.05000	18.2
193.08508	1.1
203.11946	0.8
203.14299	2.0
204.10217	7.6
207.54065	0.7
217.01587	0.7
221.12880	1.6
231.13652	3.7
232.09709	74.0
233.10094	1.3
249.09457	1.7
249.12440	35.6
249.15120	2.4
249.18451	1.2
250.12863	2.6
267.65811	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.6
55.05521	5.7
56.05048	0.7
62.88924	0.6
67.05514	0.7
69.75386	0.6
70.06593	10.4
70.07649	0.6
70.07980	2.4
72.08157	62.6
77.03928	9.2
79.05506	1.7
84.08154	3.7
86.09692	3.0
89.06021	0.6
89.10815	2.0
91.05493	1.7
95.04982	1.8
97.02895	0.7
98.06046	4.1
99.04506	0.7
99.09238	1.2
104.36163	0.5
105.03394	25.8
105.07059	0.7
106.06563	1.6
107.04955	4.1
110.07203	1.8
115.08704	1.7
115.10152	0.6
118.03741	1.3
118.12248	0.5
120.08141	1.9
122.06084	0.6
123.04430	1.9
127.08686	3.9
133.02858	100.0
134.03191	1.0
134.06023	24.3
135.04396	1.4
136.05301	0.7
136.06204	3.9
136.07552	1.5
145.02884	2.0
146.03169	2.4
148.04823	0.8
150.05501	5.0
151.03886	1.0
156.07629	1.4
161.02327	2.2
162.05492	6.2
163.03877	1.9
171.03035	1.5
176.10754	2.1
177.05455	2.3
177.99654	0.8
178.05026	7.3
190.04924	1.2
199.02510	0.7
204.10208	85.2
205.10562	0.8
217.03435	1.2
221.12862	31.1
231.13676	0.8
232.09697	20.7
249.06927	1.2
249.12378	25.8
249.15479	1.4
250.12888	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	249.0913
Annotation	1-Hydroxy-6-methoxypyrene
Peak:m/z	Relative Intensity
50.95145	0.2
69.44159	0.6
69.44567	1.3
79.05470	0.3
81.07059	0.3
91.05487	0.2
98.21542	0.4
105.07021	0.4
115.05416	0.3
116.59669	0.2
124.87848	0.3
130.52780	0.3
133.10036	0.3
152.06277	0.4
153.07111	0.3
165.07028	2.2
176.06169	0.6
177.06967	0.7
178.07790	9.2
179.08568	1.3
189.06982	6.1
190.07780	14.6
191.08565	74.4
192.08902	1.7
193.06418	0.4
193.10161	4.3
200.06190	0.4
201.06989	3.4
202.07773	7.3
203.08560	8.0
204.09225	0.3
205.06511	2.4
205.10283	0.2
206.07315	0.8
207.08073	1.1
217.06439	0.4
218.07257	1.4
219.08066	41.4
220.08559	1.1
221.05994	0.9
221.09628	2.9
229.07643	7.0
231.08003	2.0
232.08846	0.7
234.06815	0.7
235.07614	1.5
247.07593	0.7
248.08379	0.6
249.09125	100.0
250.09692	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	249.0913
Annotation	1-Hydroxy-6-methoxypyrene
Peak:m/z	Relative Intensity
54.11915	0.2
55.01867	0.3
55.04055	0.2
55.05503	0.2
59.26790	0.2
67.05503	0.6
69.07060	0.3
70.44446	0.8
77.27744	0.3
79.05490	1.1
81.07052	1.0
86.96902	0.2
90.50426	0.2
91.05457	0.8
93.07032	1.1
95.04955	0.6
95.08593	0.8
98.20728	0.3
105.07026	0.7
107.08576	0.7
109.10160	0.4
119.08588	0.7
121.06538	0.3
121.10131	0.4
129.07013	0.2
131.08614	0.3
133.10159	0.5
135.11705	0.3
137.05951	0.3
137.09546	0.3
147.11729	0.3
151.07596	0.2
153.07065	0.3
157.10081	0.3
161.09599	0.2
163.07649	0.3
165.07016	2.5
171.11615	0.3
175.11192	0.3
176.06242	0.4
177.06956	0.9
178.07794	8.7
179.08577	1.1
189.06998	6.1
190.07782	18.1
191.08565	76.9
192.08975	1.9
193.10135	5.4
195.08086	0.3
200.06311	0.4
201.07042	2.9
202.07800	6.5
203.08571	8.7
203.14223	0.3
204.09122	0.3
205.06516	2.1
205.10281	0.3
206.07310	0.8
207.07994	0.7
218.07336	1.5
219.08063	42.5
220.08562	1.0
221.05989	0.8
221.09631	2.6
222.06851	0.3
229.07643	6.5
230.07768	0.3
231.08028	2.1
231.13979	0.3
232.08806	0.4
234.06784	0.4
234.10458	0.3
247.07509	1.0
248.08365	0.5
249.09125	100.0
250.09352	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	249.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.1
55.01871	3.2
55.05513	4.4
57.03445	12.1
57.61831	2.6
61.02921	4.9
67.05493	6.6
68.99794	3.5
69.03432	73.6
69.07061	3.1
69.58514	17.0
71.01362	3.3
71.04984	6.7
73.02886	4.1
79.05486	11.9
81.03427	34.3
81.07043	11.1
83.08617	3.5
85.02911	100.0
87.00827	34.1
87.75494	2.3
89.94021	2.2
91.05482	6.4
93.07054	11.7
95.04952	5.0
95.08597	10.2
96.29655	2.1
97.02895	51.2
97.56646	2.4
99.04459	18.9
101.02383	3.0
105.01868	8.1
105.07027	8.1
107.08572	7.3
109.02908	13.0
109.10110	6.1
119.08575	10.0
121.10157	5.0
127.03928	56.7
131.08580	2.8
133.10115	6.0
135.08078	2.9
135.11690	4.0
137.06035	2.4
137.09663	2.7
145.04936	11.3
145.10164	4.2
147.08118	2.6
159.11731	2.8
175.11188	3.1
187.59286	2.6
191.08568	9.9
219.07947	4.1
231.04895	4.2
231.13863	5.6
231.17444	4.0
249.09163	11.9
249.14630	4.8
249.16743	4.5
249.18579	5.9
249.22028	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	248.151
Annotation	Peramine
Peak:m/z	Relative Intensity
55.05515	0.8
64.26648	0.3
69.96402	1.5
71.04996	52.6
79.05508	1.9
80.24112	0.4
81.07061	6.9
84.08142	0.4
94.83064	0.3
98.20858	0.5
113.09648	12.4
119.03559	1.2
121.05110	0.5
136.06187	11.8
146.04634	6.2
147.06715	0.4
148.06204	1.8
162.07790	1.1
173.07011	1.4
174.07733	3.2
178.04990	0.4
178.07353	0.7
186.07732	1.2
187.08504	0.5
199.09819	1.3
216.12454	93.5
217.12691	1.4
218.79836	0.3
248.15076	100.0
249.15303	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	249.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.6
53.76604	2.0
55.01863	6.3
55.05505	3.7
55.92192	1.8
57.03442	10.7
61.02921	6.7
67.05492	6.7
68.99786	6.4
69.03436	80.8
69.07053	3.5
69.19823	22.7
70.07475	1.8
71.01360	3.4
71.04978	8.0
71.05326	2.0
73.02929	3.0
79.05472	7.7
81.03432	26.9
81.07074	13.3
83.04970	2.3
85.02910	100.0
86.33439	2.1
87.00834	32.3
91.05483	5.7
93.07073	10.1
95.04964	3.8
95.08617	13.0
97.02897	40.5
99.04464	20.3
101.02377	4.0
105.01874	11.9
105.07026	7.7
107.08604	5.6
109.02888	14.2
109.10159	5.3
111.00783	2.3
115.03937	2.8
117.06977	3.3
119.08553	7.8
121.06489	3.4
121.10145	6.2
127.03930	54.6
131.08575	2.9
133.10168	5.6
135.11720	3.9
137.09610	2.3
143.08557	2.5
144.51570	2.0
145.04950	11.2
145.10129	3.3
147.11708	3.1
157.10066	2.5
161.09657	2.5
161.13278	3.0
191.08594	9.1
203.14401	2.4
207.11819	4.6
207.13745	2.5
219.08022	2.9
219.11684	3.0
225.29111	2.2
231.04901	5.0
231.13773	3.2
234.14114	2.8
249.09167	8.9
249.14658	4.5
249.16573	6.2
249.18480	8.2
249.21860	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	248.092
Annotation	N-(4-Coumaroyl)-L-homoserine lactone
Peak:m/z	Relative Intensity
53.03951	0.9
55.01881	0.8
55.05508	1.6
64.80479	0.5
67.05514	1.2
69.07080	1.2
69.40501	3.3
70.06592	2.1
71.04997	82.2
72.05338	0.7
72.08154	4.6
74.97186	0.5
81.03421	2.7
84.04497	1.0
84.08151	3.4
86.09709	6.2
87.10033	0.8
91.05479	0.6
95.04964	0.5
95.06099	0.5
97.06532	1.4
98.20775	1.2
103.05464	0.6
107.08626	0.7
109.02886	2.6
110.07170	1.8
111.92656	0.6
120.08151	3.9
121.08443	1.6
129.10266	0.7
133.02843	0.6
136.07594	0.6
140.07072	0.5
147.04408	2.5
150.07790	2.1
152.07111	3.1
156.07718	1.4
160.03954	5.4
160.07574	0.6
164.07065	0.5
174.09192	0.7
177.05444	1.1
178.05006	100.0
179.05363	1.4
184.09702	1.0
186.09209	0.6
192.10356	0.6
202.08742	1.2
202.10638	0.9
204.10258	0.7
213.08765	0.7
230.08275	0.6
248.09186	57.2
249.09462	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2059
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
53.03933	3.4
55.01865	4.5
55.05514	26.8
57.03436	3.0
57.07063	4.8
59.05009	1.7
65.03923	1.5
67.05504	28.7
69.03412	4.3
69.07073	31.1
70.06577	1.9
71.04980	3.4
71.08659	1.4
73.06535	5.3
73.08076	1.1
75.17989	1.1
79.05498	42.0
81.03416	1.5
81.07054	34.7
83.04966	5.5
83.08621	7.1
85.06534	1.8
91.05491	34.5
93.07047	56.6
95.04986	10.8
95.08064	2.1
95.08615	27.9
97.06517	3.8
97.10179	8.3
98.98470	9.3
103.05441	2.3
105.07040	24.2
107.04957	12.3
107.08601	40.5
109.06519	11.6
109.10162	15.7
111.08051	1.2
115.05462	1.2
117.07020	13.1
119.08588	25.3
121.06510	13.7
121.10143	27.3
123.08071	4.5
123.11694	3.2
125.09579	1.2
129.06976	1.6
130.07829	1.8
131.08578	18.9
133.06487	1.2
133.10144	20.6
135.08072	17.6
135.11707	18.6
137.09618	4.0
137.13272	1.9
143.08577	1.5
145.10136	18.1
147.08031	2.4
147.11691	15.5
149.09666	6.4
149.13269	11.5
151.11140	1.7
159.11696	14.9
161.09624	3.3
161.13274	8.8
163.11182	13.2
163.14815	3.4
165.12714	8.0
173.02066	1.7
173.09612	3.2
173.13254	8.5
175.03952	2.4
175.14874	6.3
177.12756	8.3
177.16379	1.3
179.14284	2.4
187.11166	1.4
187.14793	4.8
189.16342	3.3
191.14305	9.6
201.16370	3.6
203.18089	1.5
205.15877	4.0
205.19576	1.2
219.21045	2.6
229.15900	4.6
229.19516	15.3
232.12537	1.9
247.09669	1.7
247.14845	3.2
247.16939	10.9
247.20584	100.0
247.24644	3.9
248.20856	2.3
262.16589	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	247.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.05518	12.2
57.07081	6.3
65.03920	1.4
67.05243	1.1
67.05511	11.6
69.03417	2.4
69.07070	18.0
71.04987	8.4
79.05501	12.3
81.06666	1.9
81.07068	19.4
83.04972	5.0
83.08630	10.5
84.08938	1.1
85.06547	26.5
91.05484	25.8
93.07052	27.9
95.04969	2.1
95.08614	29.4
97.06536	2.8
97.10163	2.0
98.97595	7.3
105.07034	48.7
107.04930	1.4
107.08598	36.1
108.79256	1.1
109.06505	4.3
109.10169	11.5
111.08076	8.9
113.09020	1.5
113.09662	19.5
116.98630	1.4
117.07027	6.7
119.08588	37.9
121.06500	3.8
121.10151	28.5
121.51211	1.2
123.08070	1.9
123.11707	3.4
129.06985	2.8
130.07803	1.5
131.08577	19.6
133.10138	100.0
135.08029	2.7
135.11690	16.1
137.09618	1.9
137.13112	1.5
139.11171	1.4
143.08586	3.0
145.10127	17.3
146.10822	1.4
147.11688	30.3
149.09628	3.4
149.13271	7.9
151.11211	1.6
158.10896	2.0
158.99654	2.5
159.11696	13.2
161.09537	1.6
161.13245	5.0
163.11182	2.3
163.14873	1.7
171.11713	2.9
173.09659	2.6
173.13263	31.1
175.14888	2.3
177.00726	2.5
177.16341	1.5
183.11720	1.6
185.13243	1.4
187.14828	10.3
189.12692	2.1
189.16388	52.5
191.14323	10.6
201.16383	3.9
203.14226	1.4
203.17844	1.6
211.14697	2.3
229.15898	4.2
229.19527	20.7
230.01854	1.5
243.41562	1.4
247.14844	1.3
247.16928	20.6
247.20593	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.05518	12.2
57.07081	6.3
65.03920	1.4
67.05243	1.1
67.05511	11.6
69.03417	2.4
69.07070	18.0
71.04987	8.4
79.05501	12.3
81.06666	1.9
81.07068	19.4
83.04972	5.0
83.08630	10.5
84.08938	1.1
85.06547	26.5
91.05484	25.8
93.07052	27.9
95.04969	2.1
95.08614	29.4
97.06536	2.8
97.10163	2.0
98.97595	7.3
105.07034	48.7
107.04930	1.4
107.08598	36.1
108.79256	1.1
109.06505	4.3
109.10169	11.5
111.08076	8.9
113.09020	1.5
113.09662	19.5
116.98630	1.4
117.07027	6.7
119.08588	37.9
121.06500	3.8
121.10151	28.5
121.51211	1.2
123.08070	1.9
123.11707	3.4
129.06985	2.8
130.07803	1.5
131.08577	19.6
133.10138	100.0
135.08029	2.7
135.11690	16.1
137.09618	1.9
137.13112	1.5
139.11171	1.4
143.08586	3.0
145.10127	17.3
146.10822	1.4
147.11688	30.3
149.09628	3.4
149.13271	7.9
151.11211	1.6
158.10896	2.0
158.99654	2.5
159.11696	13.2
161.09537	1.6
161.13245	5.0
163.11182	2.3
163.14873	1.7
171.11713	2.9
173.09659	2.6
173.13263	31.1
175.14888	2.3
177.00726	2.5
177.16341	1.5
183.11720	1.6
185.13243	1.4
187.14828	10.3
189.12692	2.1
189.16388	52.5
191.14323	10.6
201.16383	3.9
203.14226	1.4
203.17844	1.6
211.14697	2.3
229.15898	4.2
229.19527	20.7
230.01854	1.5
243.41562	1.4
247.14844	1.3
247.16928	20.6
247.20593	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1696
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03944	3.4
55.01872	2.9
55.05513	10.6
55.13582	1.5
57.03446	1.8
57.07080	2.2
60.79162	1.2
67.05516	12.5
69.03409	2.3
69.07075	13.7
70.06600	1.5
70.86190	3.6
71.04984	3.8
79.05505	18.4
81.07067	18.3
83.04965	2.2
83.08616	2.7
85.06542	2.1
87.04473	4.5
91.05489	39.1
93.07055	19.5
95.04980	4.5
95.08621	12.4
97.06518	4.7
103.05539	2.4
105.07040	53.8
106.08752	1.5
107.04959	4.9
107.08582	13.4
109.06524	4.2
109.10165	3.2
115.05479	1.7
117.07027	11.9
119.08591	33.2
121.06492	6.8
121.10178	8.2
123.08061	2.1
128.06232	1.9
129.07011	4.0
131.08577	27.3
131.27037	1.5
133.06506	1.4
133.10144	32.3
135.08072	6.0
135.11726	1.5
137.09619	2.7
141.06992	4.1
143.08565	12.5
145.09067	2.7
145.10143	41.5
146.10867	2.0
147.08051	3.6
147.11711	20.6
149.09616	5.8
155.08553	5.4
156.09369	4.2
157.10130	4.8
159.08063	3.0
159.11713	11.2
161.09647	1.9
161.13261	8.8
163.11229	4.1
169.10222	7.5
171.11711	14.7
173.09637	3.9
173.13257	5.6
175.11212	3.3
177.09114	1.9
183.11732	4.4
185.13283	5.5
187.11208	6.2
187.14810	12.4
189.12804	7.9
191.10687	2.6
201.12772	1.8
201.16391	17.6
205.15938	1.5
211.14783	11.0
229.12411	1.5
229.13763	2.4
229.15907	41.8
247.16966	100.0
247.24672	16.1
248.17117	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	247.1697
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03932	2.3
54.91262	0.6
55.01859	2.3
55.05517	8.9
55.44703	0.6
57.03428	1.2
57.07084	1.2
59.05000	0.8
62.21706	0.7
64.61972	0.6
65.03930	0.9
67.05176	1.1
67.05508	13.0
69.03422	1.5
69.07071	12.3
69.27137	6.0
70.28647	0.6
71.04987	3.1
72.08140	1.3
73.06551	1.7
79.05498	16.7
81.07066	16.7
83.04965	2.4
83.08620	2.9
84.08139	1.2
84.73387	0.6
85.02893	1.3
85.06534	2.3
86.09690	0.7
87.04466	1.1
91.05487	33.1
93.07053	16.0
95.04981	4.5
95.08613	12.9
97.06548	4.0
98.97545	1.2
99.08033	0.7
103.05473	2.3
105.07037	49.6
107.04942	3.0
107.08605	14.7
109.06515	2.9
109.10170	3.7
111.08086	1.3
111.95589	0.6
115.05457	1.9
115.07507	0.7
117.07024	14.9
119.08588	30.2
120.08096	1.3
121.06525	4.7
121.10148	7.5
123.08069	2.1
125.06000	2.0
127.37365	0.6
128.06215	1.4
129.07034	5.9
130.07776	1.8
131.08582	24.9
133.06512	1.5
133.10139	27.5
135.08057	7.9
135.11696	2.8
137.09641	2.2
141.06979	2.5
142.07790	1.3
143.08575	7.0
145.06581	1.0
145.10132	39.9
146.10710	1.2
147.08051	2.1
147.11703	12.2
149.09610	6.6
149.13298	1.2
151.07602	0.9
151.11156	1.6
153.09128	0.8
154.07735	0.9
155.08565	2.9
156.09349	0.8
157.10136	4.5
158.10930	1.4
159.08089	3.7
159.11699	11.9
160.12407	0.8
161.09621	2.7
161.13290	2.6
163.07579	0.9
163.11159	3.8
165.09108	1.4
169.10126	7.3
170.10886	1.0
171.11700	2.3
173.09660	5.8
173.13284	10.1
175.11215	0.8
175.14771	0.7
176.54234	0.8
177.09076	1.5
181.10112	1.4
183.11652	3.2
185.13251	5.8
187.11223	5.6
187.12744	0.7
187.13068	0.8
187.14838	11.2
189.12737	1.6
191.10680	2.4
196.12498	1.9
201.12778	2.4
201.16396	12.3
203.14279	1.1
205.10423	0.8
205.12259	2.4
211.14824	9.4
219.17525	1.1
229.12364	1.3
229.15897	17.7
229.19554	1.6
247.09784	1.9
247.16954	100.0
248.17287	1.8
264.60843	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1694
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03947	2.8
55.05508	10.2
67.05510	17.3
68.00124	1.7
69.07058	9.6
69.20812	3.1
69.21226	11.7
79.05495	32.7
81.07064	26.2
83.05003	2.2
83.08612	3.0
91.05489	33.3
93.07042	32.3
95.04933	2.5
95.08617	16.1
97.06512	3.1
98.98483	3.0
103.05469	1.9
105.07033	32.8
107.04948	4.8
107.08592	15.4
109.06503	3.4
109.10151	6.8
111.08044	1.5
115.05465	1.9
116.06249	2.1
117.07024	19.1
119.07806	2.5
119.08586	26.3
121.06497	3.0
121.10146	10.5
123.11749	1.5
125.05966	2.1
129.06973	5.6
130.07768	2.2
131.07596	3.0
131.08571	53.4
133.10139	25.9
135.11688	2.7
141.06961	3.1
143.08568	4.0
144.23224	1.6
145.09070	2.7
145.10129	37.4
147.07990	1.9
147.11691	8.6
149.09639	16.8
153.09094	2.1
155.08632	2.6
157.10098	7.0
159.08136	2.4
159.10461	2.4
159.11707	28.7
163.11162	2.0
169.10130	4.0
171.11595	2.2
173.09682	2.0
173.13266	21.7
177.09119	2.8
183.11740	3.3
185.13260	10.1
187.11180	4.1
187.14835	3.0
188.57881	1.6
199.14812	1.7
201.16383	100.0
205.12292	2.0
211.14796	6.5
217.10239	2.0
219.11803	1.6
229.12383	1.6
229.15887	31.1
231.07799	1.8
232.08688	3.8
247.11151	4.8
247.14874	4.1
247.16957	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	247.1696
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03946	6.0
55.05508	26.2
57.03427	5.3
57.07076	8.3
59.08610	3.4
65.03921	4.2
67.05511	34.7
69.03428	9.0
69.07068	21.0
69.98418	6.5
69.98821	13.7
71.05009	9.8
75.63326	3.7
78.48409	3.7
79.05504	44.7
81.03436	4.0
81.07059	56.9
83.05004	10.0
83.08615	13.8
85.06535	8.0
91.05492	52.7
93.07050	66.6
95.04962	14.1
95.08623	40.0
97.06503	8.3
98.98485	7.1
99.08122	6.9
103.05433	4.2
105.07040	53.0
107.04952	8.3
107.08606	63.4
109.06531	19.2
109.10151	16.2
115.05491	3.5
117.06271	3.9
117.07000	17.8
119.08605	44.6
121.06520	27.6
121.10172	28.7
123.08069	16.0
123.11675	4.1
125.09642	24.6
129.06960	7.3
130.07756	4.7
131.08559	29.9
133.10149	31.3
135.08058	18.3
135.11693	13.8
137.09601	7.0
142.10922	3.4
143.08583	10.1
144.09291	3.5
145.10138	57.4
147.08034	11.6
147.11696	24.6
149.05923	4.0
149.09569	9.5
149.13268	8.7
151.11241	6.8
155.08598	5.3
156.09280	7.0
157.10173	8.0
159.11705	25.7
161.09630	6.4
161.13263	14.9
163.11191	8.9
169.10106	9.7
171.11703	15.9
173.09697	8.6
173.13245	14.3
175.14799	6.7
177.09122	4.7
177.12701	4.1
181.10001	3.9
185.13219	6.5
187.11172	8.7
187.14833	12.1
189.12769	14.8
191.10722	6.6
191.14189	4.0
201.12668	9.4
201.16437	18.2
205.16002	9.7
210.37820	3.9
211.14828	12.7
214.13487	4.8
217.10107	6.3
227.72940	4.4
229.12369	3.7
229.15866	26.4
229.19534	14.8
247.09419	7.0
247.13065	8.1
247.14819	6.1
247.16953	100.0
247.20590	57.5
247.24634	13.6
248.09096	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	247.1331
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
50.97820	1.0
53.03941	5.0
55.01871	3.7
55.05513	9.7
57.03437	1.0
57.07080	2.6
59.05003	1.4
65.03934	5.4
66.44196	1.0
67.05509	10.0
69.03432	20.6
69.07076	6.4
69.84789	5.3
71.04988	3.3
72.08166	1.0
79.05490	14.2
81.07057	19.9
83.04975	18.7
83.08601	1.7
85.06536	8.1
91.05482	27.2
93.03410	4.3
93.07048	19.0
95.04958	4.6
95.08614	11.8
97.02894	7.7
97.06534	3.3
98.21489	2.0
98.97588	1.8
103.05469	3.2
105.07035	32.2
107.04964	3.2
107.08598	21.6
109.02886	12.1
109.06518	10.5
109.10149	7.2
111.04440	6.1
111.08075	3.2
115.05470	3.7
117.07024	13.2
119.05023	1.4
119.08585	30.8
120.08127	1.1
121.02872	3.8
121.06508	19.1
121.10133	9.9
123.08074	2.7
125.06026	1.2
125.09561	2.3
128.06248	5.3
129.07018	8.1
130.07762	3.1
131.04898	1.4
131.08574	23.6
131.10732	1.1
132.05722	3.9
133.06523	2.3
133.10124	17.9
135.08064	28.0
135.10751	1.2
135.11661	4.9
137.05940	4.6
137.09628	3.4
139.03928	2.6
139.07521	1.0
139.80061	0.9
141.06966	2.1
142.07800	2.7
143.08551	12.6
144.05688	1.0
144.09354	8.6
145.06485	12.0
145.10135	24.4
146.07309	1.6
147.08087	6.2
147.11693	9.1
149.06033	1.1
149.09628	25.1
149.13264	2.4
150.10367	2.3
151.07567	1.5
151.11179	4.0
153.07024	2.0
153.09091	2.8
155.08549	6.7
156.09369	1.3
157.06459	1.8
157.10138	5.5
158.07260	2.8
158.10936	10.1
159.08057	12.9
159.11688	32.3
160.08879	4.7
161.09633	7.3
161.13271	4.3
163.07544	22.2
163.11186	3.6
164.53859	1.1
165.09116	2.6
168.09369	6.1
169.10188	5.3
170.10905	5.6
171.08014	7.3
171.11745	2.4
172.08835	18.1
173.05963	1.6
173.09633	28.6
173.13263	36.5
175.07571	1.8
175.11206	1.9
177.09123	1.9
177.12706	1.6
178.07838	1.4
181.06508	2.2
183.11714	11.6
185.09637	2.3
185.13260	4.4
186.10402	25.8
187.07724	2.0
187.11189	100.0
189.09010	2.5
191.07040	42.5
191.10677	1.9
196.08833	7.3
199.07538	2.1
201.12753	54.5
201.16353	8.5
203.14348	1.6
203.17923	1.3
205.12219	7.4
209.91061	1.0
211.11206	9.9
211.14835	2.8
214.09856	3.0
219.13805	4.3
229.12242	60.5
229.15611	6.6
229.19518	2.8
247.13300	84.3
247.16953	25.4
247.20543	11.7
248.13451	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	247.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
70.05766	5.7
70.06586	2.2
71.32323	1.1
72.08146	2.0
86.09702	3.6
88.03999	1.7
101.00866	8.2
110.19296	1.2
115.00712	1.3
118.08655	6.9
119.01911	4.3
130.09727	1.7
131.59227	1.2
132.10213	1.6
133.03450	2.2
135.03201	1.3
139.88283	1.3
157.01126	1.3
169.01033	2.0
183.13387	1.4
187.00858	2.1
215.00510	3.1
220.92085	2.0
225.15778	1.2
229.03210	35.1
235.55426	1.2
247.04276	100.0
248.04706	1.4
268.34656	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1863
Annotation	NH-DVal(NMe)-Val-OMe
Peak:m/z	Relative Intensity
52.37774	0.4
58.35778	0.3
64.54355	0.3
68.02924	0.3
69.07068	0.6
70.06580	0.6
70.71265	0.9
86.09711	100.0
87.10061	0.6
98.80152	0.3
115.75201	0.3
132.10219	4.2
133.17297	0.4
142.03217	0.4
163.08478	0.3
194.42090	0.3
199.18095	1.2
218.08095	0.4
231.54025	0.4
245.18640	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1903
Annotation	(-)-Falcarinol
Peak:m/z	Relative Intensity
53.03933	0.6
55.05508	2.1
67.05506	4.0
69.07069	1.8
69.27740	0.9
69.28152	2.6
70.06562	0.6
79.05506	3.4
81.06588	0.7
81.07060	11.1
83.04995	0.6
83.08617	0.8
85.06534	0.5
91.05467	4.1
93.07048	8.9
95.04945	0.8
95.08061	0.7
95.08612	7.0
97.06499	1.0
97.10197	0.4
98.21584	0.7
98.97577	0.4
99.08092	0.6
101.00868	0.4
105.07044	5.9
106.19092	0.3
107.08602	5.8
109.06519	1.9
109.10156	3.2
111.08106	3.2
115.05447	0.5
117.06992	1.8
119.08589	4.3
121.06487	0.9
121.10166	3.4
122.33419	0.4
123.08102	0.5
123.11730	0.7
125.09640	0.5
127.46335	0.4
128.06190	0.4
129.07007	1.7
131.08553	4.1
133.10132	6.5
135.08096	1.8
135.11699	5.7
135.90044	0.4
137.09581	0.9
141.07060	0.5
142.03238	0.8
142.07802	1.0
143.08582	2.7
144.09315	0.4
145.10139	4.8
147.11691	3.6
149.09654	1.3
149.13269	4.1
151.11186	15.1
154.32718	0.4
155.08591	0.4
155.28888	0.5
155.50638	0.5
156.09299	0.6
157.10115	3.3
159.08035	0.4
159.11703	4.9
161.09653	0.5
161.13257	1.0
163.11201	1.2
165.12675	0.4
171.08125	0.4
171.11697	3.8
173.13266	1.0
175.11226	0.6
177.12767	26.4
183.11742	0.5
185.13284	2.6
185.14622	0.4
187.14833	1.7
189.12730	0.9
199.11211	0.9
199.14835	2.3
201.16422	0.8
217.16003	0.4
217.19481	0.8
227.10583	0.4
227.14423	0.8
227.17982	9.7
245.19025	100.0
246.19348	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.05516	9.3
57.07087	5.2
61.12775	0.7
65.03938	0.8
67.05512	11.9
69.07075	16.3
70.16975	2.7
71.08644	0.8
79.05505	5.9
81.07066	26.4
83.08630	9.5
83.29737	0.8
91.05489	7.1
93.07056	14.7
95.04989	0.8
95.08617	33.1
97.10168	5.0
105.07043	18.9
105.96420	0.8
107.08604	25.8
109.10165	22.6
111.11723	1.0
119.08595	23.1
121.10151	21.1
123.11726	15.2
131.08582	1.8
133.10150	16.7
135.11707	17.4
137.13287	6.6
143.08553	1.0
145.10150	2.3
147.11702	14.0
148.30670	0.7
149.13287	17.0
151.14825	1.8
161.13268	16.3
161.14589	1.0
162.13588	0.9
163.14830	21.1
164.59784	0.7
165.89662	0.8
175.14853	25.0
177.16420	1.7
187.14851	2.6
189.16397	24.3
199.11183	1.0
202.17143	1.2
203.17967	10.6
243.16286	0.9
245.22675	100.0
246.13173	0.8
246.23016	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	246.145
Annotation	H-Ile-Asn-OH
Peak:m/z	Relative Intensity
55.05511	4.9
57.69468	2.5
60.93220	2.5
68.94534	2.5
69.07072	51.6
70.02956	19.3
70.06591	11.7
70.40636	7.9
70.40974	2.3
71.50006	2.0
72.08162	19.0
73.02917	2.5
73.04048	3.1
73.06538	4.2
80.80618	2.6
82.02959	2.4
84.03243	2.4
84.04475	2.6
84.08143	29.7
85.04040	18.1
86.09710	88.0
87.05595	80.9
88.04001	3.7
96.08138	4.9
98.02423	24.5
98.20818	2.7
110.02409	77.4
113.10773	52.3
116.07107	4.8
120.08117	11.9
124.03925	15.6
128.07140	3.2
129.10262	9.5
130.08640	6.2
132.10211	21.8
138.09088	4.2
141.10234	95.1
141.11330	5.2
143.11815	13.3
147.11295	5.5
155.11803	7.3
163.77827	2.6
166.08650	88.2
169.09724	6.8
175.11923	5.6
183.11275	12.7
187.10796	64.5
200.13924	23.5
209.90205	2.2
211.10669	11.0
212.09192	100.0
228.13670	2.5
229.11832	40.6
241.05791	3.1
246.15338	9.2
246.18115	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	245.006
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06601	17.3
67.83491	8.9
69.79787	47.0
70.06602	19.1
93.69813	9.6
94.93027	9.6
101.00884	79.8
104.10751	84.2
113.00890	16.7
113.05538	9.9
119.01924	70.7
126.00397	8.0
131.01910	18.3
133.03461	18.6
140.02469	9.4
143.01939	64.9
145.03497	18.9
147.01392	10.5
155.01903	29.1
157.03493	33.8
160.06412	15.5
161.02959	100.0
167.01839	15.5
173.02975	29.0
175.04497	12.6
176.07672	15.4
177.07803	12.9
178.07491	27.9
185.02991	66.5
197.03000	22.4
199.04665	10.4
203.04065	36.6
213.05757	8.4
237.00253	10.3
245.04900	47.7
245.11803	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
55.05490	1.1
62.99540	0.3
67.05491	0.5
68.99809	0.8
69.03419	0.4
69.31879	0.7
69.32285	2.3
70.06610	1.5
72.08156	2.2
79.05476	0.7
83.08638	0.5
84.08132	1.0
86.09708	7.5
87.00832	1.4
87.72363	0.3
91.05496	0.7
93.07050	0.5
95.08598	0.4
97.06557	0.6
98.06866	0.4
105.07011	0.9
107.08584	0.4
110.06068	0.3
115.05455	3.7
116.05025	0.4
117.05766	4.4
117.07038	0.4
118.06567	3.1
129.07043	2.5
130.05061	0.5
130.06538	12.3
130.07515	0.7
132.08104	51.2
133.08432	0.6
140.04984	0.8
142.03271	0.7
142.05489	0.7
142.06534	9.0
143.07344	0.6
143.08519	0.5
154.06531	1.2
156.06909	0.7
156.08093	4.7
156.09286	0.5
157.07620	8.0
157.08870	0.7
158.06024	1.3
158.08432	7.2
158.09630	0.3
159.09190	100.0
159.89694	0.3
160.07603	8.7
160.09572	1.2
166.06485	0.7
167.06068	4.6
170.06042	3.1
171.06793	0.5
171.09239	0.8
172.07567	1.4
181.07672	1.8
182.06004	1.3
183.09218	1.5
184.07597	15.5
185.07118	50.1
186.07501	0.8
199.08707	2.8
199.14873	0.4
200.07100	7.3
201.10251	12.4
201.12082	0.8
209.07092	2.2
209.08784	0.4
224.43086	0.4
227.08173	39.4
228.08444	0.6
245.09261	20.3
245.15474	0.8
245.18713	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68587	0.2
56.05008	0.3
57.05807	0.4
61.73718	0.2
64.33518	0.2
64.81641	0.2
67.05487	0.2
69.07070	11.2
71.29763	0.5
78.67480	0.2
84.08167	0.4
86.09711	100.0
87.10046	0.5
110.74001	0.2
132.10211	1.4
199.18103	0.6
236.03499	0.3
245.18605	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	243.211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05571	0.9
55.05511	8.2
57.07078	4.6
58.57581	1.0
63.21974	1.1
67.05512	10.2
69.07072	9.2
69.19578	3.4
69.19997	7.8
71.08617	1.5
79.05489	6.4
81.07062	22.3
83.08607	2.6
91.05486	9.4
91.36423	1.1
93.06557	1.3
93.07053	13.4
95.08614	22.4
97.10173	1.7
98.20808	2.2
105.06330	1.2
105.07036	23.6
106.41851	1.0
107.08592	14.4
109.06496	1.1
109.10171	12.3
111.11748	1.6
116.06200	1.2
117.07018	6.2
119.08591	64.8
120.08859	1.0
121.09483	1.0
121.10164	12.8
123.11707	3.2
128.06215	1.3
129.07034	2.8
131.08566	24.1
133.10133	33.5
135.11740	11.5
142.07849	1.3
142.15930	1.8
143.08603	4.2
143.16248	1.8
144.09363	2.6
145.10129	34.2
147.11699	19.4
149.13278	7.5
157.10152	3.8
158.10907	4.8
159.08063	1.4
159.11702	42.9
160.12271	1.1
161.13251	10.6
163.14815	1.3
169.10196	2.5
171.11748	1.7
172.12401	2.3
173.09816	1.6
173.13280	55.9
175.14853	1.8
185.13240	2.1
187.14827	46.2
187.16478	2.5
197.09659	1.5
197.13290	1.6
199.14893	1.8
200.34340	1.1
201.16412	16.9
215.17924	3.4
225.19452	1.4
243.10168	2.6
243.17404	4.5
243.21107	100.0
243.28674	5.1
244.21323	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	243.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	5.9
57.07069	3.2
65.03932	1.0
67.05515	7.7
69.07074	10.1
71.50358	1.1
75.11737	0.8
78.99738	1.0
79.05506	7.7
81.07063	19.3
83.08611	2.6
89.33822	0.8
89.59180	0.7
91.05472	7.5
93.07050	12.8
95.08619	20.4
97.10190	2.1
103.05460	1.0
105.07036	20.3
107.08595	15.0
109.10155	8.5
111.11723	2.4
117.07037	5.7
119.08588	58.1
121.10161	12.2
123.11717	3.0
128.06308	1.0
128.52106	0.7
129.06999	1.9
130.07771	1.8
131.08583	16.5
133.09122	1.5
133.10136	28.9
135.11714	11.1
141.07007	0.9
143.08563	4.0
144.09366	3.0
145.10135	30.1
147.10527	1.0
147.11690	19.7
149.13269	7.9
157.10098	2.7
158.10907	4.6
159.11699	35.9
161.13232	10.3
163.14792	1.4
171.11711	1.1
172.12453	1.6
173.13274	46.0
174.13940	0.8
175.14841	1.9
185.13214	1.3
187.14832	38.9
188.15433	1.1
199.14737	1.0
201.16405	12.4
214.30136	1.0
215.18011	4.0
243.17348	2.9
243.21104	100.0
244.21385	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
56.05039	3.9
56.96560	0.6
57.07077	0.6
67.05499	0.8
69.03445	0.5
69.07076	2.3
70.06599	5.9
70.24680	1.6
71.93030	0.5
72.08163	2.0
73.08500	0.5
76.42088	0.4
81.04565	1.1
81.07057	0.7
83.06106	0.6
84.04511	83.7
84.08146	4.9
85.02898	0.7
85.04834	0.6
85.08474	0.5
86.06076	0.7
86.09711	100.0
87.10059	0.6
88.04006	0.5
90.94856	0.5
96.04506	0.8
98.06044	0.4
98.97606	1.1
102.05539	1.3
110.07198	1.0
113.07114	1.2
116.07104	1.2
127.05071	0.7
129.06606	4.6
129.10237	1.8
130.10608	0.6
132.10217	44.2
141.06554	3.6
152.10692	0.6
175.11894	0.9
180.53087	0.5
197.12874	35.4
215.13840	0.9
225.12274	1.9
243.13480	7.9
243.17982	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	243.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	51.7
56.05036	5.1
63.70298	1.1
69.07076	6.2
70.06586	2.5
71.03021	2.3
72.08143	3.0
83.05643	2.0
83.06107	26.0
84.04508	100.0
84.08138	3.3
86.09709	85.9
87.10022	1.1
91.05479	1.0
97.06534	66.5
101.07141	12.0
114.08411	1.6
114.09171	21.0
129.06607	39.8
129.10258	1.5
130.05008	21.7
132.10213	35.6
141.06584	3.7
145.07623	2.0
149.02399	1.9
154.37375	1.3
170.07140	1.8
172.08736	10.5
197.12852	30.2
198.06606	2.0
200.08183	1.5
215.06929	1.4
216.07684	4.4
225.12360	2.4
226.10732	2.8
243.08781	16.0
243.11179	2.0
243.13306	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	242.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.4
55.05519	1.6
56.05042	1.6
57.03428	0.4
67.05505	0.7
68.05036	1.3
69.03407	0.8
69.07076	1.1
70.06598	3.6
70.29333	0.3
71.19555	0.5
72.08157	3.2
73.02892	0.3
73.07706	0.5
79.05498	0.7
80.05032	0.8
81.03414	0.9
81.07067	1.1
82.06584	1.0
83.04987	6.3
83.06114	2.5
84.04512	4.4
84.08146	60.3
85.08488	0.6
86.09710	18.2
87.04477	1.7
95.06095	24.5
97.06539	0.8
98.06063	1.3
98.97591	0.5
99.01915	0.6
99.05579	2.0
100.07631	0.5
100.52126	0.3
101.07132	2.6
101.10788	2.5
103.05468	9.2
105.07032	0.6
110.06064	0.4
110.07157	0.6
111.09196	1.6
111.67980	0.3
112.08734	35.9
113.10802	0.3
114.09185	0.4
124.07618	0.9
126.05515	0.9
127.05051	4.0
127.08640	0.3
128.07147	0.4
129.06581	1.0
129.10246	100.0
130.04997	4.7
130.10579	1.0
131.04933	18.7
132.05287	0.4
132.10248	0.3
136.06189	0.4
138.06621	0.6
138.12772	0.4
142.08641	2.1
144.07701	3.5
147.07632	0.4
155.17270	0.3
156.08112	2.3
163.04094	0.3
181.63168	0.4
184.15341	0.3
197.16580	1.7
198.12373	0.5
202.57863	0.3
215.84711	0.4
224.11864	1.4
224.16338	0.4
225.12299	1.2
225.15898	2.1
226.14368	0.3
242.10205	0.4
242.12997	7.7
242.14978	0.7
242.18610	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0203
Annotation	Unknow
Peak:m/z	Relative Intensity
70.97560	0.3
77.39566	0.1
82.99840	1.2
98.97636	0.5
101.00890	8.5
102.00948	0.2
111.00529	0.2
116.98829	0.4
117.65886	0.1
119.01925	9.7
120.02013	0.2
122.97816	0.3
134.99866	0.8
137.02959	1.0
139.31573	0.1
140.97797	0.1
140.98839	2.6
140.99883	0.2
158.99901	6.7
160.00044	0.2
165.99594	0.2
171.70834	0.1
175.03078	0.4
177.00963	20.4
178.01057	0.7
179.01427	0.1
179.99077	0.2
182.99857	1.4
193.04019	0.1
194.88670	0.1
197.00558	0.2
197.02966	0.2
199.03046	0.4
201.00932	4.5
201.02406	0.3
202.01025	0.2
215.01718	0.1
215.99683	0.3
217.04095	3.7
218.04253	0.2
219.02014	24.2
219.94511	0.3
220.02171	1.7
221.02481	0.2
223.49359	0.1
225.00865	2.4
234.00648	0.6
237.98808	0.2
242.03682	0.2
243.01988	14.2
244.02147	0.5
261.03070	100.0
262.03210	3.8
263.03531	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	1.8
56.96574	0.5
57.03439	0.8
59.05008	1.7
61.02928	5.4
62.64703	0.5
63.17878	0.5
68.05032	3.8
70.06601	1.1
71.04999	5.3
71.49457	1.0
72.08151	1.2
79.05498	1.7
81.07066	12.3
83.06105	11.6
84.08147	1.6
86.09711	1.0
87.08110	1.7
89.74583	0.5
95.06100	100.0
97.07641	0.8
98.97598	0.6
101.00869	1.0
107.06098	1.6
112.08743	36.6
119.01923	1.6
121.07632	1.3
133.03429	0.5
151.12334	2.5
163.12321	34.3
174.08029	0.5
177.01018	0.7
181.13397	1.7
182.06615	0.7
183.72957	0.5
192.15027	0.7
193.13402	10.0
200.07863	0.6
210.16042	23.7
219.01904	1.2
224.07729	0.6
225.15985	9.3
242.08803	1.6
242.18657	93.9
243.19029	1.2
261.03143	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	242.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28514	0.7
53.03948	1.3
55.01883	1.4
55.05517	24.7
56.05042	1.2
57.03430	2.2
64.64082	0.9
68.05033	4.9
69.03431	9.7
69.07068	2.4
69.38353	5.9
70.06602	3.8
72.08167	4.7
75.75012	0.7
78.84983	0.8
79.05495	9.2
80.05026	29.0
80.05495	1.6
81.03428	22.0
81.07061	6.2
81.59861	0.8
81.99496	0.9
82.02931	1.1
82.06589	20.7
83.04990	100.0
84.04509	2.7
84.08160	5.4
85.02896	3.6
86.09701	3.7
95.04962	2.9
95.06112	6.6
96.04491	2.1
96.08117	3.5
97.06551	1.5
98.06066	9.7
98.21531	1.3
98.97578	1.3
99.04466	11.2
99.05563	1.1
100.07616	2.4
101.07146	2.4
106.06554	1.8
107.04952	6.4
107.82446	0.8
110.06053	1.0
110.07201	1.0
112.08705	1.1
114.09241	1.0
124.07604	46.1
125.06016	15.7
127.03923	12.8
127.05027	3.6
129.06581	0.7
129.10254	5.7
131.03433	1.2
132.16383	0.8
136.06149	0.9
142.08649	49.5
144.07689	1.8
145.03915	1.5
145.04984	14.3
149.13249	0.9
161.06520	0.7
204.53918	0.8
224.09172	1.3
224.12788	7.9
224.16370	1.3
242.10181	13.4
242.13777	13.8
247.49805	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54165	0.4
55.01862	0.4
55.05510	2.4
56.05030	1.9
57.03447	0.9
63.30312	0.5
68.05020	2.2
69.03440	2.7
69.07079	1.0
70.06596	3.7
70.99949	0.9
71.05012	0.5
72.07802	0.7
72.08160	6.6
73.07674	1.2
78.51738	0.4
80.05022	1.3
81.03417	1.5
81.07052	2.1
82.06557	1.3
83.04984	8.2
83.06108	4.6
84.04515	3.7
84.08150	7.9
85.02905	1.1
86.09702	6.0
87.04502	0.4
91.05506	0.5
95.06096	63.3
96.04485	0.5
96.06430	0.5
98.06071	0.8
98.97587	0.6
99.01955	1.8
99.04512	2.0
99.05581	7.0
101.06558	0.3
101.07146	8.0
103.05471	23.4
107.04939	0.6
110.06013	0.6
110.07178	0.9
112.08733	100.0
113.09069	0.6
116.10712	0.7
121.03861	0.4
124.07572	2.0
125.05975	0.5
126.05512	0.6
127.03937	3.2
127.05039	11.1
129.06612	0.6
129.10245	9.0
129.11137	0.8
130.05031	2.5
131.04935	47.8
132.05203	0.5
138.06619	0.9
138.12743	0.4
142.08641	2.1
144.06552	0.6
144.07697	11.3
145.04967	3.6
145.98668	0.5
156.07961	0.5
161.62338	0.4
181.09644	0.5
182.06082	0.5
197.12933	0.9
198.12378	0.9
212.61967	0.4
224.09598	0.7
224.11728	3.8
224.13759	0.5
225.12349	3.2
225.15877	0.5
242.10289	4.0
242.12871	24.8
242.15070	4.6
243.13353	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.129
Annotation	Ampalex
Peak:m/z	Relative Intensity
51.86969	0.4
53.03945	0.4
68.05049	1.7
69.03445	0.4
69.07056	0.4
69.26653	2.8
70.06598	0.6
72.08175	0.5
77.03945	0.8
79.48169	0.3
83.06108	1.5
83.80268	0.3
84.04507	0.7
84.08155	1.1
86.09710	1.7
91.05502	0.8
93.63612	0.3
95.06100	61.1
103.05477	37.0
112.08740	37.9
118.18858	0.3
129.10219	1.1
131.04941	100.0
132.05252	1.4
138.06670	1.8
175.97339	0.3
187.90051	0.3
204.41309	0.4
210.16801	0.3
224.11835	8.0
242.12909	40.5
243.13258	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	241.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21457	1.3
54.38074	1.4
55.05519	12.3
57.03412	2.0
57.07085	3.1
67.05510	11.9
69.07076	8.9
71.50490	2.1
79.05501	6.5
81.07068	11.6
83.08612	5.0
84.06002	1.4
90.28174	1.2
91.05473	9.2
92.12650	1.4
93.07046	9.2
95.08616	20.1
96.72334	1.3
97.10194	3.4
105.07045	17.5
107.08586	9.9
109.10154	9.8
115.05466	2.2
117.07011	5.9
119.08597	18.1
121.10159	6.6
122.33205	1.2
122.52966	1.4
128.06232	5.4
129.07014	9.1
131.08563	10.9
133.10143	11.5
135.11688	3.5
141.07047	3.1
142.07774	11.8
143.08556	27.7
145.10135	12.9
147.11696	11.0
149.13196	1.4
155.08560	7.8
156.09367	8.5
157.10141	27.6
159.11685	13.8
161.13286	3.2
165.07123	1.5
167.08615	2.8
169.10176	2.8
170.10971	8.5
171.08154	1.9
171.11699	35.8
173.13326	8.5
181.10207	1.5
183.11726	4.9
184.12422	1.8
185.09720	2.1
185.13284	39.4
195.07988	1.7
197.13254	4.9
199.14851	21.7
211.14845	2.8
212.15579	2.5
213.16380	3.5
241.08638	3.2
241.12331	4.3
241.15773	6.5
241.19531	100.0
242.19919	2.7
242.28551	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	242.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47137	0.5
53.03951	1.1
55.01877	1.4
55.05265	1.2
55.05510	12.2
56.05037	1.1
57.03430	3.6
59.01373	0.7
67.01864	4.1
67.05515	1.0
68.05033	2.1
69.03432	58.0
69.07062	2.7
70.06593	3.3
71.01374	0.6
71.04994	3.2
71.49566	0.7
72.08159	4.1
79.05517	2.8
80.05018	12.9
81.03423	12.0
81.07064	2.6
82.06586	11.5
83.04987	77.6
83.06050	1.7
84.04504	2.3
84.08146	22.5
85.02908	23.5
86.09709	10.3
87.04463	1.0
91.05447	0.9
93.07005	0.7
95.01335	1.0
95.04960	1.4
95.06094	4.2
96.04514	1.6
96.08145	2.1
97.05309	1.2
97.06542	1.0
98.06072	7.8
98.97563	0.6
99.04459	53.8
99.05521	1.7
100.07611	1.3
101.07153	1.6
101.10781	1.1
103.03937	0.7
106.06541	2.0
107.04969	3.2
109.53788	0.7
110.06055	2.8
110.07174	0.9
112.07597	1.0
112.08722	1.5
113.02376	10.9
113.05991	1.1
114.09176	5.2
115.03932	2.5
117.30965	0.6
118.06558	2.0
123.04430	0.8
124.07594	15.2
125.06015	4.5
127.03926	90.0
128.04245	0.8
128.07091	1.4
129.10248	34.9
131.03418	7.6
134.05992	2.9
136.06184	1.3
136.07706	0.7
142.08643	16.0
144.07690	3.4
145.04965	100.0
146.06024	2.7
149.40688	0.7
160.09689	0.6
162.05513	5.0
164.07045	1.2
180.06549	2.5
192.06566	3.5
194.08188	0.7
197.12830	0.7
197.16505	0.7
206.08113	1.7
210.07600	1.0
212.09149	0.8
224.09201	5.2
224.12761	3.4
224.16350	0.7
225.12210	0.7
242.10231	80.7
242.13670	7.5
242.18611	5.2
243.10344	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
54.63768	0.6
55.05268	0.7
55.05511	6.3
56.96552	0.6
57.03457	0.6
57.07074	1.6
65.03943	0.6
67.05518	6.5
69.07075	5.3
71.49448	0.8
79.05500	5.7
81.03415	0.7
81.07065	10.9
83.04978	0.7
83.08612	2.1
85.02923	0.7
91.05489	5.7
93.07049	8.7
95.04959	0.8
95.08070	1.0
95.08620	13.0
97.02879	1.1
97.10165	2.3
98.97599	1.1
105.07037	15.1
106.27795	0.6
107.08594	7.1
109.10181	6.5
117.03379	0.9
117.07011	3.0
119.08593	10.2
121.10139	3.6
123.11697	1.7
128.06198	3.4
129.07010	6.6
130.07793	0.9
131.08594	9.7
133.10144	7.6
133.48801	0.5
135.11737	3.2
141.06993	1.4
142.07806	5.7
143.08569	18.0
144.09296	1.9
145.10143	17.5
147.11713	6.6
149.13174	1.1
155.08553	2.4
156.09355	5.7
157.10138	24.1
158.10681	0.7
159.11720	14.1
160.03899	1.4
161.13303	3.0
163.03961	1.3
169.10162	2.7
170.10951	2.6
171.11710	20.8
173.13280	6.2
181.10051	0.7
182.11047	0.6
183.11699	2.5
184.12456	1.2
185.09669	1.0
185.13289	31.5
186.13890	0.6
195.11571	1.1
197.13266	3.2
198.14096	2.0
199.12979	1.2
199.14836	22.8
211.14804	1.5
212.15643	0.6
213.16441	5.6
221.43280	0.6
241.16119	3.9
241.19537	100.0
242.19902	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	239.237
Annotation	Bombykol
Peak:m/z	Relative Intensity
53.03954	1.3
54.29776	0.5
55.05513	22.9
55.64250	0.6
57.07079	100.0
59.05020	0.8
59.41184	0.7
65.03949	1.1
67.05509	51.5
69.03436	0.6
69.07071	24.3
71.05009	1.4
71.08634	62.4
71.29313	1.3
72.04515	0.9
77.55029	0.6
79.05497	6.8
81.03400	2.8
81.07060	55.1
82.07408	0.7
83.08624	29.1
85.06520	3.6
85.10186	29.5
86.11179	0.6
88.02208	0.7
89.06039	1.4
91.05495	1.7
93.07057	4.3
95.08612	73.3
96.08972	0.9
97.06571	0.8
97.10175	12.9
97.10790	0.9
99.04482	2.6
99.08119	1.7
99.11754	0.7
105.07064	0.7
107.08627	0.9
109.10164	26.0
111.11745	2.0
119.08609	0.8
123.11707	8.3
129.07056	0.9
131.08592	0.6
133.08636	0.9
137.09644	0.9
137.13321	2.0
141.07043	0.9
151.14812	1.2
165.58391	0.6
169.10223	2.0
183.11816	2.0
197.13333	1.7
239.09029	1.9
239.14497	1.1
239.18176	4.6
239.23709	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	240.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
55.05505	2.2
56.05042	4.9
56.96582	0.7
65.01456	0.7
67.05495	1.2
68.05025	2.3
69.03424	0.9
69.07059	1.0
70.06596	17.2
70.50779	2.6
71.04995	15.8
72.08158	10.6
72.93764	1.4
79.05502	1.4
80.05018	1.5
81.04537	0.9
81.07053	5.3
82.06590	5.2
82.14163	0.6
83.04977	1.5
83.05643	1.3
83.06111	19.4
83.08625	0.7
84.04505	3.1
84.08147	23.3
85.02917	0.9
86.06075	1.5
86.09683	1.8
87.04446	0.9
91.05510	0.7
92.05008	1.3
93.04538	0.9
94.06573	0.9
95.06091	14.3
96.04459	0.9
98.06063	7.1
98.09692	2.2
99.05579	1.6
99.08139	0.9
99.09204	2.8
100.07603	0.9
103.05477	0.8
105.07049	0.8
106.06522	0.8
109.07650	8.3
110.04804	1.5
110.06046	6.2
110.07180	2.8
111.04389	0.9
111.05575	3.2
112.07591	0.8
112.08740	2.0
113.09647	9.3
113.96496	0.7
114.06796	0.7
115.08691	2.7
116.07098	1.8
117.07001	0.9
119.04993	0.9
120.08107	3.0
121.06517	1.3
124.07619	1.7
124.61511	0.6
125.06227	1.2
125.07126	12.6
126.05527	2.2
126.09160	10.8
127.04993	0.7
127.08675	7.2
129.10249	3.9
136.06171	0.7
137.07108	16.7
137.10733	4.2
140.07063	0.7
141.07831	3.4
143.11789	5.4
146.09673	1.0
148.04004	1.7
152.07126	1.4
153.10187	1.4
162.09277	0.7
164.11839	1.0
166.05000	2.8
166.13368	1.0
169.09744	11.3
169.13382	2.5
178.12289	5.0
179.11728	3.7
181.13405	1.2
182.12947	1.5
188.98454	0.7
191.11809	0.9
201.18523	0.8
208.14458	21.6
211.14413	1.8
212.10359	1.5
213.16051	2.4
216.97896	1.0
222.07607	1.0
222.11357	1.0
222.16039	17.8
223.14395	1.3
240.06583	1.6
240.17097	100.0
241.17442	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	239.1643
Annotation	(1S,2S)-3-Oxo-2[(2Z)-pentenyl]cyclopentane-1-butyric acid
Peak:m/z	Relative Intensity
53.03939	9.4
55.01876	12.4
55.05515	43.8
57.03451	18.7
57.07076	11.7
65.03938	5.1
67.05507	83.4
69.03407	5.7
69.07073	68.1
70.51813	7.6
71.05000	21.7
71.08630	15.9
79.05068	3.9
79.05495	44.6
81.03423	31.9
81.07059	44.7
83.04984	13.3
83.08617	10.6
85.02908	20.9
85.06541	7.8
87.04477	44.7
89.06013	4.0
91.02321	2.1
91.04910	3.0
91.05489	62.0
93.07048	50.8
95.01347	25.3
95.04973	30.4
95.08619	52.3
97.06547	19.5
97.10136	7.2
99.04469	27.9
99.08105	18.5
101.06020	4.0
105.07037	59.1
107.04954	5.4
107.08585	26.1
109.02854	5.9
109.06517	13.6
109.10162	33.2
111.04460	17.8
111.08089	5.2
111.11655	3.5
113.02370	9.6
113.06011	19.5
115.03935	17.3
117.07018	9.5
119.08587	100.0
121.06534	5.9
121.10159	18.1
123.04435	15.9
123.08052	21.3
125.05992	11.1
125.09629	4.6
125.13249	2.6
127.03912	9.7
129.07036	3.8
131.08577	7.8
133.06502	7.2
133.10146	43.8
133.86427	2.6
135.08072	6.4
135.11687	9.5
137.06000	11.1
137.08846	2.6
137.09647	28.0
139.07542	4.4
141.09099	5.8
143.08565	9.2
145.10146	4.2
147.08063	14.9
147.11726	14.6
149.09726	3.7
149.13248	3.7
151.07607	12.0
152.61803	2.5
153.09091	3.3
153.12772	3.4
155.08571	3.9
157.10126	4.6
159.11716	8.5
161.09599	6.8
161.13252	28.4
165.09177	15.8
169.10091	3.0
175.11346	3.1
175.14839	60.3
177.12747	30.3
179.14314	7.7
183.11691	6.1
185.13281	13.7
185.45589	2.3
193.15932	27.1
197.13226	6.3
199.81786	2.4
203.14337	25.2
209.13268	3.4
211.27055	2.5
217.70332	2.4
221.15387	59.9
239.08890	7.8
239.12694	3.9
239.16193	43.9
239.18419	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	237.2214
Annotation	Bombykal
Peak:m/z	Relative Intensity
53.03931	4.6
55.01870	3.5
55.05513	76.5
55.70218	1.3
57.03428	6.0
57.07073	32.2
65.03939	2.0
67.05509	79.6
69.07071	97.2
71.04979	3.9
71.08629	15.1
73.06575	1.4
77.03900	1.5
79.05499	55.1
81.07058	100.0
83.04971	5.7
83.08621	92.6
85.06533	4.4
85.10186	4.1
91.05495	8.4
93.07049	63.0
95.04975	5.2
95.08608	69.7
97.06536	37.2
97.09554	2.5
97.10174	45.3
99.08080	4.2
105.07011	4.0
107.04933	2.5
107.08604	40.7
109.06545	2.3
109.10166	32.7
111.04437	3.2
111.08082	22.0
111.11734	9.0
112.04640	1.5
113.09623	1.8
115.11204	1.8
117.07039	2.4
119.08553	3.1
121.10148	91.4
123.11708	28.5
125.05930	1.9
125.09644	8.5
125.13267	1.8
127.11170	4.0
131.08549	2.3
131.21805	1.4
133.10147	2.0
135.04366	2.1
135.11693	67.5
137.13254	19.1
139.11160	5.9
141.12761	3.9
143.08553	1.6
145.10153	2.4
149.13275	25.6
151.14810	3.5
153.05446	2.6
153.12723	2.8
155.14314	2.0
159.11682	2.2
163.07478	1.4
163.14862	12.0
165.07159	2.1
177.09161	2.0
177.12827	1.8
177.16386	5.1
191.10677	3.1
192.06520	2.8
193.10104	2.0
195.11731	4.2
207.11707	2.4
209.11746	5.6
219.21088	63.7
222.10316	1.4
222.13747	1.7
237.11044	2.5
237.14674	2.9
237.16634	3.5
237.18358	2.3
237.22136	88.9
238.22398	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	239.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.4
63.93018	0.7
69.39317	5.6
70.06585	2.5
71.05000	0.9
72.08154	0.8
74.06013	0.7
74.60746	0.9
75.62257	0.7
81.03387	0.8
81.07064	0.7
84.08137	1.3
87.04465	1.3
89.06034	100.0
89.73939	0.8
95.08548	1.1
107.07083	1.5
119.08620	0.8
133.08612	31.7
151.09721	1.9
152.08257	0.9
162.53906	0.7
177.11264	2.3
195.12280	1.7
239.08888	1.2
239.15041	5.7
254.17743	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1488
Annotation	Cuspidiol
Peak:m/z	Relative Intensity
51.02361	0.4
53.03944	0.9
55.01877	3.8
55.05510	3.6
56.96578	0.3
57.03439	5.1
57.07060	0.7
59.04997	0.8
64.82122	0.3
65.03937	0.7
67.05508	12.5
69.03429	1.4
69.07066	1.2
69.36999	2.6
69.37408	0.8
71.04997	5.7
72.08168	0.5
73.20914	0.4
74.58696	0.4
79.05495	11.3
81.03420	0.8
81.07059	13.9
81.07536	0.9
83.04987	3.1
85.06557	3.4
85.64776	0.4
87.04472	100.0
88.04771	0.6
91.05484	10.2
93.07050	5.9
95.04977	1.6
95.06094	1.3
95.08613	3.9
97.06530	17.1
97.07162	0.9
98.20764	0.8
99.04452	3.2
101.06034	2.3
102.60532	0.5
103.05512	0.7
105.07030	5.5
107.04961	1.6
107.08598	8.6
109.06520	2.0
109.10180	1.5
111.04446	2.3
111.08086	0.8
112.08743	1.1
113.05996	2.2
115.03934	41.5
116.04221	0.5
117.07023	7.7
119.08596	3.2
121.06512	4.1
121.10137	2.7
122.06847	1.3
123.08093	1.5
123.11713	8.1
125.05995	10.4
125.06865	0.7
125.09637	0.8
129.05461	0.6
129.07030	1.7
130.07774	0.7
131.08571	5.6
133.04994	1.7
133.06459	0.7
133.10144	2.5
135.08057	7.1
135.11726	1.1
137.09653	0.9
139.07542	0.6
141.07022	1.3
142.07899	0.5
143.07043	0.6
143.08585	0.5
145.06479	0.8
145.10124	7.1
147.08087	1.1
147.11739	1.1
149.09650	1.8
151.07613	0.5
155.08601	1.6
157.10201	1.3
159.08095	1.4
159.11693	5.2
161.09682	1.2
163.07570	1.2
163.11183	5.5
163.14822	0.6
165.09105	1.0
166.07759	0.5
173.09694	0.6
173.13277	4.2
175.11232	1.2
177.09116	1.2
177.12721	3.8
181.08633	0.6
181.10187	0.5
183.10231	0.6
183.11685	3.4
191.08563	1.3
191.14304	2.8
192.06621	0.5
201.12775	6.0
219.08188	0.6
219.13802	9.1
237.09151	1.1
237.11307	0.9
237.14801	12.4
237.18460	0.7
237.22231	0.6
238.19368	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1487
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
53.03932	1.9
55.01880	5.5
55.05515	6.9
55.71507	1.0
56.79376	1.1
57.03439	1.5
57.07068	2.5
65.03925	1.6
67.00812	0.9
67.05512	11.7
69.03416	2.5
69.06740	1.3
69.07074	17.3
71.04971	4.3
71.50526	0.9
79.05502	15.4
81.03439	6.3
81.06668	1.2
81.07068	14.9
83.04563	0.9
83.04990	9.4
83.08582	2.3
85.02882	1.1
85.06548	2.0
91.05499	13.8
93.06496	1.8
93.07050	24.9
95.04979	10.2
95.08615	10.6
97.02887	2.4
97.06516	4.0
97.10158	1.7
99.04465	1.2
103.05414	1.1
103.51084	1.1
105.07034	12.6
107.04950	6.8
107.08600	16.7
108.05749	5.1
109.02840	1.1
109.06528	16.9
109.10120	3.6
111.04431	4.3
111.08059	2.9
117.06386	1.1
117.07034	15.3
119.08571	9.4
121.06515	20.5
121.10159	5.1
123.04411	1.7
123.08057	7.7
123.11695	1.4
125.05972	1.7
125.09660	1.8
127.03868	1.5
129.06985	3.1
131.08569	13.3
133.06448	3.2
133.10123	6.3
133.99411	0.9
135.08064	20.0
135.11682	4.5
137.05984	1.4
137.09592	2.5
139.07544	2.8
143.08598	2.1
145.06483	4.6
145.10121	7.0
145.85162	1.1
147.08069	1.3
147.11656	1.4
149.02345	4.8
149.06075	1.3
149.09673	6.4
149.13225	5.0
151.07570	11.5
153.09111	2.2
155.08513	3.2
157.10143	6.0
159.08011	2.2
159.11708	12.1
161.09590	3.2
163.07545	16.0
163.11153	2.2
163.14830	1.5
168.09332	1.2
169.08545	2.9
173.13249	8.1
175.11156	2.7
177.09106	4.2
177.12698	9.8
177.16321	1.0
179.08507	1.4
179.10655	3.8
180.09280	1.0
181.08606	13.0
181.10027	1.7
183.11705	8.4
189.12775	1.3
191.07016	1.3
191.14307	6.4
193.05008	2.5
193.12242	1.1
195.10117	3.8
195.11684	2.6
195.13817	1.7
201.12767	10.1
207.11685	1.9
208.12428	1.3
209.15305	1.2
219.13832	19.0
219.17332	5.3
222.14003	2.4
237.07558	5.9
237.14809	100.0
237.22017	2.2
238.15080	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	237.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.9
55.01868	1.1
55.05516	6.3
57.03439	0.4
57.07068	0.4
59.05021	0.3
64.35472	0.2
65.03935	1.5
67.05511	6.3
69.03438	0.8
69.07075	1.3
69.82024	1.0
71.04998	2.3
79.05497	4.5
81.03430	4.1
81.07067	6.6
83.04971	1.4
83.08625	2.2
85.02909	1.7
85.06542	0.6
91.05485	4.9
93.07053	4.6
95.04974	100.0
95.08609	6.0
96.05325	0.8
97.06534	0.9
97.10180	0.7
99.04464	0.5
99.08051	0.3
105.04518	0.3
105.07040	2.8
107.04968	0.8
107.08612	2.1
109.06524	3.6
109.10163	1.6
111.04461	0.3
111.08083	0.7
113.06075	0.4
115.05478	0.4
117.06375	0.2
117.07047	3.2
119.08584	2.3
121.06511	2.8
121.10156	2.5
123.08103	0.6
129.07018	0.7
130.07814	0.3
131.08572	3.6
133.10144	3.2
135.08072	3.1
135.11716	1.3
137.09644	1.2
138.15190	0.3
141.06995	0.5
142.07834	0.3
143.08577	0.9
145.10127	0.9
147.11723	0.6
149.02353	0.9
149.09637	1.0
149.13272	1.1
151.11165	0.3
155.08580	0.9
157.10143	0.7
159.08113	0.4
159.11690	3.4
161.09650	2.6
173.13293	1.9
175.11230	0.6
177.12766	5.7
177.14264	0.5
183.11671	1.7
191.14349	0.9
193.05003	0.9
195.11694	0.3
201.12804	2.0
219.12074	0.3
219.13821	1.6
237.07588	1.1
237.14748	3.9
237.18480	0.3
237.22144	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1489
Annotation	Cuspidiol
Peak:m/z	Relative Intensity
53.03957	0.7
53.31465	0.3
55.01874	5.2
55.02118	0.5
55.05515	4.4
56.05016	0.3
56.07799	0.3
56.96568	0.5
57.03439	4.1
57.07079	0.9
59.05009	1.0
65.03941	0.5
65.41373	0.3
66.32224	0.3
67.05508	14.3
69.03443	1.4
69.07065	2.1
70.06598	0.7
70.44894	1.0
71.04996	8.0
71.05376	0.6
72.08154	0.5
79.05495	12.0
81.03432	0.7
81.07061	16.1
81.30508	0.3
83.04993	3.1
83.08605	0.5
84.08148	0.7
85.02901	0.5
85.06554	3.7
86.09710	0.7
87.04472	100.0
88.04783	0.4
91.05485	12.5
92.05790	0.4
93.07048	8.0
95.04973	2.7
95.06085	1.5
95.08610	5.8
95.09184	0.6
97.06534	14.7
98.97623	0.3
99.04464	3.1
99.08081	0.5
101.06022	1.9
103.05478	0.7
104.07089	0.4
105.07035	7.3
107.04951	3.3
107.08594	10.3
109.02857	0.3
109.06531	2.9
109.10161	2.0
110.07139	0.4
111.04476	1.9
111.08072	0.9
112.08721	1.2
113.06017	2.4
115.03936	41.0
115.05481	1.3
116.06221	0.4
117.07019	8.8
119.08572	3.6
120.08078	0.4
121.06523	4.4
121.10141	4.3
122.06802	1.7
123.04439	0.5
123.08054	1.9
123.11713	8.4
125.05996	10.4
125.09608	0.7
128.06161	0.6
129.05495	0.6
129.07018	2.0
130.07793	0.5
131.08577	7.2
133.04962	2.1
133.06477	0.6
133.10143	2.6
135.08052	8.5
135.11688	1.7
136.08838	0.4
137.09622	1.4
138.09074	0.5
139.07491	0.6
141.06996	1.6
143.07034	0.8
143.08568	1.3
144.09305	0.4
145.06482	1.0
145.10129	8.2
147.06506	0.4
147.08005	0.9
147.11664	1.2
149.05911	0.4
149.09618	2.5
149.13252	0.7
151.07510	0.4
151.11140	0.8
153.09106	0.3
155.08533	1.9
157.10146	1.9
159.08064	1.5
159.10472	0.4
159.11688	6.4
161.09615	1.5
163.07541	1.9
163.11214	4.9
165.07031	0.6
165.09126	1.2
166.07782	0.4
167.08562	0.4
168.09250	0.4
173.09604	0.6
173.13274	4.2
174.01488	0.3
175.11165	1.2
177.09102	1.6
177.12759	4.8
179.10666	0.6
181.10040	0.6
183.10248	0.5
183.11696	4.0
190.07698	0.6
191.08553	2.0
191.10229	0.4
191.14331	3.9
193.04984	0.3
193.10274	0.4
193.12198	0.4
194.07217	0.8
195.11662	0.8
201.12749	6.2
201.16162	0.3
209.13223	0.3
219.07942	0.9
219.13803	10.0
219.17091	0.5
237.09373	2.7
237.11151	0.7
237.14758	13.8
237.18465	0.9
237.22069	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1275
Annotation	9-Methoxy-1,7-dimethylphenanthrene
Peak:m/z	Relative Intensity
55.05510	0.5
56.94349	0.4
57.07061	0.5
63.57935	0.3
63.92091	0.4
67.05499	0.7
69.07081	0.5
70.52228	0.9
79.05497	1.6
81.07049	1.0
83.05003	0.5
91.05507	0.8
93.07041	0.9
95.04961	1.7
95.08605	1.1
98.20789	0.4
105.07029	1.2
107.04958	0.4
107.08605	0.6
109.06532	0.4
109.10174	0.6
111.04459	0.5
115.05465	0.6
117.07027	1.0
121.06492	1.1
128.06203	0.5
129.06975	2.0
131.08563	0.7
143.08568	1.2
145.06500	1.2
145.10129	0.8
148.17451	0.4
149.09659	0.6
152.06197	0.4
153.06990	1.2
155.08588	1.1
157.06538	0.7
158.07278	1.2
165.06969	2.8
166.07802	1.7
167.08554	2.7
168.09312	0.8
169.10149	0.9
171.08012	1.0
178.07793	1.3
179.08557	5.9
180.09306	2.7
181.06497	3.4
181.10130	4.5
182.07312	1.0
182.10921	0.5
189.06926	0.7
190.07793	0.5
191.08519	2.3
192.09154	0.6
193.10153	1.8
194.07288	4.7
194.10971	3.5
195.08075	7.4
195.11665	4.1
196.08833	9.8
203.08583	2.0
204.09361	3.8
205.10101	1.3
207.06287	0.7
207.08087	9.1
207.11592	2.1
208.08846	10.6
208.12309	0.5
209.09633	9.0
209.13261	6.2
219.11778	3.4
220.08850	1.0
221.09637	3.8
222.10411	32.5
222.13931	1.7
223.10832	0.5
235.11316	0.8
237.12759	100.0
237.16287	7.9
238.13066	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	237.0872
Annotation	N-Formyl-D-kynurenine
Peak:m/z	Relative Intensity
51.02373	0.3
51.07331	0.2
55.05523	0.3
61.16880	0.2
67.05514	0.3
70.06586	1.2
70.19603	0.5
70.20020	0.7
71.01344	0.2
72.08157	1.6
74.02444	1.5
76.08368	0.2
81.07054	0.2
82.70291	0.2
84.04530	0.5
84.08154	1.9
85.08497	0.2
86.09708	0.8
87.04439	0.2
88.03973	0.4
89.05392	0.2
90.05569	0.5
91.05476	2.2
92.05010	0.4
93.07066	1.7
94.06577	10.3
95.04994	0.4
95.06102	0.8
97.16472	0.3
99.00822	2.8
102.29189	0.2
103.05482	6.2
104.04994	2.5
110.07153	0.2
112.08748	1.9
117.05752	0.4
118.06565	12.4
118.38877	0.3
120.04488	4.8
120.08118	100.0
121.08459	0.7
122.06071	0.3
128.04922	0.3
129.10262	0.4
130.06522	0.6
132.04466	3.4
136.07596	18.8
137.08011	0.4
146.06026	23.7
147.06409	0.4
148.03932	1.2
150.05530	4.9
150.06700	0.4
153.80846	0.2
156.04507	0.5
157.10977	0.2
163.08687	0.9
164.07086	3.3
170.04926	0.3
174.05528	12.6
191.08191	0.5
191.11848	0.4
192.06573	11.0
202.04997	4.5
220.06064	3.4
228.13464	0.2
236.58249	0.2
237.08852	1.3
237.12370	2.3
237.22061	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2059
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
53.03941	3.9
55.01865	1.9
55.05518	18.1
56.38442	1.2
57.03441	2.1
57.06798	2.5
57.07083	46.8
61.80183	1.3
65.03944	2.6
66.24171	1.2
67.05513	95.6
69.07074	19.0
71.05002	3.3
71.08642	3.3
72.08141	2.0
74.21474	1.4
77.94586	1.2
79.05503	57.8
81.03419	1.6
81.07066	95.4
83.04973	3.8
83.08625	9.8
85.06560	9.2
85.10184	4.4
91.05492	43.7
93.07055	62.7
95.04980	10.1
95.08618	84.3
97.06522	10.3
97.10184	3.7
97.97785	1.4
99.08102	11.2
103.00916	1.5
103.23762	1.4
103.50687	1.3
105.07045	22.2
107.04958	2.8
107.08607	33.3
109.06524	3.7
109.10174	26.2
111.08117	6.7
111.11739	1.5
113.09661	4.7
117.07042	4.4
118.08664	3.1
119.04939	2.5
119.08597	27.6
121.10156	64.7
123.04427	4.2
123.08069	6.8
123.11705	17.1
125.09634	1.4
129.06967	2.7
131.08553	5.6
133.10152	30.2
135.08026	3.6
135.11710	21.3
137.09602	5.6
137.13258	21.0
143.08543	1.6
145.10114	2.4
147.04433	7.1
147.11699	13.2
147.52914	1.3
149.09688	2.0
149.13260	4.6
151.11179	2.7
151.14810	6.1
153.12772	2.6
161.06041	2.0
161.09618	1.7
161.13297	10.5
166.17744	1.4
173.13220	2.2
175.14815	11.8
177.12723	1.3
179.07170	1.9
179.10686	18.9
189.04355	1.8
189.12823	2.1
189.16386	6.1
191.18007	2.1
193.08556	1.8
199.14851	3.0
205.10098	2.3
207.11601	1.8
217.12321	1.7
217.15883	5.7
217.19542	37.9
220.12440	2.2
235.13220	5.0
235.15036	4.7
235.16948	100.0
235.20576	58.3
236.17186	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	235.2059
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
53.03940	2.4
55.01866	2.1
55.05277	1.0
55.05516	14.9
56.96553	1.0
57.03425	2.4
57.07078	26.6
62.13580	0.7
64.78354	0.8
65.03923	2.0
67.05508	77.5
67.59348	0.7
69.03433	9.9
69.07069	15.1
71.04982	2.9
71.08630	5.0
72.08155	0.9
79.05496	30.6
81.03411	0.9
81.07059	100.0
83.04977	4.3
83.08622	7.2
85.06547	10.5
85.10172	3.8
91.04907	1.3
91.05484	29.7
93.07046	32.8
93.07638	1.6
95.04980	4.7
95.08611	68.4
97.06525	9.4
97.10159	3.4
98.20710	1.7
99.08092	6.9
105.07037	19.2
107.08604	18.6
109.06528	7.5
109.10159	22.6
111.08090	8.2
111.11700	0.9
113.09651	5.2
117.07007	1.5
118.05447	0.7
118.08623	1.3
119.04947	0.7
119.08586	22.9
121.06497	1.9
121.10149	21.3
123.04400	2.2
123.08058	7.0
123.11701	12.6
125.09589	1.3
127.11175	2.1
128.06218	1.0
129.06998	1.5
131.08583	2.5
133.06508	1.1
133.10133	23.4
135.11688	13.7
137.05978	1.4
137.09644	5.0
137.12323	1.3
137.13264	17.1
139.11185	0.8
143.08516	0.9
145.10098	2.2
145.35303	0.9
147.04407	2.5
147.08110	1.5
147.11687	12.1
149.09627	1.5
149.13303	5.5
151.07501	2.8
151.11171	2.7
151.14812	6.5
153.12766	1.8
157.10086	1.1
159.08029	1.2
159.11703	1.0
161.05959	2.2
161.09567	1.2
161.13261	11.6
162.06721	2.2
163.14748	1.2
165.12685	1.9
171.11757	1.3
173.13266	1.3
175.07585	1.1
175.11156	2.7
175.14841	5.7
179.07175	1.5
179.08536	1.3
179.10672	9.5
180.07797	1.0
189.12808	1.6
189.16420	4.4
191.17865	1.3
193.08588	1.8
193.10182	1.2
193.12180	1.2
193.15782	0.9
202.09900	1.0
205.10036	1.1
207.11806	0.9
207.13786	1.4
217.12302	1.2
217.16008	2.1
217.19524	36.9
220.12439	1.6
235.11092	2.8
235.13188	20.5
235.16922	41.3
235.20554	61.8
253.11092	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2059
Annotation	Nor-ent-labdan-7-en-aldehyde
Peak:m/z	Relative Intensity
53.03954	3.0
55.01858	1.9
55.05516	18.0
57.03440	3.1
57.07080	37.2
64.98515	1.9
67.05183	2.3
67.05510	30.8
69.03419	1.8
69.07076	19.3
71.05008	1.9
71.08632	1.7
71.49474	2.5
71.49850	1.9
72.08157	3.6
73.05323	1.8
79.05499	23.9
81.03437	4.1
81.07064	52.5
83.04982	3.6
83.08612	9.3
83.23894	1.6
85.06528	4.1
91.05489	22.5
93.07052	48.7
95.04971	7.7
95.08614	69.7
97.02821	1.9
97.06545	9.5
97.10162	7.3
105.06396	2.9
105.07043	27.3
107.08604	48.5
109.02896	2.1
109.06506	3.3
109.09480	3.1
109.10173	46.1
111.08069	12.0
117.07036	2.2
118.08676	3.0
119.04946	3.9
119.08595	51.3
121.06489	3.1
121.09340	3.1
121.10159	42.1
123.04431	3.6
123.08077	4.1
123.11708	17.8
125.09629	5.6
129.06961	2.7
131.08574	6.3
133.10152	28.4
135.08060	5.4
135.11717	17.4
137.09625	3.3
137.13248	4.8
139.11189	6.6
143.08574	4.2
145.10042	4.5
147.04449	12.1
147.08032	2.4
147.11717	21.0
149.09694	2.0
149.13295	24.0
151.11223	7.3
153.12714	2.1
157.10150	3.2
159.11742	4.7
161.09630	9.3
161.11049	1.6
161.13286	22.3
163.14839	19.2
165.12798	2.4
171.11702	3.7
173.13258	7.0
175.11241	4.7
175.14867	19.9
177.12706	3.4
177.16403	39.1
179.08400	2.3
179.10674	24.6
179.14246	2.3
189.12758	2.5
189.16403	10.6
194.10970	2.7
217.12495	2.3
217.15973	25.5
217.19511	46.8
232.15334	1.8
235.05933	3.7
235.11346	3.3
235.14885	7.0
235.16942	100.0
235.20522	43.6
236.17285	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	235.2058
Annotation	Nor-ent-labdan-7-en-aldehyde
Peak:m/z	Relative Intensity
53.03673	1.1
53.03929	2.7
55.01862	2.7
55.05511	16.1
57.03417	4.6
57.07081	28.9
63.61500	1.1
65.03931	2.0
65.44122	1.2
67.05510	92.5
69.06727	1.6
69.07074	18.7
71.04980	5.0
71.08642	6.1
72.93143	1.4
79.05072	1.8
79.05499	24.2
81.07063	100.0
82.07378	1.1
83.04973	3.5
83.08621	7.9
85.06548	10.3
85.10171	4.8
91.05485	28.1
93.06479	2.1
93.07050	28.9
95.04968	4.3
95.08614	77.4
97.06526	10.5
97.10164	3.6
99.08112	12.0
105.04533	1.2
105.07036	17.5
106.77569	1.3
107.08607	16.6
107.70113	1.2
109.06495	2.6
109.10166	27.6
111.08081	6.5
113.09635	4.9
113.83924	1.2
117.07027	2.5
119.08591	22.9
121.10152	22.4
123.04404	1.8
123.08076	6.2
123.11714	18.5
127.11172	3.2
129.07059	1.4
131.08540	2.8
133.10138	28.6
135.11700	19.3
137.05975	1.5
137.09610	4.2
137.12218	1.4
137.13271	27.3
147.04416	4.9
147.11705	15.6
149.13232	6.8
151.11263	2.2
151.14828	9.2
153.12758	2.1
161.13272	15.7
166.45000	1.2
175.14845	6.6
177.16286	1.5
179.10660	10.1
189.16396	2.9
191.18007	1.9
193.10143	2.0
205.10138	3.5
206.10960	1.9
217.19534	48.3
217.21622	2.6
220.12399	3.4
221.13156	1.8
235.11357	2.1
235.14780	7.1
235.16974	33.3
235.20566	76.6
236.20955	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	235.2058
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
53.03935	2.9
55.01866	2.7
55.05266	1.4
55.05512	15.6
57.03427	3.8
57.06792	1.3
57.07079	22.9
57.39260	0.9
58.55147	0.8
65.03936	2.8
67.05508	88.2
69.03415	1.3
69.06731	1.3
69.07075	16.8
69.31377	4.0
69.31799	3.6
71.04980	4.0
71.08629	6.1
77.03907	0.8
79.05068	1.4
79.05495	22.4
81.07059	100.0
83.04980	2.3
83.08620	8.8
85.06547	12.7
85.10187	4.3
89.30534	0.9
91.05480	26.6
93.07051	28.4
95.04990	4.5
95.08612	78.7
96.08923	1.2
97.06529	10.0
97.10160	3.0
99.08105	14.5
99.98734	1.0
105.07032	16.3
107.08600	15.0
109.06499	4.1
109.10164	30.8
111.08100	7.1
111.11702	1.3
113.09644	7.1
117.07005	1.7
118.08609	1.0
119.07809	1.7
119.08589	21.2
121.10139	24.0
123.08069	4.9
123.11704	16.9
125.09666	1.7
127.11222	2.3
131.08560	2.9
133.10139	26.7
135.11699	17.9
137.09653	4.7
137.13260	22.5
139.11182	3.1
145.10094	1.9
147.04449	1.2
147.11690	17.2
149.09619	3.1
149.13257	6.1
151.11197	2.9
151.14839	8.3
153.12749	3.2
161.09613	1.7
161.13243	12.7
163.14803	1.7
165.12767	3.6
175.14828	6.6
179.10634	2.5
189.16325	2.6
191.18024	1.4
217.15996	2.6
217.19527	40.5
218.19731	0.9
235.16980	15.2
235.20569	64.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2059
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
51.70461	1.1
53.03937	2.9
55.01867	3.3
55.05516	16.8
56.98096	1.4
57.03424	3.7
57.07083	29.5
65.03934	3.1
67.05511	77.8
68.29136	1.3
69.03440	1.4
69.07069	22.4
69.28103	2.1
69.28509	8.3
71.04979	3.9
71.08624	4.6
72.08156	2.7
73.35039	1.1
77.03914	1.7
79.05499	40.8
81.07065	100.0
83.04984	5.3
83.08628	11.1
85.06560	8.9
85.10184	3.1
88.00781	1.3
91.04910	1.4
91.05490	33.0
93.07051	63.7
95.04965	5.0
95.08615	85.0
97.06540	11.1
97.10176	6.2
99.08107	7.7
103.05470	1.2
105.07045	32.8
107.04978	1.5
107.08607	34.5
109.06529	6.0
109.10168	37.6
111.08073	4.6
111.11707	1.4
113.09615	3.1
117.07014	2.7
118.08666	1.8
119.04972	1.6
119.08594	35.3
120.63960	1.0
121.10159	49.3
123.04402	2.4
123.08086	6.5
123.11713	16.2
125.09641	3.4
131.08554	2.4
133.10141	36.4
135.08047	2.3
135.11702	37.9
137.09656	5.8
137.13266	8.2
139.11163	3.3
143.08524	1.9
145.10097	2.1
147.04405	6.7
147.11694	27.1
149.13268	11.9
151.11159	4.5
151.14810	5.5
153.12796	2.9
157.10165	2.0
159.11761	1.4
161.09595	1.9
161.13277	24.4
163.14812	3.2
165.12749	2.9
173.13206	2.0
175.14838	11.6
177.16342	3.1
179.10689	11.3
179.14345	1.8
189.16354	6.7
191.16464	1.2
191.17905	7.2
196.45877	1.3
199.14801	2.0
217.16086	2.3
217.19534	60.2
218.11786	1.1
220.12579	1.2
235.11172	1.4
235.13110	1.7
235.14941	2.9
235.16936	45.7
235.20567	84.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1694
Annotation	1(10),4-Cadinadien-14-oic acid
Peak:m/z	Relative Intensity
53.03932	3.4
53.59058	2.2
55.01874	4.8
55.05519	14.9
55.08573	2.2
56.96564	4.5
57.03423	2.7
57.07073	21.9
59.04993	3.4
65.03952	2.8
67.05503	20.2
68.06254	2.2
69.03423	5.5
69.07072	15.8
69.72248	11.7
70.06592	3.5
71.04994	7.2
72.08149	8.7
73.02910	10.0
79.05492	21.2
81.07057	43.2
83.04974	6.1
83.08604	6.8
84.08133	2.2
85.02928	3.3
91.05486	48.5
93.07047	37.3
94.03075	2.5
95.04976	17.8
95.08611	41.0
97.06526	6.9
97.10278	3.0
98.97562	13.3
101.05995	2.5
103.05447	2.9
105.02197	2.2
105.07036	74.5
107.08600	37.1
108.27473	2.1
109.06521	9.2
109.10162	24.8
110.97549	10.6
111.08076	5.3
115.05474	2.9
117.07024	10.1
118.08679	4.2
119.03632	2.3
119.04851	3.7
119.08580	54.6
120.08128	21.1
121.06511	3.6
121.10163	16.5
123.08046	6.3
123.11695	5.1
128.06291	2.8
128.98645	5.6
129.07031	7.3
129.51627	2.2
130.06532	6.2
131.08568	47.1
132.95828	2.5
133.06490	2.4
133.10136	91.5
135.08049	8.1
135.11705	15.1
136.06183	42.3
137.04567	9.0
137.06642	29.5
137.09566	6.3
139.07581	2.6
142.07782	7.7
143.08569	14.1
145.10127	18.7
147.04407	17.1
147.08061	6.3
147.11693	47.7
149.09633	6.3
149.13284	7.0
151.07538	2.7
151.11189	2.5
157.10170	14.3
158.99667	5.9
159.09116	3.4
159.11697	21.8
161.09627	12.2
161.13257	9.3
165.09166	5.4
170.99651	2.8
171.11722	9.5
173.13216	11.4
175.11198	34.3
175.14816	39.3
177.12814	4.3
179.10667	31.0
189.12764	4.7
189.16388	57.7
191.14328	6.1
193.15889	25.5
199.11302	2.4
199.14827	17.3
205.15955	3.2
217.12372	5.5
217.15897	37.6
235.13794	57.1
235.16953	100.0
236.17288	2.5
250.81363	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	235.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21204	0.1
54.13120	0.2
58.06599	3.4
59.07383	3.0
60.26862	0.2
61.94579	0.2
64.13795	0.2
71.01878	0.3
80.87652	0.1
83.73087	0.2
84.10923	0.2
92.52914	0.2
110.48312	0.1
112.93519	0.2
118.08662	100.0
119.09009	0.7
128.05507	0.2
132.10225	0.7
155.02638	0.2
162.09875	0.2
235.16623	0.5
240.45575	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1693
Annotation	Macrophyllic acid A
Peak:m/z	Relative Intensity
53.03940	3.2
55.01870	3.9
55.05316	1.3
55.05515	16.6
57.03434	1.5
57.07077	22.3
59.04990	3.2
63.73097	1.5
64.55785	1.6
65.55444	1.6
67.05511	46.8
69.03400	2.8
69.07069	23.6
70.44937	3.5
70.45341	3.5
71.04980	5.5
71.08625	2.8
79.05492	30.7
81.03424	2.4
81.07060	70.5
83.04978	5.6
83.08619	10.3
85.06535	8.9
85.10250	2.2
87.72005	1.5
91.04975	2.5
91.05486	29.0
91.78490	1.5
93.07050	45.8
95.04961	7.7
95.08613	68.9
97.06543	11.1
97.10165	4.9
99.08083	4.9
105.07041	40.1
106.07367	1.6
107.04948	2.5
107.08599	44.6
109.06529	10.7
109.10161	34.7
111.08080	7.3
112.88129	1.6
113.09682	2.4
117.07013	5.8
119.08592	100.0
121.06485	3.8
121.10151	41.3
123.08067	7.2
123.11717	15.4
125.09617	2.0
128.06192	3.0
129.07011	3.8
130.90501	1.6
131.08549	15.4
133.06540	2.5
133.10141	64.5
135.08055	19.7
135.11710	27.3
137.09619	7.7
137.13252	6.2
139.11163	2.1
142.07758	5.3
143.08563	7.3
145.10149	13.5
146.07253	2.7
147.04404	3.6
147.08025	4.7
147.11691	32.5
149.09630	4.5
149.13284	9.6
151.11194	11.1
151.14786	3.2
153.12862	1.7
156.09390	2.6
157.10098	12.7
158.10954	1.7
159.11752	13.7
161.09628	28.3
161.13283	16.9
162.19934	1.6
163.14833	2.7
165.12775	2.8
170.10881	1.9
171.11697	8.4
173.13252	19.0
174.14058	2.2
175.11188	13.8
175.14842	21.6
177.12758	5.7
179.10664	17.2
179.35617	1.7
187.11212	3.5
187.14833	2.8
189.12782	2.7
189.16405	21.7
191.14337	2.3
191.17911	4.7
193.10028	2.1
193.15858	3.4
199.14877	10.8
202.13652	1.7
217.15910	88.4
217.19394	32.3
218.16376	1.8
235.14896	4.7
235.16937	86.8
235.20580	44.9
236.17328	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	235.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22119	0.2
55.05498	0.5
57.07077	3.8
67.05500	0.7
69.07069	0.4
70.71371	0.5
70.71715	0.2
79.05482	0.7
81.07050	0.7
90.65977	0.2
91.05461	0.7
93.07073	1.1
95.04976	0.3
95.08595	0.6
105.07024	0.7
107.08614	0.4
109.10171	0.5
119.08566	0.7
121.10126	0.4
123.04450	0.4
123.08051	0.4
129.07013	0.3
131.08627	0.3
133.10135	0.4
143.08554	0.5
146.44637	0.3
147.04436	0.7
147.11682	0.4
155.08507	0.2
157.10164	0.3
165.06992	2.8
166.07779	0.6
167.08655	0.5
178.07799	3.3
179.08571	24.0
179.10648	2.3
180.09097	0.6
181.06487	0.4
181.10065	0.4
189.06999	0.5
190.07794	1.3
191.08571	6.9
191.10310	0.4
192.09352	15.8
193.10150	10.2
194.10922	50.5
195.08093	0.9
195.11230	1.1
202.07780	4.4
203.08539	1.9
205.06529	5.1
205.10130	4.0
206.10896	1.5
207.08063	0.7
207.11710	12.7
208.08913	0.3
208.12178	0.4
215.08585	0.7
216.09338	0.3
217.10185	1.5
217.15936	0.5
217.19514	0.3
218.07295	0.5
218.10617	0.3
219.08093	6.4
219.11681	0.7
220.08850	22.1
220.12166	3.7
221.09262	0.7
221.13426	0.2
233.09674	1.6
234.10229	0.8
235.11188	100.0
235.14832	43.9
235.16966	8.1
236.11514	2.6
236.15190	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	2.3
58.59314	0.2
64.73130	0.3
67.05502	0.6
69.07063	0.5
71.51189	0.3
72.08127	0.3
74.94069	0.2
75.94057	0.2
78.70914	0.2
79.05489	0.3
81.07043	0.8
91.05465	0.7
93.07054	0.6
95.04942	0.3
95.08583	0.4
105.07037	0.8
107.04978	0.3
107.08566	0.3
109.10149	0.3
119.08560	0.6
128.06264	0.5
129.06984	0.3
131.89464	0.2
133.10135	0.3
142.01602	0.2
142.14920	0.2
143.08603	0.5
147.04347	0.2
153.07005	0.2
165.07007	2.6
166.07703	0.5
166.17331	0.2
167.08566	0.8
178.07797	3.5
179.08566	24.4
179.10675	1.1
180.09180	0.8
181.10045	0.6
189.07027	0.7
190.07751	1.2
191.08560	8.1
192.09349	16.5
193.10141	10.8
194.07364	1.2
194.10921	49.8
195.08099	0.9
195.11357	1.0
202.07799	5.2
203.08516	2.4
205.06532	4.3
205.10139	4.0
206.07077	0.5
206.10860	1.7
207.08080	0.7
207.11710	13.6
208.12057	0.4
209.09720	0.2
215.08641	0.8
216.09274	0.4
217.10210	1.4
218.07318	0.9
218.11021	0.3
219.08063	6.6
219.11658	0.9
220.08844	22.5
220.12177	3.5
221.09282	0.6
226.17598	0.2
233.09612	1.7
234.10164	0.6
235.11185	100.0
235.14827	43.9
235.16933	4.6
236.11487	2.8
236.15172	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1331
Annotation	Isorupestonic acid
Peak:m/z	Relative Intensity
51.02370	0.7
53.03946	4.7
55.01880	4.5
55.05514	6.9
56.96558	0.7
57.03424	1.1
57.06829	0.8
57.07080	9.9
59.04989	1.4
65.03934	2.1
67.05508	11.1
69.03433	5.9
69.06793	0.5
69.07073	5.5
70.06576	1.1
71.01332	1.1
71.04990	2.5
71.50358	1.0
72.08153	2.6
73.02906	0.7
77.03917	2.0
79.05499	29.0
81.03424	2.1
81.07059	47.3
83.04985	8.4
83.08625	1.4
84.08119	0.7
85.06536	2.7
86.09731	0.7
86.39270	0.7
89.10802	1.0
91.05485	31.9
93.07047	47.6
94.07377	0.8
95.04976	15.7
95.06084	2.2
95.08063	1.1
95.08611	13.8
97.06525	11.4
97.10140	0.8
98.97554	1.3
99.04480	5.3
101.06073	0.7
103.05491	2.8
105.04525	2.0
105.07030	30.9
107.04958	9.9
107.08605	14.9
109.06523	27.5
109.10179	3.8
111.04465	1.5
111.08062	3.7
115.05465	1.9
117.07025	5.3
118.08671	2.1
119.04945	3.7
119.08582	21.1
120.08105	6.6
121.06509	100.0
121.10139	5.5
122.07310	0.7
123.04440	3.6
123.08068	5.8
123.11697	1.2
125.06007	2.9
125.09673	0.8
127.07560	9.3
127.86562	0.6
128.06258	3.7
129.07010	8.0
130.06528	4.5
130.07773	1.2
131.08553	8.6
132.95830	1.3
133.06494	5.8
133.10133	13.2
135.04463	4.7
135.08058	7.1
135.11684	3.8
137.05971	5.5
137.09598	1.1
139.07555	4.7
141.05548	0.7
141.06970	2.0
142.07780	6.6
143.08565	12.9
144.08104	1.0
145.06482	1.7
145.10138	7.4
147.04420	6.2
147.08043	5.7
147.11688	21.7
149.09647	2.6
149.13257	1.1
151.07579	1.3
151.11211	1.0
155.08511	1.9
156.09346	4.6
156.43622	0.6
157.06497	1.4
157.10138	15.7
158.07312	0.8
159.08087	1.7
159.11703	3.2
160.08858	1.2
161.05974	3.1
161.09659	4.2
161.13264	7.7
161.79095	0.6
163.14835	1.2
165.07010	2.4
165.09088	0.9
165.12775	2.0
166.07767	3.1
171.08089	1.8
171.11708	14.2
173.09610	1.6
173.13249	2.2
174.96770	1.0
175.07553	1.8
175.08772	1.7
175.11206	22.4
175.14864	4.0
176.11531	0.7
177.09219	0.7
177.12718	2.9
179.08456	0.7
179.09229	0.9
179.10672	7.8
181.10167	4.5
183.08072	0.7
184.08875	2.4
189.09145	0.8
189.12758	21.1
189.14485	1.3
189.16380	4.4
191.10657	0.9
191.14369	0.8
193.12286	1.0
193.15903	3.6
199.09319	1.0
199.11198	21.6
199.14847	2.0
215.09525	0.7
217.12248	38.4
217.15529	4.8
217.19402	1.0
227.35411	0.6
235.07803	0.9
235.11057	0.9
235.13335	26.0
235.16974	34.3
235.20654	1.4
236.17303	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1492
Annotation	4-(2-ethyl-6-methylphenyl)-5-methylmorpholin-3-one
Peak:m/z	Relative Intensity
53.03942	1.2
55.01883	0.8
55.05515	3.3
56.05040	1.0
57.07062	1.1
59.04992	1.0
62.55831	0.5
67.05509	3.8
68.05033	5.4
69.03427	1.0
69.07060	1.2
69.34084	4.5
70.06597	12.6
72.08159	1.4
76.18331	0.5
79.05499	10.8
80.05018	1.5
81.03413	1.6
81.07060	3.7
82.06578	0.8
82.07404	0.6
83.04990	0.6
84.08127	1.5
88.96784	0.5
91.05494	18.7
93.05798	1.5
93.07053	19.2
94.06580	1.1
95.04971	1.6
95.06085	2.2
95.08631	3.2
96.08128	2.1
98.91703	0.5
98.97595	2.1
100.07626	11.2
103.05495	2.0
104.06277	0.7
105.07037	7.4
106.06565	2.0
106.07355	0.9
107.04964	1.2
107.07339	1.7
107.08595	2.0
108.08128	3.5
108.08778	0.7
112.08721	1.8
114.05544	9.5
115.05435	0.8
116.07104	0.8
117.07037	4.9
118.06627	2.5
118.07322	0.8
119.08590	36.0
120.08130	5.0
120.08883	0.8
121.06530	0.6
121.10153	3.6
122.09670	1.2
123.08047	1.4
126.05499	0.5
128.07083	9.0
129.07132	0.5
131.04959	2.3
131.08609	0.8
132.08080	1.8
132.08936	0.7
133.08904	1.1
133.10138	2.4
134.09660	3.1
134.10515	0.7
136.06192	9.4
137.04735	3.8
137.05754	0.6
140.07091	1.1
142.08627	0.9
143.08557	0.7
145.10161	1.2
146.09625	2.3
147.08054	0.7
147.11641	0.5
148.11188	0.7
154.08638	6.7
157.10033	0.5
158.09634	0.7
158.30331	0.6
158.99649	1.5
160.11211	8.3
161.11978	0.9
164.07082	24.9
165.07918	1.2
165.09111	0.7
168.10214	1.0
174.10175	0.6
174.12714	5.1
175.07445	0.8
176.11461	0.5
178.08630	3.2
179.09439	1.4
188.14322	5.3
190.08662	0.8
192.10234	1.7
204.10172	0.9
205.10992	3.6
206.11761	0.8
213.07814	0.6
216.14651	0.6
217.15762	0.8
218.11783	1.8
225.91827	0.5
234.14940	100.0
235.14973	1.0
235.17210	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	234.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.05513	3.9
57.03427	0.7
57.07080	1.1
59.05005	0.7
65.48557	0.6
67.05505	4.3
68.05032	4.6
69.03465	0.9
69.07063	1.5
70.06599	12.6
70.48135	0.7
70.48476	1.5
71.04984	0.7
72.08157	1.9
79.05499	11.9
80.05015	1.2
81.03410	1.7
81.07059	2.9
81.12482	0.6
82.06571	1.2
82.07374	0.5
84.08146	2.2
91.05488	18.6
92.05827	0.6
93.05794	1.3
93.06480	1.2
93.07051	19.1
94.06574	0.7
95.04984	1.6
95.06098	2.2
95.08608	4.2
96.08141	2.7
97.06561	1.1
98.97606	3.1
99.08047	0.7
100.07627	10.7
101.64491	0.5
103.05476	2.6
105.07043	9.5
106.06561	2.7
107.07346	1.3
107.08595	2.1
108.08117	3.1
111.08048	0.7
112.08746	1.1
114.05537	7.7
116.07144	0.6
116.98605	0.9
117.07046	5.4
118.06547	1.8
119.08590	36.3
120.08111	4.7
121.06522	1.2
121.10162	4.3
122.09646	1.5
123.04423	0.7
123.08064	0.7
128.06207	1.2
128.07085	8.1
129.07018	0.7
131.04935	4.5
131.08572	1.2
132.08104	1.7
132.08980	1.1
133.08838	0.8
133.10136	2.8
134.09662	3.7
135.08153	0.7
136.06194	12.6
137.04723	2.7
140.07076	0.8
142.08649	1.2
145.10100	1.7
146.09595	3.3
146.10643	0.8
147.04468	1.2
147.11598	0.8
148.11134	0.9
154.08644	6.4
158.09622	1.2
158.99651	1.3
160.11189	7.9
161.09619	1.0
161.12057	1.1
164.05699	1.3
164.07077	23.6
165.07874	1.2
168.10204	1.0
173.13228	0.9
174.10036	1.0
174.12732	5.0
177.00726	0.8
178.08603	4.0
179.09373	1.5
188.14334	6.6
190.08643	0.7
192.10245	2.1
204.10229	0.8
205.10971	5.3
206.15260	0.6
218.11778	0.9
234.14952	100.0
235.15018	1.3
235.17026	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	234.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37421	0.2
55.05504	0.2
62.96992	0.1
65.69422	0.2
67.05494	0.3
67.57197	0.2
70.06586	0.2
71.50377	0.2
72.08128	0.2
72.88664	0.2
79.05467	0.3
80.46401	0.2
81.07069	0.4
84.08138	0.4
91.05485	0.2
95.04998	0.2
95.08592	0.3
105.07033	0.4
106.07422	0.2
107.08587	0.2
119.08587	0.4
120.08957	0.2
123.11761	0.2
135.07835	0.2
136.06180	0.7
136.07527	0.2
165.07068	0.9
177.06955	0.2
178.07777	2.2
179.08580	2.3
179.10275	0.2
189.06973	2.4
190.07773	6.5
191.08559	54.9
192.08940	1.6
201.06920	0.2
202.07759	2.4
203.08563	9.7
204.09219	0.9
205.06548	0.5
205.10118	1.4
206.07178	0.3
206.10670	0.3
207.08104	1.7
215.08667	0.2
217.06454	0.4
218.07300	2.7
219.08052	48.9
220.08539	1.9
229.07651	0.7
233.09621	7.9
234.10393	100.0
235.07535	4.3
235.10878	4.2
235.13126	0.2
235.16959	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	1.5
57.03444	2.6
59.35452	0.3
61.33553	0.3
69.76638	1.3
69.77062	1.1
79.05498	0.9
81.07059	5.8
93.98318	0.4
94.04050	0.7
99.08106	0.5
109.05139	0.5
112.36842	0.4
119.03542	3.1
123.48827	0.4
136.06195	96.7
137.04614	0.6
137.06566	0.5
146.04608	1.0
148.06210	0.9
190.10927	3.0
216.12466	18.2
234.13516	100.0
235.13861	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	234.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.3
57.03440	2.6
59.85239	0.2
70.79858	0.8
79.05512	1.3
81.07065	4.2
83.27285	0.3
88.22221	0.2
94.04070	1.9
98.97605	0.7
99.08105	0.5
103.86916	0.3
110.39226	0.3
119.03548	3.2
120.08075	0.4
136.06194	100.0
137.04597	1.2
137.06544	0.6
140.85286	0.3
148.06165	0.5
158.99562	0.3
182.12975	0.3
190.10890	2.2
213.05763	0.3
216.12381	0.3
234.13512	63.5
235.13762	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
55.05509	0.7
57.03434	2.5
58.49269	0.3
59.84771	0.2
70.61976	0.8
79.05491	1.2
81.07064	4.4
86.61025	0.2
94.04054	1.1
99.08105	0.4
106.73886	0.2
109.05121	0.3
109.91171	0.2
116.00208	0.3
119.03545	3.3
136.06194	100.0
137.04591	1.1
137.06578	0.5
148.06194	0.3
162.07838	0.3
190.10881	2.4
216.12537	0.7
234.13512	63.1
235.13737	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.104
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37863	0.2
55.05513	0.2
69.23679	1.4
78.57175	0.2
79.05479	0.2
81.07048	0.3
84.08107	0.2
91.05466	0.5
93.07038	0.2
96.08886	0.2
98.21466	0.4
98.97596	0.4
107.08605	0.2
108.58006	0.2
110.23403	0.2
119.04938	0.3
119.08548	0.2
121.10186	0.2
131.08554	0.2
132.95769	0.2
136.06197	0.7
136.07538	1.6
147.04379	0.2
157.89194	0.2
165.07005	0.7
178.07813	2.0
179.08548	2.3
189.06972	3.0
190.07771	7.3
191.08554	55.8
192.08900	1.6
201.07022	0.4
202.07797	2.1
203.08559	10.2
204.09366	1.0
205.06532	0.5
205.10059	1.7
206.07439	0.3
207.08092	1.5
212.96376	0.2
215.08508	0.3
217.06509	0.4
218.07274	3.0
219.08047	49.2
220.08568	2.1
229.07655	0.8
233.09622	7.9
234.10388	100.0
235.07524	3.9
235.10902	4.4
235.16934	0.5
246.23288	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1902
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
53.03952	4.0
55.01859	1.8
55.05519	13.3
55.54227	0.7
57.03426	3.2
57.07090	7.6
65.03935	1.9
67.05511	41.4
69.03465	0.8
69.07082	11.9
69.94221	3.7
71.04993	6.2
71.08620	0.9
76.04150	0.7
77.03935	1.2
79.05501	63.6
81.07065	42.3
83.04967	2.2
83.08639	8.1
85.06547	7.5
91.05488	35.2
93.07053	73.6
95.04986	4.6
95.08615	28.8
97.06545	8.2
97.10166	1.8
99.08105	5.0
105.04533	1.1
105.07043	24.6
107.04926	1.1
107.08605	46.6
109.06501	4.4
109.09464	1.2
109.10155	12.5
111.08080	7.4
113.09652	1.0
117.07024	11.7
119.08595	22.0
121.06493	1.0
121.10157	42.5
123.08061	3.3
123.11723	8.0
123.36105	0.8
125.09647	3.0
129.07001	1.6
130.07779	1.3
131.08580	30.2
133.10136	23.7
133.10976	0.6
135.08040	3.1
135.11703	54.5
136.12029	1.0
137.09605	4.5
137.13255	2.1
139.11205	1.1
143.08543	1.4
144.09467	1.1
145.10136	26.0
147.10538	0.9
147.11702	17.2
149.09612	5.1
149.13272	24.4
151.11188	3.8
154.74500	0.7
159.11696	22.2
161.13274	5.1
163.11226	2.3
165.12828	1.7
171.11754	1.5
173.13284	19.7
175.14868	2.4
177.12799	1.8
187.14839	7.0
189.16426	4.4
191.14328	0.9
205.15903	1.3
205.19514	3.0
215.17969	66.8
216.18298	1.4
233.19029	100.0
234.19356	2.3
242.74234	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
54.61909	0.8
55.01869	2.1
55.05510	14.7
57.03434	4.2
57.07078	7.8
60.75833	0.8
62.98333	0.8
65.03932	1.4
67.05505	39.3
69.07072	13.1
69.30858	3.0
69.31274	3.5
71.05004	6.5
71.08614	1.2
77.03922	1.2
79.05495	65.6
81.03394	0.8
81.07058	42.1
83.04982	2.1
83.08620	9.3
85.06552	8.8
91.04903	1.4
91.05481	31.3
93.07047	82.4
95.04977	5.9
95.08609	28.6
97.06535	9.2
97.10168	2.1
98.20748	1.1
99.08091	5.1
103.05481	0.8
105.04503	2.4
105.07035	24.6
107.04959	1.9
107.08598	43.0
109.06509	3.4
109.10162	12.4
111.08086	7.5
113.09636	1.4
117.07030	12.8
119.06149	1.1
119.08582	21.7
121.06506	1.3
121.10148	39.8
123.08076	3.1
123.11703	8.5
123.40424	0.9
125.09615	3.3
125.41797	0.9
129.07043	1.6
131.08571	28.7
133.10132	24.8
135.08038	3.4
135.11696	54.3
136.12025	1.0
137.09639	4.5
137.13286	2.3
139.11189	1.3
143.08530	1.1
145.10117	23.8
147.11693	19.2
149.09581	4.8
149.13264	25.4
151.11191	5.3
157.10168	1.0
159.11693	20.6
161.13261	5.1
163.11200	2.3
163.14809	1.7
165.12817	1.4
171.11684	1.2
173.13255	18.8
175.14772	2.4
177.12787	2.0
187.14868	7.9
189.16393	4.0
191.14368	2.0
205.19571	3.7
215.17960	66.9
216.18402	2.0
218.10719	1.1
233.13145	2.2
233.15662	4.6
233.19009	100.0
234.19368	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	233.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.8
53.03953	4.3
53.04160	0.9
55.01872	1.7
55.05271	0.9
55.05513	15.1
57.03422	2.5
57.07076	8.0
65.03934	1.6
67.05507	38.2
69.03402	0.7
69.06732	0.9
69.07070	12.4
71.04996	6.5
71.08631	1.1
71.50355	0.8
77.03911	1.0
79.05497	65.0
81.07062	41.7
83.04961	1.5
83.08620	6.8
85.06543	7.4
91.04902	1.6
91.05482	34.6
93.07048	75.5
94.07376	0.8
95.04981	6.9
95.08610	31.8
97.06530	7.2
97.10154	2.4
99.08087	5.2
103.05441	1.8
105.07034	27.2
107.04932	3.0
107.05646	0.7
107.08598	44.4
108.08961	1.1
109.06532	5.3
109.10155	14.2
111.08090	8.2
113.09635	1.3
117.07021	13.7
119.06024	1.1
119.08588	22.1
121.06491	1.9
121.10147	42.2
122.10507	0.9
123.08082	5.1
123.11713	7.7
125.09621	2.3
129.06995	1.8
131.07597	1.3
131.08578	29.9
133.10139	26.4
135.08110	3.4
135.11696	52.0
136.12042	0.8
137.05966	1.0
137.09615	6.2
137.13254	2.7
139.11206	1.3
143.08609	1.7
144.09309	1.0
144.83191	0.7
145.10130	26.0
146.10413	0.8
147.11699	16.4
149.08540	1.1
149.09615	7.9
149.13271	24.4
151.11200	4.5
153.12685	0.9
157.10066	1.1
159.08076	1.1
159.11693	22.3
161.13281	5.4
163.11191	2.5
163.14824	1.4
165.12805	1.6
171.11742	0.9
173.09639	0.9
173.13277	19.4
175.14835	2.7
177.05435	2.0
177.12761	1.3
178.06261	3.1
187.14803	10.4
189.16403	5.2
191.10793	0.9
191.14384	1.8
197.13339	1.1
205.15875	1.2
205.19504	2.4
215.14395	2.1
215.17964	67.7
216.18268	1.5
233.11621	2.4
233.15552	10.1
233.19011	100.0
234.19341	2.4
235.22504	0.7
243.14734	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1901
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
52.39854	0.6
53.03936	3.6
55.01865	2.6
55.05511	14.7
57.03444	3.5
57.07077	8.6
65.03938	2.7
67.05509	40.9
68.36035	0.7
69.03423	1.7
69.07069	12.0
71.04996	5.9
71.08631	1.7
71.51133	0.8
77.03912	0.9
79.05498	66.5
81.07059	43.6
83.04988	1.4
83.08612	7.0
84.76671	0.6
85.06548	7.6
90.59248	0.7
91.04906	1.2
91.05485	32.3
93.07048	72.1
94.07378	0.7
95.04971	6.1
95.08610	28.9
97.06544	7.6
97.10152	2.4
99.08103	5.3
103.05449	0.8
105.04514	1.7
105.07034	24.6
107.04971	6.6
107.08598	44.8
109.06519	4.9
109.10165	12.9
111.08089	8.3
113.09649	1.6
115.05466	0.7
116.06204	0.7
117.07021	11.9
119.08588	21.6
121.06508	1.9
121.10149	43.1
123.08077	3.1
123.11720	8.6
125.09609	2.6
129.06978	1.4
130.07806	1.2
131.08575	30.4
131.47108	0.7
133.06433	0.7
133.10138	24.0
135.08147	3.4
135.11697	51.2
136.12042	1.2
137.09650	5.5
137.13275	1.0
139.11172	1.6
143.08533	0.8
144.09329	0.6
145.10124	28.1
146.10498	0.7
147.08075	1.1
147.11697	17.3
149.09650	6.8
149.13266	26.4
151.11172	5.1
157.10120	2.3
158.10809	0.7
159.11702	21.1
161.13258	5.7
163.11189	2.7
163.14806	0.9
165.12689	0.8
171.11620	1.2
173.13269	20.3
175.11122	1.2
175.14825	4.0
177.09111	0.7
177.12796	1.8
187.14842	9.7
189.12685	0.8
189.16367	4.3
191.14310	6.3
205.15884	0.9
205.19496	3.1
215.17964	66.3
216.18324	1.4
233.15504	16.3
233.19011	100.0
234.19373	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	233.1749
Annotation	3,12-dihydroxydodecanoic acid
Peak:m/z	Relative Intensity
53.03935	11.2
55.01865	10.2
55.05516	29.5
56.96566	10.5
57.03417	8.5
57.07067	11.1
59.04994	8.2
65.03931	4.9
66.28612	3.7
67.05505	51.1
67.46965	3.3
69.03421	20.6
69.07068	38.0
70.06580	11.6
71.04999	20.2
71.50310	5.2
72.08137	16.7
73.02904	5.6
74.06059	4.9
79.05490	53.7
81.03399	9.9
81.06600	7.2
81.07056	100.0
83.04970	9.9
83.08604	15.7
84.08119	12.3
85.02902	13.1
85.06521	16.5
86.09702	15.1
87.04468	5.0
91.05481	71.1
93.07048	58.4
94.56393	3.6
95.04987	24.5
95.08612	86.5
97.02875	11.3
97.06532	31.4
97.10181	11.6
98.97577	26.3
99.04468	5.1
99.08096	6.4
103.05477	9.7
105.07037	82.8
107.04950	41.2
107.08601	33.5
109.02887	4.0
109.06504	14.2
109.10174	23.3
110.97586	4.0
111.04375	4.5
111.08086	11.2
115.05434	14.0
116.06223	6.6
116.98671	4.6
117.07022	30.3
119.04917	11.4
119.08590	73.2
120.08121	17.8
120.08844	3.7
121.06498	28.8
121.10137	31.5
123.08075	14.3
123.11672	5.2
127.07560	6.0
128.06190	9.9
129.07040	26.4
130.07797	7.9
131.04945	7.3
131.08575	42.5
133.06491	8.1
133.10144	49.6
135.08038	12.3
135.11702	24.5
136.06157	12.7
137.05969	18.4
137.09607	10.1
137.13235	16.0
139.07512	7.5
141.06993	8.8
142.07738	11.2
143.08560	15.0
144.05698	13.4
144.09372	8.7
145.06480	14.1
145.10126	77.3
147.08018	13.4
147.11710	23.4
149.09625	16.2
149.13307	8.3
151.11087	4.9
155.04877	5.3
155.08592	7.6
155.14348	5.4
157.10109	25.2
158.07285	6.0
158.99698	6.1
159.08069	24.4
159.11696	42.9
161.09558	6.3
161.13269	52.1
163.07530	6.3
163.11162	15.7
164.07092	7.3
167.08589	6.2
169.10097	10.3
170.99667	6.9
171.11693	8.6
172.08812	7.6
173.05991	5.0
173.09636	64.7
173.13194	28.1
175.07489	12.5
175.08839	4.1
175.11209	12.2
177.09090	10.2
177.16457	5.3
179.14328	18.8
182.10834	6.8
185.09534	4.8
187.07518	17.6
187.11179	24.4
187.14764	27.8
189.09061	5.0
189.12709	7.3
189.16220	5.4
191.03560	8.0
191.14278	12.3
197.09528	5.2
197.13251	12.3
197.15334	4.7
205.06526	5.1
205.15895	7.4
215.07050	40.9
215.10631	15.1
215.14369	36.4
215.17865	16.8
216.10132	6.3
218.07314	6.6
219.01765	9.3
233.04301	5.6
233.07866	30.4
233.09795	4.8
233.11613	29.0
233.15326	99.7
233.18912	31.2
234.14993	14.8
237.02820	4.6
239.08688	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	233.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47386	0.4
55.01897	0.4
55.05523	0.7
59.05009	38.6
67.05534	0.5
70.76092	1.0
70.76427	0.5
79.05503	0.8
91.05494	2.8
95.04965	0.7
105.07040	1.2
105.64736	0.5
115.05424	2.6
117.07014	1.2
119.08611	1.1
120.08143	0.5
124.41068	0.4
128.06223	2.2
129.07021	11.9
131.08588	2.2
135.08076	0.8
137.06015	0.4
141.07010	6.8
142.07794	59.1
143.08305	0.9
145.10115	2.9
147.11682	0.4
153.07021	1.5
154.07854	0.9
155.08580	6.1
156.09343	3.2
157.10144	100.0
158.10527	2.0
159.08069	18.6
159.11668	0.8
167.08572	6.9
168.09444	2.0
169.07713	1.0
169.10144	6.1
173.09665	2.2
173.13287	0.9
181.10120	0.9
182.10927	22.6
183.11304	0.6
187.11243	0.5
187.14865	0.6
197.13289	30.7
198.13576	0.7
215.10754	0.5
215.14334	4.1
233.11897	0.5
233.15376	4.8
234.13431	0.5
234.15686	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1538
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
53.03940	3.5
55.01865	3.9
55.05515	9.3
56.05029	1.9
57.03439	3.0
57.07064	5.2
59.04989	5.7
59.06128	2.9
65.03926	2.0
67.05511	15.7
69.03437	7.8
69.07069	10.7
70.06593	1.8
71.04984	6.0
71.39079	2.9
72.08149	6.1
74.06083	2.2
79.05492	19.9
81.03405	2.0
81.07071	20.6
83.04993	7.4
83.08602	4.9
85.06544	3.8
86.09695	1.9
88.07635	2.6
89.07150	4.8
90.78426	1.3
91.05489	29.1
93.07058	26.1
95.04980	9.2
95.08620	17.9
97.06528	7.3
98.97550	2.5
99.04439	2.4
101.06019	2.0
103.05460	4.3
103.08710	3.3
104.95150	1.5
105.07037	40.7
107.04942	5.9
107.08603	23.5
109.06522	7.7
109.10178	6.8
111.08090	5.2
115.05470	4.5
116.06245	3.3
117.07030	16.1
119.04941	3.1
119.08588	38.2
120.08119	6.3
121.06530	9.7
121.10098	14.6
122.07320	1.8
123.08070	6.2
123.11738	2.7
125.09577	2.1
127.07567	2.7
128.06247	3.3
129.07043	7.7
129.10222	1.6
130.07800	3.4
131.08578	40.5
133.06491	3.0
133.10156	20.4
135.08086	11.5
135.11707	5.3
136.06194	3.2
137.05974	3.3
137.09625	4.0
139.07521	1.6
140.25441	1.3
141.07031	3.2
142.07767	3.8
143.08624	8.7
144.09348	4.0
145.06490	4.7
145.10138	47.5
147.08072	5.9
147.11707	14.5
149.05981	2.7
149.09628	19.9
149.13246	4.7
151.07539	2.3
151.11163	1.7
153.09073	3.6
155.08545	5.2
156.09407	2.8
157.10124	9.3
157.17090	2.1
158.07321	1.9
158.10907	6.1
159.08089	10.5
159.10466	2.1
159.11711	22.7
160.08821	2.1
161.09608	6.7
161.13278	4.9
163.07547	4.0
163.11166	3.1
167.08588	3.4
169.10135	2.5
171.07979	1.7
171.11659	7.7
172.05228	1.9
172.08832	5.2
172.12410	2.1
173.09639	18.1
173.13264	41.9
175.11203	6.3
175.14812	3.4
177.05455	2.2
177.09122	13.2
178.09923	1.5
182.10909	3.9
185.09604	4.5
186.10437	3.5
186.18538	5.0
187.07545	2.5
187.11203	6.4
187.14838	21.4
189.09204	2.0
189.12753	3.3
189.16408	3.1
189.19623	3.7
191.03419	18.6
191.10681	5.2
191.14313	6.2
197.05954	1.7
197.13217	7.3
200.12019	8.7
205.12363	3.0
205.15933	3.0
215.06998	4.0
215.10948	3.1
215.14346	39.7
215.17883	9.2
233.07996	11.2
233.11812	7.6
233.15385	100.0
233.18861	16.2
233.22200	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1538
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
51.30317	0.9
53.03940	2.6
55.01868	3.3
55.05515	12.8
56.78362	0.8
57.03419	1.3
57.07077	0.9
58.84919	1.0
59.05004	51.5
62.37390	0.9
65.03941	2.1
67.05244	0.7
67.05509	10.1
69.03422	3.6
69.07057	4.2
70.89769	1.6
71.04987	3.3
72.08163	2.3
77.03915	1.4
79.05495	15.8
81.03421	2.4
81.07056	12.4
83.04962	2.0
83.08612	2.1
84.08141	1.4
85.02883	2.9
85.06519	2.5
86.09702	2.0
91.05487	33.0
93.07046	12.3
95.04961	6.3
95.08619	10.9
97.06530	3.4
97.10165	2.5
99.04472	0.9
103.05461	3.1
105.04499	1.7
105.07034	22.0
105.75987	1.0
107.04963	8.1
107.08595	11.4
109.06513	4.0
109.10153	5.3
115.05449	6.5
116.06232	6.0
117.07021	10.5
119.04923	1.4
119.08582	14.7
120.08106	2.5
121.06475	4.8
121.10140	11.7
123.08073	4.1
123.11755	1.8
125.09618	1.7
128.06221	4.3
129.07013	17.4
130.07780	3.6
131.04942	3.0
131.08574	53.6
132.05708	2.8
133.06496	4.7
133.10152	12.8
134.07257	1.0
135.08073	5.7
135.11673	2.7
136.06235	1.1
137.09618	3.3
141.06999	8.5
142.07793	56.7
143.08565	6.5
144.09357	2.2
144.25157	1.0
145.06494	4.6
145.10133	28.7
147.08052	3.6
147.11688	7.5
149.05992	1.6
149.09637	4.2
149.13277	1.9
153.06976	1.3
154.07788	1.8
155.08575	9.5
156.09375	6.7
157.10132	100.0
158.07248	1.2
158.10965	4.4
159.08078	25.6
159.11691	11.9
160.08777	1.2
161.09610	2.7
163.07489	2.3
163.11177	1.6
167.08594	9.9
168.09352	1.7
169.07640	1.5
169.10141	8.8
171.11673	5.4
172.12489	1.2
173.09625	9.1
173.13266	18.6
175.11241	4.1
175.14830	1.0
177.09128	1.5
182.10913	24.9
185.09688	1.0
187.11243	3.2
187.14778	10.0
189.12769	1.5
189.16379	1.9
191.03429	1.7
191.10638	1.1
191.14357	3.2
197.11473	2.0
197.13261	36.1
215.14346	10.8
215.17873	10.3
233.11806	1.7
233.15375	54.4
233.18941	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	Oculatol
Peak:m/z	Relative Intensity
52.32437	1.4
53.03936	2.7
55.05502	6.3
57.07054	3.7
59.04989	3.9
67.05500	10.2
69.03091	1.5
69.03432	15.2
69.07056	4.6
71.01350	1.3
71.04929	8.0
77.03929	1.6
79.05496	33.1
81.07063	14.5
83.05003	2.9
83.08605	3.9
85.06557	7.4
91.05492	25.4
93.07049	16.4
93.27281	1.2
94.30556	1.2
95.04977	26.6
95.08615	10.4
97.06534	3.2
105.04546	1.4
105.07031	26.0
107.04969	35.6
107.08599	21.4
109.02903	1.4
109.06548	7.0
109.10154	9.8
111.08067	3.6
113.06011	3.1
115.05431	2.2
117.07026	8.5
119.05043	1.3
119.08590	92.2
121.06499	7.4
121.10162	17.6
123.08065	5.5
123.11741	3.2
125.09646	3.3
128.06195	1.7
129.07004	2.8
130.07756	5.1
130.76294	1.3
131.08577	23.2
133.06516	8.3
133.10139	14.6
135.08044	7.4
135.11655	2.8
137.09627	12.1
141.07016	2.4
142.07742	4.0
143.08566	5.1
145.06499	2.9
145.10133	30.9
147.08054	34.4
147.11696	21.6
149.09616	15.1
149.13261	4.0
151.07524	1.5
155.08548	3.5
156.09373	3.7
157.10144	10.9
158.07343	1.7
158.10878	3.9
159.08070	5.5
159.11667	10.5
160.08879	1.7
161.09625	2.5
161.13321	5.0
163.11183	6.8
163.14839	3.1
167.08554	2.6
169.10133	1.8
171.11647	6.0
172.12448	1.5
173.09679	7.7
173.13257	14.8
174.10396	1.4
175.11201	19.4
175.14777	1.7
177.09091	4.7
182.10905	5.4
187.14795	11.0
189.12764	9.2
191.08647	1.5
191.14319	46.7
197.13295	8.1
205.15904	3.1
215.14313	18.0
215.17915	4.3
231.34378	1.5
233.15376	100.0
233.19051	5.0
233.23018	2.5
234.15630	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	233.1539
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
52.48716	1.1
53.03949	4.3
55.01871	2.2
55.05516	11.7
57.03446	2.3
57.07074	2.9
59.05002	1.5
60.53146	1.4
65.03926	1.7
67.05513	18.7
69.03420	4.6
69.07082	5.8
71.04994	4.0
71.29192	2.4
75.26910	1.2
77.03947	2.1
79.05499	41.7
81.03432	1.5
81.07063	40.3
83.04986	2.5
83.08616	3.9
85.06548	3.4
91.04908	1.8
91.05489	45.0
92.06261	3.5
93.07051	64.6
95.04971	7.5
95.08616	33.1
97.06556	6.9
98.97603	2.9
99.04453	4.9
99.08115	1.2
103.05481	3.8
105.07043	60.2
106.07806	3.3
107.04976	6.7
107.08603	38.5
109.06526	5.5
109.10149	7.6
109.95507	1.2
111.08057	6.0
113.05999	1.6
116.06277	2.4
116.98619	1.4
117.07030	15.6
119.04971	1.8
119.08593	100.0
121.06519	7.7
121.09337	2.6
121.10157	45.1
123.04430	1.9
123.08057	4.0
123.11684	2.6
125.09635	1.6
128.06216	1.8
129.07033	4.2
130.07840	2.1
131.08578	37.2
133.06487	1.2
133.10139	57.3
134.10931	35.2
135.08084	6.6
135.11728	13.2
137.06030	1.8
137.09650	2.5
139.07584	3.8
142.07790	1.7
143.08562	4.0
144.09352	4.8
145.06509	2.1
145.10139	40.2
147.08058	1.7
147.11711	10.4
149.06000	4.7
149.09619	5.5
149.13248	5.1
151.07581	2.9
155.08595	3.6
157.10152	6.1
158.10942	2.0
159.08098	7.9
159.11708	59.0
159.13046	3.0
160.05276	1.8
161.13286	5.3
163.03964	6.4
163.07542	5.6
163.11232	2.3
169.10114	1.5
172.12447	2.0
173.09618	11.5
173.13246	9.6
175.07558	2.2
175.11270	1.9
175.14799	1.6
177.05498	43.4
177.09016	7.4
177.12772	1.9
178.06259	40.2
182.10948	1.9
187.11215	9.8
187.14835	41.6
187.16479	2.6
189.12694	2.3
189.16425	2.2
191.07021	12.9
191.10710	4.5
191.14337	5.6
197.13258	5.6
205.12213	6.6
205.15784	1.7
215.10706	6.4
215.14392	13.9
215.17903	13.6
218.11018	2.0
233.11679	27.6
233.15390	60.2
233.19028	29.6
234.15782	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	233.154
Annotation	Hypacrone
Peak:m/z	Relative Intensity
51.02365	0.5
53.03951	2.8
55.05522	3.8
57.07055	0.8
67.05493	1.5
69.03093	0.5
69.03428	5.2
69.07062	1.3
69.84397	1.0
69.84810	1.8
70.06616	0.5
77.03928	1.3
79.05500	55.1
81.03397	0.6
81.07066	3.5
83.04964	1.4
83.08630	6.1
85.06538	0.8
91.05508	4.0
91.52780	0.5
93.06562	0.5
93.07052	5.3
95.04974	4.0
95.08591	1.8
97.06537	0.7
105.04504	1.7
105.07043	8.1
107.04965	59.7
107.08608	10.7
108.05273	1.1
109.06519	1.5
109.10175	1.1
111.04433	0.7
111.08088	5.9
115.73761	0.5
117.07014	1.5
119.08579	6.7
121.06502	2.1
121.10159	6.7
123.08086	1.4
123.11732	0.8
125.09625	2.9
129.07010	0.7
130.39447	0.6
131.08592	4.8
133.10147	6.7
135.08044	1.5
135.11687	1.5
142.07884	0.5
143.08566	1.5
145.10146	3.8
147.08105	0.7
147.11708	7.7
149.09621	9.8
149.13268	3.7
150.10420	0.5
153.09126	0.7
157.10146	2.3
158.10902	1.9
159.08025	0.6
159.11728	1.9
160.08878	1.5
171.11697	0.6
173.09692	0.9
173.13254	6.5
175.11192	10.3
175.14946	0.6
176.46298	0.5
182.11017	0.6
187.14836	0.6
189.12740	0.9
191.14322	68.1
192.14664	1.1
197.13301	1.2
215.14316	2.3
215.17989	1.8
233.15381	100.0
233.19145	2.5
234.15680	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	233.1499
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
54.16874	0.5
56.05040	17.2
56.96555	0.6
57.03432	3.0
58.06608	3.1
59.03031	0.4
60.95878	0.5
70.94039	1.1
72.08164	1.6
74.06086	100.0
82.68298	0.5
84.04515	3.0
84.08162	1.2
85.08480	0.8
85.15424	0.5
86.09714	23.2
101.07129	2.2
120.08145	0.9
121.01704	1.1
132.10220	17.7
132.11179	1.0
140.98643	0.5
142.12265	0.6
143.11821	0.8
149.43495	0.4
169.13409	2.0
186.99211	0.5
187.14412	9.8
191.02234	0.7
215.12238	0.5
215.13925	2.7
233.15016	8.3
233.17169	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	Hypacrone
Peak:m/z	Relative Intensity
50.65639	0.9
50.83978	0.8
52.99649	0.9
53.03931	3.1
55.05503	3.0
57.07066	2.3
67.05489	3.8
69.03429	9.5
69.07030	1.7
71.04974	1.7
71.15529	2.2
77.03927	2.0
79.05495	56.3
81.07053	5.7
83.04968	1.8
83.08621	4.1
85.06530	3.8
91.05492	7.2
92.54491	0.9
93.07055	7.1
95.04983	4.3
95.08587	3.7
97.06528	1.2
101.19511	1.0
103.73154	1.0
105.04522	1.4
105.07028	12.5
107.04958	56.5
107.08591	13.0
109.06502	1.2
109.10148	2.3
111.08092	4.4
113.05989	1.3
117.07031	3.6
119.08588	14.9
121.06551	1.0
121.10147	7.7
123.08059	1.8
123.11691	1.0
125.09623	2.6
129.07028	1.5
130.07756	1.2
131.08562	10.4
133.10150	10.5
135.08046	2.1
137.09631	5.3
142.07797	1.6
143.08604	1.7
145.10124	12.0
147.08055	13.4
147.11707	13.3
149.09634	7.1
149.13251	3.2
153.09116	1.0
155.08618	1.2
156.09328	1.9
157.10118	6.9
158.10852	2.5
159.08005	1.9
159.11722	2.3
161.13338	1.2
163.11183	3.9
171.11691	1.9
172.12384	1.5
173.13237	8.3
175.11191	19.0
187.14853	3.7
189.12781	5.5
191.14311	60.3
197.13197	2.0
215.14346	7.7
215.17793	1.0
233.15369	100.0
233.19061	3.2
234.15791	2.3
244.62029	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05280	1.4
55.05517	22.6
57.03426	1.5
67.05182	1.2
67.05511	15.2
69.07072	21.5
70.06580	3.4
71.03025	1.7
71.04976	4.0
73.06534	1.0
79.05511	6.5
81.06597	2.2
81.07059	35.3
83.04987	2.2
83.08157	1.4
83.08616	18.6
84.08147	2.5
85.06552	5.8
91.05490	6.9
93.07053	8.9
95.08612	47.9
97.06522	7.0
97.10179	8.3
98.14986	1.0
99.08086	3.4
101.06019	1.1
103.05469	1.0
105.07067	8.2
107.08580	3.9
109.06516	2.0
109.10140	4.3
111.08076	1.9
114.09155	1.7
115.07596	1.6
119.08582	14.2
121.06502	2.6
121.10120	3.8
123.08105	4.5
133.10144	8.7
134.28099	1.0
135.11705	5.8
137.09583	1.8
137.13295	8.4
154.08693	1.6
161.13271	23.2
178.15895	2.5
179.14316	10.2
196.16983	16.8
197.15379	4.2
214.18037	100.0
215.18370	1.5
222.60219	1.1
232.19089	35.8
233.15428	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0061
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	7.7
65.58656	6.1
68.71269	5.7
69.03406	7.4
70.06591	6.3
70.43465	22.1
70.99822	7.5
72.08176	36.8
74.06074	22.7
82.99838	10.2
84.08125	7.8
85.01409	8.6
86.09712	12.4
93.69444	5.4
96.34824	7.4
101.00909	67.5
103.00639	18.7
103.02420	16.2
115.02452	24.4
115.47171	6.5
117.04074	8.5
119.01941	80.8
120.01949	8.0
121.01654	21.5
131.01883	17.7
133.02560	10.6
133.03490	100.0
133.68773	7.9
143.01900	63.0
143.24524	5.9
145.03445	19.8
147.03194	7.0
147.04996	15.9
149.13191	6.8
151.04520	23.8
155.01918	11.5
157.03423	9.2
161.02957	81.6
173.02927	32.8
175.04561	14.0
185.03041	8.4
187.04430	7.9
189.02461	11.2
191.03987	57.5
201.02470	22.1
205.05612	8.0
215.04094	13.9
233.01302	19.3
233.04924	61.3
251.02527	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	232.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	1.4
56.96557	2.4
58.74361	0.6
58.96158	0.7
61.01137	2.0
67.05478	0.7
67.09550	0.6
69.07068	3.4
70.06598	8.9
71.48823	0.8
72.08174	6.6
73.02897	0.8
74.06071	1.1
76.42584	0.7
82.99837	4.3
84.04510	1.2
84.08154	7.5
85.02917	0.7
85.08464	0.9
86.09715	59.5
87.10065	1.2
88.03987	1.5
90.05595	0.7
94.46413	0.8
97.06538	4.6
98.97579	3.1
100.02472	2.0
100.05066	0.9
100.07583	0.7
100.97185	1.2
100.98005	1.0
101.00893	27.8
102.00988	3.7
103.00613	0.9
103.02472	1.1
104.05318	0.8
110.07153	0.7
112.02465	2.2
113.00878	1.2
115.02425	1.6
118.03536	4.3
119.01936	40.2
120.02009	4.1
121.01648	1.5
126.07661	0.8
129.10228	2.8
130.03497	2.0
131.01904	4.0
132.02065	1.1
133.03503	3.5
134.03685	0.8
137.02954	6.0
137.04454	0.8
142.03529	0.8
143.01933	0.9
144.05055	2.5
144.08727	1.1
149.02956	1.3
154.03529	1.9
155.05588	1.5
157.03471	1.1
158.09296	0.8
161.02969	3.0
162.03168	1.6
168.08702	4.4
172.01567	1.0
172.04536	2.0
172.09679	1.0
173.02986	3.1
173.06607	1.8
175.04425	0.8
184.04605	0.8
186.03082	1.0
186.09784	37.6
187.09898	0.9
190.01068	0.9
190.02620	3.0
191.03999	3.3
191.07704	1.2
196.08200	1.9
197.06670	3.3
202.02649	0.9
202.05565	2.1
204.10834	9.4
205.03685	0.9
214.02463	0.9
214.09254	46.8
215.02231	2.0
215.07651	3.2
215.09486	1.3
220.03644	1.0
232.05035	2.4
232.10291	100.0
233.03148	1.6
233.05141	2.8
233.10553	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	231.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
53.44744	1.1
55.05518	21.6
57.07076	3.9
64.81471	1.0
66.70075	1.2
67.05179	1.8
67.05515	26.3
69.07072	11.8
70.32716	4.4
71.08626	1.3
77.03895	1.0
79.05506	14.4
81.07068	65.4
81.10104	1.4
83.08638	9.8
91.05489	11.6
93.07056	46.7
95.04993	1.6
95.08620	46.8
97.10184	12.4
105.07041	30.0
107.08608	44.1
109.09380	1.5
109.10169	39.3
119.08595	24.7
121.10162	42.6
123.11728	27.6
131.08617	1.3
133.10156	17.7
135.11713	37.2
137.13252	6.8
147.11703	18.2
149.12061	2.0
149.13272	36.4
150.13686	1.2
161.13286	32.1
163.14850	3.1
173.13200	1.3
175.14867	33.5
189.16428	4.3
201.14201	1.3
203.18033	1.4
231.21112	100.0
232.21440	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	231.211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
53.71702	1.1
55.05267	1.3
55.05512	14.8
57.07064	3.7
58.06587	3.7
65.03940	1.2
67.05510	25.9
69.03423	1.2
69.07074	12.5
70.57442	2.3
70.57815	2.0
71.08633	1.5
72.08166	1.1
72.45908	1.1
79.05502	18.9
81.03413	1.3
81.07062	60.0
83.08626	10.4
85.10177	1.2
91.05485	14.5
93.07050	45.5
95.04985	2.0
95.08613	54.5
97.10184	11.2
102.17679	0.9
105.07037	28.6
107.08604	43.6
109.10166	36.2
109.10725	0.8
109.10920	1.2
113.86929	1.0
115.05505	1.2
117.07054	1.4
119.08582	23.3
121.10155	43.2
121.11052	2.0
123.11716	24.5
131.08568	2.1
133.10138	19.2
135.11700	38.0
137.13245	6.7
145.10123	2.9
147.11702	17.4
149.13264	34.9
151.14842	1.1
159.11632	1.4
161.13272	29.2
163.14821	3.5
171.11661	1.3
173.13254	1.1
175.14839	33.3
187.14828	1.3
189.16411	4.4
203.18028	1.9
226.76451	1.0
231.13815	2.4
231.17369	2.5
231.21103	100.0
231.24835	18.4
232.21410	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	231.1705
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
55.05513	12.6
56.05038	0.4
57.05821	1.2
70.06613	0.3
71.22986	0.4
72.08157	100.0
72.44775	0.2
73.08486	0.5
79.94271	0.3
84.08163	0.7
86.09709	5.2
129.10249	0.7
132.10213	2.7
185.16539	0.8
209.74278	0.3
211.65465	0.2
231.17004	2.1
232.12219	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.3
55.05272	1.4
55.05515	17.5
57.07063	3.2
65.03954	1.0
67.05508	19.9
69.03432	28.5
69.07072	15.3
69.94311	1.1
70.01777	3.7
71.04984	3.8
79.05084	1.1
79.05500	15.1
81.03426	13.8
81.07060	49.4
83.08610	10.6
85.02907	9.1
87.00863	5.2
91.05479	16.3
93.07048	37.2
95.04964	2.0
95.08614	41.5
96.08920	1.5
97.02901	4.4
97.10175	12.4
99.04444	5.1
100.20180	0.9
105.07039	36.1
107.08598	35.1
109.02888	4.3
109.09476	1.9
109.10162	25.9
117.06999	3.7
119.08595	35.4
121.10154	30.0
123.11700	17.6
127.03914	5.2
128.06233	1.4
129.07018	1.6
131.08551	4.6
133.10136	27.0
135.08153	1.6
135.11705	34.3
137.13254	4.3
142.07742	2.2
143.08568	3.2
145.10139	4.4
147.11696	20.7
149.13266	36.8
157.10120	4.7
159.08165	1.4
159.11679	3.0
161.09615	1.7
161.12006	2.3
161.13274	39.2
163.14851	4.1
171.11708	2.6
173.13301	1.8
175.11311	1.5
175.14850	34.3
185.09586	1.4
185.13315	2.1
187.14769	1.2
189.16357	7.8
203.14389	2.6
203.18007	1.7
213.16379	3.3
231.13815	6.5
231.17729	8.2
231.21091	100.0
232.21370	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	231.1382
Annotation	Germacrene-D-lactone
Peak:m/z	Relative Intensity
55.05519	0.8
57.03460	0.8
57.07101	0.7
59.05011	8.0
61.72993	0.6
67.05506	1.3
69.03438	2.5
69.07069	1.2
70.06615	2.3
71.01706	0.9
71.02027	1.1
71.05009	1.3
72.08159	3.2
79.05518	1.6
81.03442	1.4
81.07066	1.8
84.08151	0.8
86.09728	0.9
91.05486	4.7
93.07084	1.9
95.04983	0.6
95.08626	2.1
98.97596	0.7
105.07053	4.4
107.05019	0.7
107.08581	1.1
109.02854	0.6
110.40083	0.6
115.05475	1.0
117.07040	2.6
119.08593	28.6
121.10198	0.6
128.06238	3.9
129.01984	0.6
129.07022	3.0
130.07790	0.7
131.08588	7.8
133.10150	1.4
135.11737	1.2
141.07025	1.6
142.07814	4.8
143.07500	1.3
143.08577	20.1
144.09348	6.2
145.06503	1.3
145.10158	3.7
147.08055	35.1
153.07019	2.4
155.08560	7.6
156.09351	1.6
157.10146	11.1
158.10927	5.9
159.08115	4.9
159.11700	53.0
161.09578	1.1
165.07043	1.2
167.08563	1.2
168.09364	12.8
169.10149	2.3
170.10939	1.5
171.08052	0.7
171.11754	3.2
173.09624	1.9
173.13269	16.3
175.04102	0.8
175.07588	0.7
181.10027	1.8
181.14720	0.6
183.11711	63.0
184.11971	1.4
185.09506	0.9
185.13303	2.6
187.11194	1.8
189.05521	1.0
189.12769	1.2
195.11726	1.8
198.10474	0.6
201.12759	97.8
202.13123	1.9
203.14247	1.4
213.12746	4.4
213.16357	1.4
231.06519	3.2
231.13808	100.0
231.17531	3.7
232.14169	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	231.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74588	1.2
55.05509	1.7
56.05039	1.2
56.96568	1.7
57.70757	1.0
58.99860	1.1
60.04530	1.5
67.05523	1.1
68.98295	1.4
69.03444	1.1
70.04465	3.3
70.06598	14.9
70.99847	3.7
71.06937	1.0
72.08164	10.0
73.01414	1.6
74.06050	1.5
82.99843	10.9
83.00260	1.5
84.04498	3.0
84.08155	14.1
85.01415	7.4
85.02914	1.4
86.09708	10.4
89.42268	1.2
91.02457	2.3
98.97543	1.7
101.00890	76.2
102.00960	1.2
102.02187	1.2
103.00636	3.2
103.02436	9.4
113.00853	6.0
113.04476	1.4
115.02449	3.8
117.03984	5.2
119.01930	100.0
121.01675	5.1
121.03513	2.1
127.02439	3.1
129.00363	2.8
129.03986	2.3
129.10255	5.6
131.01924	10.2
131.05550	10.0
133.03468	15.8
135.05032	3.3
137.02957	11.5
139.02498	1.5
143.01889	6.9
145.03485	25.4
145.07159	1.9
147.01411	13.8
147.05013	2.1
149.02986	9.5
149.06589	6.7
151.04523	3.6
155.01921	1.1
157.03513	2.5
159.01392	2.1
159.03236	1.2
159.05057	3.8
161.02969	23.2
163.04549	7.4
163.08167	2.6
165.02477	1.5
167.01926	3.0
167.03920	1.5
170.99893	1.5
171.01393	30.3
171.05011	1.6
173.02942	5.6
173.06639	3.2
175.00880	1.8
175.04568	1.6
179.03990	1.7
185.02969	23.9
185.06549	5.5
187.04510	4.0
189.02461	91.7
189.06052	3.2
190.02509	2.1
191.04094	1.7
199.14027	1.0
201.02501	6.6
203.02379	1.4
203.04013	6.4
203.07661	3.3
205.05615	1.5
207.01764	1.6
207.03511	9.7
208.04639	6.9
213.02458	25.3
213.05862	2.1
217.01866	1.2
219.03506	7.4
231.03520	35.1
231.06934	5.0
231.13345	1.5
249.04686	7.6
249.08340	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	230.1753
Annotation	N-decanoylglycine
Peak:m/z	Relative Intensity
53.03946	0.9
55.01860	0.7
55.05509	5.4
56.05037	1.3
57.03447	1.0
67.05511	16.6
69.03432	1.8
69.07080	4.8
70.06588	3.1
71.05001	4.5
71.22689	1.2
72.08147	1.2
79.05499	10.6
81.06660	1.0
81.07071	12.7
83.04987	1.2
83.08614	3.4
84.08144	2.4
91.05478	3.5
93.07051	14.4
95.04963	1.5
95.08614	11.1
97.06513	2.7
98.06032	0.9
98.09698	2.0
105.07033	2.3
107.04949	2.8
107.08603	7.5
109.10178	6.0
111.04440	2.0
111.08071	0.8
117.07008	1.1
119.08567	0.8
121.06488	1.2
121.10121	1.1
129.05508	1.2
131.08591	1.8
133.10144	2.2
135.11696	12.9
149.13232	1.8
151.03482	0.8
152.14346	1.6
153.12761	3.1
159.11703	2.5
162.07416	0.7
163.49593	0.8
166.15947	0.8
168.17513	6.2
170.15411	30.9
176.14418	1.9
177.12796	2.0
189.12741	1.0
194.15402	10.7
212.16467	13.3
230.17532	100.0
231.17888	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
67.17453	1.2
69.03421	1.5
69.07050	1.7
70.06595	1.9
70.17865	1.9
70.18235	1.8
70.74979	1.0
72.08139	3.1
82.99832	9.2
84.08128	2.3
84.99593	1.4
85.01398	1.4
86.09712	18.2
93.01616	1.8
97.10067	0.9
99.14297	1.0
101.00884	68.0
103.00623	3.3
103.02472	2.3
113.00867	1.3
115.02428	1.2
119.01927	100.0
120.02005	1.5
121.01657	5.3
121.02427	1.3
127.02446	1.5
129.10225	1.2
131.01923	2.5
133.01680	1.2
133.03461	5.5
136.50085	0.9
137.02972	12.7
143.01884	3.6
145.03505	6.2
147.01430	1.5
155.01976	1.5
157.03484	1.3
159.05000	2.8
161.02928	4.4
163.04512	4.1
167.01982	3.3
169.03447	1.0
170.99690	0.9
171.01405	3.4
173.02928	1.0
185.02953	27.3
187.04445	3.5
189.00854	1.7
189.02467	7.9
195.01393	2.7
195.57755	1.1
201.02460	3.7
203.03949	6.8
205.47858	1.0
208.04536	3.9
213.02448	58.4
214.02692	1.3
215.62564	1.1
219.03529	3.6
231.03490	56.4
231.06970	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	229.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64342	0.4
53.03930	0.5
55.05508	3.8
57.03437	1.5
57.07074	4.4
58.06600	1.0
58.07414	0.7
60.08168	8.5
61.08511	2.2
65.03964	0.6
67.05510	11.2
69.03401	0.4
69.07070	2.6
70.06596	0.5
71.08646	2.9
71.49948	0.5
71.50369	0.7
72.08952	0.6
79.05497	4.2
81.03384	0.4
81.07061	11.4
83.05011	0.5
83.08604	2.1
84.08133	0.4
85.10196	0.8
85.64817	0.4
85.99131	0.4
91.05486	5.2
93.07047	5.4
95.04955	0.5
95.06074	0.6
95.08606	6.7
97.02924	0.5
97.10179	0.7
103.08779	0.5
105.07031	11.5
107.08602	6.3
109.10163	8.7
109.30101	0.4
115.05459	0.8
116.06250	0.4
117.07020	3.8
119.08588	13.3
121.06504	0.5
121.10133	4.8
122.67784	0.4
123.11733	1.0
128.06177	0.5
129.07027	1.8
130.07788	1.9
131.08578	13.6
133.10143	9.8
135.11688	2.8
135.17274	0.5
141.07069	0.4
142.07750	0.5
143.08569	4.1
144.09380	2.5
145.10126	22.7
147.11710	7.1
149.13272	0.8
155.08484	0.8
155.10663	0.5
156.09355	0.5
157.10135	5.7
158.10915	6.4
159.08096	0.9
159.11702	25.2
161.13254	1.7
167.91292	0.4
169.10141	1.6
171.11661	2.1
172.12486	10.2
173.11909	1.6
173.13269	35.7
174.13635	0.9
183.11684	0.8
185.13301	1.9
186.10472	0.6
187.14832	100.0
188.15195	1.6
200.15630	0.5
201.12682	0.7
201.16365	2.6
211.14812	1.2
221.32941	0.5
229.04990	0.7
229.08546	0.6
229.12253	1.0
229.16258	3.8
229.19527	63.5
229.27222	54.1
230.19858	1.7
230.24803	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	229.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.05518	6.7
57.07078	1.1
65.03934	0.6
67.05511	14.7
69.07086	3.8
69.60316	3.4
70.37740	0.5
72.29092	0.5
79.05493	10.5
81.07066	26.8
83.04993	0.9
83.08629	2.4
91.05482	12.1
93.06487	1.1
93.07054	19.7
93.82890	0.4
95.04965	0.7
95.06029	0.5
95.08615	23.1
97.10185	1.4
105.07041	22.9
107.08599	16.3
109.10165	9.5
117.07033	6.8
119.08595	19.3
121.10153	14.8
123.11712	2.8
124.53652	0.4
126.37883	0.5
127.11166	0.6
129.06989	0.9
130.07831	0.8
131.08585	16.4
133.10139	22.2
134.10538	0.6
135.11703	16.3
137.67302	0.5
143.08568	1.7
144.09387	1.2
145.10138	20.4
147.10500	0.9
147.11685	18.3
149.13269	6.0
153.36827	0.5
155.08458	0.5
156.13809	0.5
157.10173	1.5
158.10901	0.8
159.08073	0.6
159.11708	19.7
161.13269	5.3
163.14857	0.9
171.11699	1.5
172.12402	0.6
173.11781	1.3
173.13280	26.0
185.13301	1.3
187.14842	8.7
193.08153	0.5
200.15678	1.0
201.16412	5.5
223.59888	0.5
229.19525	100.0
230.19872	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	229.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
55.05518	8.4
57.07057	1.2
67.05506	9.7
69.07066	4.3
79.05079	0.8
79.05495	9.9
81.07064	26.5
81.07532	1.9
83.08618	2.1
88.71759	1.0
91.05484	10.0
93.06489	1.2
93.07053	18.4
95.04962	1.1
95.06030	0.7
95.08618	22.9
97.10175	1.5
105.07038	23.9
107.08607	17.4
109.06512	0.9
109.10161	8.7
117.07040	7.5
119.08591	22.5
121.10156	14.8
121.11016	0.7
123.11712	2.6
123.95454	0.8
128.06223	0.8
129.06969	2.1
130.07787	1.0
131.08568	17.8
133.10139	18.9
135.11707	13.6
143.08600	2.1
144.09354	2.0
145.10129	22.1
145.11304	1.1
147.11693	16.0
147.30135	0.9
149.13263	6.0
157.10158	1.8
158.10896	1.2
159.11707	24.4
161.13246	5.0
171.11696	2.2
172.12425	0.9
173.13286	27.1
186.14052	1.0
187.14833	11.3
201.16386	5.0
224.07057	0.8
229.15857	2.9
229.19531	100.0
230.19865	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19230	0.6
53.03947	0.8
55.05511	5.3
57.03443	1.0
57.07084	1.7
65.03954	0.8
67.05508	10.3
69.03437	0.8
69.07070	6.3
71.08638	1.9
79.05510	5.4
79.84412	0.8
81.07061	16.8
83.04988	0.6
83.08627	2.5
85.02937	0.7
91.05482	9.3
93.07053	9.7
95.04967	1.4
95.08614	11.4
97.02898	0.7
97.10180	1.8
105.07036	25.6
106.82072	0.6
107.08603	9.6
109.10152	8.7
111.11721	1.3
112.13274	0.6
115.05418	1.1
117.07016	7.6
119.08586	28.1
119.86671	0.7
121.06510	1.5
121.10146	8.1
121.69939	0.5
123.08063	0.7
123.11692	1.4
129.07042	2.5
130.07802	1.8
131.08574	23.3
133.10143	16.5
135.08086	0.6
135.11699	6.1
141.07059	0.7
142.07777	1.0
142.41991	0.6
143.08562	5.1
144.09377	4.7
145.10129	36.1
147.11691	11.5
149.13292	2.4
155.08603	1.0
156.09404	0.8
157.10136	5.0
158.10922	6.6
159.08105	1.3
159.11707	40.8
161.09677	0.9
161.13310	2.9
169.10156	2.1
170.10912	0.8
171.11682	4.1
172.12492	7.5
173.09639	2.1
173.13275	65.5
174.13683	1.1
183.11728	1.4
185.13289	2.3
186.14236	0.7
187.11217	2.4
187.14833	90.8
188.15224	1.0
201.12761	1.0
201.16415	4.3
211.14832	2.2
229.12250	2.1
229.16176	10.6
229.19524	100.0
230.19823	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	229.159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12251	1.3
53.03954	2.2
53.50298	1.2
55.05504	4.8
57.03437	3.8
57.07072	5.3
58.06596	1.8
60.08154	5.0
67.05514	19.6
69.03428	1.8
69.07056	4.2
70.06588	3.3
71.05005	2.3
71.08617	1.4
71.50150	1.8
79.05505	7.0
81.07065	11.6
83.04984	4.1
83.08614	1.6
85.06559	1.9
86.13276	1.6
86.13815	1.3
91.05490	11.8
93.07053	7.3
95.04953	2.6
95.06086	3.5
95.08615	9.3
96.06432	2.8
98.06069	2.0
99.00866	1.9
105.07044	15.6
107.08611	7.1
109.06528	3.7
109.10167	17.2
110.28642	1.4
115.05436	2.4
117.07064	7.1
119.04984	1.4
119.08611	13.3
121.06478	3.3
121.10126	5.2
122.39653	1.4
123.08046	1.6
128.06242	3.8
129.07007	6.2
130.07788	2.9
131.08583	16.0
133.10188	8.1
135.08092	3.0
137.05960	1.5
141.07005	6.8
142.07817	7.2
143.08598	12.0
144.09355	2.8
145.06461	2.8
145.10132	31.2
146.55458	1.4
147.08098	1.8
147.11722	4.2
150.65698	1.5
153.07028	3.0
154.07788	5.1
155.08560	16.4
156.09381	12.4
157.10152	14.7
159.08040	7.6
159.11720	19.3
161.13329	1.5
165.06984	2.8
166.07793	5.4
167.08574	5.6
168.09367	5.9
169.10150	31.1
170.10924	20.3
171.08116	1.3
171.11699	22.3
172.08850	3.5
172.12392	5.2
173.09660	10.4
173.11784	4.4
173.13280	10.1
181.10143	63.2
182.10936	8.1
183.11710	13.8
185.13277	35.6
186.13998	2.9
187.07549	1.4
187.11230	8.8
187.14847	20.3
195.11731	4.2
196.12495	100.0
199.11137	4.0
201.12900	1.4
201.16382	8.6
211.11659	2.3
211.14838	57.6
214.13536	5.9
220.01189	1.4
229.12581	10.1
229.15909	84.5
229.19379	20.4
229.23608	3.1
229.27237	32.5
230.16165	2.8
230.24831	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	229.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82570	1.1
53.03942	2.2
54.08651	1.3
55.01877	1.6
55.05506	7.6
55.05720	1.2
57.03423	4.5
57.07064	1.2
59.04990	1.2
65.03926	1.9
67.05508	32.2
69.03429	1.6
69.06802	1.1
69.07073	12.7
70.06574	3.7
71.04977	4.3
71.50504	2.2
72.08160	2.5
78.12580	1.1
79.05495	11.5
81.03398	1.5
81.07060	22.7
83.04992	2.5
83.08614	3.3
84.04468	1.2
84.08125	1.7
85.06525	1.8
85.27298	1.1
86.06078	1.6
91.05488	11.8
93.07046	17.0
95.04980	8.6
95.06084	3.4
95.08620	20.6
96.06414	3.3
98.06046	1.1
99.00777	1.4
105.07042	25.3
107.08602	16.3
109.06516	2.2
109.10163	100.0
110.10489	1.7
115.05453	1.7
117.07040	9.2
119.08604	24.0
121.06505	3.1
121.10149	10.7
123.08049	1.1
123.11714	11.8
127.11199	29.4
128.06174	1.8
129.07042	11.1
130.07758	1.7
131.08588	17.8
133.10139	18.5
135.11708	9.5
137.09619	9.0
139.07498	1.8
139.67827	1.0
141.06978	2.1
142.07744	3.8
143.08572	7.4
144.09319	2.7
145.06422	1.2
145.10129	28.5
147.11687	9.3
149.13240	3.0
151.11115	1.8
154.07771	1.5
155.08600	3.0
155.10629	4.3
155.11812	1.4
156.09273	1.7
157.10130	19.2
158.10849	1.8
159.08029	3.2
159.11697	23.0
161.09616	7.0
161.13249	3.3
168.09213	1.4
169.10089	5.8
171.11642	6.3
173.09602	4.6
173.11746	7.0
173.13254	22.8
179.10687	9.0
181.10001	1.4
182.10832	1.6
183.11682	4.2
185.13272	9.9
187.11151	4.1
187.14833	8.6
196.12463	2.0
197.11743	7.0
201.12598	1.4
201.16348	5.3
211.14871	7.1
211.16632	1.8
229.08476	1.9
229.12302	3.7
229.15904	27.7
229.19498	62.2
229.23251	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	229.1436
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
53.03933	1.5
55.05518	8.6
57.03447	5.7
57.07062	2.7
65.03938	1.6
67.05512	29.8
68.41978	0.8
69.03419	1.5
69.07077	12.3
70.06578	3.3
70.80048	1.1
71.04974	2.9
72.08147	0.9
79.05145	1.0
79.05502	11.1
81.07063	31.1
83.04987	1.7
83.08589	3.1
84.08145	1.7
85.06535	2.0
91.05487	14.1
93.06508	1.1
93.07057	19.6
95.04970	8.1
95.06076	3.7
95.08617	22.4
96.06390	2.4
97.06520	1.6
97.10186	1.7
105.07037	26.4
107.07975	1.4
107.08602	16.6
109.06506	2.0
109.10168	100.0
110.10456	1.5
111.08077	1.2
112.08744	1.2
113.09081	1.3
115.05420	2.6
117.07034	11.3
119.08594	28.4
121.06475	2.8
121.10151	12.5
123.08121	1.0
123.11703	11.8
127.11205	31.3
128.06203	3.0
129.07008	9.4
130.07773	1.5
131.08577	20.7
132.08960	1.2
133.06425	1.5
133.09125	1.6
133.10143	25.0
135.11713	9.8
137.09634	8.3
139.07552	1.8
141.07008	3.2
142.07784	2.9
143.08569	8.4
144.09299	1.6
145.06480	1.8
145.10135	32.2
147.11700	16.6
149.13268	4.3
151.11185	1.1
154.07736	1.4
155.08609	4.7
155.10707	4.5
156.09373	2.0
157.10150	17.6
158.10837	1.5
159.08034	2.5
159.11707	28.5
161.09669	5.7
161.13257	3.4
168.09341	1.9
169.10120	7.4
170.11028	1.0
171.11717	5.3
173.09607	3.3
173.11745	5.3
173.13260	24.2
179.10677	8.7
181.10127	1.4
183.11734	5.2
185.09518	1.3
185.13255	6.3
186.13968	1.5
187.11180	3.1
187.13409	1.1
187.14882	12.1
196.12434	2.0
197.11755	7.2
201.12598	1.7
201.16417	7.1
211.11208	1.3
211.14836	7.7
229.04834	1.7
229.12471	4.7
229.15948	28.2
229.19508	80.1
229.23242	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	229.1436
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
51.37190	0.5
55.05516	10.5
57.03442	17.5
57.07080	1.8
59.05000	5.0
59.52584	0.5
65.03944	1.5
67.05510	100.0
68.05849	0.7
69.03448	0.9
69.07076	2.4
70.06590	0.9
71.04996	3.2
71.51012	0.8
75.16069	0.5
78.68725	0.5
79.05495	2.8
81.03466	0.6
81.07062	16.5
83.08630	7.2
85.06544	2.9
86.06053	1.0
87.04453	0.7
91.05479	7.3
93.07040	5.4
95.04985	0.8
95.08620	8.1
97.02914	0.8
98.06075	1.3
98.98480	1.2
105.07053	2.5
107.08590	4.0
109.10165	82.0
110.10487	0.9
111.08095	3.4
117.07024	1.3
119.08591	7.9
121.10141	1.1
129.07022	1.0
131.08594	2.8
133.10107	2.2
135.11694	1.7
137.09615	3.4
138.85359	0.5
142.07756	0.6
143.08559	1.5
145.10158	3.5
147.11674	1.0
153.07045	0.6
155.00978	1.2
155.08621	1.0
155.10692	5.4
157.10181	1.4
158.10892	0.9
159.11720	3.1
169.10075	1.1
171.11719	1.2
173.11780	20.1
173.13235	2.9
183.11682	1.4
185.13232	0.8
187.11131	1.1
187.14859	1.3
194.08183	0.6
201.16350	0.9
202.10640	0.7
211.11134	0.9
211.14796	1.1
229.12277	2.7
229.14281	25.0
229.19469	8.2
229.23351	0.9
230.10237	1.3
230.14577	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1438
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
53.03966	3.8
55.01868	14.5
55.05507	27.9
56.96547	3.5
57.03436	17.2
57.07079	2.9
59.05006	4.9
61.76204	2.9
67.05507	100.0
69.03435	7.2
69.07079	26.8
70.06593	38.6
71.04992	14.1
71.50053	4.8
71.50450	4.2
72.08148	9.9
79.05506	23.2
81.03432	5.5
81.07065	85.8
83.04985	12.5
83.08626	18.5
84.08141	8.9
85.02906	4.2
85.06541	10.7
86.09714	10.4
87.04469	3.0
91.05485	45.5
93.07048	30.2
93.73154	2.8
95.04981	4.8
95.06113	17.5
95.08626	28.8
96.06425	16.3
97.06543	12.2
98.06080	5.0
98.97576	4.1
99.00834	3.4
103.05514	3.2
105.07045	54.2
107.08611	29.2
108.06045	3.2
109.06533	11.8
109.10168	73.3
111.08130	5.1
112.08740	6.2
113.09067	6.3
115.05451	6.0
116.07058	5.6
117.07020	12.3
119.08591	47.9
121.06564	3.8
121.10139	22.5
123.08038	5.6
123.11715	31.4
125.09541	3.0
127.03864	3.5
127.11219	4.9
128.06224	6.5
129.07005	15.9
131.08594	30.6
133.06630	3.3
133.07603	2.9
133.10139	21.8
135.08089	3.6
135.11694	7.3
137.13243	3.9
141.06999	8.4
142.07733	7.3
142.37517	3.3
143.08577	9.5
144.09328	5.1
145.06480	5.6
145.10150	20.5
147.11702	88.3
149.09673	5.8
149.13292	4.9
151.03943	3.8
151.11194	3.8
153.07048	3.1
153.10945	3.1
154.07690	2.8
155.08559	12.2
155.10605	3.6
156.09306	3.7
157.10159	32.4
159.08011	7.0
159.11736	15.1
161.09579	3.5
165.12766	38.7
168.09373	7.2
169.10143	13.4
169.12309	5.9
171.11696	10.6
173.09651	12.1
173.11763	15.5
173.13300	16.3
175.11200	20.7
179.98460	29.1
183.08080	4.1
183.11658	14.4
185.13266	9.5
185.30234	3.1
187.11209	6.7
187.14819	4.9
193.12299	9.0
193.15918	3.3
196.12515	3.9
197.99562	65.7
201.09106	3.4
201.12608	8.1
201.16420	6.3
211.07526	3.2
211.14766	9.5
211.16705	8.2
212.16606	4.6
229.08659	11.0
229.12302	9.9
229.14067	75.2
229.17575	11.3
229.19595	34.2
229.23285	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	229.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.6
55.05516	9.1
57.03442	18.3
57.07079	1.7
59.04982	3.5
65.03967	1.5
67.05509	100.0
69.03420	1.8
69.07079	2.3
70.06572	3.1
71.04996	4.1
71.50791	2.4
81.07059	14.5
83.08626	8.4
85.02931	1.3
85.06539	3.7
86.06053	3.6
87.04423	1.5
89.73374	1.3
91.05487	6.4
93.07042	4.3
95.08582	6.7
98.06033	1.9
105.07021	2.6
106.04073	1.4
107.08593	3.5
109.10167	92.7
111.08106	2.3
119.08597	9.2
131.08574	3.0
133.10165	2.3
137.09616	4.4
139.15407	1.4
142.07739	1.4
145.06364	1.8
145.10091	3.3
147.11725	1.5
150.47923	1.4
155.10640	4.4
157.10165	3.5
159.11703	3.2
159.67598	1.6
161.08279	1.5
173.11819	26.4
173.13280	5.0
173.26944	1.6
187.11136	1.6
187.14841	2.8
202.10948	1.5
211.11227	2.8
212.09097	1.4
219.35771	1.3
229.12161	5.1
229.14265	24.3
229.19411	6.8
229.23547	5.5
230.10214	4.1
244.03087	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	229.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07537	0.5
58.06582	0.6
58.83593	0.4
58.99870	1.2
59.97598	0.4
61.02944	0.7
67.05493	0.6
68.05048	0.7
69.07063	0.5
70.06605	2.6
70.71298	1.5
70.99870	4.0
72.08145	1.6
81.07058	0.8
82.99845	8.7
83.00308	0.9
83.01522	0.8
83.06101	1.0
84.04503	1.4
84.08161	2.8
86.09715	3.0
86.99352	0.6
89.00912	1.3
95.06109	3.7
96.06435	2.8
97.01429	0.5
97.02885	0.7
100.02472	1.6
101.00890	68.7
102.00983	1.4
103.00633	0.6
103.02461	1.3
108.97789	0.6
112.08742	1.6
113.00890	4.3
113.09095	0.6
114.04048	0.6
115.02451	3.4
117.02151	0.6
117.04015	0.6
118.03507	0.7
119.01931	100.0
120.02027	2.0
126.98788	6.8
127.02428	0.5
127.98915	0.7
129.00392	0.6
129.10332	0.5
131.01912	10.6
133.03491	8.8
137.01982	0.9
137.02968	12.9
141.05023	1.0
142.03510	1.4
142.08614	1.2
143.01935	3.5
144.99840	10.2
145.03464	1.1
145.77327	0.5
147.01404	1.4
147.03226	0.5
149.02982	2.0
151.04533	2.0
159.01341	0.7
161.02977	4.1
163.00818	0.7
163.67296	0.5
166.03542	0.8
168.99860	14.8
169.01408	1.4
172.99365	3.6
173.02995	1.2
173.99458	1.2
177.02478	1.7
179.03951	0.7
184.04546	1.3
187.00906	30.7
187.02551	1.4
187.04306	0.9
187.05743	0.8
188.00999	1.2
190.09517	0.7
191.00337	0.9
191.04172	0.7
196.99330	3.7
197.01094	3.2
201.02423	0.6
205.01981	8.6
205.03833	0.6
205.10005	0.8
211.16342	1.1
212.14793	0.7
214.10596	0.9
215.00388	17.4
215.02141	1.0
219.03490	1.2
229.03593	1.4
229.05571	0.9
229.06883	0.6
229.15424	3.5
229.17453	4.0
233.01439	1.6
247.02965	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
55.01867	1.4
55.05510	9.0
57.07065	1.3
59.72170	0.6
65.03927	0.8
67.05510	10.9
69.07072	5.0
71.04974	1.5
71.50513	0.9
79.05496	10.5
81.03428	1.1
81.06600	0.9
81.07063	16.2
83.04976	1.5
83.08620	5.0
91.05486	11.4
93.06485	1.1
93.07051	17.4
95.04955	1.7
95.06087	1.3
95.08615	17.9
97.02897	1.2
97.06524	1.6
97.10171	1.7
99.04440	0.9
100.11263	4.2
100.88346	0.6
105.07034	17.2
107.04940	3.0
107.08599	11.5
109.06549	0.6
109.10162	6.6
115.05424	1.4
116.06221	0.6
116.36855	0.6
117.07035	6.9
119.07805	1.2
119.08587	14.1
121.06506	1.3
121.10162	7.4
125.06024	0.8
128.06172	3.7
129.07008	10.4
129.69791	0.6
130.07780	2.2
131.08582	16.4
133.10133	11.1
135.08107	0.9
135.11693	12.0
141.07060	1.7
142.07787	6.1
143.08565	20.9
144.09378	1.3
145.10126	22.9
147.11684	5.3
155.08563	1.8
156.09344	5.8
157.10143	25.4
159.11708	10.2
161.13202	1.0
163.11183	16.0
169.10159	2.3
170.10886	2.0
171.08072	1.1
171.11700	36.7
172.12405	1.5
173.13303	1.4
181.12265	3.7
183.11722	4.2
184.12448	1.1
185.09709	1.3
185.13260	22.9
186.13907	1.3
190.84587	0.7
197.13297	2.2
198.14021	1.3
199.14851	7.7
209.13402	0.7
212.15622	2.2
216.08041	0.7
227.12796	13.5
227.17952	100.0
228.18289	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	228.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.8
56.05046	0.7
56.96582	0.6
57.03435	1.4
60.42039	0.5
63.66951	0.6
65.46239	0.5
68.05019	4.0
69.48889	3.5
70.06593	3.1
72.08163	1.6
79.05492	2.3
81.07069	10.2
83.06113	11.4
84.08138	1.6
86.09718	0.7
92.95451	0.6
95.06099	100.0
95.92917	0.5
96.06433	0.6
97.07658	0.8
98.20795	1.1
98.77708	0.5
100.02543	0.5
101.00891	1.8
112.08738	30.8
116.07127	0.5
119.01914	2.7
120.02047	1.0
129.10257	1.2
131.01912	0.6
133.01718	0.7
135.36949	0.5
142.01749	0.5
151.12346	2.0
156.03416	0.6
161.02960	0.9
163.12323	7.3
166.26906	0.5
172.99336	0.8
181.13383	1.2
186.03091	1.1
186.06085	0.5
187.00941	0.6
193.13379	7.2
199.14412	1.4
205.03786	0.8
210.16034	17.9
211.14430	15.9
228.17097	89.8
229.17549	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
55.01867	1.4
55.05510	9.0
57.07065	1.3
59.72170	0.6
65.03927	0.8
67.05510	10.9
69.07072	5.0
71.04974	1.5
71.50513	0.9
79.05496	10.5
81.03428	1.1
81.06600	0.9
81.07063	16.2
83.04976	1.5
83.08620	5.0
91.05486	11.4
93.06485	1.1
93.07051	17.4
95.04955	1.7
95.06087	1.3
95.08615	17.9
97.02897	1.2
97.06524	1.6
97.10171	1.7
99.04440	0.9
100.11263	4.2
100.88346	0.6
105.07034	17.2
107.04940	3.0
107.08599	11.5
109.06549	0.6
109.10162	6.6
115.05424	1.4
116.06221	0.6
116.36855	0.6
117.07035	6.9
119.07805	1.2
119.08587	14.1
121.06506	1.3
121.10162	7.4
125.06024	0.8
128.06172	3.7
129.07008	10.4
129.69791	0.6
130.07780	2.2
131.08582	16.4
133.10133	11.1
135.08107	0.9
135.11693	12.0
141.07060	1.7
142.07787	6.1
143.08565	20.9
144.09378	1.3
145.10126	22.9
147.11684	5.3
155.08563	1.8
156.09344	5.8
157.10143	25.4
159.11708	10.2
161.13202	1.0
163.11183	16.0
169.10159	2.3
170.10886	2.0
171.08072	1.1
171.11700	36.7
172.12405	1.5
173.13303	1.4
181.12265	3.7
183.11722	4.2
184.12448	1.1
185.09709	1.3
185.13260	22.9
186.13907	1.3
190.84587	0.7
197.13297	2.2
198.14021	1.3
199.14851	7.7
209.13402	0.7
212.15622	2.2
216.08041	0.7
227.12796	13.5
227.17952	100.0
228.18289	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	227.1645
Annotation	MKN-003C
Peak:m/z	Relative Intensity
52.74458	1.1
53.03941	1.9
55.01878	1.9
55.05516	12.7
56.96555	1.7
57.03439	6.8
57.07074	5.4
59.04995	5.5
65.03936	2.4
67.05505	10.4
69.03432	5.0
69.06727	1.6
69.07070	15.0
70.06584	4.1
70.69769	2.5
70.70102	2.1
71.04995	29.0
72.08151	2.2
73.06551	3.0
75.04511	2.3
79.05502	10.2
81.03412	3.6
81.07063	20.9
83.04985	6.4
83.08626	8.0
83.84007	1.3
84.08147	1.6
85.02917	1.7
85.06548	11.9
86.09219	2.2
86.09710	24.8
89.37518	1.1
91.05492	10.8
93.07049	22.3
95.04977	100.0
95.06010	10.1
95.08618	18.0
97.06542	22.7
97.10155	4.5
98.09670	1.4
98.97582	4.0
99.04464	33.5
99.08096	31.8
99.08749	1.8
100.11275	14.9
105.07029	13.9
107.04957	1.6
107.08607	32.1
108.08930	1.4
109.06520	19.1
109.10150	10.0
111.04426	2.6
111.08079	6.4
112.08733	3.5
113.09637	3.5
115.07545	6.2
117.07030	3.4
119.01852	1.4
119.08588	11.0
121.06497	4.3
121.10152	22.2
123.04368	1.5
123.08102	6.8
123.11719	9.5
125.05975	1.6
125.09637	12.4
127.07571	11.7
131.08617	7.5
132.22447	1.2
133.10146	35.3
135.08058	10.9
135.11685	7.6
137.09634	3.9
139.07526	3.0
139.11186	13.6
142.03221	5.4
143.01897	4.8
143.08572	4.2
143.10669	5.2
145.10158	6.0
147.11722	8.2
149.05907	2.0
149.09631	3.5
149.13257	12.0
151.11148	5.9
153.09120	31.5
153.12764	3.0
155.08534	1.5
157.10172	4.2
161.02971	3.9
163.07536	6.6
163.11143	3.9
163.14801	5.7
165.12753	2.3
166.07854	1.4
167.07063	14.7
167.10745	2.0
169.12181	1.4
170.02722	1.8
171.10150	10.9
171.11528	2.6
173.13280	18.7
179.08658	1.2
181.10110	1.5
183.13817	3.3
191.14343	12.3
199.18036	1.4
209.08104	1.4
209.15239	13.6
210.15956	1.8
213.17816	2.9
227.06960	2.6
227.10580	3.1
227.14275	3.6
227.16272	38.8
228.17029	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	227.1645
Annotation	Annuionone G
Peak:m/z	Relative Intensity
52.10284	1.4
53.03949	1.9
55.01859	2.4
55.05514	11.3
57.03421	5.4
57.07066	5.7
59.04985	7.0
67.05513	12.9
69.03413	4.4
69.07058	12.8
69.54665	4.7
69.55080	4.7
70.06586	2.5
71.05002	30.3
73.06535	2.9
79.05503	17.6
81.07069	24.8
82.06593	2.1
83.04996	8.2
83.08608	5.8
85.02882	2.4
85.06553	32.7
86.09710	17.5
91.05493	8.5
93.06499	1.7
93.07054	30.9
95.04981	100.0
95.06059	7.3
95.08612	22.3
97.06545	19.5
97.10174	3.8
99.04464	14.0
99.07505	2.5
99.08103	37.7
100.11272	11.1
101.00883	2.3
105.07050	16.0
107.08609	31.6
109.05888	2.1
109.06530	20.2
109.10161	11.5
111.04428	4.1
111.08102	9.4
113.06053	2.0
113.09629	1.9
115.07574	10.5
117.07024	2.0
119.08599	12.8
121.06520	3.6
121.10156	31.5
123.08045	4.7
123.11691	6.2
125.05975	3.0
125.09645	13.0
127.07569	18.2
128.76038	1.6
131.08582	20.6
133.10143	42.1
135.08041	7.6
135.11670	7.8
137.09630	6.3
137.53871	1.6
139.11189	18.4
143.01883	4.8
143.08545	1.7
143.10713	3.8
145.10121	11.1
147.11707	9.5
149.09644	15.5
149.13272	11.5
151.11145	5.4
153.09113	32.9
158.10909	3.1
161.02986	3.0
163.11139	6.5
163.14812	6.9
165.09151	1.8
165.12787	2.3
167.10655	7.1
170.02650	1.8
171.10165	15.0
173.13277	16.5
181.04967	4.0
191.10638	10.9
191.14287	12.2
199.17979	1.8
209.11794	9.8
209.15294	16.0
227.08702	2.0
227.12788	4.1
227.16408	53.3
228.17032	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	227.128
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
52.77584	1.2
53.03938	2.3
55.01865	5.0
55.05513	6.1
57.03431	2.5
57.07070	5.2
65.03941	2.7
67.05511	28.4
69.03427	2.5
69.07073	10.5
70.06586	1.8
70.61721	2.8
70.62084	2.9
71.04994	21.7
79.05496	25.3
81.03405	2.0
81.07062	10.0
83.04981	10.7
85.06547	100.0
86.09715	19.4
91.05484	18.9
93.07050	24.0
95.04987	7.8
95.06100	2.1
95.08625	2.3
97.06523	6.4
99.04444	2.0
99.08098	4.2
100.11250	3.1
101.40791	1.6
105.07030	19.8
107.04969	13.1
107.08601	34.5
109.06514	4.5
109.10161	1.8
111.04454	13.2
116.06296	1.4
117.07059	7.6
119.08583	14.6
121.06515	12.0
121.10158	21.9
123.04417	2.7
123.08094	2.5
125.06009	7.2
129.07013	9.2
131.08572	73.6
133.10173	1.7
135.08076	4.0
135.11716	4.6
137.05966	1.8
137.09625	7.7
145.06476	2.2
145.10136	29.3
147.08057	5.1
149.05917	1.6
149.09630	68.1
153.05478	3.6
155.07086	2.1
163.11200	27.7
165.09155	10.3
167.07051	2.1
167.10681	32.7
173.09694	8.7
179.10704	2.6
181.04970	2.4
191.10681	60.0
197.11752	1.6
209.11737	49.7
227.10710	1.4
227.12752	19.9
228.17088	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	227.1279
Annotation	Chloriolide
Peak:m/z	Relative Intensity
53.03948	3.0
55.01862	5.0
55.05516	12.5
67.05505	17.3
69.07063	6.0
71.04981	3.5
73.82325	1.9
79.05496	22.2
81.03415	3.0
81.07058	24.7
83.08633	11.9
91.05487	10.6
91.45801	2.3
93.07046	29.2
95.04945	6.7
95.08614	32.3
97.02908	3.5
97.10172	3.9
98.20775	3.5
99.04449	4.0
100.11274	5.5
105.07035	22.8
107.04958	7.3
107.08578	21.0
109.10152	7.0
117.07016	8.8
119.08601	15.9
121.06479	6.0
121.10148	11.7
128.06241	4.4
129.06985	9.1
130.07803	2.7
131.08585	13.5
133.10165	10.1
135.11694	29.6
141.07016	2.9
142.07776	8.3
143.08571	25.7
145.10126	31.6
147.11690	5.4
155.08623	3.8
156.09348	7.2
157.10133	29.7
159.11691	9.1
163.11179	36.4
169.10083	2.9
170.10910	3.9
171.08049	4.2
171.11694	38.8
173.13319	2.8
181.12228	7.5
183.11676	3.2
185.13278	25.5
199.14812	6.3
227.12732	41.2
227.17944	100.0
229.00606	2.2
235.25964	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	227.1281
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03938	2.9
55.01875	3.9
55.05518	9.1
55.95823	1.7
57.03435	3.8
57.07087	7.2
65.03922	1.9
67.05505	30.5
69.03433	4.3
69.07069	10.6
69.54317	1.3
70.06593	5.9
70.70773	3.6
71.04997	22.1
72.08156	5.3
76.09995	1.7
79.05499	29.9
81.03440	2.9
81.07053	12.8
83.04977	7.0
83.06125	1.7
83.08624	2.0
83.26685	1.4
84.04481	2.1
84.08134	4.4
85.06549	100.0
86.09708	36.2
87.04465	2.0
91.05496	18.3
93.07052	29.3
95.04980	12.7
95.06091	4.8
95.08607	6.1
97.04021	1.5
97.06534	7.9
97.10146	1.8
99.04471	3.1
99.08109	6.5
100.11253	11.1
103.05490	2.2
105.07037	16.7
107.04962	12.6
107.08599	32.1
109.06541	7.4
109.10168	2.4
110.07195	2.3
111.04446	16.3
112.08744	2.5
115.05434	1.8
116.07096	2.0
117.07024	10.7
119.08597	19.2
120.06589	1.5
121.06507	15.4
121.10153	25.7
123.04430	2.2
123.08070	3.4
125.06016	6.5
127.07595	2.2
129.07002	8.5
130.07797	2.2
131.08577	67.6
133.10121	4.6
135.08026	3.8
135.11696	6.7
137.05975	1.8
137.09612	8.4
139.07593	2.0
145.10138	28.5
147.08073	6.8
149.06036	3.7
149.09628	70.3
151.11145	1.8
153.05499	3.8
153.09109	2.6
155.07097	2.7
163.07559	3.7
163.11188	28.0
165.09135	11.7
167.07011	3.5
167.10703	33.8
171.10156	2.2
173.09647	8.2
179.10611	2.6
191.10681	61.0
197.11748	2.9
209.11745	52.8
227.08395	1.8
227.10555	2.9
227.12698	19.1
227.16173	2.3
228.17084	5.5
246.70541	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	227.128
Annotation	Chloriolide
Peak:m/z	Relative Intensity
51.72816	2.8
53.03940	5.2
55.01868	7.6
55.05513	37.9
56.96560	4.0
57.03426	8.2
57.07068	6.5
58.83340	2.6
59.17074	2.4
59.56372	2.8
60.99627	3.0
67.05511	25.1
69.03431	9.4
69.07061	27.4
70.06577	7.9
71.04986	13.0
71.50623	3.7
72.08145	5.8
79.05492	34.3
81.07054	38.9
83.04992	11.8
83.06110	4.9
83.08630	22.6
84.08142	9.7
85.02919	3.8
85.06539	6.3
86.06089	3.8
86.09704	23.9
87.04443	4.6
91.05485	25.7
93.07052	35.8
95.04956	14.9
95.06085	26.5
95.08618	34.4
97.06541	10.7
97.10188	8.8
98.06098	3.6
98.97594	14.4
99.04469	13.1
99.08099	5.1
100.11263	66.5
105.04482	3.3
105.07051	25.0
107.04959	9.2
107.08614	31.0
109.06512	8.9
109.10198	14.2
111.04427	5.5
111.08102	12.6
112.08739	8.7
112.67583	3.0
115.05434	5.3
117.07037	11.8
119.08594	23.4
121.06524	5.1
121.10147	21.7
123.08072	4.1
123.11713	8.4
125.09639	8.1
128.06261	7.1
129.07016	13.9
131.08575	23.0
133.10114	16.8
135.08066	8.2
135.11668	20.1
137.09676	3.7
139.11238	4.9
141.07007	7.2
142.07816	9.6
143.08563	26.7
145.10124	30.8
147.11688	13.2
149.09682	6.7
149.13313	4.2
153.06932	5.3
153.09129	8.8
153.12781	6.7
155.07033	2.9
155.08572	7.6
156.09380	7.9
157.10135	45.3
159.11731	10.0
163.11137	16.8
167.07079	11.7
167.08453	4.1
169.08682	6.0
169.10017	6.3
170.02856	3.6
171.08017	6.6
171.11707	36.4
173.09671	4.2
173.13319	5.6
177.00777	5.1
179.08711	3.9
181.10175	7.0
181.12172	6.7
183.11723	9.7
185.09715	3.7
185.13257	27.6
191.10732	8.0
195.06285	3.3
199.14883	9.9
209.11693	7.5
209.13429	6.8
209.16551	9.1
210.16074	4.5
211.14339	5.8
227.07146	8.6
227.10548	11.8
227.12766	20.3
227.14359	24.7
227.17963	100.0
228.17119	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.04
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.2
55.05510	1.2
57.07044	0.8
58.99842	3.0
59.00108	0.6
68.98251	0.8
69.03402	2.5
69.07039	0.7
69.84815	2.5
71.04990	1.5
77.00892	0.9
81.03384	2.0
81.07011	1.1
82.99836	3.2
84.99585	0.7
97.01411	0.9
97.02866	2.7
99.04465	6.5
101.00885	19.3
102.00942	1.3
103.00646	5.7
109.02884	2.3
113.00854	0.9
115.02438	3.7
119.01931	37.4
120.02007	2.5
121.01669	10.8
125.00774	0.7
127.02509	3.3
127.03925	13.4
129.03967	1.7
130.15120	0.8
131.01895	2.3
133.03471	1.5
136.99637	1.0
137.02977	6.0
139.02428	8.9
142.98596	1.8
143.01874	3.0
144.03212	0.7
145.03481	15.1
147.05037	1.0
149.00847	1.3
155.01891	4.8
157.03470	35.4
158.03603	0.9
160.99637	6.1
161.02965	2.6
162.04283	0.9
163.04536	2.4
167.01909	11.2
169.03458	4.8
171.05017	3.6
173.02989	16.4
175.04562	5.7
177.00999	2.5
177.02713	0.7
178.01068	1.8
179.00708	36.0
180.00833	1.5
181.03474	7.3
185.02965	100.0
186.03116	2.5
187.04549	14.5
191.04016	1.8
197.03012	3.8
199.04552	9.1
200.01556	0.8
203.01059	3.5
203.04018	38.7
204.04996	4.1
205.05554	1.5
208.04613	1.7
209.03014	3.3
209.04807	0.8
215.04022	16.9
215.67751	0.7
217.05620	1.6
219.01984	2.2
219.03934	4.1
221.01784	36.9
221.04903	6.0
222.01978	3.4
222.06049	2.3
227.00693	1.3
227.04031	28.2
227.06175	1.5
227.07561	1.2
233.05099	6.3
245.01880	10.8
245.05107	28.4
245.07494	1.6
246.05273	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
54.99459	0.6
55.01874	6.1
55.05517	6.2
56.05034	1.0
56.96552	0.7
57.03433	1.8
57.07067	1.9
60.16056	0.6
65.03942	7.5
67.05182	0.9
67.05510	12.2
68.05009	0.7
69.03432	2.5
69.07076	6.3
70.06601	4.4
70.73974	1.5
71.01366	0.6
71.04996	6.5
72.08162	8.2
73.02924	38.9
73.07767	0.5
77.03948	0.8
79.05080	0.7
79.05500	10.4
81.03423	1.7
81.07058	5.1
82.04219	2.9
82.06596	0.6
83.04982	2.8
83.06104	0.8
83.08624	2.7
84.04496	1.9
84.08150	2.4
85.02917	5.2
85.06554	22.0
86.09716	20.0
87.04449	0.7
91.05491	6.7
93.03402	1.7
93.07062	8.1
94.99873	0.5
95.04984	14.0
95.06088	6.3
95.08591	1.9
96.08160	0.6
97.02889	1.8
97.04024	1.6
97.06535	5.4
98.97570	1.4
99.04453	1.6
99.05640	0.8
99.08110	2.8
100.07642	0.6
100.10613	0.9
100.11263	14.1
103.05470	1.2
105.03397	2.6
105.07037	4.2
105.93850	0.6
107.04965	4.6
107.08604	7.8
108.02121	1.0
109.06527	3.3
109.10170	1.3
110.03688	5.0
110.07170	1.9
111.04465	4.3
111.05595	0.7
112.08740	1.8
113.06060	0.8
115.07573	0.9
116.07095	0.8
116.98606	0.9
117.06991	1.9
119.08611	4.5
120.08069	0.7
121.06534	5.3
121.10152	7.1
123.04448	8.6
123.08079	0.8
125.01570	0.6
125.02376	3.1
125.06016	4.8
125.09636	1.1
126.09203	0.7
127.03963	1.0
127.07600	1.3
128.06229	0.8
129.06987	2.4
129.10297	0.7
131.08586	15.2
133.08403	0.7
133.10130	3.1
135.04445	0.7
135.08029	1.2
135.11714	1.4
136.07571	0.6
137.05951	0.7
137.09616	1.6
138.03128	2.2
139.03949	0.7
139.07568	1.1
139.11186	1.2
140.04698	54.7
141.05287	0.7
142.02629	2.7
143.08588	0.8
145.10138	6.3
147.08060	1.4
147.11670	0.6
149.05983	2.2
149.09639	14.0
149.13307	0.9
151.03937	1.3
151.11212	0.7
153.05507	3.3
153.06960	0.5
153.09151	1.3
153.10240	1.3
153.13841	0.6
155.07047	58.4
156.07579	0.8
158.99684	0.9
159.09154	0.6
163.07570	1.0
163.11197	6.4
163.12408	0.9
163.14880	0.9
165.09087	2.7
166.07770	1.1
167.07042	5.2
167.10687	7.3
169.09724	1.0
171.06610	3.9
173.08128	3.4
173.09657	1.4
173.13274	1.2
177.05476	0.9
178.06297	0.8
179.06990	3.7
179.10677	0.7
181.04976	100.0
181.08337	3.5
182.05254	1.2
191.08974	0.7
191.10696	13.6
199.11052	0.9
199.14499	0.8
199.18011	0.9
205.99110	0.9
209.08109	21.4
209.09962	1.3
209.11682	9.7
209.16522	2.6
210.16232	0.7
213.17836	0.6
227.09102	13.3
227.12666	2.5
227.14130	1.8
227.17572	2.8
228.17155	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	225.1487
Annotation	Methyl jasmonate
Peak:m/z	Relative Intensity
52.61712	1.6
55.01873	2.2
55.05516	9.4
57.03450	2.1
57.07076	5.1
57.22429	1.5
61.02603	1.5
67.05510	19.3
67.26919	1.5
69.03433	2.2
69.07069	11.2
70.59535	5.1
70.64893	1.5
71.04985	4.6
79.05506	16.0
81.07066	28.2
83.04971	10.1
83.08610	3.0
84.08150	2.0
85.06541	9.6
91.05490	43.1
93.07050	32.3
95.04994	13.2
95.08601	10.1
97.06547	4.6
99.04464	7.2
101.95036	3.6
105.03399	4.3
105.07040	60.4
107.05016	2.7
107.08610	14.1
109.06532	32.4
109.10139	7.7
111.08085	2.0
119.08596	16.8
119.96117	3.0
121.06462	1.7
121.10129	3.9
123.08078	7.6
123.11740	4.8
131.08627	8.2
133.06505	2.6
133.10143	100.0
134.17793	1.6
137.05974	2.3
141.09164	1.7
147.11697	83.0
148.12042	1.7
149.09634	4.7
151.07565	7.1
151.11197	83.6
155.08553	3.1
157.10158	3.4
161.13336	2.1
163.11327	2.4
165.12778	10.6
167.08615	2.3
167.10710	3.8
169.08609	12.7
169.09988	3.2
175.11205	16.5
182.10890	2.6
183.11720	3.6
193.12224	13.8
195.08130	2.1
197.13202	2.6
207.11887	3.0
207.13773	18.7
210.10420	4.2
210.13971	1.8
225.04247	3.0
225.09210	3.6
225.12743	10.5
225.14647	31.2
243.09135	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	226.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14480	0.3
57.03433	0.5
59.06130	1.9
62.69968	0.2
65.03953	0.5
65.46241	0.2
67.05498	0.5
68.05011	0.3
69.07065	0.6
70.06602	1.3
70.34875	0.6
70.64832	0.3
72.08148	0.6
72.93761	0.3
78.03456	0.4
79.05502	0.7
81.07081	0.5
82.06572	0.7
83.06134	0.3
84.04507	0.5
84.08144	1.1
84.80770	0.3
86.06048	0.3
86.09698	0.6
92.04979	0.6
94.06554	0.3
95.04972	0.4
95.06110	1.2
97.67437	0.3
99.05593	0.7
105.07072	0.4
107.04961	1.1
110.06027	0.5
111.05566	1.2
112.08692	0.4
118.06537	0.3
119.06070	30.8
120.05592	1.1
120.06393	0.4
120.08092	0.5
125.07082	0.5
128.08217	0.4
134.06035	0.3
135.05565	0.8
136.07501	0.3
137.07115	0.5
138.05516	2.8
147.05528	3.7
148.03978	0.7
149.07118	0.7
152.07083	2.7
153.07860	6.4
153.10245	2.2
154.08569	0.4
161.07161	0.4
162.09160	0.6
165.06606	100.0
166.06953	1.1
168.06581	0.7
168.10187	0.3
179.11833	1.1
196.10870	1.7
197.12860	0.5
203.02342	0.5
208.10985	1.8
209.12848	1.0
223.56685	0.3
224.03931	0.3
226.09901	1.1
226.11865	3.8
226.15784	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	225.1487
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
55.05510	5.8
57.07076	2.7
59.05002	3.4
67.05508	13.8
69.03426	2.4
69.07060	2.8
71.04995	5.0
71.19424	2.7
79.05502	4.8
81.07069	25.4
83.04985	4.0
83.08659	1.5
84.08130	1.6
85.02915	100.0
85.06556	3.6
91.05484	2.9
93.07059	5.5
95.04960	1.5
95.08616	51.0
97.04025	2.3
97.06531	2.7
97.10162	2.0
97.22948	1.6
99.04473	4.4
105.07044	10.5
106.39108	1.6
107.08620	8.1
109.06539	6.2
109.10167	9.0
113.06019	5.0
119.08607	9.3
121.06524	2.1
121.10175	9.7
123.08106	14.6
123.11725	79.0
125.05983	9.2
125.09651	2.7
126.09162	3.0
131.08559	2.1
133.06459	1.6
133.10094	2.4
135.11699	4.5
137.09624	1.8
141.05521	1.5
142.42007	1.3
143.08640	1.3
145.10182	2.5
147.08099	3.2
147.11687	5.3
149.09627	16.4
151.07542	4.5
161.13315	3.5
163.11189	2.9
165.09131	6.0
165.12775	4.0
179.14357	1.8
189.12726	8.0
207.10695	1.8
207.13824	24.0
225.08972	2.5
225.14841	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	225.1487
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03956	2.7
55.01866	2.0
55.05515	7.1
57.03428	2.1
59.05005	11.4
64.33265	1.0
65.03929	1.4
67.05510	12.4
67.53632	1.0
69.03441	13.5
69.07072	11.6
69.80719	4.1
69.81120	2.7
71.04975	2.8
79.05496	14.7
81.07063	21.8
83.04990	10.3
83.08613	4.5
83.30977	1.1
84.08138	1.4
85.02901	1.7
87.04474	10.9
90.25397	1.2
91.05490	15.0
93.07051	49.1
95.04976	6.2
95.08625	18.1
97.06533	8.0
97.41574	1.2
99.04449	3.9
105.03435	1.2
105.06326	2.1
105.07037	38.3
107.04958	2.5
107.08607	33.3
109.06522	11.7
109.10172	6.7
111.08093	5.0
115.05528	1.6
117.07024	4.9
119.04901	1.4
119.06156	1.2
119.08595	20.5
121.06516	3.4
121.10151	11.6
123.08083	14.8
123.11698	4.4
125.06052	1.6
125.09666	1.7
128.06201	1.7
129.07039	2.8
131.08588	5.4
133.06482	4.2
133.10156	9.8
135.08090	2.5
135.11725	2.3
137.05980	2.7
137.09666	4.5
139.11208	5.5
141.09074	1.6
143.08585	4.3
145.10132	4.9
145.33360	1.2
146.07343	1.8
146.39536	1.3
147.08031	7.1
147.11688	14.6
149.09634	6.8
151.07559	4.1
151.11195	100.0
156.09341	4.4
159.11728	5.9
161.09679	8.2
161.13260	17.1
163.11159	3.3
165.09155	1.6
165.12775	2.5
169.10153	1.5
171.11702	7.1
174.10411	2.5
177.12756	4.4
179.14362	2.8
189.12776	19.2
207.13818	89.0
213.48820	1.3
225.14787	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	225.1486
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
53.03951	1.1
55.05507	4.7
57.07069	2.4
67.05498	1.9
69.07064	3.2
70.55737	1.9
70.56084	2.5
71.01371	1.6
71.04995	37.2
79.05493	3.1
79.99474	0.9
81.03414	1.9
81.07056	7.6
83.04978	2.2
83.08172	1.1
83.08607	6.4
85.06570	1.8
88.19488	1.0
91.05505	3.4
93.07039	3.3
95.04968	1.3
95.08607	7.3
97.06546	8.1
99.04462	100.0
99.08109	1.7
105.07027	6.0
107.08604	33.0
108.08933	1.1
109.06529	21.3
109.10169	1.6
110.04801	6.6
111.04463	1.0
113.09638	5.4
119.08580	3.4
121.10152	13.0
123.08096	15.8
123.11710	16.0
125.05956	1.2
125.09632	6.2
127.07601	1.3
137.09586	2.3
137.13274	2.0
139.11154	4.3
141.12717	2.9
147.11710	5.7
149.09654	9.5
151.07526	1.2
155.10786	1.6
161.13284	1.4
165.12782	9.4
166.68845	1.0
167.10693	21.5
169.10197	1.8
171.11800	1.2
178.60655	1.4
179.14319	2.9
183.12082	2.1
183.13808	28.5
183.15361	1.8
189.12766	3.1
199.21574	1.0
206.11263	1.0
207.13954	5.7
225.14682	10.6
225.16728	2.4
236.79045	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
54.03472	2.0
55.01872	1.5
55.05517	7.0
56.05042	6.6
56.05849	0.7
57.07094	0.8
61.74377	0.6
67.04274	0.9
67.05504	7.3
68.05032	13.3
69.03434	14.0
69.07071	14.5
69.31841	4.2
69.32256	1.4
70.06570	1.4
71.05002	4.9
72.08136	0.9
79.05499	17.3
80.05020	1.7
81.03426	1.8
81.05800	4.5
81.07063	9.4
82.06582	1.5
83.04978	5.5
83.06115	0.7
83.08625	2.1
84.04510	100.0
84.08153	2.0
85.02902	4.1
85.06532	0.7
86.06071	1.2
86.09715	1.2
87.04497	1.2
91.05495	3.0
93.07056	5.8
94.06573	7.4
95.04981	3.6
95.06133	1.6
95.08607	5.9
96.08138	38.3
97.06529	2.6
98.09716	0.8
99.04459	11.4
99.08117	1.1
99.26389	0.7
103.05517	0.9
105.03452	0.8
105.07047	9.2
106.60532	0.7
107.04958	1.6
107.08591	7.9
109.06508	7.1
109.10168	3.6
110.06068	0.8
111.04467	1.3
111.08093	1.9
117.91691	0.7
119.08605	6.5
121.06514	1.8
121.10149	6.1
122.07311	1.3
123.04469	2.7
123.08082	7.1
123.11731	3.2
124.07605	0.7
125.06033	1.0
125.09641	2.1
130.05017	9.4
131.08591	1.4
133.06528	2.8
133.10141	8.5
134.09634	0.7
135.08067	1.9
135.11729	1.6
137.06096	0.8
137.07156	2.3
137.09637	6.6
137.13245	0.9
139.11176	6.2
145.10126	1.3
147.08093	1.5
147.11691	4.9
149.09607	4.1
151.07579	2.1
151.11227	1.9
151.12332	1.3
152.10733	0.9
156.09361	0.9
159.08102	0.9
159.11684	1.4
161.09557	1.1
161.13306	3.1
163.11243	2.9
165.09163	1.0
165.12823	1.9
167.10722	1.7
169.08752	0.7
169.10173	0.7
171.11729	1.9
174.10452	2.0
179.11804	79.5
180.10371	0.7
180.12143	1.4
181.12199	0.9
183.07733	0.9
183.13817	2.9
189.12732	3.7
207.06540	1.2
207.13837	6.5
225.12399	47.9
225.14771	3.9
226.12717	1.1
231.19247	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13903	1.1
63.84850	1.0
65.36018	1.2
69.11309	1.0
69.85900	4.3
69.86330	2.2
76.60913	1.1
82.99847	7.3
98.97858	1.8
101.00887	50.5
102.00969	2.0
116.98899	1.9
119.01929	64.2
120.02004	2.8
122.97739	1.1
124.02473	3.3
134.99922	4.2
137.02950	7.0
140.98830	13.3
142.03479	11.7
146.24504	1.4
158.99913	28.2
160.00023	3.9
161.02977	2.2
166.29457	1.1
166.74963	1.0
175.03162	2.3
177.00964	100.0
178.01059	7.9
179.00800	2.5
179.49471	4.6
179.99544	1.9
181.99658	1.3
182.99857	3.5
183.01363	1.3
190.49405	7.0
190.99944	1.7
198.94360	1.5
199.49985	7.9
200.00143	2.7
200.50203	1.8
201.00940	12.6
201.02420	1.5
214.95735	1.6
217.04082	14.3
219.02023	97.8
220.02167	13.5
225.00961	4.9
234.00722	2.6
238.95639	5.2
243.01984	22.6
244.02061	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	225.1122
Annotation	Aspidinol
Peak:m/z	Relative Intensity
51.66734	0.6
55.01868	0.8
55.05519	3.2
57.03438	1.2
57.07059	3.0
65.03936	0.7
67.05498	2.6
68.99791	2.2
69.03423	1.6
69.07068	1.0
70.62675	1.9
71.04960	1.6
71.08627	6.0
79.05499	5.6
81.03430	3.7
81.07066	17.8
83.04964	1.5
83.08612	0.9
85.02897	3.3
85.06525	2.0
91.05482	2.4
93.07024	1.5
95.04981	1.7
95.08606	8.0
97.06526	1.6
99.04458	2.4
99.08089	3.1
99.98449	0.7
105.03390	0.8
105.07042	2.1
107.04948	0.7
107.08607	2.1
109.02878	1.2
109.06532	3.8
111.04459	1.6
119.04942	4.9
119.08563	1.4
121.10163	1.4
123.03592	1.0
123.04449	16.7
123.08089	3.8
125.05994	1.1
127.03918	9.8
128.06238	0.7
131.08539	1.0
133.10149	1.0
137.05989	19.1
137.09621	1.5
139.03911	70.8
141.09116	16.9
143.08545	1.8
145.10133	0.9
147.04401	3.0
151.03922	5.0
151.07513	0.7
153.01840	2.5
153.05467	4.3
154.07800	1.1
155.03400	52.9
155.08585	3.9
157.10072	1.1
165.05487	29.1
165.09122	1.2
167.08604	0.9
168.09360	1.3
169.10141	6.4
170.10933	0.6
171.11761	0.7
179.07050	1.3
181.10109	1.4
183.10149	2.1
183.11699	6.9
195.11749	1.5
196.12527	0.8
197.13255	2.0
207.10179	15.3
207.13655	1.0
210.13976	1.1
217.65143	0.7
225.11220	100.0
225.16318	14.6
226.11531	1.3
229.18584	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	4.9
70.51512	0.5
71.04999	0.3
71.08636	5.9
81.04548	2.7
81.07070	0.3
82.02935	0.4
83.06107	26.5
84.04493	0.4
84.08166	0.4
85.04028	1.4
95.04981	0.3
97.03977	0.3
99.04443	0.6
99.05561	1.2
99.08108	2.7
102.42310	0.3
109.04010	11.6
115.69221	0.2
121.10133	0.4
126.06643	100.0
127.05032	0.3
127.06997	0.6
135.11728	0.2
150.09111	0.3
151.12401	0.3
162.12794	0.3
162.40710	0.2
178.08577	0.2
178.13416	2.4
206.12898	8.3
224.09209	0.5
224.13962	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80962	0.2
54.03476	0.2
55.05507	0.6
56.05036	5.3
60.26483	0.3
67.05508	0.5
69.07066	0.3
70.06593	0.8
71.05000	0.4
71.05388	0.5
71.08237	0.3
71.08635	5.6
72.08158	0.2
79.05493	0.3
81.04544	3.5
81.07055	0.6
82.02948	0.4
83.06107	26.2
84.04519	0.4
84.08128	0.8
85.04018	1.2
90.41375	0.2
91.05466	0.5
91.25520	0.2
93.07034	0.5
95.06089	0.3
95.08601	0.3
96.05248	0.2
97.04021	0.5
99.04450	0.5
99.05585	1.3
99.08102	2.8
102.28214	0.2
105.07032	0.3
107.08599	0.5
108.08924	0.3
109.04006	12.0
109.06490	0.3
111.23456	0.2
112.08705	0.3
119.08577	0.4
121.10136	0.4
123.08120	0.2
125.05902	0.3
126.06643	100.0
127.05013	0.4
127.06976	0.7
150.05559	0.4
150.09108	0.3
151.12321	0.4
161.09723	0.3
164.07118	0.5
168.09032	0.3
178.08580	0.3
178.13423	3.1
184.81694	0.2
196.08417	0.4
206.12900	9.8
224.09247	0.9
224.13849	1.1
226.04518	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1694
Annotation	Rishitin
Peak:m/z	Relative Intensity
53.03939	4.0
55.01858	5.5
55.05515	13.4
56.05815	1.4
56.96555	6.1
57.03411	2.1
57.07062	5.4
59.04994	1.9
65.03935	4.4
67.05508	67.5
69.03417	1.7
69.07070	12.5
70.80613	3.2
71.04981	6.8
73.06529	1.7
76.58852	1.6
79.05499	46.0
81.03412	3.9
81.06599	3.3
81.07065	66.2
83.04967	6.3
83.08614	5.5
85.02892	2.4
85.06555	4.4
87.18142	1.5
90.71349	1.4
91.05480	25.9
93.07050	100.0
95.04966	9.0
95.08607	71.6
97.06525	4.5
97.10150	1.8
98.94685	1.4
102.10592	1.4
105.07041	16.2
107.04931	2.2
107.08601	62.2
109.06523	4.1
109.10163	40.8
111.05533	1.8
111.08099	3.0
113.09583	1.6
117.07011	7.8
119.08611	9.3
121.02831	1.7
121.06503	10.8
121.10149	40.9
123.08052	4.1
123.11727	12.3
125.09628	3.6
127.07574	1.6
131.08562	17.2
133.10132	3.3
135.08058	20.0
135.11703	10.0
137.09612	2.2
139.07578	3.2
145.10117	16.0
147.11646	1.7
149.02344	10.9
149.09615	16.6
149.13286	2.7
153.09102	4.7
153.10202	1.7
157.52681	1.7
159.11697	3.2
161.09624	11.8
161.13251	4.3
163.11171	9.6
163.14828	48.2
165.06990	3.0
166.07745	1.5
167.08531	2.0
167.10699	4.7
177.12782	3.6
177.16357	6.3
179.08566	3.8
180.09372	3.5
181.10045	6.6
181.12253	3.7
187.14816	17.7
193.10159	5.2
193.63110	2.0
194.10918	3.3
195.11713	3.0
199.56714	3.1
200.07027	1.9
205.12297	2.6
205.15869	20.6
208.12401	4.8
223.06003	5.1
223.07838	2.0
223.11179	7.1
223.13220	5.8
223.14844	11.2
223.16934	28.9
223.20320	1.8
225.04262	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	223.1694
Annotation	Rumphellolide F
Peak:m/z	Relative Intensity
53.03937	2.0
55.01863	4.2
55.05513	14.0
57.03420	1.6
57.07076	2.7
65.03941	2.5
67.05509	100.0
69.07079	12.2
69.35360	8.9
69.35768	2.5
70.06590	2.4
71.04975	3.8
77.03881	1.3
79.05497	42.6
81.03407	1.8
81.07060	77.7
83.04967	4.2
83.08639	5.2
85.02887	1.3
85.06521	4.8
87.04488	1.6
91.05489	15.4
93.07048	67.7
95.04957	3.8
95.08612	79.1
97.06539	2.8
97.10154	1.3
101.05982	1.4
105.04504	1.4
105.07030	10.9
107.04919	1.1
107.08599	52.6
109.06497	4.4
109.10162	61.0
111.08049	1.4
117.07026	4.1
119.08605	8.1
121.06522	5.9
121.10148	48.8
123.08066	4.2
123.11721	13.2
125.09643	2.6
129.06976	1.6
131.08578	15.3
133.10101	4.4
135.08069	10.4
135.11711	9.4
137.09618	1.9
139.07507	1.9
139.11093	1.5
145.10130	13.5
147.11685	2.4
149.02318	5.0
149.09615	15.9
149.13258	1.7
153.09103	3.7
159.11725	3.7
161.13254	5.0
163.11205	6.9
163.13487	1.7
163.14835	32.1
165.06985	1.4
165.09085	1.6
167.10663	6.4
177.12694	2.0
177.16422	7.0
180.09370	1.8
181.10091	1.8
181.12218	4.3
185.36465	1.2
187.14828	13.9
193.10068	2.7
195.08054	2.0
195.11633	1.5
205.10336	1.2
205.12306	1.6
205.15891	22.3
208.08821	7.5
208.12447	1.5
223.06032	3.1
223.11154	9.2
223.13264	5.8
223.14992	3.2
223.16925	34.6
225.04294	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	223.1329
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
53.03713	3.3
53.03953	54.7
55.01880	13.7
55.05503	7.9
56.85033	2.8
57.03439	3.0
57.07086	2.5
63.54924	2.4
65.03939	4.9
67.05515	71.8
68.35002	2.2
69.03429	3.7
69.07052	7.1
71.01352	2.8
71.04992	5.5
79.05498	36.2
81.03426	100.0
81.07062	82.0
83.04974	12.6
83.08610	2.8
91.05489	28.3
93.07053	40.0
95.04977	29.1
95.08611	48.7
97.06526	9.3
103.05454	6.1
105.07046	17.6
107.04956	29.1
107.08607	19.3
109.06512	10.3
109.10172	6.7
111.04413	2.6
111.08052	3.1
117.07047	17.4
119.08572	5.9
121.06490	14.0
121.10159	7.4
123.04449	2.5
123.08067	26.3
125.09618	3.1
129.07010	3.4
131.07747	2.5
131.08548	15.0
133.10127	4.2
135.08051	5.3
135.11693	22.6
141.06993	6.8
143.08556	3.5
145.06503	15.8
145.10106	3.5
149.02350	9.0
149.09610	3.5
149.13252	6.0
150.09203	2.3
151.94765	2.7
159.08040	4.9
159.11676	22.1
163.11200	6.8
165.07115	3.7
167.08577	2.9
169.10146	7.4
177.12743	10.3
179.08572	4.6
180.09305	2.9
181.10095	5.7
187.11200	10.2
193.10147	9.2
205.12291	6.3
208.12376	7.4
223.06017	6.6
223.11208	7.1
223.13039	5.8
223.15166	19.1
223.16948	4.3
224.09212	2.9
225.04279	6.7
229.01439	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84989	0.4
55.05474	0.8
58.62070	0.4
67.05447	1.2
69.07040	0.5
69.23766	3.9
77.34756	0.4
79.05470	0.8
81.07005	1.1
81.79507	0.4
83.04954	0.5
91.05435	0.7
93.07015	0.9
95.04924	0.6
95.08589	0.8
103.20033	0.4
107.04916	0.4
107.08556	0.8
109.06451	0.6
109.10067	0.5
115.05422	0.6
117.07024	0.7
119.08543	0.7
121.06451	0.5
121.10121	0.6
123.07995	0.4
129.06967	1.2
131.08560	0.4
145.10110	0.8
147.42416	0.5
149.02301	1.6
152.06233	0.5
153.06950	1.6
155.08554	0.8
158.07245	0.8
159.11636	0.7
160.16928	0.4
165.07013	14.1
166.07790	2.0
167.08559	3.7
177.06987	0.5
177.12817	0.5
178.07635	0.5
179.08559	5.5
180.09355	14.9
180.72647	0.5
181.06485	1.0
181.10159	3.0
189.07019	1.5
190.07788	5.5
191.08549	0.9
193.06473	0.9
193.10185	2.6
194.07213	1.2
194.10738	1.2
195.08087	3.6
195.09850	0.7
195.11717	13.7
196.12129	0.4
202.07918	0.4
203.08563	0.6
204.09370	0.7
205.04774	0.5
205.10178	6.6
206.10811	0.4
207.08054	4.4
208.08847	100.0
208.12178	3.6
209.09248	2.4
222.10222	1.0
223.11198	98.6
223.14467	8.3
224.11586	1.7
225.04326	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01812	0.3
55.05446	0.4
62.98940	0.3
64.37236	0.3
67.05421	0.4
70.02287	1.6
72.74986	0.3
79.05411	0.5
81.06966	0.8
91.05370	1.1
91.53109	0.3
91.70239	0.3
93.06963	0.7
95.04967	1.6
95.08517	0.8
98.21518	0.4
107.04906	0.8
115.05443	1.9
120.84473	0.3
121.06430	0.6
129.06918	1.2
131.04834	0.5
140.78072	0.3
141.06880	0.5
145.06381	1.0
145.08237	0.4
145.10112	0.4
149.02295	0.8
152.06160	0.9
153.06924	1.3
154.07701	0.4
155.08463	1.0
158.07297	2.5
163.11229	0.4
165.07008	12.0
166.07663	1.2
167.08542	3.0
177.06955	0.9
178.07722	1.1
179.08540	5.6
180.09367	9.5
181.06543	1.9
181.10103	2.5
182.07359	1.7
189.07011	1.8
190.06166	0.5
190.07784	6.9
191.08504	1.2
193.06461	0.8
193.10188	2.9
194.07292	2.3
194.10863	0.7
195.08051	7.0
195.11708	8.2
202.07829	0.6
203.08629	0.9
204.09305	0.9
205.10146	6.3
207.08075	5.5
208.08841	59.1
208.12238	1.9
209.09215	1.2
221.09599	0.5
222.10435	0.7
223.11201	100.0
223.14822	5.9
224.11455	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	222.0015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70440	0.8
53.82175	0.8
70.69804	2.5
101.00877	2.4
103.18311	0.8
118.00404	5.1
118.50471	1.0
119.00325	1.2
119.01951	2.0
120.95341	1.4
127.00922	2.6
129.51189	4.2
130.01253	1.4
137.51625	1.0
138.51776	1.5
138.96419	21.0
139.51543	1.6
150.57819	0.8
153.00636	1.1
153.50655	1.0
156.97485	100.0
157.97585	2.9
164.51459	2.0
165.01497	1.2
167.00438	1.2
171.52220	1.4
173.51944	1.0
174.98544	49.3
177.00957	2.0
177.51321	0.9
179.99126	2.8
180.97435	1.9
186.51953	0.9
186.98145	1.4
195.48770	1.7
195.98563	2.7
198.50800	1.6
198.98538	32.2
200.51559	1.0
207.49541	1.3
207.51468	3.6
208.01529	2.0
216.52165	1.8
216.99609	46.0
217.99706	1.9
232.17332	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06459	0.6
53.03953	2.3
55.05514	70.0
58.99587	4.1
70.89812	1.1
76.02225	2.2
83.08621	100.0
84.08931	0.6
86.99059	5.7
88.05753	0.5
99.48118	0.5
101.09657	12.2
103.74100	0.6
105.00100	7.7
122.02705	1.1
159.08443	1.4
205.08939	13.2
222.11516	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	0.9
60.07883	0.6
60.08168	4.4
66.66412	0.4
70.22375	0.9
70.22748	0.9
104.10751	100.0
105.11070	0.5
134.37570	0.5
215.50874	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03946	3.0
55.01876	2.3
55.05516	14.8
57.03434	2.0
57.07084	6.5
59.05005	1.6
65.03918	1.4
67.05511	15.0
69.03429	2.9
69.07073	15.0
70.06611	2.0
70.41552	4.1
70.41902	1.3
71.05003	19.2
71.06931	1.8
71.08624	2.6
72.08174	2.2
79.05504	17.1
81.03426	3.3
81.07061	58.2
83.05016	6.1
83.08632	6.5
85.06549	3.1
89.06020	1.4
91.05481	20.7
91.55286	1.2
93.07053	44.6
95.04955	4.3
95.08611	33.9
95.09184	2.6
97.02902	1.6
97.06530	4.7
97.10175	3.6
98.97590	2.1
99.08096	4.2
104.10757	2.6
105.07035	30.2
106.22520	1.3
107.04958	2.6
107.08598	66.9
109.02895	1.2
109.06512	6.6
109.09473	1.9
109.10167	23.9
111.08089	5.5
113.09624	1.9
117.06976	2.1
119.08585	47.2
121.06490	3.8
121.10138	15.3
121.58205	1.3
123.08074	5.5
123.11687	17.2
125.09653	2.9
127.11194	5.3
131.08560	2.2
133.10135	30.2
135.08109	1.6
135.11697	100.0
137.09631	7.0
137.13255	4.4
145.10135	9.4
147.08102	2.1
147.11700	17.8
149.13257	6.6
151.11200	3.0
157.10152	1.4
159.11697	4.0
161.09561	2.8
161.13254	21.4
163.11174	16.9
163.14841	5.8
165.09113	2.6
165.12703	3.0
175.11244	1.4
175.14828	5.8
177.09167	1.7
177.16414	1.9
179.08345	1.4
179.14330	13.6
179.17950	1.3
185.13266	1.4
193.15907	2.5
203.14345	5.1
203.17982	29.8
203.20976	2.3
206.16295	2.2
221.07896	1.7
221.15446	14.6
221.19019	37.1
221.22011	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1539
Annotation	Oblongolide
Peak:m/z	Relative Intensity
53.03941	0.8
55.05513	5.1
56.96564	1.2
57.03438	0.9
57.07083	3.4
59.05015	0.6
67.05238	0.6
67.05513	6.5
69.03426	0.9
69.06728	0.8
69.07075	9.1
71.04980	1.0
71.49629	0.9
72.26400	0.6
79.05495	4.2
81.03413	0.7
81.06660	0.8
81.07069	9.6
83.04958	1.3
83.08635	4.3
85.02914	9.2
85.06548	0.9
91.05477	5.4
93.07052	6.8
95.04966	2.4
95.08616	8.7
97.06526	1.5
99.04473	0.7
103.05483	1.1
104.10735	2.6
105.07047	9.8
107.08601	8.3
109.06528	7.4
109.10170	3.7
110.07179	1.2
111.08118	3.1
117.07001	1.6
119.08593	16.6
120.05573	0.6
121.06496	2.5
121.10146	7.8
123.04454	0.6
123.08082	9.2
123.11700	2.4
123.12500	0.6
125.06010	1.4
125.09632	1.1
128.06210	0.6
130.07750	0.8
131.08556	2.2
133.06496	0.8
133.10144	21.9
134.10393	0.6
135.08040	1.9
135.11697	2.5
137.06010	1.0
137.09612	2.6
137.13261	1.2
139.07561	1.1
143.08566	1.2
145.10152	4.3
146.10838	0.9
147.04431	2.5
147.08032	2.8
147.11673	2.6
149.02374	0.6
149.09634	0.7
151.07565	19.3
157.10146	1.8
159.11659	2.5
161.09634	2.1
161.13274	38.5
163.11163	3.4
165.05504	0.8
165.09108	5.6
175.08687	0.7
175.14822	4.1
177.12758	1.5
178.07753	0.8
179.14334	5.8
185.13240	3.0
193.10161	1.4
193.15852	1.2
203.10709	1.1
203.14337	5.5
205.10144	0.7
206.10916	2.6
206.16228	2.7
207.56621	0.7
221.07785	1.3
221.09555	3.5
221.15375	100.0
222.11214	0.7
222.15756	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	221.1537
Annotation	Oblongolide
Peak:m/z	Relative Intensity
53.03948	9.0
55.01867	3.4
55.05273	2.2
55.05516	26.8
56.96548	1.7
57.07063	7.2
59.04983	2.1
65.03931	4.5
67.05510	49.2
69.03417	3.9
69.07072	26.1
71.05005	4.4
71.50340	2.4
73.02925	1.8
79.05070	2.5
79.05501	32.8
81.03416	4.9
81.07063	78.3
82.07343	2.1
83.04977	7.4
83.08643	9.3
91.05486	39.2
93.07050	64.6
95.01324	4.7
95.04971	9.5
95.08614	100.0
97.06520	5.0
97.10165	4.7
98.97557	1.9
99.04443	2.7
99.08131	2.0
104.10728	3.3
105.07037	53.8
107.04955	4.4
107.08603	72.2
109.02895	11.6
109.06508	14.2
109.10163	46.2
111.04400	3.3
111.08079	5.7
111.11737	2.2
115.05468	2.6
117.07008	6.2
119.08592	73.3
121.06507	4.2
121.10155	26.1
123.04440	5.8
123.08062	6.3
123.11732	10.8
125.05994	4.3
125.09636	3.6
127.07538	3.2
128.06192	2.6
129.07005	3.5
131.08531	6.2
133.06479	6.7
133.10141	56.3
135.08080	2.3
135.11699	65.6
137.05974	4.7
137.09612	7.1
139.07521	2.3
142.07787	2.2
143.08575	7.0
145.10115	6.6
147.08061	14.6
147.11682	32.8
149.13275	7.3
151.07526	4.7
151.11180	4.5
153.09093	1.9
157.10124	5.3
159.11705	3.9
160.12498	1.9
161.09607	10.8
161.13268	16.2
163.14828	2.2
165.09154	9.4
165.12703	2.5
170.10878	3.4
173.13208	1.6
175.08855	1.6
175.11147	5.0
175.14835	79.8
177.16356	2.2
179.10712	2.7
185.13327	9.1
193.09967	1.8
193.12321	2.4
193.15845	3.8
203.10718	2.1
203.14349	17.1
203.17970	13.1
206.10854	2.3
206.16214	6.3
221.04398	2.5
221.09561	3.9
221.11723	4.6
221.13461	2.8
221.15378	35.5
221.18890	14.5
234.28299	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1538
Annotation	Dehydrocarissone
Peak:m/z	Relative Intensity
53.03942	3.5
54.34560	0.9
55.01627	1.0
55.01870	7.3
55.05517	9.7
56.63541	1.1
56.96566	2.3
57.03440	2.6
57.05186	1.0
57.07068	3.3
59.04987	1.2
59.38973	1.0
65.03934	1.2
66.65728	1.0
67.05509	14.9
69.03420	4.1
69.07075	14.7
69.66441	5.5
71.05003	5.2
71.08640	1.4
72.08141	1.1
72.99255	1.1
79.05501	15.3
81.03423	2.6
81.07056	21.9
83.05000	5.5
83.08615	4.7
85.02911	1.5
85.06536	3.1
88.56593	0.9
90.06598	0.9
91.05487	21.2
93.07053	29.7
95.04976	11.0
95.08608	17.5
97.06533	4.3
97.10199	1.6
98.97600	2.3
99.04462	2.0
103.05521	1.6
104.10760	5.7
105.07047	27.8
107.04962	16.9
107.08595	21.6
109.02847	1.9
109.06536	7.7
109.10162	9.4
111.04419	1.6
111.08067	4.6
117.07031	8.9
119.08598	30.1
121.06535	11.0
121.09341	1.5
121.10161	22.2
123.08065	8.1
123.11698	3.1
128.06262	1.2
129.07028	2.6
130.07849	5.0
131.08589	3.7
133.06529	2.0
133.10147	13.8
134.07266	1.5
135.08075	5.2
135.11708	15.7
137.09624	8.1
137.13245	1.5
143.08594	4.5
145.10138	38.9
147.06927	1.1
147.08066	4.4
147.11703	8.5
149.09619	2.0
149.13298	1.5
151.07632	1.6
151.11208	2.6
151.14813	1.8
157.10202	1.2
158.06020	1.4
159.11699	4.2
161.09622	4.6
161.13283	16.5
163.11194	100.0
165.09135	7.2
173.13506	1.1
175.11194	4.8
175.14822	7.4
177.12758	1.5
179.10692	1.4
179.14317	20.0
185.13295	3.1
187.10191	1.1
191.14203	1.1
193.15883	3.0
203.14304	8.6
203.17978	4.3
206.16249	3.1
221.08240	2.1
221.11839	2.0
221.15384	40.6
221.17104	1.7
221.19003	3.7
221.22023	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	221.096
Annotation	L-Alanyl-L-methionine
Peak:m/z	Relative Intensity
55.01851	0.3
59.44753	0.2
67.05508	0.9
69.03403	0.3
69.36098	1.8
75.87525	0.2
79.05491	0.4
81.07034	0.5
91.05468	0.4
93.07040	0.5
95.04950	0.7
95.08571	0.4
105.07027	0.5
107.08579	0.7
109.10131	0.3
111.08038	0.2
115.05449	0.5
116.68944	0.2
117.07010	0.2
119.08562	0.5
121.10112	0.8
125.09641	0.3
133.10106	0.3
137.09615	0.3
141.06920	0.3
145.10216	0.2
147.08047	0.6
152.06198	0.7
153.07043	0.2
161.13298	0.4
163.11191	0.3
165.07028	2.2
165.09093	0.8
166.07727	0.4
176.06129	0.5
177.06981	0.9
178.07777	21.8
179.08549	1.5
179.14352	0.6
180.09354	0.4
181.06461	0.5
189.06999	0.3
190.07613	0.2
191.08553	2.8
192.09305	1.3
193.10138	13.8
194.07249	0.6
194.10460	0.5
195.08067	0.7
202.07782	5.4
203.08568	2.9
203.14322	0.5
204.09227	0.6
205.06471	2.8
205.10162	0.5
206.07280	7.8
206.10881	2.8
207.07919	0.6
207.11658	0.3
219.08087	2.2
220.08832	1.9
221.09613	100.0
221.13196	4.7
222.09988	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	221.0923
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
52.51723	0.6
55.01862	0.9
55.05470	0.8
56.05010	0.9
57.03415	0.8
60.04493	0.8
61.02922	1.3
69.03410	1.5
69.07061	0.9
69.75420	1.9
69.75829	1.1
70.06588	4.0
70.99849	0.7
71.87946	0.6
72.08138	1.4
73.02902	1.5
74.02439	1.0
74.06062	0.9
75.02670	1.3
77.60259	0.6
81.07034	0.7
82.01440	1.4
82.02923	2.3
84.04502	1.7
84.08106	2.8
84.99589	0.6
85.02873	1.9
86.09700	2.1
89.00867	0.8
91.03939	0.8
91.05475	1.4
94.06573	5.3
97.02872	2.8
98.97611	0.7
100.02497	1.4
101.00866	1.7
103.00642	3.8
103.07448	0.6
104.10747	5.3
108.76151	0.7
110.07146	1.2
111.08080	1.4
112.07607	2.0
113.00862	0.8
113.42789	0.6
115.05466	0.9
116.07081	0.9
119.01890	2.2
120.08090	1.8
121.01668	5.8
121.06506	1.1
123.94125	0.5
124.03921	0.7
128.56639	0.6
130.01109	0.6
130.06537	73.9
131.01927	1.4
131.06851	1.3
132.04460	43.7
133.01637	1.3
133.03459	2.1
134.03525	1.4
135.03185	3.7
136.07658	1.3
139.02658	1.7
145.03494	1.4
147.04335	1.2
147.09178	0.8
148.04761	0.8
148.07590	3.2
148.54793	1.1
149.04724	1.0
152.04727	0.7
153.04221	1.5
156.97508	2.5
157.07623	37.6
158.06024	82.3
159.06340	1.6
161.03029	0.8
172.08261	2.9
173.03026	0.8
174.98505	1.6
175.08682	100.0
176.04645	1.1
176.07095	2.1
176.09021	1.5
177.04308	2.6
185.07214	1.1
186.05534	2.8
190.09270	0.9
198.02563	2.0
198.06165	2.5
198.98636	1.1
203.02225	1.9
203.08183	11.5
204.06500	4.5
206.16460	0.9
216.07251	1.2
221.03302	2.5
221.09256	21.1
221.12790	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	221.0922
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
51.88723	0.5
55.11068	0.5
55.40673	0.4
68.86475	0.6
70.06596	1.1
70.07861	0.4
71.39059	0.9
75.04485	0.4
80.39933	0.4
82.02949	1.2
91.05457	1.1
94.06603	3.1
94.07108	0.5
104.10734	1.4
115.05445	0.7
130.06535	52.9
131.06871	1.1
132.04463	40.6
137.18839	0.5
146.06105	0.8
147.09152	0.7
148.07565	0.8
157.07622	23.7
158.06023	74.9
159.06374	1.6
175.08679	100.0
176.07069	1.8
176.08980	1.4
186.05521	1.7
203.08118	1.0
204.06647	3.2
221.09230	20.6
221.11386	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1698
Annotation	Fabianine
Peak:m/z	Relative Intensity
55.05528	0.4
57.07079	0.5
67.05519	0.6
69.03411	0.2
69.07068	0.3
70.06599	0.2
71.50171	0.3
72.08150	1.1
73.04678	0.2
73.08498	0.2
79.05503	0.7
81.07062	0.6
84.08141	0.2
88.35749	0.2
91.05482	0.8
93.07044	0.7
95.04996	0.2
95.08627	0.4
103.05473	0.8
104.05803	1.2
105.07053	0.9
106.07369	0.2
107.04925	0.2
107.08590	0.4
117.06998	0.3
118.06554	10.5
119.07372	0.4
119.08588	0.9
120.08075	0.3
120.08880	0.2
121.10169	0.4
131.04944	2.7
131.07251	0.2
132.04353	0.3
132.05283	4.4
132.08086	3.5
132.08980	0.5
133.08867	1.5
133.10097	0.6
134.09634	0.8
135.08040	0.3
135.11676	0.2
142.07407	0.2
145.10143	0.6
146.09615	3.1
147.10455	0.2
148.11169	0.2
159.11627	0.2
160.11125	0.4
161.03003	0.3
161.13260	0.5
162.09158	6.0
163.09776	0.3
174.09210	0.3
175.07068	0.2
176.10779	3.8
176.14359	26.5
177.11504	1.3
177.12842	0.3
177.14708	0.3
190.07385	0.7
190.09641	0.2
190.12279	2.7
191.08273	1.2
191.12978	0.3
192.08890	3.5
202.15912	0.7
203.12624	2.0
203.14299	0.4
204.14717	0.3
205.15891	2.6
207.85536	0.2
220.08449	3.6
220.16972	100.0
221.15353	0.4
221.17284	2.1
230.07976	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1182
Annotation	D-pantothenic acid
Peak:m/z	Relative Intensity
53.02462	0.8
55.01881	5.5
55.05507	3.8
55.93500	0.9
56.02205	2.3
56.05030	2.2
56.96557	1.3
57.03432	2.0
57.07081	8.9
58.06586	1.1
59.05010	5.1
60.04519	3.2
61.02654	1.1
61.02934	18.0
62.03256	6.3
67.05507	7.3
69.03425	2.5
69.07077	6.3
69.42811	6.4
70.02958	7.2
70.06599	6.2
71.01360	28.3
71.05007	1.2
72.01324	1.0
72.01697	14.9
72.04520	15.3
72.08163	16.0
73.02914	4.1
74.02457	1.5
75.04487	42.0
76.04420	2.0
76.04821	21.8
79.05486	1.2
81.07047	3.7
83.04971	2.4
84.04504	2.6
84.08150	9.4
85.02921	1.4
85.06551	11.5
86.06068	5.6
86.09717	6.1
87.04479	22.7
87.08101	1.8
88.04792	8.6
89.02407	6.4
90.02725	3.0
90.05562	100.0
91.05470	3.5
95.04985	7.7
95.06087	1.5
96.08135	3.0
98.02422	16.2
98.06068	20.6
98.97579	1.4
100.03992	3.0
101.06017	1.1
103.03953	37.4
103.07578	7.8
104.04286	36.6
105.04357	0.9
105.07070	1.8
110.07162	3.9
113.05991	3.1
114.05540	1.0
115.03815	0.9
116.03455	15.0
116.98687	1.0
119.01885	0.9
120.08083	2.2
121.06490	1.2
121.08445	1.2
124.07614	17.9
126.09051	1.1
128.07024	1.4
130.08705	1.5
131.03395	5.5
132.03703	7.1
136.06192	2.2
136.07552	0.8
140.10724	11.2
142.08629	8.5
144.10229	4.7
145.10141	2.5
146.06000	2.4
156.07689	3.1
156.10266	1.6
158.05954	2.0
158.11777	60.9
159.02916	27.6
160.03242	76.4
160.09686	2.3
161.03290	2.0
162.13467	1.1
164.03421	1.0
164.10713	1.2
166.08661	2.8
174.05469	1.2
174.09138	1.0
174.11288	2.4
175.08672	2.1
177.12785	2.2
184.09706	22.3
187.02455	1.8
188.02716	10.3
189.12587	0.9
192.06596	1.7
202.08829	1.5
202.10759	29.3
202.14417	4.7
204.14696	3.4
205.15887	21.1
220.05342	9.0
220.09721	4.3
220.11749	27.1
220.15454	4.9
220.17874	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
50.50127	0.6
53.03941	1.0
55.01858	0.6
55.05514	6.1
57.03439	1.0
57.07056	1.0
57.94686	0.6
65.03954	0.8
67.05510	10.0
69.03436	1.4
69.07074	6.3
69.94740	2.2
71.04993	3.8
71.63857	0.7
79.05497	7.7
81.07065	23.0
83.04972	1.3
83.08635	1.7
83.60797	0.7
85.06527	1.7
91.05479	8.0
93.07052	18.4
95.04978	6.3
95.08616	22.3
97.06538	5.0
97.10147	0.9
105.07040	26.6
107.08604	22.2
109.06499	5.5
109.10172	15.2
111.08090	4.4
117.07013	4.9
119.08595	20.9
121.06483	3.6
121.09314	1.3
121.10145	14.4
123.08087	7.5
123.11725	2.9
125.09608	1.6
129.07036	1.9
130.07773	0.8
131.04933	1.2
131.08580	10.0
133.10138	9.7
135.08051	2.8
135.11691	8.7
137.09615	1.5
143.08585	1.0
144.09343	2.3
145.10133	25.5
147.11690	5.7
149.09624	6.9
149.13257	3.7
151.11136	1.5
157.10092	1.6
159.02870	0.7
159.08113	1.0
159.11693	19.9
161.13266	27.2
162.13597	1.0
163.11183	10.9
163.14842	3.7
171.11928	0.7
173.13254	7.4
175.11249	0.8
175.14822	4.4
177.12779	2.2
177.16365	1.3
191.08636	1.7
191.14308	1.6
191.17938	3.1
201.16400	39.4
202.16792	1.0
203.14354	5.7
219.11688	2.4
219.13863	3.8
219.17450	100.0
220.17776	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	219.1746
Annotation	Dihydromylione A
Peak:m/z	Relative Intensity
53.03939	1.6
55.01871	1.3
55.05519	6.6
57.07075	1.9
59.04995	1.4
67.05510	12.4
69.03412	1.1
69.07075	20.1
70.03353	2.3
71.04971	2.5
79.05074	1.2
79.05500	13.1
81.03423	1.5
81.07066	15.7
83.04977	2.4
83.08640	3.9
85.06537	1.9
91.05490	14.6
93.07047	18.5
95.04950	2.8
95.08617	20.0
97.06520	3.0
97.10150	1.2
105.07038	19.7
107.04954	2.3
107.08604	19.2
109.06527	4.0
109.10168	15.2
111.08060	2.2
115.05435	1.2
117.07013	4.8
119.08590	17.6
121.06492	3.0
121.10152	19.7
123.08075	1.8
123.11688	4.0
125.09627	1.6
130.07750	1.0
131.08583	12.1
133.10129	8.6
135.08055	4.3
135.11690	11.6
137.09602	6.3
137.13240	1.1
138.88348	0.7
145.10132	15.7
147.11719	5.1
149.09642	6.2
149.13251	4.5
151.11142	1.8
157.10117	0.8
159.07997	0.7
159.11710	8.8
161.13271	8.8
163.11197	11.2
163.14894	1.2
167.41743	0.7
173.13261	3.0
175.14859	4.6
177.12753	3.1
177.16376	1.3
189.16524	0.7
191.17967	6.7
193.73326	0.7
201.16397	12.7
203.14371	3.4
219.17455	100.0
220.17735	1.6
222.86430	0.9
232.80125	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1341
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
55.05519	0.7
60.04529	100.0
61.02932	0.7
64.09403	0.6
69.07057	0.7
70.02952	0.7
70.06606	0.9
70.90973	1.6
71.01379	1.7
72.08140	0.9
75.04476	1.4
84.08159	0.8
85.62569	0.6
86.09710	71.7
86.24018	0.6
87.05596	4.4
101.45182	0.6
103.03956	1.6
116.26630	0.6
119.02032	0.9
120.08128	1.1
121.01681	0.9
128.10767	2.3
129.87039	0.6
131.03471	0.9
132.10214	50.9
136.02728	0.5
148.12735	0.6
158.11794	0.7
159.02946	1.5
160.77478	0.6
172.09734	0.8
173.12869	25.4
201.12389	3.6
203.14359	0.8
219.13394	6.5
219.17531	1.8
221.52426	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.2
55.01860	0.4
55.05502	0.7
57.03424	0.7
57.07078	5.2
58.06579	0.6
58.07418	2.1
62.06076	0.4
67.05505	1.8
69.07048	0.5
70.06597	8.9
70.54742	0.5
71.04993	0.6
71.06306	0.4
71.06929	4.8
71.08630	2.8
72.08147	0.3
72.08967	1.4
73.24030	0.2
74.06069	0.2
79.05504	1.6
81.07066	1.7
83.04966	0.3
86.00895	0.2
87.04448	0.4
88.07638	13.9
89.07400	0.4
89.07960	5.7
91.05489	4.4
93.07031	1.8
95.04976	0.4
95.08595	0.8
97.06524	0.7
101.45938	0.2
102.08654	0.3
102.09200	2.5
103.05454	0.6
103.08925	0.4
103.09512	2.2
105.07034	3.9
106.08672	6.6
107.04931	0.2
107.09111	2.5
109.06512	0.5
109.10136	0.2
111.04439	0.3
114.63143	0.2
115.05498	0.6
117.07034	4.0
118.52986	0.2
119.08592	2.4
121.06490	0.4
121.10130	0.9
123.08068	0.5
129.07025	1.6
131.04935	1.4
131.08577	5.6
131.09538	0.4
133.10159	1.2
135.08081	1.1
135.11661	0.4
137.05986	0.2
141.06989	1.2
142.07706	0.4
143.08548	0.7
144.09344	0.6
145.06508	0.2
145.10138	3.5
147.08018	0.5
147.11700	0.6
149.06009	0.2
155.08539	1.3
157.06480	0.3
157.10143	1.5
157.17804	0.4
158.07277	0.4
159.08083	1.6
159.11708	8.1
159.13048	0.4
161.09702	0.5
161.13261	0.6
163.07509	0.3
163.11174	1.0
168.09235	0.3
173.09625	0.4
173.13268	3.3
174.06770	1.5
174.18620	0.3
175.11203	0.6
175.18904	1.0
177.09128	0.4
183.11726	2.6
186.06853	0.4
189.07501	0.3
189.09070	1.6
190.07765	0.5
191.08551	0.8
191.14360	1.0
201.09129	0.9
201.12762	3.6
201.16486	0.6
201.20445	7.8
202.12262	0.4
203.14354	1.2
218.21144	0.4
218.39305	0.2
219.08064	0.7
219.10257	1.1
219.13858	7.0
219.17419	5.0
219.21504	100.0
220.21762	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1019
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
53.43423	0.4
54.28949	0.4
55.01936	0.9
55.05586	2.0
56.96624	0.4
57.03497	0.9
59.05054	0.9
67.05580	3.3
67.49335	0.3
69.03484	0.7
69.06826	0.4
69.07143	1.5
70.85740	1.0
71.01404	0.4
71.05033	0.7
72.07806	0.6
72.08163	12.8
77.03999	0.6
79.05509	3.1
81.03477	0.6
81.07070	3.4
83.05027	0.5
83.08688	0.7
85.02982	0.5
89.10860	1.5
91.05489	9.8
93.07053	4.7
95.05034	1.8
95.08659	1.9
97.06590	0.9
98.97594	2.0
103.04033	0.8
103.05476	27.1
105.07053	6.6
107.04999	1.1
107.08605	3.8
108.08328	0.5
109.06583	1.0
109.10186	0.9
111.04482	0.6
115.05460	6.1
116.06284	1.6
117.07031	9.3
119.05010	0.6
119.08597	5.7
120.08092	0.6
121.06569	0.6
121.10184	2.0
123.08105	1.1
125.09622	0.6
128.06250	5.0
129.07018	17.4
130.07787	1.3
131.04939	100.0
131.08578	24.5
132.05287	0.7
133.06494	1.4
133.10114	2.8
135.08070	4.4
135.11690	1.7
137.05974	1.7
137.09618	0.6
141.07010	13.8
142.07736	1.3
143.04926	0.7
143.08537	2.4
144.05722	2.5
144.09294	0.8
145.06480	3.7
145.10123	5.6
146.07246	1.5
147.08081	1.0
147.11723	1.1
148.07539	0.4
149.05928	0.5
149.09605	1.3
153.06929	0.8
155.05984	0.8
155.08533	1.3
157.06493	8.3
157.10066	1.7
158.07286	9.6
159.02844	1.1
159.04361	0.9
159.08078	11.5
159.10503	0.7
159.11700	12.3
160.05229	2.0
160.07440	0.5
161.05899	0.6
161.09622	2.5
161.13171	1.5
163.07504	1.2
163.11147	0.9
165.06935	1.3
168.09319	0.5
169.06493	5.7
169.07785	0.9
170.07262	3.4
172.08742	0.5
173.05975	2.1
173.09514	1.6
173.12039	0.4
173.13283	5.3
174.06781	29.0
175.07547	4.1
175.11133	1.0
175.14752	0.6
177.09070	0.6
177.12675	0.8
183.11610	1.9
186.06769	6.7
187.07414	0.8
188.08220	1.6
189.06952	3.4
189.09116	33.3
190.06213	0.5
190.07805	8.3
190.09372	1.0
191.08578	25.3
191.10458	3.3
191.14268	0.7
192.08862	0.9
201.09116	14.4
201.11130	0.7
201.12733	6.2
201.16273	1.5
202.12282	32.8
203.12665	0.5
203.14299	3.9
219.07855	17.4
219.09964	32.1
219.13293	12.2
219.17212	16.2
219.20615	0.7
220.10287	0.6
229.07289	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1018
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05537	0.6
55.37740	0.4
57.03446	0.6
59.56594	0.5
67.05518	1.0
69.53563	1.2
69.53982	2.3
70.06573	0.5
72.08159	12.9
77.03911	0.6
77.84988	0.5
78.45308	0.5
79.05477	0.8
81.07059	1.7
85.08458	0.6
89.10809	1.2
91.05486	5.9
92.87437	0.5
94.93820	0.5
95.04988	0.5
95.08640	0.6
98.20750	0.6
103.05472	26.1
104.05730	0.5
105.07025	2.4
107.08599	0.8
115.05441	5.4
116.06255	1.8
117.07012	1.5
119.08601	1.4
120.08121	3.8
121.06512	0.7
121.10139	1.0
128.06236	5.6
129.07013	21.8
130.07825	1.1
131.04938	100.0
131.08574	19.6
132.05351	0.6
133.01100	0.5
133.10097	1.0
135.11612	0.6
137.05972	2.5
141.06995	18.7
143.04909	0.9
143.08580	2.1
144.05710	3.5
145.06496	5.0
145.10139	1.6
146.07288	2.7
147.04425	0.6
147.11684	0.6
148.05205	0.6
148.07567	0.6
155.06070	0.7
157.06488	11.0
158.07286	12.2
159.02969	0.7
159.04428	2.0
159.08067	13.4
159.11711	1.5
160.05228	3.1
161.09625	2.6
161.13336	1.0
163.07547	1.6
165.07014	1.5
168.05672	0.8
169.06505	7.5
169.07787	0.9
170.07277	3.5
171.08057	0.8
173.05994	2.6
173.09592	1.2
173.13266	1.2
174.06779	39.9
175.07552	5.8
185.05952	1.1
186.06793	9.9
187.07446	0.6
188.08359	1.9
189.07079	5.1
189.09106	46.2
190.07800	11.3
190.09401	1.3
191.07132	1.1
191.08580	30.7
191.10631	3.8
192.08919	1.0
201.09114	20.3
201.16405	0.9
202.12283	31.8
203.14270	1.1
219.08086	14.0
219.10205	46.8
219.17471	7.1
220.10588	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	219.0268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53749	4.9
58.06595	6.8
59.07388	7.4
60.04546	14.0
61.02468	5.0
67.81734	5.2
70.06605	15.0
70.60112	5.7
71.48552	9.5
72.08154	13.4
74.06075	10.7
85.16418	4.9
86.09711	32.6
89.60102	5.5
94.93034	43.7
101.00900	60.6
102.09193	100.0
103.00652	19.0
113.00915	11.0
115.02441	8.3
116.98743	5.9
119.01937	60.1
121.01685	18.1
129.54520	4.8
130.78186	4.8
131.01924	18.1
132.10255	10.4
133.03491	38.6
137.02965	8.8
144.42033	5.7
147.03236	23.4
151.04539	7.3
155.01869	8.9
161.03123	8.8
173.03017	22.1
175.04556	8.6
189.06117	5.5
191.02179	8.3
196.04591	9.9
201.02467	64.7
201.07890	12.1
219.03510	54.0
219.07069	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	219.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	6.7
59.05005	1.8
61.02933	23.3
71.00971	2.2
71.01361	40.2
71.14407	2.0
72.03912	1.2
75.04487	59.6
87.04477	20.4
89.02406	8.6
101.06017	1.5
103.03239	1.7
103.03948	71.0
131.03404	13.9
159.02904	100.0
187.02400	8.4
219.05020	8.4
219.17422	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	219.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82218	1.0
55.01873	6.9
60.04527	1.8
61.02934	23.8
61.14853	1.3
71.01360	43.2
71.02154	1.5
71.02470	2.3
75.04488	63.4
83.87901	1.4
87.04475	24.8
89.02406	10.0
103.03951	78.1
123.40337	1.3
131.03416	14.2
146.06039	1.9
159.02902	100.0
160.19078	1.5
171.02599	1.3
185.63020	1.2
187.02380	11.7
219.05020	9.2
219.17432	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	217.1954
Annotation	CHEBI:73881
Peak:m/z	Relative Intensity
50.07819	1.2
52.91978	1.3
53.03942	1.6
55.01859	3.1
55.05514	43.7
57.07063	2.1
59.04990	4.7
67.05180	2.3
67.05511	27.2
69.03421	3.9
69.07072	15.2
69.86444	4.9
69.86867	2.1
70.06570	3.6
71.04984	2.3
73.02893	1.7
77.55465	1.2
79.05505	10.8
80.02979	1.5
81.07063	41.9
81.17540	1.4
83.04989	56.5
83.08611	7.1
85.06534	5.9
87.04448	5.4
88.07652	1.4
89.02388	6.0
89.06045	8.7
91.05482	15.9
93.07057	27.0
95.04964	3.5
95.08617	57.9
99.04456	2.4
99.78456	1.7
101.06020	20.5
105.07037	42.3
107.08601	39.3
108.08949	1.9
109.06507	3.3
109.10164	64.6
111.04450	73.1
111.08067	2.3
113.06017	9.8
117.07011	4.2
119.08591	47.2
121.06501	2.0
121.10149	42.2
122.10413	1.6
123.08045	2.5
123.11710	20.8
126.09141	1.4
127.07591	9.0
127.09502	4.2
128.06226	3.2
129.05510	12.7
129.06982	4.2
131.08551	9.1
133.06329	1.4
133.10141	28.8
135.08089	2.2
135.11699	10.8
137.05998	3.1
137.13264	2.2
142.07758	4.2
143.08525	7.1
145.06494	1.9
145.10094	6.5
147.08022	2.3
147.11697	33.5
149.09612	1.4
149.13312	2.1
155.07042	91.4
156.07381	2.8
156.09377	1.5
157.10133	9.1
159.11694	10.8
161.09605	4.4
161.13274	46.2
171.11693	5.1
173.06593	2.6
173.08109	51.1
173.13254	4.4
175.11211	4.7
175.14842	15.5
178.78613	1.4
189.06993	1.9
189.16426	7.9
199.09702	4.2
199.11549	6.3
199.14864	9.3
202.02643	1.6
217.04887	1.6
217.08856	1.3
217.10707	40.3
217.12608	8.9
217.16006	33.8
217.19519	100.0
218.16290	1.8
218.21184	6.0
222.53067	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	217.1952
Annotation	CHEBI:73881
Peak:m/z	Relative Intensity
52.67674	1.1
53.03941	1.6
55.05511	16.8
57.07062	1.4
59.05000	1.3
67.05171	1.8
67.05508	19.7
68.26334	1.2
68.61976	1.2
69.07073	12.5
70.06596	1.8
71.04992	1.3
71.06918	1.6
72.05335	1.6
78.95581	1.4
79.05504	7.6
81.07058	28.6
83.04987	17.7
83.08618	5.5
85.06567	1.6
87.04469	2.7
89.02383	2.1
91.05487	9.0
93.07046	12.8
95.08611	45.6
97.10191	3.1
99.04458	1.3
101.06036	6.1
105.07042	30.2
107.08601	30.9
109.10165	52.9
111.04453	23.4
113.05988	2.0
117.05515	1.4
119.08594	29.4
120.08829	1.3
121.09381	1.1
121.10142	30.7
123.11710	21.2
127.07560	2.0
127.09509	5.3
129.05467	5.6
131.08600	2.0
132.07906	1.2
133.10138	19.4
135.06624	2.1
135.11702	9.2
136.07532	1.5
136.08662	1.4
137.05923	1.5
137.13219	3.0
145.10092	1.6
147.11699	32.8
149.13229	1.7
155.07040	28.5
157.10225	1.7
159.11661	3.1
160.07349	1.2
161.09615	2.1
161.11995	2.5
161.13269	35.6
161.39131	1.2
172.48045	1.4
173.08109	15.7
175.09773	1.9
175.14848	7.6
176.09401	2.4
189.16333	3.9
199.09747	3.0
199.11568	9.5
200.12892	1.5
217.10643	14.8
217.12602	14.5
217.16069	2.5
217.19521	100.0
218.19830	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	217.1588
Annotation	(+)-Nuciferal
Peak:m/z	Relative Intensity
50.79715	1.0
53.03943	2.7
55.01866	2.5
55.05515	37.9
57.03435	1.1
57.07058	1.0
59.04987	2.7
65.03944	1.2
67.05510	14.5
68.75675	1.1
69.03418	4.1
69.07071	7.6
70.06578	2.0
71.04990	4.4
71.50359	1.0
71.63577	0.9
73.02911	1.5
79.05499	14.8
81.03384	1.0
81.06590	1.8
81.07062	38.7
83.04985	41.0
83.08615	5.4
85.06535	2.7
87.04455	4.2
89.02406	4.6
89.06031	7.4
91.05486	21.2
93.07050	22.1
95.05001	5.9
95.08613	31.3
97.06524	2.4
97.10162	1.8
99.04459	2.8
101.06029	15.9
103.05427	1.5
105.07037	40.0
107.04938	1.3
107.08611	21.6
109.06532	8.5
109.10167	16.3
111.04449	58.3
111.08100	2.0
112.10323	0.9
113.06017	5.8
115.05464	2.1
116.06258	1.1
117.07018	6.5
119.08593	37.5
121.06503	8.8
121.10146	12.9
123.08074	6.0
123.11712	3.4
126.09182	1.2
127.07570	9.1
127.09535	2.8
128.06236	5.0
129.05510	9.7
129.07011	4.8
130.07726	0.9
131.08589	11.4
133.06505	2.0
133.10136	26.4
133.11102	1.8
135.08064	4.7
135.11676	3.3
137.06020	1.7
137.09628	3.1
142.07791	6.3
143.08571	13.9
144.09344	3.0
145.10130	12.5
146.07259	1.2
147.08063	4.5
147.11697	17.1
149.09634	3.2
149.13356	0.9
151.35170	0.9
155.07040	75.0
156.09331	1.3
157.10141	24.7
159.08060	1.4
159.11697	20.4
160.08806	1.5
161.09642	17.1
161.13249	15.0
169.10144	1.3
170.10965	1.2
171.08104	2.4
171.11694	5.9
173.08116	38.7
173.09534	1.9
173.13225	5.9
175.11189	13.5
175.14813	7.5
184.12505	2.0
189.12744	2.9
189.16409	15.1
199.07564	4.3
199.09671	3.7
199.11584	3.6
199.14835	19.8
215.14308	0.8
217.04939	1.7
217.09021	1.4
217.10701	33.0
217.12518	6.6
217.15891	100.0
217.19244	15.8
218.16240	1.6
218.21237	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1549
Annotation	L-Valyl-L-valine
Peak:m/z	Relative Intensity
55.01848	0.4
55.05510	5.8
56.05040	3.8
59.05007	1.3
60.05171	0.5
67.05502	0.7
69.03426	0.8
69.07087	0.6
70.06597	0.8
70.88985	1.2
71.08639	20.6
72.08163	0.5
73.37837	0.4
79.05496	0.6
81.07054	0.7
83.04990	7.2
83.06100	0.6
84.04512	71.4
84.08118	0.5
85.02918	3.6
85.06543	0.7
87.04485	1.0
88.11277	100.0
89.02413	0.8
89.06051	1.3
89.11642	0.6
91.05503	1.3
93.07055	1.9
95.08601	0.6
98.06084	1.1
100.59470	0.4
101.06041	1.9
102.05560	3.2
105.07040	2.2
107.08585	0.8
111.04450	10.8
113.06020	1.5
117.07036	0.6
119.08590	3.0
120.33945	0.5
121.10154	3.0
127.07568	1.1
129.05492	1.2
129.07011	0.8
130.05020	21.4
131.08604	1.6
133.10144	1.8
135.08076	2.4
137.05949	0.5
142.07802	1.0
143.08546	1.4
144.09448	0.6
145.10098	1.0
147.11682	0.5
155.05772	0.7
155.07050	12.9
157.10168	2.8
159.11703	2.8
160.52614	0.4
161.09647	2.0
171.14938	14.0
172.13255	1.0
173.08116	7.6
173.13350	0.9
175.11214	1.1
189.10255	0.5
189.16411	0.6
199.09744	0.5
199.14641	1.4
200.12837	66.9
201.13074	0.7
217.05055	0.5
217.10844	4.4
217.15549	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	217.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
68.09519	0.5
70.10951	2.1
72.24670	0.5
81.73014	0.5
82.99844	11.2
85.01408	9.7
96.99909	0.6
101.00889	66.4
102.00986	1.0
103.02448	14.4
110.99279	0.9
111.00481	0.9
113.00869	4.8
119.01929	83.5
120.02011	2.5
121.03489	2.6
127.02432	11.6
129.00354	3.5
131.01923	12.3
137.02962	9.1
142.03522	0.6
145.03471	100.0
146.03619	1.6
147.01416	6.7
149.02979	1.8
153.00316	0.7
156.97510	0.8
163.04532	26.0
165.00624	1.0
165.02406	0.5
168.05093	1.0
171.01404	6.1
173.02957	4.4
174.01071	0.6
175.00902	2.6
188.00960	0.7
189.02458	34.5
191.04094	2.8
193.01929	2.1
199.00957	2.5
207.03523	9.0
217.01945	7.7
235.02977	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	217.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77701	0.4
55.83553	0.4
58.99870	0.7
68.16707	0.4
70.10265	1.4
70.99850	0.4
82.99844	10.8
85.01414	9.0
86.41571	0.3
101.00888	65.6
102.00974	1.6
103.02457	12.9
110.99306	1.0
111.00416	0.9
113.00874	5.3
119.01929	79.3
120.02014	2.2
121.02560	0.5
121.03474	3.6
124.00378	0.5
127.02422	11.7
129.00343	3.4
131.01918	12.9
132.99829	0.5
137.01945	0.4
137.02948	8.8
142.03549	0.8
143.01196	0.4
145.03471	100.0
146.03543	2.0
147.01392	6.2
149.02998	2.0
153.00327	1.2
155.01802	0.5
156.97495	1.4
157.50633	0.4
163.04541	23.2
164.04640	0.5
168.05057	1.1
170.99089	0.8
171.01410	7.1
171.03006	0.8
173.02966	4.3
174.98518	0.5
175.00906	2.5
178.51193	0.6
186.11328	0.4
188.00983	0.5
189.02460	34.5
190.02635	0.8
191.04045	2.8
193.01950	2.4
198.98741	0.5
199.00919	2.9
200.99858	0.5
207.03517	9.2
212.03740	0.4
216.99792	0.6
217.01930	7.4
217.03967	0.6
235.02974	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	215.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30445	1.1
55.05501	3.5
67.05522	6.5
69.07077	5.4
69.25714	2.5
69.26118	7.3
70.06605	6.1
71.04980	3.2
74.09724	9.9
79.05489	6.4
81.03414	2.4
81.07061	13.3
83.08620	3.9
88.02201	1.3
91.05482	7.2
93.07034	11.6
95.08613	14.9
98.21471	1.8
102.04848	1.1
105.07040	23.1
107.08607	15.9
109.10172	6.9
110.06033	1.1
111.04427	1.3
111.55357	1.0
111.78538	1.0
112.07613	1.1
116.05306	2.8
117.07036	9.8
119.08590	21.6
121.10155	12.8
123.11729	1.6
126.09164	12.0
129.07030	3.4
130.07838	1.9
131.08580	27.5
132.95813	3.7
133.10139	11.5
135.11696	3.2
142.07823	1.4
143.08574	3.4
144.09315	4.5
145.10130	34.0
147.11700	5.8
150.96870	3.2
157.10124	3.8
159.11707	69.3
160.12317	2.5
171.11707	1.9
172.12425	1.3
173.13284	23.1
174.07681	1.4
186.14000	1.6
187.14804	5.1
197.13240	1.5
198.11259	12.8
215.10789	3.9
215.14417	3.8
215.17964	100.0
215.21948	9.8
216.12318	18.9
216.18274	2.7
234.93456	1.1
237.52402	1.1
238.60709	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29013	0.8
51.48137	0.7
53.03943	1.0
53.67040	0.7
55.05502	3.4
57.07067	0.9
67.05516	5.5
69.07088	3.9
69.23093	7.4
70.06580	1.2
71.04986	1.3
79.05492	8.2
81.07063	15.4
83.08607	1.3
91.05483	8.7
93.07051	12.8
95.08618	12.7
97.10157	0.8
105.07042	22.0
107.08597	18.3
109.10164	6.9
117.07026	9.3
119.08586	22.5
121.10152	13.6
123.11724	1.3
126.09184	1.6
129.07019	3.1
130.07774	2.7
131.08577	23.4
132.95898	1.0
133.10144	10.4
135.11699	3.0
143.08533	3.1
144.09364	6.3
145.10132	32.1
146.10545	1.1
147.11685	5.4
157.10133	3.1
158.10936	1.8
159.11707	74.9
160.12320	2.7
171.11734	2.7
172.12488	1.0
173.13284	21.6
185.13269	1.6
186.14067	1.0
187.14807	5.3
198.11235	1.6
200.15596	1.3
215.17966	100.0
216.12292	1.4
216.18294	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	215.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
55.05515	6.6
57.07073	1.1
65.03927	0.7
67.05510	11.1
69.07064	4.4
69.40015	3.3
70.06586	1.8
71.04993	1.2
72.08141	0.5
77.03941	0.5
79.05499	11.6
81.03417	0.5
81.06592	0.8
81.07061	14.1
83.04993	0.4
83.08615	2.0
91.05486	20.8
93.07047	10.5
95.08611	14.0
97.10166	1.2
103.05502	0.5
105.07031	19.6
107.08595	6.2
109.10171	2.2
115.05461	1.5
116.06224	0.8
117.07024	17.4
119.08596	15.3
121.10156	8.9
126.09184	4.2
129.07013	1.9
130.07764	1.4
131.08574	45.7
132.95810	0.8
133.10138	21.6
135.11707	3.9
143.08543	1.9
144.09319	1.7
145.10130	31.1
146.10825	0.7
147.11694	10.9
149.13228	1.4
150.96942	1.1
155.08649	0.4
157.10120	1.8
158.10919	1.0
159.11700	32.9
159.62726	0.5
161.13260	1.9
171.11746	3.0
172.12447	1.4
173.13272	28.9
174.13760	0.6
186.14000	1.1
187.14836	9.3
198.11241	4.9
213.16286	0.5
215.17963	100.0
216.12320	6.1
216.18294	2.6
223.54068	0.5
227.90623	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
55.05509	4.6
56.02681	0.5
56.13394	0.5
57.07059	1.8
67.05505	7.6
69.07067	3.3
69.77644	0.5
70.06595	3.3
70.95941	0.6
71.04986	1.8
71.08599	1.2
71.24287	1.1
74.09703	0.9
77.03930	0.7
79.05067	0.7
79.05492	7.7
81.03448	0.7
81.06596	1.0
81.07060	17.2
82.06574	0.6
83.08609	1.9
84.08139	0.7
91.05481	8.1
93.07050	13.9
95.04995	0.9
95.08606	13.5
97.10250	0.6
103.05469	0.7
105.04494	0.7
105.07030	23.5
107.08601	16.8
109.06518	0.7
109.10156	6.9
115.05444	1.2
116.06254	1.0
117.07017	10.4
119.08583	24.5
121.10137	13.6
123.11699	1.4
126.09143	6.5
129.06999	3.8
130.07796	2.5
131.08568	28.1
132.08896	0.5
132.95825	1.8
133.10124	12.9
135.11674	3.2
141.06900	0.6
142.07767	0.8
143.08562	4.2
144.09351	4.6
145.10126	36.9
147.11710	6.0
150.96873	1.8
154.08676	0.9
155.08539	0.8
157.10121	4.3
158.10901	1.9
159.11697	70.7
160.12247	1.9
167.97296	0.6
169.10020	0.7
171.11676	2.1
172.12453	2.1
173.13271	22.7
174.13664	0.7
185.13130	0.9
186.14038	1.3
187.11237	0.7
187.14824	6.1
197.13240	0.6
198.11279	6.8
200.15614	1.2
213.16397	0.9
215.14403	3.7
215.17958	100.0
215.25641	4.4
216.12331	10.7
216.14317	0.6
216.18346	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	215.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03749	0.7
53.73939	0.8
54.55675	0.7
55.05508	5.0
57.07059	1.7
63.09513	0.7
65.03918	0.8
67.05502	6.8
69.07059	3.3
70.06590	5.3
71.04980	2.8
71.49893	1.2
74.09727	1.2
79.05509	7.1
81.03402	1.0
81.07059	14.7
81.07524	1.1
82.06536	0.9
83.08577	1.9
84.08163	1.2
90.94820	1.4
91.05485	10.3
93.07052	13.1
95.04990	0.8
95.08611	11.6
97.10157	1.4
105.07036	25.5
107.08612	15.9
109.10177	5.4
110.05999	1.0
115.05435	1.1
116.06242	1.2
117.07026	12.1
119.08591	20.6
121.10136	12.2
123.11729	1.0
126.09165	10.8
128.06177	1.3
129.05489	1.0
129.07025	5.6
130.07790	2.7
131.04944	0.9
131.08582	35.3
132.24490	0.8
132.95856	5.4
133.10149	10.9
135.11707	1.7
141.06978	1.2
142.07756	1.6
143.08574	3.4
144.09355	7.1
145.10136	43.8
146.10847	1.6
147.11736	4.3
150.96860	4.9
155.08524	0.9
157.10181	5.3
159.11702	98.3
160.12262	2.6
162.69250	0.8
169.10152	1.3
171.11745	3.0
172.12589	1.3
173.09633	1.2
173.11772	1.2
173.13278	23.2
185.13275	1.0
186.14030	1.7
187.14888	5.1
191.97133	1.5
197.13251	1.1
198.11267	13.4
200.15666	0.9
215.07007	1.9
215.10774	2.7
215.14386	4.7
215.17967	100.0
216.12331	18.9
216.18312	3.5
228.83180	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
55.05521	3.7
57.07066	1.2
67.05501	5.5
69.07093	3.1
69.22709	6.3
79.05502	7.0
81.07069	13.9
83.08633	1.7
91.05492	8.1
93.07059	12.0
95.08612	11.5
97.10167	1.0
98.20702	1.3
105.07042	21.7
107.08597	17.8
109.06561	0.7
109.10177	6.5
115.05404	0.6
117.07031	8.3
119.08592	23.8
121.10146	14.7
123.11687	1.4
126.09162	1.1
128.06180	0.8
129.07014	2.2
130.07785	2.9
131.08577	24.6
133.10152	11.5
135.11685	4.1
142.07774	0.9
143.08562	2.6
144.09341	6.2
145.10132	34.7
147.11681	5.9
157.09007	0.6
157.10115	3.6
158.10962	1.8
159.11705	72.8
160.12280	2.4
161.04076	0.8
161.13297	0.6
161.61945	0.7
171.11711	2.9
172.12480	1.6
173.13287	23.3
185.13286	1.6
186.14063	1.5
187.14830	5.9
198.11235	2.1
200.15602	2.1
213.16458	0.7
215.17975	100.0
216.12288	2.7
216.18263	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	215.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.9
55.05511	3.5
57.07071	1.6
61.26266	0.6
64.48703	0.6
65.57241	0.6
67.05502	6.4
69.07085	3.7
71.08610	0.7
71.30338	1.1
77.03897	0.7
79.05494	8.6
81.07058	14.3
83.08630	1.5
91.05483	9.6
93.07041	12.6
95.04942	0.8
95.08610	13.0
105.07034	25.3
107.08593	17.8
108.49009	0.6
109.10160	7.0
115.05518	0.8
116.06168	0.8
117.07024	10.4
119.08585	23.9
121.10146	14.2
123.11724	1.4
128.06195	0.8
129.07004	2.6
130.07790	3.4
131.08575	27.7
133.10127	13.1
135.11650	3.2
142.07797	0.9
143.08582	2.9
144.09348	5.5
145.10124	36.8
147.11668	5.4
157.10164	4.4
158.10866	2.0
159.11697	77.7
160.12294	2.1
171.11693	2.4
172.12582	1.1
173.11761	1.5
173.13263	24.2
174.13614	0.9
176.17252	0.6
179.54134	0.7
185.13199	1.1
186.14113	1.1
187.14821	6.6
200.15457	1.2
200.85406	0.6
215.17963	100.0
216.12222	0.7
216.18344	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	215.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.6
53.78548	0.5
55.05526	3.8
57.07051	1.7
65.03936	0.7
66.34272	0.6
67.05512	6.7
69.07073	4.4
70.06586	1.9
71.04562	1.3
71.05004	1.4
72.08164	1.0
72.93793	0.6
74.47062	0.6
79.05131	0.7
79.05497	6.9
79.37732	0.6
81.03441	1.1
81.07061	14.7
83.04989	0.7
83.08617	2.3
84.08134	0.9
84.58668	0.6
90.94840	0.8
91.05496	8.8
93.06487	0.9
93.07053	13.5
95.04962	0.8
95.08060	1.1
95.08615	12.4
105.07041	22.2
107.08604	17.2
109.06500	0.7
109.10165	6.4
117.07034	9.7
119.08597	21.5
121.06524	0.8
121.09333	1.0
121.10162	13.1
123.11687	1.4
126.09175	4.5
128.06230	0.8
129.07031	4.0
130.07765	2.5
131.08580	26.0
132.08893	0.6
132.77861	0.6
132.95871	4.0
133.10147	10.6
135.11702	2.8
141.06973	0.8
142.07788	0.6
143.08549	3.5
144.09369	6.0
145.06479	0.9
145.10141	34.9
146.10780	1.0
147.11703	5.7
150.96898	4.2
155.08582	0.7
156.09418	0.7
157.10110	4.6
158.10875	2.2
159.11708	74.0
160.12292	2.2
169.10220	0.8
171.11693	3.3
172.12549	1.0
173.09697	0.8
173.13290	22.2
185.13264	1.5
186.14024	1.4
187.11221	1.0
187.14848	6.1
191.97163	1.6
197.13277	1.1
198.11255	5.7
200.15567	1.3
213.16406	0.7
215.07022	0.7
215.14450	4.9
215.17975	100.0
216.12364	7.2
216.18283	2.6
221.87509	0.6
222.48811	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01665	0.5
53.03932	1.3
55.05520	3.4
57.07067	1.2
58.72276	0.6
67.05502	6.8
69.07069	2.8
70.06576	1.6
71.04977	1.2
74.09714	0.8
77.03925	0.7
79.05115	0.7
79.05500	5.2
81.07064	11.9
83.08614	2.0
83.44067	0.6
83.99974	0.6
91.05484	7.9
93.07055	11.6
95.08066	1.1
95.08611	11.7
103.05477	0.9
105.07036	20.3
107.08597	15.6
109.10167	6.6
115.05466	0.9
116.06232	0.6
117.07015	8.9
119.08585	22.7
121.10147	13.6
123.08081	0.6
123.11671	1.2
126.09138	2.6
129.07011	3.1
130.07788	2.5
131.08572	25.3
132.08954	0.6
133.10143	11.8
135.11656	3.2
143.08566	1.8
144.09354	5.3
145.10127	30.0
146.10849	0.6
147.11708	4.6
155.43346	0.6
157.10112	2.7
158.10922	1.6
159.11700	74.9
160.12370	2.3
171.11725	1.5
172.12408	0.6
173.11757	1.2
173.13261	21.3
174.13858	0.7
185.13431	1.2
186.14044	1.1
187.14804	5.7
198.11287	4.7
200.15588	1.1
210.95256	0.5
213.16422	0.8
215.17958	100.0
216.12358	4.7
216.18323	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	215.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
55.05525	3.4
57.07073	1.2
65.03944	0.8
67.05505	6.4
68.05036	0.8
69.07063	4.9
70.06593	5.1
71.05008	3.3
72.08121	0.9
74.09698	1.8
79.05499	7.9
81.03417	1.9
81.07064	13.2
82.06567	0.7
83.08620	2.7
84.08119	0.9
91.05479	9.7
91.20966	0.7
93.07044	11.3
93.91061	0.6
95.04979	1.0
95.08066	1.0
95.08613	12.4
100.07597	1.3
103.05513	0.7
105.07038	23.0
107.08597	16.7
109.10156	5.7
110.06075	0.7
111.04419	1.5
116.06168	0.9
117.07018	11.0
117.20718	0.7
119.08591	20.0
121.10150	12.8
123.11708	1.7
126.09158	11.3
129.05444	0.7
129.06982	4.1
130.07793	2.8
130.12294	0.8
131.08575	27.2
133.10139	13.6
135.11707	2.5
139.01566	0.8
143.08582	3.7
144.09351	5.8
145.06450	0.9
145.10124	32.4
147.11688	8.0
157.10146	4.0
158.10909	2.1
159.11702	68.2
160.12289	2.4
161.13266	1.0
171.11685	3.0
172.12570	0.9
173.09694	0.9
173.13275	22.4
174.14107	1.1
185.13261	1.3
186.14073	0.9
187.14810	5.9
197.13303	0.9
198.11296	13.4
200.15570	1.1
215.14438	3.3
215.17961	100.0
215.22139	2.7
216.12331	17.3
216.18283	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	215.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.05514	5.5
57.07066	0.7
65.03934	0.6
67.05511	6.4
69.03402	0.7
69.07075	4.1
70.06583	2.9
71.05011	2.6
72.08137	0.6
72.61698	0.5
74.09734	0.9
77.03915	0.8
79.05492	6.2
79.25288	0.5
79.25765	0.4
81.03421	1.4
81.07059	13.1
83.08611	2.0
84.08167	0.6
89.76771	0.5
91.05492	9.1
92.05825	0.5
93.06490	0.8
93.07050	11.6
95.08618	13.4
96.08179	0.5
105.07041	19.6
107.08604	14.2
109.10177	5.8
110.06052	0.6
111.04453	0.7
111.32822	0.5
116.06266	0.6
117.07037	9.8
119.08595	19.5
121.10150	10.9
123.11726	1.7
126.09162	6.4
129.07043	3.1
130.07779	2.0
131.08578	26.1
133.10147	11.2
135.11702	3.8
141.01241	0.6
143.08597	3.8
144.09369	4.9
145.10136	32.5
146.10912	0.8
147.11694	6.1
150.60780	0.5
157.10139	2.6
158.10922	2.3
159.11707	66.8
160.12253	2.2
171.11726	2.6
172.12410	0.6
173.09663	0.7
173.13275	20.9
174.13913	0.7
180.09949	0.5
185.13280	1.5
186.14067	1.2
187.14854	4.5
198.11290	6.5
200.15570	1.2
215.14417	3.7
215.17972	100.0
216.12343	11.5
216.18272	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	3.7
57.07084	1.2
59.17514	0.7
62.16961	0.7
66.92908	0.7
67.05518	6.8
69.03422	0.8
69.07085	3.3
70.06602	3.9
70.11818	0.7
71.04992	2.2
72.08116	1.1
74.09703	1.8
79.05495	6.2
81.03413	1.0
81.07066	13.7
83.08618	1.8
90.47026	0.7
91.05500	8.9
93.06577	0.9
93.07060	11.3
93.07616	0.6
95.04942	0.8
95.08617	13.3
97.05368	0.6
98.21576	2.6
98.98518	0.9
105.07048	24.3
107.08614	15.9
109.06516	0.8
109.10168	6.6
110.06020	1.0
115.05444	1.0
117.07030	9.7
119.08592	23.9
121.10167	12.6
123.11710	1.5
126.09167	6.3
128.06259	1.0
129.07005	3.0
130.07797	2.5
131.08586	26.1
132.08943	0.7
133.10146	12.2
134.12016	0.7
135.11714	3.1
143.08580	3.4
144.09354	5.7
145.06519	1.1
145.10136	31.7
146.10551	1.1
147.11732	6.8
153.07004	0.9
154.08719	0.9
154.93675	0.7
155.08707	0.7
157.10143	3.0
158.10876	1.9
159.11713	71.3
160.12390	1.6
161.13213	1.1
171.11752	3.6
172.12491	1.6
173.13290	21.7
174.13788	0.8
185.13333	1.2
186.14078	1.5
187.14886	5.2
198.11320	6.5
200.15572	1.3
215.10806	1.7
215.14493	3.1
215.17978	100.0
216.12352	10.0
216.18304	2.3
233.22975	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1434
Annotation	Sangol
Peak:m/z	Relative Intensity
55.05499	4.2
56.96525	1.2
57.03424	1.2
59.05001	37.9
61.60143	0.9
64.26454	0.8
67.05496	3.7
69.07077	1.2
70.06587	3.9
70.95854	1.0
71.04977	3.2
71.13927	2.1
72.08144	1.3
72.93785	2.4
74.09723	1.0
79.05494	2.6
80.34829	1.0
81.07044	5.3
83.04962	1.0
83.08589	1.4
84.08136	2.5
85.06512	1.4
86.09698	1.4
90.94837	2.0
91.05488	9.5
93.07038	1.5
95.08611	6.2
97.06535	1.6
98.97578	2.6
100.03947	0.9
105.07047	12.4
105.07712	1.8
107.08563	1.7
109.06514	1.0
115.05447	3.9
116.06243	2.6
117.07035	9.3
119.08599	9.0
121.10167	0.8
126.09168	3.4
128.06233	6.2
128.82370	0.8
129.07024	11.7
130.07817	9.0
131.08575	20.7
132.08864	1.1
132.95816	13.8
133.10133	2.3
141.07007	10.3
142.07784	38.5
143.08572	17.2
144.05690	1.4
144.09338	1.9
145.10129	89.3
146.10487	1.2
149.96118	1.2
150.96921	11.0
152.06287	1.1
153.07013	3.9
154.07794	4.2
155.06305	0.8
155.08568	19.2
156.09357	14.4
157.10139	68.8
158.10933	6.6
159.08063	100.0
159.11658	9.0
160.08443	1.5
161.02374	3.1
161.09625	1.4
161.13261	3.0
167.08565	23.6
168.09343	7.5
169.10127	30.4
169.11588	1.5
171.11751	6.2
172.08875	1.4
172.12361	2.8
173.02371	7.2
173.09642	12.4
173.13295	9.5
179.14375	1.6
181.10077	1.7
182.10918	63.9
183.11325	1.5
187.07561	1.0
187.11227	2.0
187.14821	13.5
191.97174	3.9
195.11664	1.1
197.13263	92.8
198.11250	3.3
198.13518	1.9
202.81430	0.9
209.98198	2.3
215.07140	4.9
215.14322	95.3
216.12303	4.8
216.14470	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.0591
Annotation	Unknow
Peak:m/z	Relative Intensity
71.09433	60.1
102.93685	29.6
103.99385	31.9
112.89635	60.9
154.64507	33.2
214.05890	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05008	1.0
56.96558	1.4
60.94426	1.0
61.87099	0.9
65.25152	1.1
69.07071	7.3
70.06595	7.8
70.60939	3.0
73.01378	1.0
82.99829	7.9
84.01277	0.9
84.08133	3.2
86.09715	100.0
87.10060	1.1
97.06538	11.0
98.97590	6.2
100.02475	3.7
101.00892	57.5
102.00959	3.9
108.13499	0.9
112.02472	1.7
113.00877	1.8
116.98621	1.3
118.03536	7.7
119.01933	88.7
120.02010	5.2
121.01676	1.2
130.03506	4.0
131.01913	4.4
137.02974	13.9
139.08656	0.9
144.05064	3.4
144.08714	2.6
145.03429	1.5
154.03445	2.4
155.05495	1.9
162.09822	1.5
168.08716	8.5
172.04532	3.7
173.06628	2.0
184.22531	1.0
186.09776	78.6
187.09875	1.8
191.04016	2.4
196.08217	3.1
197.06616	6.7
204.10815	20.4
209.11348	1.3
214.03947	2.3
214.09270	38.5
214.11681	2.8
215.07735	4.5
232.10329	72.1
233.08604	2.0
233.10646	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	214.0477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53926	18.1
61.27314	22.3
69.48573	86.1
69.48999	83.5
70.06586	48.2
82.90994	23.7
95.63222	21.9
98.97593	29.1
112.89617	100.0
139.40625	22.4
179.93314	24.7
179.95108	24.2
208.23692	21.8
211.13503	27.4
213.87096	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1852
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
55.01872	5.0
55.05518	19.5
57.03431	2.1
57.07074	4.4
67.05505	9.7
69.03421	4.4
69.07072	24.0
70.06602	14.9
70.15057	3.1
70.15453	3.5
71.04985	4.8
71.86128	1.9
72.08165	8.6
79.05510	9.8
81.07063	27.3
83.08621	15.3
84.08164	2.1
85.06538	7.3
86.09718	4.6
88.07637	3.2
91.05476	6.1
93.07063	25.2
95.05021	2.7
95.08617	45.4
95.50652	1.7
97.06534	4.7
97.10173	12.8
98.21404	2.2
98.97571	2.2
99.08099	31.7
99.08687	3.1
105.07054	6.8
106.57574	1.8
107.08605	47.3
109.06532	2.4
109.10173	13.2
111.04405	1.8
111.08096	21.8
113.09660	5.3
115.05484	1.7
119.08579	2.3
121.10159	72.8
123.08105	2.5
123.11698	3.8
125.09624	7.1
128.06183	2.6
129.07007	2.8
135.11708	18.0
137.13275	11.9
139.11176	3.2
142.07835	2.0
143.08554	2.8
149.13271	6.4
151.07491	1.6
153.12845	2.4
156.09311	1.7
157.06488	4.1
157.10191	8.4
168.07376	2.1
171.11732	5.3
177.16405	100.0
178.16670	2.0
185.13264	2.7
195.13789	2.7
195.17474	15.9
196.52333	1.9
213.05417	2.7
213.09195	5.8
213.12648	5.0
213.14609	2.6
213.16405	9.5
213.18492	5.8
214.10684	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	213.164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.8
53.03941	0.7
55.05503	4.3
56.96556	1.3
57.07082	4.2
67.05502	1.9
69.07069	7.3
70.06598	1.1
71.04984	1.0
71.38620	0.9
72.08156	0.7
79.05499	5.1
81.07056	2.3
83.08601	2.2
88.07623	1.5
91.05489	6.9
93.07054	6.2
95.04973	1.1
95.08620	3.2
98.21096	0.7
103.05454	1.9
105.07040	48.3
107.08602	6.3
115.05447	1.4
117.07019	3.5
119.08591	40.4
121.10149	9.4
128.06226	11.1
129.07042	10.0
131.08543	3.3
133.10141	6.7
141.07010	3.5
141.09312	0.7
142.07793	16.8
143.08575	52.0
145.10156	5.9
155.08577	2.7
156.09366	14.2
157.10144	54.0
158.10854	2.0
159.11722	2.5
163.17979	0.6
165.07047	0.9
168.99977	0.6
169.10120	3.7
170.10890	4.0
171.11708	47.6
172.12245	0.9
183.11748	5.4
184.12463	2.7
185.10016	1.6
185.13290	6.8
195.11723	1.4
198.14079	5.2
199.14867	0.9
211.14810	1.0
213.12802	4.1
213.16405	100.0
214.10721	1.1
214.16728	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	213.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.7
57.07063	1.0
67.05499	0.5
69.07076	4.8
70.06586	0.8
71.30124	0.7
71.30451	0.5
79.05492	2.8
81.07066	3.6
83.08603	1.0
88.94324	0.5
91.05502	2.6
93.07039	3.1
95.08633	2.4
98.61002	0.5
105.07033	7.2
107.08582	3.3
109.90308	0.5
115.05454	1.7
117.07015	1.0
119.08601	6.9
121.10111	2.1
125.52785	0.5
128.06207	4.1
129.07004	7.4
131.08586	4.0
133.10129	2.5
141.06993	3.4
142.07780	15.7
143.08563	26.1
145.10127	5.7
155.08519	2.5
156.09355	15.0
157.10135	51.0
158.10947	2.7
159.11681	2.3
169.10168	3.9
170.10915	2.9
171.11697	58.6
172.12242	1.0
183.11716	5.0
184.12456	1.8
185.13290	5.0
198.14034	5.6
211.14777	0.7
213.16391	100.0
214.16765	1.9
231.08727	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55502	0.3
53.03945	0.5
53.70262	0.3
55.05512	2.8
56.35455	0.3
57.07076	0.8
59.71766	0.3
60.64624	0.3
64.12318	0.3
67.05502	1.0
67.43758	0.3
68.39890	0.3
69.07072	3.9
70.06595	0.4
72.08157	0.6
79.05488	2.1
81.07064	3.1
83.08624	1.5
88.07649	0.4
91.05479	3.1
93.07054	2.5
95.08609	2.2
98.21530	0.6
105.07043	6.1
107.08606	1.8
109.10129	0.5
115.05458	0.9
117.06990	1.8
119.08588	4.5
121.10151	1.2
128.06207	3.6
129.07018	6.9
130.07814	0.4
131.08578	5.8
133.10159	2.4
133.94960	0.3
137.02579	0.3
141.06972	2.3
142.07791	13.3
143.08572	24.8
144.09116	0.5
145.10133	6.0
155.08540	1.7
156.09361	8.6
157.10138	49.7
158.10925	2.0
159.11661	1.5
169.10138	3.6
170.10907	1.5
171.11697	40.3
172.12221	0.6
183.11710	3.0
184.12494	2.2
185.09843	0.4
185.13243	4.8
198.14035	2.5
211.14882	0.9
213.16394	100.0
214.16670	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	213.1488
Annotation	6-Hydroxy-7(9)-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
53.03929	4.5
55.01632	1.6
55.01873	19.7
55.05513	90.7
56.96547	2.3
57.03415	3.3
57.07070	6.2
57.90981	1.2
59.04981	3.5
63.21363	1.2
67.05143	1.4
67.05507	41.3
69.03433	12.3
69.07070	35.1
70.06593	16.1
71.04996	78.8
71.08587	1.4
71.32621	2.7
71.32951	1.2
72.08141	5.4
79.05495	38.7
81.03411	2.3
81.07058	53.0
83.04991	10.6
83.08622	54.5
84.08132	1.1
85.06551	12.1
85.10151	3.6
86.09714	6.0
87.04474	11.2
88.07623	1.3
91.05478	12.4
93.07047	43.8
94.06544	1.2
95.04937	3.5
95.08614	49.8
97.02913	1.3
97.06535	100.0
97.10174	70.9
98.06053	1.9
98.97572	7.8
99.04465	1.8
99.08095	16.8
101.06007	2.2
101.09653	2.2
105.07034	12.0
107.04921	3.2
107.08602	56.7
109.02849	1.3
109.06504	2.7
109.10160	26.4
110.07117	1.4
111.04403	3.2
111.08098	16.6
113.05965	4.2
113.09620	5.4
115.05450	1.7
116.07059	2.0
116.94531	1.2
116.98630	2.2
117.07014	7.3
119.08558	6.8
121.06487	2.7
121.10152	46.9
123.08039	2.7
123.11699	2.0
125.05991	3.1
125.09636	43.0
127.03948	1.3
128.06212	2.5
129.05489	1.9
129.06946	2.6
130.96312	1.7
131.08598	8.2
133.10139	8.2
135.08055	7.9
135.11700	33.0
137.13261	6.8
137.14253	1.1
139.07538	1.4
139.11139	1.2
141.07040	1.7
142.07753	4.3
143.08577	7.0
147.11691	2.4
148.97325	2.6
149.09616	3.3
149.13283	11.5
153.07039	1.2
153.09102	2.1
153.12766	12.5
155.08531	3.3
156.09238	1.9
157.10159	10.6
159.11707	6.2
165.06972	2.3
167.08641	2.0
167.14268	1.7
171.08147	1.4
171.11702	7.5
177.00655	2.3
177.12808	10.3
177.16397	53.8
177.36897	1.1
180.09448	1.3
183.11670	2.6
185.07082	2.0
185.09816	2.9
185.13199	2.5
188.05476	1.2
189.11275	7.1
189.97676	1.5
195.06451	2.0
195.11723	3.0
195.13818	42.0
195.17485	7.4
213.05420	2.8
213.09192	4.1
213.12668	8.4
213.14790	87.5
213.16328	6.0
213.18283	2.5
214.10622	2.2
214.15068	1.9
222.08383	1.3
231.06331	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	213.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.3
55.01868	4.0
55.05515	19.9
57.03419	6.6
57.07074	2.4
66.09725	1.7
66.54217	2.1
67.05510	49.9
68.99792	3.0
69.03416	5.9
69.07073	18.8
70.06586	3.0
71.04986	4.6
79.05142	2.2
79.05504	25.7
81.03426	11.6
81.06591	3.8
81.07063	68.3
83.04975	4.5
83.08624	17.5
85.02900	7.0
85.06538	4.5
88.07635	6.1
91.05495	19.8
93.06486	3.6
93.07053	41.8
95.04973	5.0
95.08623	16.2
97.02879	5.2
97.06532	9.3
99.04463	4.3
105.07027	11.8
107.08588	21.8
109.02909	12.2
109.06522	3.8
110.03657	2.4
111.08051	2.5
113.09650	2.6
116.29356	2.0
117.07015	9.5
119.08583	10.0
121.10177	10.9
123.11710	2.9
127.03934	29.5
128.06227	8.6
129.07030	13.3
131.08572	16.6
133.10149	10.8
135.11697	7.2
141.06999	4.7
142.07756	15.4
143.08572	23.7
145.10107	6.7
147.11693	2.3
149.13272	18.2
151.03889	2.3
155.08514	2.8
156.09337	11.7
157.10144	48.1
159.11668	12.4
169.10158	5.4
170.10876	3.9
171.11699	47.0
177.12730	5.3
183.11688	3.7
184.12511	2.6
185.09764	3.3
185.13229	6.5
185.40582	2.2
195.06653	2.6
195.11670	2.5
195.13823	2.5
198.14034	3.8
213.03937	5.2
213.09473	4.5
213.12769	13.3
213.16396	100.0
214.16876	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	213.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59422	1.5
53.03939	3.2
55.01870	2.9
55.05516	18.4
57.03443	5.0
57.07073	4.5
65.03912	1.7
67.05513	49.4
69.03434	3.4
69.07072	24.3
70.02864	1.4
70.06597	4.6
71.04980	6.2
79.05074	2.2
79.05499	30.3
80.97886	1.6
81.03418	2.3
81.07065	72.9
83.04976	5.8
83.08622	16.2
85.06541	4.1
86.24811	1.4
88.07636	2.5
91.05492	20.1
93.06484	3.0
93.07054	43.7
95.04979	2.8
95.08614	19.3
97.06555	9.4
97.10184	2.2
99.08109	3.3
105.07037	18.8
107.08604	21.3
109.06514	3.3
109.10186	3.4
111.08085	4.9
115.05418	3.2
117.07042	15.8
119.08575	11.7
121.10139	11.7
123.11740	4.3
128.06238	7.9
129.07051	10.8
131.08611	14.8
133.10153	13.0
135.08073	2.0
135.11711	11.5
141.06987	3.3
142.07777	16.1
143.08574	26.7
145.10158	18.3
147.11615	1.9
149.13297	19.7
155.08592	4.0
156.09364	11.3
157.10149	58.3
159.11728	13.8
169.10155	4.2
170.10887	2.8
171.11703	43.8
172.12537	1.8
172.14063	1.4
177.12741	5.5
183.11745	3.1
184.12442	4.1
185.07213	1.7
185.09985	4.4
185.13307	6.4
195.06593	2.0
195.13812	4.5
198.10326	2.2
198.14040	2.9
213.05499	2.3
213.09277	2.5
213.12823	7.6
213.16406	100.0
214.10753	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	213.1486
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03931	1.7
55.05515	20.1
57.03440	2.6
57.07077	10.8
59.87043	0.7
67.05517	5.3
69.03429	1.4
69.07064	4.9
70.57446	2.3
71.04990	1.3
79.05499	4.9
81.07059	6.3
83.04984	10.0
85.06545	5.8
88.07648	1.1
91.05489	4.8
93.07045	13.5
95.04958	1.2
95.08607	12.7
97.06524	7.9
99.68993	0.7
105.07042	5.4
107.04946	1.2
107.08604	18.9
109.06544	5.9
109.10153	2.2
111.04449	100.0
111.08088	3.1
113.06050	2.1
117.07034	2.5
119.08610	3.5
121.06515	3.4
121.10135	3.2
123.08071	1.8
125.06001	26.6
127.07577	3.0
128.06242	0.8
129.06976	0.8
129.59843	0.7
135.07043	0.7
135.08070	14.1
135.11691	20.9
137.13258	1.2
139.07527	4.7
142.07788	1.6
143.08594	2.5
145.10133	16.2
153.12762	5.0
156.09309	0.9
157.10117	3.6
163.11198	21.4
167.08826	1.0
170.10855	1.0
171.11714	3.0
181.12250	38.6
182.12511	1.1
185.09660	0.8
195.12038	0.9
195.13708	4.1
213.09270	0.9
213.12753	2.6
213.14668	1.4
213.16515	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	213.1487
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
53.03958	2.7
55.01873	15.7
55.05513	84.2
56.05853	1.0
56.68737	0.8
57.03449	2.2
57.07076	1.7
59.05009	2.9
65.23849	0.7
67.05509	30.8
69.03431	10.2
69.07072	16.7
70.06601	4.1
71.04996	74.8
73.02924	0.7
73.94302	0.7
77.43746	0.6
79.05494	20.7
81.03436	1.3
81.07060	32.9
83.04980	6.1
83.08624	51.2
85.06538	7.2
87.04481	9.8
88.07641	1.1
91.05480	7.4
92.80882	0.7
93.07045	19.7
95.04980	2.2
95.08614	11.1
97.06536	100.0
97.10172	70.6
98.06853	1.0
98.10557	0.7
99.08098	1.6
101.06020	1.7
101.09650	2.4
101.33966	0.7
105.07045	6.2
107.04914	0.8
107.08602	24.3
109.06514	2.3
109.09470	1.4
109.10171	17.0
111.08099	5.8
117.07030	5.5
119.08592	3.2
121.06499	1.9
121.10127	4.9
123.08091	1.4
123.11683	1.8
125.09637	40.7
127.07511	1.1
128.06171	1.5
129.07005	2.4
131.08606	5.6
133.10135	6.2
135.08076	8.3
135.11700	6.2
141.06984	1.1
142.07779	4.5
143.08577	6.9
143.10677	1.6
145.10114	1.4
147.11632	1.7
149.09601	1.8
149.13264	4.5
153.09064	2.1
155.08545	1.1
156.09346	3.8
157.10127	14.1
159.11700	6.6
165.06987	1.3
167.08659	0.8
167.14294	1.5
170.10861	2.4
171.08011	1.2
171.10289	1.4
171.11670	11.4
177.12727	6.4
180.09224	0.9
183.11702	1.1
185.09879	1.6
185.13164	1.7
189.11276	7.4
195.13809	40.6
198.13792	1.0
213.05339	1.1
213.12814	5.9
213.14766	92.4
213.16420	13.6
214.10608	1.1
214.15079	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	213.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55291	0.3
58.99868	1.1
63.66734	0.3
69.03425	0.9
69.32147	1.8
70.06596	2.1
70.99850	0.5
75.15004	0.3
77.34046	0.3
81.98447	0.3
82.01459	0.3
82.49563	0.2
82.55774	0.2
82.99841	8.5
84.08152	0.4
85.02899	1.0
86.09695	0.4
89.00917	0.3
93.79081	0.2
98.97569	0.3
101.00887	62.1
102.01016	1.1
111.00451	0.7
113.00865	1.5
115.02430	0.5
116.07070	0.3
119.01926	100.0
120.01979	1.5
121.02358	0.6
124.02459	0.5
125.00912	0.5
127.02428	0.7
131.01906	3.4
133.03491	0.9
137.02968	13.6
142.03511	1.1
143.01906	1.4
145.03470	4.5
161.02925	0.7
163.04527	1.9
167.01880	1.8
171.01286	0.5
185.02971	20.3
186.03099	0.8
187.04514	0.8
189.02460	0.5
195.01390	1.6
203.04031	6.8
203.05969	0.3
213.02448	27.6
214.02596	0.7
231.03511	21.3
232.03693	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0769
Annotation	2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridine-6-carboxylic acid
Peak:m/z	Relative Intensity
56.96548	0.8
61.88611	0.5
65.03007	0.5
67.05478	0.5
69.03434	7.7
69.07049	1.5
70.04571	2.6
70.06573	1.7
78.28836	0.5
82.01427	0.8
82.06566	0.9
82.99859	1.5
84.04499	0.9
84.08143	6.2
97.02908	0.6
98.06052	2.8
98.97587	0.9
100.02468	1.3
101.00871	6.0
110.06033	0.9
112.07612	60.6
113.07896	0.8
118.06528	0.6
119.01932	9.7
122.04538	1.5
122.36787	0.5
137.02968	1.3
140.05571	17.3
143.01878	1.2
145.03491	1.9
152.05571	1.9
158.06641	59.2
159.06792	1.8
163.04523	1.3
166.08659	1.1
168.05090	2.3
170.06641	14.4
170.08105	0.7
173.05215	0.6
176.07689	17.2
182.06631	1.0
184.09679	1.8
185.02937	2.2
185.05391	1.3
186.06137	1.5
188.07698	28.5
189.02382	0.9
189.07961	1.3
194.03040	0.7
194.06630	4.2
194.08197	0.8
200.07674	4.0
203.03926	1.1
211.31694	0.6
212.07684	100.0
213.02394	3.4
213.07878	3.7
230.08759	46.4
231.03494	1.5
231.08919	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	211.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39991	0.7
53.03934	2.4
55.01884	4.2
55.05509	20.5
57.03434	3.9
57.07080	4.7
59.05010	2.3
65.03945	1.2
67.05506	38.3
69.03431	9.5
69.06687	1.4
69.07068	23.2
70.71537	1.6
71.04996	7.2
71.08639	1.4
75.02693	0.7
79.05074	1.2
79.05495	12.0
81.03400	1.9
81.07058	46.3
82.07395	1.1
83.04982	16.7
83.08625	12.7
85.06551	6.6
91.05486	12.9
93.06486	1.2
93.07045	17.1
95.04964	5.8
95.06081	2.2
95.08607	56.5
96.06422	1.9
97.06542	7.0
97.10149	4.1
98.06075	1.2
99.04417	1.0
99.08101	5.2
105.07031	18.9
107.04946	1.3
107.07886	1.8
107.08595	30.5
108.05766	0.7
109.06520	14.8
109.10160	100.0
110.10467	1.4
111.08078	19.1
113.06001	0.8
113.09637	2.3
117.06971	1.0
119.08586	37.5
121.10146	22.8
121.52759	0.7
123.08077	26.2
123.11705	21.4
125.09666	5.0
127.11243	1.1
129.06970	1.7
131.08548	2.7
133.10130	33.4
135.11696	59.1
137.09621	43.0
137.10492	0.7
137.13248	1.3
138.10434	4.1
139.11153	3.2
142.07796	1.2
147.11691	15.6
149.09627	1.5
149.13252	10.4
150.84138	0.8
151.11194	9.3
151.14824	10.2
153.12784	1.9
153.88533	0.8
155.08557	2.4
157.10133	4.4
158.54778	0.8
163.11154	1.0
165.12769	6.0
165.16397	3.5
167.08604	1.2
169.10123	5.5
175.11212	2.7
175.14825	33.9
178.13406	0.9
181.10118	1.6
184.09680	1.1
193.12233	2.1
193.15897	21.1
194.13567	0.9
196.12404	1.1
205.13728	1.0
211.11360	1.1
211.14752	6.9
211.16875	8.3
219.82260	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
52.62125	0.9
53.03942	2.0
55.05511	12.0
57.07080	4.6
59.04998	3.4
62.12097	0.8
65.03918	1.0
67.05508	31.6
69.03442	10.0
69.07069	16.7
70.67960	2.4
71.04982	2.5
71.08633	1.1
72.25979	1.0
79.05495	5.2
81.07059	29.9
82.49648	0.9
83.04990	12.6
83.08623	8.9
85.06541	4.2
91.05475	5.2
93.07041	14.4
95.04968	2.7
95.08614	40.3
97.06524	1.9
97.10154	2.7
99.08106	3.2
105.07026	8.3
107.08598	27.3
109.06522	12.4
109.10161	100.0
110.10492	1.3
111.08074	4.3
113.09628	2.2
117.07018	1.4
119.08588	26.3
120.09398	1.3
121.10158	11.1
123.08064	16.1
123.11722	9.1
125.09624	1.1
127.11208	1.6
133.10135	20.7
133.11108	1.7
135.11699	72.8
137.09630	17.2
138.10416	0.9
139.11156	2.8
140.54105	0.9
147.11685	1.9
149.13312	5.9
151.11206	9.5
151.14833	10.6
153.12717	2.1
160.46968	1.0
162.29901	0.9
165.16386	2.9
168.61552	0.9
175.14830	19.1
177.85947	1.0
193.15865	16.1
208.16269	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1696
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03954	2.8
55.05513	19.7
57.03432	3.4
57.07073	5.4
59.05001	6.0
63.41681	1.4
65.03967	1.6
66.04724	1.3
67.05515	36.1
67.65719	1.2
69.03444	9.1
69.06725	2.2
69.07076	22.7
70.06612	1.8
70.54599	3.8
70.54923	1.5
70.97155	1.7
71.05002	24.6
79.05504	12.4
81.03426	5.5
81.07066	43.3
82.99900	1.5
83.04989	14.3
83.08625	13.2
84.08160	2.0
85.06532	7.4
91.05480	12.3
93.07061	24.2
95.04984	6.6
95.06104	4.9
95.08620	63.1
97.06539	10.3
97.10184	4.9
99.04456	4.9
99.08102	6.2
105.07048	12.9
107.08607	36.8
109.06551	12.8
109.10169	100.0
111.08096	6.4
113.09666	2.5
113.45962	1.5
115.07590	6.3
119.08588	33.8
121.10137	16.2
123.08089	15.4
123.11732	23.0
125.09663	3.5
129.07019	2.5
129.23155	1.5
131.08566	1.7
133.10146	27.2
135.11707	89.2
137.09625	20.2
138.09882	1.6
139.11183	1.8
141.12698	3.0
147.11713	5.5
149.13266	9.0
151.11147	9.7
151.14819	11.1
153.12755	8.8
155.08528	2.0
165.12839	1.8
165.16443	3.7
169.10143	6.2
175.11168	2.0
175.14845	30.2
176.15198	2.4
181.10103	1.6
183.11655	1.7
184.09857	1.4
193.15892	20.4
211.14835	7.9
211.16920	19.6
212.09256	2.2
232.53519	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	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03948	6.0
53.72792	1.3
55.01877	5.8
55.05517	44.5
56.96548	2.7
57.03444	8.6
57.07082	2.5
59.05006	1.9
62.95459	1.3
63.17570	1.1
65.03935	1.8
67.05509	35.3
69.03439	10.8
69.07070	16.3
70.06587	2.5
71.05000	21.3
71.23382	2.3
72.08133	2.1
73.06590	1.4
79.05494	41.3
81.03423	100.0
81.07059	46.6
82.03772	1.4
82.07373	1.4
83.04985	48.1
83.08150	2.5
83.08628	36.3
83.09126	2.1
84.08122	2.4
85.02888	1.9
85.06543	4.0
91.05489	38.9
93.07056	24.7
95.04978	33.3
95.06091	3.8
95.08624	21.8
96.06448	2.3
97.02910	4.2
97.06535	6.5
97.10183	6.8
98.06069	2.1
99.08119	3.9
103.05487	1.5
105.07040	36.4
107.04974	6.2
107.08601	36.7
109.06555	10.3
109.10174	12.8
111.04443	3.5
111.08068	11.0
113.06005	2.0
115.05424	2.6
117.06998	2.4
119.08580	26.7
121.06560	1.8
121.10157	9.7
123.04426	2.5
123.08073	6.7
123.11726	4.0
125.09646	5.4
128.06259	2.5
129.07002	10.8
131.08568	11.9
133.06465	4.5
133.10168	15.8
135.11713	11.7
135.12665	1.8
137.06046	2.1
137.09608	6.4
141.05429	1.6
141.06938	3.0
142.07768	2.9
143.08626	2.1
145.10210	2.1
147.08060	3.8
147.11700	16.3
149.09642	6.2
153.07059	2.8
154.07819	4.2
155.08575	8.8
156.09245	1.9
157.10126	17.8
164.12584	2.1
165.07048	1.4
165.12723	3.7
166.08722	3.1
167.07210	1.6
167.08553	6.3
168.09348	2.1
169.10143	27.1
170.10904	1.4
175.11223	17.5
175.14836	10.0
181.10117	9.7
182.10953	4.2
183.06488	1.5
183.11673	9.2
184.09700	4.4
193.05031	1.2
193.12245	34.9
193.15952	6.3
194.13672	1.7
196.12454	17.8
211.07547	1.9
211.11140	4.5
211.13235	11.4
211.14842	36.7
211.16599	3.8
212.09297	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	211.1331
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
51.33644	1.1
53.03928	1.2
55.01866	1.2
55.05515	11.1
56.96555	3.3
57.03436	2.5
57.07084	6.0
57.07341	0.9
59.04995	1.7
65.03938	1.4
67.05511	19.3
69.03428	1.6
69.07071	22.7
70.06610	1.6
71.04994	9.3
71.50161	1.6
79.05489	13.4
81.03408	5.8
81.07062	29.4
83.05004	8.3
83.08615	3.2
84.08145	1.4
85.02917	1.8
85.06548	7.8
89.97739	1.0
91.05486	31.6
93.07047	23.4
95.04977	15.9
95.06091	4.2
95.08598	9.4
96.06435	1.9
97.06549	3.7
98.97583	1.5
99.04450	2.3
105.07037	35.7
107.04957	1.6
107.08605	12.3
109.05799	2.4
109.06519	26.7
109.10172	13.0
111.08062	1.9
113.06002	1.2
117.07031	1.6
118.05199	1.1
119.08573	12.7
121.10162	4.5
123.04443	1.4
123.08063	4.4
123.11739	5.1
125.06011	1.7
127.07558	2.9
129.07033	2.1
131.08569	7.7
133.10144	100.0
135.08025	1.5
135.11722	2.8
137.05981	9.8
137.09630	2.4
141.05464	1.5
141.06984	3.0
147.11703	22.5
149.09636	3.1
151.07552	4.4
151.11195	55.5
152.07182	1.5
153.07047	2.0
154.07681	2.0
155.07047	17.4
155.08566	5.7
156.09395	1.5
157.10162	3.4
159.22589	1.2
164.12694	2.0
165.07031	2.2
165.12740	5.9
167.08578	3.3
168.09288	2.0
169.08763	2.4
169.10118	13.7
170.10849	1.2
175.11197	9.8
180.09344	2.6
181.10130	13.9
182.10951	2.6
183.06519	2.1
183.11743	6.2
184.09721	5.1
193.12259	23.1
193.15981	1.5
195.11674	2.7
196.12508	24.5
199.02483	1.2
205.98929	1.2
211.07672	1.4
211.11253	2.0
211.13235	14.0
211.14861	38.7
212.09169	1.7
229.07489	2.7
230.28357	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	211.1117
Annotation	Lactaroviolin
Peak:m/z	Relative Intensity
55.01861	1.4
55.05502	1.1
56.96564	1.4
57.03436	0.4
57.07071	1.1
67.05498	1.3
69.03423	1.7
69.07064	0.9
70.07021	0.9
70.07419	0.9
70.18372	0.3
79.05483	0.9
81.03421	1.0
81.07052	1.0
83.04971	0.9
83.08620	0.5
85.02946	0.4
91.05479	1.1
93.07039	0.8
95.04970	0.7
95.06107	0.7
95.08627	0.7
96.06490	0.3
105.07033	1.3
107.08635	0.8
109.10145	0.9
115.05416	0.4
115.43514	0.3
119.08547	0.8
128.06244	1.7
129.06975	0.7
133.10098	0.8
135.11691	0.4
137.09607	0.5
140.07100	0.5
141.05524	0.4
141.06978	2.7
142.07765	2.6
143.08577	5.5
151.11172	0.4
152.06186	0.5
153.07001	4.7
154.07738	0.8
155.08559	11.6
157.06459	0.6
163.97783	0.5
164.12643	0.5
165.07013	1.7
166.07689	0.6
167.07245	0.6
167.08565	4.8
168.09351	11.3
169.06488	1.2
169.10136	5.4
170.10912	0.5
171.08028	1.1
178.07785	8.8
179.08514	1.1
181.06494	16.8
181.10112	5.5
182.07239	1.7
182.10843	0.8
183.08221	1.9
183.11708	22.3
184.05397	0.4
184.09731	2.1
184.11855	0.4
193.10143	27.9
194.10654	0.6
195.08040	4.6
196.08839	39.0
196.12524	3.3
197.09247	1.0
209.09521	0.5
210.10176	0.4
211.11189	100.0
211.14763	8.2
212.09193	1.6
212.11530	2.8
227.32803	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.9409
Annotation	Unknow
Peak:m/z	Relative Intensity
64.42071	36.9
71.49354	51.1
90.11122	33.6
102.62985	42.4
120.62173	36.0
123.45187	36.6
136.61618	36.6
156.58997	39.5
210.94069	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.9407
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06596	85.5
71.21951	42.1
94.93044	54.4
120.94558	35.0
140.87416	22.9
183.06961	22.0
188.05962	25.7
210.94044	100.0
231.39980	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1604
Annotation	Dimethirimol
Peak:m/z	Relative Intensity
68.05032	2.6
69.56862	0.8
69.57281	0.6
71.08633	4.4
78.89207	0.2
79.21680	0.2
83.06113	3.1
89.36222	0.2
95.06094	100.0
96.06445	0.9
98.20854	0.4
99.08109	1.6
109.34789	0.3
112.08732	45.7
113.09081	0.2
113.68301	0.2
189.83725	0.2
191.71744	0.2
192.14963	6.1
197.99080	0.2
210.16023	25.2
211.16342	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.0076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.4
56.05024	1.6
56.96569	100.0
60.05633	0.9
64.98645	0.8
65.62948	0.8
67.05503	1.6
68.05022	2.6
69.03421	1.2
69.07072	1.9
69.44934	0.8
70.06604	5.2
70.98110	1.1
71.05033	0.8
71.48709	0.9
71.95258	2.9
72.08151	2.2
74.06072	0.9
79.05486	3.3
81.03408	1.4
81.07061	9.6
82.06586	1.7
83.06113	6.3
83.06523	1.0
84.04507	1.5
84.08152	6.3
86.09702	2.4
89.47715	0.8
91.05504	1.6
93.07029	1.1
94.06564	1.2
95.06097	48.1
103.05448	2.3
104.07011	0.8
105.07001	0.8
107.06061	1.5
109.06457	0.9
112.07586	1.0
112.08730	6.7
113.92709	0.7
118.06578	1.0
119.01972	0.9
120.08112	2.7
121.04869	1.4
121.06512	8.2
122.05939	0.8
122.97568	11.3
124.07607	1.0
124.99107	1.7
127.96479	1.0
129.10248	2.7
136.07584	1.6
140.98604	17.8
143.00189	5.2
146.09622	1.0
150.09128	1.2
150.97005	1.7
151.12312	1.7
158.99673	12.7
161.01222	7.7
163.12315	20.3
164.07095	1.6
164.10716	13.3
168.98090	13.1
171.53993	1.0
177.00735	2.8
179.02222	1.4
181.13409	3.0
181.68211	0.8
186.99155	81.5
192.06589	1.3
192.08797	2.0
193.13365	19.6
193.16989	6.0
201.99242	0.9
203.85248	0.8
205.00212	71.8
210.00862	1.6
210.07600	3.0
210.11382	6.4
210.16023	27.9
210.19461	1.8
223.01253	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1539
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03953	2.7
54.46808	2.6
55.01867	8.9
55.05276	3.0
55.05517	42.1
57.03425	5.9
57.07065	7.5
59.04993	5.1
65.03919	2.9
67.05504	19.9
69.03414	12.9
69.07067	22.0
70.06583	4.4
70.43990	10.5
71.05011	21.6
72.08174	3.6
79.05497	24.5
81.03426	3.2
81.07064	34.8
83.01344	6.5
83.04987	82.1
83.08630	24.1
85.06517	9.8
86.09692	3.6
91.05505	19.8
93.07048	39.4
95.04973	36.9
95.06095	16.7
95.08628	19.0
97.06545	23.6
97.10168	8.9
98.97591	7.2
99.04472	35.2
99.08080	5.8
103.05478	4.6
105.07027	25.8
107.04943	7.0
107.08614	54.1
108.13420	2.8
109.06525	100.0
109.10174	22.8
110.07141	4.7
111.04462	5.9
111.08089	20.0
112.08717	6.5
113.06056	2.8
117.06997	5.6
119.08585	9.7
120.08098	7.0
121.06530	12.2
121.10147	44.2
123.08077	17.1
123.11694	6.1
125.09612	26.6
131.08594	30.0
133.10149	32.2
135.08067	25.7
135.11679	9.7
137.06113	3.0
139.07536	6.7
139.11143	4.1
145.10173	14.3
147.04469	4.2
149.09625	45.3
149.13258	21.5
151.11186	32.3
153.09100	37.9
163.11224	7.2
163.14803	12.7
165.12772	3.4
167.14334	24.4
169.36465	2.7
173.13297	16.5
191.10657	9.1
191.14330	30.8
209.08118	3.6
209.11537	5.5
209.13179	7.0
209.15367	64.8
209.17386	3.8
210.16008	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	209.1539
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03952	1.9
55.01881	2.0
55.05514	5.9
57.03426	1.3
57.07087	2.5
59.05014	1.5
65.03958	0.6
65.36461	0.5
67.05511	6.8
69.03435	13.8
69.07073	7.0
69.07422	0.7
69.62699	3.0
70.06601	1.5
71.05000	3.7
79.05496	8.3
81.03426	11.6
81.07061	16.2
83.04985	8.3
83.08621	3.0
84.04567	0.5
84.08136	1.6
84.36414	0.5
85.06551	1.6
91.05484	5.8
92.06952	0.5
93.07047	11.4
95.04976	14.2
95.06087	1.9
95.08612	15.3
97.06532	4.3
97.10173	0.7
99.04454	2.8
99.08103	2.2
103.05499	0.7
105.07033	8.6
106.04179	0.6
106.60423	0.5
107.04997	2.3
107.08598	17.1
109.06523	19.6
109.10168	3.7
110.07229	0.7
111.04490	0.6
111.08086	2.9
117.07025	1.8
119.06056	0.6
119.08589	8.5
121.06515	4.5
121.10150	19.5
123.08071	13.7
123.11722	9.2
125.06029	0.9
125.09638	1.8
131.08557	3.8
133.10144	4.9
134.13838	0.5
135.08054	5.4
135.11690	3.5
137.09642	4.9
137.13272	1.7
139.11223	0.7
143.08548	0.7
145.02875	0.5
145.10101	3.1
147.11703	5.2
149.06007	1.8
149.09630	12.3
149.13260	9.7
151.11198	9.3
153.09117	3.6
158.10970	1.2
163.11171	2.0
163.12370	1.2
163.14815	3.2
165.12761	100.0
166.13071	1.7
167.08543	0.7
167.10736	0.5
167.14331	1.8
173.13275	4.7
177.05511	1.2
191.10612	0.9
191.14333	8.1
193.13316	0.9
194.10924	0.6
209.04512	1.1
209.07988	0.7
209.09875	0.8
209.15366	42.8
210.16005	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03944	2.6
55.01865	7.0
55.05519	32.5
57.03440	4.7
57.07075	5.3
58.31810	1.8
59.04993	5.5
67.05515	13.3
69.03419	5.6
69.06803	1.6
69.07076	21.2
70.06771	6.6
71.05003	12.3
77.25696	1.8
79.05497	16.0
81.03401	4.2
81.07069	26.2
83.01347	47.6
83.04984	23.3
83.08609	11.7
85.06536	7.3
91.05478	15.5
93.07043	24.0
95.04961	6.8
95.08620	19.5
97.06538	31.8
97.10165	4.6
98.21429	2.5
99.04462	8.1
99.08102	33.9
101.06015	7.7
103.05389	2.3
105.07040	16.1
107.04992	3.8
107.08603	51.1
109.06543	14.6
109.10170	19.6
111.08078	21.0
117.07034	2.6
119.08569	9.7
121.06496	8.7
121.09334	2.7
121.10155	33.7
123.08102	13.6
123.11718	9.0
125.06012	4.2
125.09641	30.1
131.08571	10.6
133.10146	26.7
135.08066	18.3
135.11688	8.0
137.09665	10.0
139.07553	31.2
139.11214	12.3
145.10181	4.6
147.11717	5.5
149.09639	49.6
149.13264	16.9
151.11186	28.9
153.09087	22.0
154.09935	3.5
163.11182	4.0
163.14830	13.3
165.12747	2.9
167.10658	4.8
167.14389	2.3
173.13275	17.2
181.15833	13.0
191.14325	33.1
209.15378	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03955	0.6
55.01874	1.2
55.05515	1.6
57.01674	0.4
57.07084	4.4
65.03938	0.6
67.05519	3.5
69.03438	0.8
69.07065	1.9
71.04459	0.4
71.04982	2.1
72.47382	0.4
79.05499	4.1
79.22141	0.4
81.07066	6.2
83.04980	1.3
83.08649	0.7
85.06528	0.8
85.59371	0.5
91.05492	3.2
93.07043	4.1
95.04991	3.3
95.06108	0.9
95.08616	4.8
97.06531	1.4
99.08081	0.5
103.05486	0.7
105.07052	3.1
107.04966	0.6
107.08607	6.2
109.06529	100.0
109.10165	5.8
110.06859	0.8
111.04423	0.6
111.08045	1.0
117.06983	0.8
119.08603	1.0
120.12394	0.4
121.06527	1.3
121.10153	3.9
123.08076	9.6
123.11757	0.6
125.09599	0.5
129.07014	0.7
131.08594	4.2
131.99858	0.4
133.06454	0.4
133.10133	3.2
135.08066	19.9
135.11700	0.6
136.25897	0.4
145.10143	1.0
147.08125	0.5
147.11710	1.8
149.06006	1.0
149.09612	3.0
149.13278	3.1
150.10428	1.4
151.11206	4.2
153.09128	4.2
158.10951	1.0
161.09615	0.6
163.14899	0.7
164.10107	0.4
165.12758	0.8
167.14311	0.5
173.13292	4.1
179.08650	0.9
183.96367	0.4
191.06911	0.4
191.14322	19.9
192.14728	0.5
192.28140	0.4
209.09938	0.5
209.11626	0.6
209.13327	1.5
209.15337	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	209.1539
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03943	7.0
55.01884	9.7
55.05312	1.8
55.05518	21.5
57.03440	4.1
57.07071	5.2
58.26057	1.7
59.04994	2.5
67.05242	2.0
67.05515	21.6
68.62461	2.3
68.99791	2.1
69.03432	10.4
69.07071	15.6
70.06570	2.3
70.62369	5.9
71.04997	9.0
79.05496	20.2
81.03419	14.5
81.07060	27.6
83.04986	22.9
83.08617	9.6
85.06544	4.6
91.05486	20.0
93.07049	31.5
95.04970	12.3
95.08062	2.9
95.08620	29.4
97.02872	2.1
97.06538	10.8
97.10156	2.1
99.04466	8.2
99.08099	18.4
103.05500	2.7
105.04475	1.8
105.07030	21.4
107.04972	8.8
107.08605	40.6
109.06528	18.5
109.10159	9.4
111.04453	5.3
111.08073	9.1
117.07014	3.9
119.08593	13.4
121.06542	9.0
121.10159	40.9
123.08082	7.4
123.11758	8.5
125.05994	9.9
125.09647	11.4
131.08556	11.1
133.10120	17.7
135.08096	10.4
135.11659	10.1
137.09610	5.9
137.13237	3.4
139.07562	11.6
145.06526	2.5
145.10144	10.0
147.11726	9.8
149.05991	3.6
149.09631	86.4
149.13264	6.6
151.11201	33.3
153.09145	14.5
153.12782	1.9
154.09845	3.0
162.43973	2.1
163.11157	8.2
163.14774	9.0
165.12769	100.0
167.14349	6.9
173.09625	3.0
173.13275	7.0
174.33327	1.8
177.05533	2.1
189.35028	2.0
191.06992	2.3
191.10666	3.9
191.14333	20.6
209.09821	4.0
209.11789	6.1
209.13490	3.7
209.15388	54.9
209.17390	3.0
210.16051	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	209.1537
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
51.49463	2.4
55.05515	78.7
57.03421	3.1
57.07081	4.5
59.04987	3.7
61.12656	2.3
65.03956	2.1
67.05491	10.2
69.03428	10.4
69.07076	6.0
70.43588	7.9
71.04973	3.7
79.05486	8.2
81.02171	2.8
81.07057	18.0
83.04490	5.1
83.04988	100.0
83.08624	42.9
85.06518	2.8
86.28165	2.4
87.94798	2.2
91.05469	4.5
93.07033	11.1
95.04979	15.8
95.06066	2.7
95.08601	11.1
97.06531	14.8
97.10175	8.5
99.08055	2.6
105.07055	5.0
107.08608	25.3
109.06525	36.0
109.10162	23.7
111.08093	16.2
113.09601	4.1
121.10139	23.2
123.08076	3.0
123.11719	17.3
125.09637	18.6
131.08543	3.9
133.10196	11.9
135.08040	4.0
145.10124	2.9
149.09650	6.6
149.13275	10.4
151.11206	42.0
153.09132	8.4
163.14853	3.7
165.99074	2.4
167.14334	74.7
168.14592	2.7
173.13249	6.2
178.74106	2.3
191.14307	7.3
209.15390	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	209.154
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03950	1.7
53.59729	0.9
55.01868	3.3
55.05516	10.4
57.03449	0.9
57.07072	2.1
59.05008	1.6
62.66533	0.8
65.03941	1.8
66.29277	0.8
67.05505	9.3
69.03444	8.7
69.07066	6.3
69.43607	5.8
70.06597	2.2
71.05002	2.9
78.59673	0.7
79.05497	11.8
80.33304	0.7
81.03432	1.2
81.07060	23.7
83.04987	7.6
83.08614	4.3
84.08141	0.9
85.06541	1.0
91.04922	0.8
91.05489	15.7
92.63131	0.8
93.07059	12.3
95.04984	11.3
95.06075	2.6
95.08609	7.7
97.06533	3.2
98.20823	1.5
99.04466	3.8
103.05490	1.5
105.07043	12.8
107.04961	2.4
107.08603	39.5
109.06522	14.3
109.10164	12.5
111.04450	2.0
111.08103	1.8
112.08738	0.9
115.05483	4.6
117.07021	7.0
119.06050	1.9
119.08578	6.3
121.06486	3.6
121.10152	25.4
122.07310	6.7
123.08106	4.1
123.11721	1.3
123.36371	0.8
125.06042	1.0
125.09641	2.8
129.06993	1.1
131.08560	5.6
133.10141	100.0
134.10524	1.0
135.08064	22.0
135.11710	4.2
137.09625	77.0
139.07553	1.5
145.10144	4.9
147.11736	2.2
149.06006	2.8
149.09618	6.0
149.13269	18.6
151.11220	6.3
152.53699	0.9
153.09105	3.3
158.10905	1.4
163.11189	4.2
163.12427	1.2
163.14809	3.5
165.09062	1.3
165.12779	1.1
167.14368	2.7
173.13297	9.0
177.05569	2.0
179.08508	1.2
191.10660	9.2
191.12236	1.0
191.12801	1.1
191.14273	7.9
193.13319	1.1
209.08047	1.7
209.09798	1.4
209.11668	14.6
209.13324	2.1
209.15213	7.9
210.16052	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1539
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03949	11.3
55.01869	15.1
55.05516	66.5
57.03429	4.8
57.07071	5.2
57.28170	2.4
59.05013	12.1
65.03942	3.8
67.05186	3.0
67.05515	46.1
69.03433	14.9
69.07073	22.3
69.84435	11.4
70.06585	6.4
71.05003	50.4
72.08136	2.8
79.05499	64.7
81.03416	18.3
81.07066	50.7
83.04491	4.8
83.04984	94.1
83.08617	28.5
84.08153	3.9
85.02905	2.9
85.06530	10.0
85.46977	2.3
91.05482	39.4
93.07053	82.7
95.04394	2.3
95.04990	36.9
95.06095	3.8
95.08614	19.2
97.02918	2.9
97.06532	20.4
97.10152	5.0
99.03852	4.5
99.04465	65.9
99.08074	6.2
103.05446	5.0
105.07038	39.5
106.04140	2.6
107.04975	33.3
107.08606	75.1
109.06522	37.6
109.10158	21.3
110.09702	3.8
111.04472	11.2
111.05141	2.3
111.08079	28.3
116.06254	3.3
117.07036	15.9
117.07727	2.2
119.08607	14.7
121.06514	28.0
121.10155	54.3
123.04487	4.5
123.08076	8.1
123.11731	15.7
125.05997	13.2
125.09623	16.8
129.06978	9.0
129.07838	2.1
130.07782	4.4
131.08580	100.0
133.10146	28.3
135.08092	14.7
135.11725	14.4
137.10486	2.2
139.07489	2.9
139.11108	2.9
141.05396	2.7
143.08636	3.9
145.06506	4.5
145.10138	51.2
147.08038	9.8
147.11700	6.2
149.05998	8.8
149.09636	86.7
149.13226	13.5
151.11201	48.1
153.05466	9.4
153.09113	36.5
153.12616	2.5
155.08537	3.8
163.07527	4.4
163.11179	34.8
163.12386	3.9
163.14793	7.0
165.09132	14.0
165.12724	3.4
167.07042	3.1
167.10675	7.2
167.13023	4.0
167.14334	53.0
173.09674	11.2
173.13289	16.0
191.10680	47.3
191.14302	15.8
198.41904	2.4
209.08047	2.4
209.11748	66.4
209.15315	34.5
210.11905	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	209.1539
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03954	2.9
53.75277	1.5
53.76343	1.2
55.01866	2.8
55.05513	51.1
57.03431	3.3
57.07079	2.6
59.04987	3.1
65.03937	1.6
67.05508	8.5
69.03423	4.3
69.07076	11.2
69.47752	9.8
70.06590	5.9
71.04983	7.1
72.08167	2.5
72.58070	1.4
73.38763	1.4
79.05496	13.3
81.07059	12.8
81.18754	1.6
83.04985	63.6
83.08620	26.4
84.08137	5.6
85.06535	4.2
86.09704	3.6
91.05476	8.8
93.07043	36.1
94.06606	1.3
95.04372	2.4
95.04973	36.6
95.06026	3.4
95.08615	8.9
97.06545	7.5
97.10165	5.8
99.04462	7.7
105.07045	10.8
107.04950	3.0
107.08604	32.8
109.06520	17.4
109.10171	14.9
111.04437	2.1
111.05565	1.7
111.08105	6.4
113.09628	2.1
117.07057	1.4
119.08580	3.8
121.06505	5.0
121.10151	100.0
123.08097	3.0
123.11709	8.9
125.09641	8.3
131.08582	8.5
133.07486	1.4
133.10126	8.1
135.08028	3.5
135.11708	6.3
137.09612	1.9
145.10121	4.7
147.11629	2.0
147.18266	1.3
149.05943	3.0
149.09592	8.7
149.13254	5.5
151.11198	25.6
153.09119	11.0
156.69212	1.4
163.11172	3.2
163.14819	19.0
167.06998	2.0
167.14320	40.5
173.13284	3.9
177.05489	3.0
191.10684	3.5
191.14355	10.7
193.13373	1.4
209.04480	3.9
209.09966	1.4
209.11848	3.8
209.15381	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03946	1.8
55.01880	5.8
55.05515	29.9
57.03438	1.6
57.07077	4.2
59.04986	1.0
65.03940	0.6
67.05512	17.5
69.03443	1.6
69.07071	5.3
71.04995	1.6
71.34380	0.5
71.50997	0.7
79.05499	14.9
81.03424	1.0
81.07060	20.8
83.04987	100.0
83.08618	4.4
85.06551	1.9
91.05496	6.7
93.07053	26.0
95.04986	2.9
95.06100	1.0
95.08614	19.1
97.06565	2.6
97.10155	1.5
99.08102	1.1
103.05458	0.8
105.07040	3.5
107.04960	0.9
107.08601	19.9
107.68990	0.6
109.06528	4.1
109.10173	5.9
111.04465	1.3
111.08093	7.5
113.06008	0.7
113.09633	0.6
117.07026	2.5
117.79549	0.6
117.95994	1.7
119.08557	1.8
121.06503	2.5
121.10155	10.7
123.08099	0.8
123.11710	2.1
125.09614	2.6
131.08572	4.2
133.10136	2.0
135.08087	5.4
135.11687	2.3
137.09602	0.6
139.07533	0.8
145.10117	1.8
147.11678	2.2
149.09586	2.1
149.13274	10.8
151.11189	1.0
153.05464	0.6
153.07089	0.8
153.09132	3.0
163.07520	0.6
163.11156	1.5
163.14835	8.5
165.07022	0.9
165.12689	2.1
166.07677	0.7
167.14311	1.1
173.13246	3.3
177.05463	0.9
179.08517	2.9
181.10077	1.7
181.15872	1.3
191.14314	5.5
194.10898	2.3
209.04396	1.0
209.09534	1.8
209.11508	1.2
209.11911	0.8
209.13271	4.7
209.15352	30.8
210.15955	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1174
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
50.77142	0.9
53.03936	3.6
55.01644	1.0
55.01874	7.9
55.05510	7.1
55.79095	0.9
57.03429	2.4
57.07067	1.0
65.03939	2.1
67.05510	15.8
69.03418	3.0
69.07075	10.6
70.06580	4.1
70.78226	2.8
71.04996	17.7
72.08158	1.0
77.03942	1.7
78.18078	1.0
79.05496	41.5
81.03402	4.1
81.07059	9.6
83.04981	13.2
84.08163	1.4
85.06550	5.0
86.09699	1.8
87.04507	1.2
91.04907	1.3
91.05484	24.7
93.06486	1.8
93.07053	32.8
95.04374	1.8
95.04978	30.8
95.06087	21.1
95.08595	3.6
97.02907	0.9
97.06528	8.3
99.04458	4.4
99.08084	1.2
103.05453	1.5
105.04548	1.1
105.07040	23.7
107.04961	28.8
107.08592	43.8
109.02881	1.4
109.06522	9.8
109.10149	1.1
110.07153	1.5
111.04433	6.5
112.08743	11.9
113.05997	1.1
115.05433	1.3
116.06251	2.5
117.07030	8.3
119.08586	14.3
121.06516	24.1
121.10149	25.4
123.04424	3.6
123.08084	4.0
125.06002	10.9
125.09608	1.4
127.07582	1.0
129.07010	6.7
130.07817	2.4
131.04901	1.0
131.08568	70.2
133.06474	2.4
133.10120	3.4
135.04428	1.7
135.08029	4.2
135.11681	8.3
137.05963	2.5
137.09573	1.7
139.07541	2.5
141.05453	1.4
143.08531	1.3
145.06485	3.0
145.10129	40.3
147.08047	8.6
147.11722	2.0
149.06071	4.6
149.09624	100.0
150.10011	1.0
151.11162	1.9
153.05496	6.2
153.09138	6.1
155.07187	0.9
155.08522	2.3
163.07556	5.3
163.09859	2.2
163.11182	33.2
163.12546	1.7
165.09126	18.5
167.07068	3.1
167.10684	10.9
167.14276	2.6
173.09619	8.0
173.13159	1.7
177.05484	1.2
187.30891	1.0
191.10686	53.5
191.14313	3.3
193.13454	1.0
204.01736	0.9
209.11729	62.1
209.15366	6.6
210.11684	1.0
210.16025	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	209.1173
Annotation	Coronafacic acid
Peak:m/z	Relative Intensity
53.03941	4.9
55.01876	49.2
55.05276	2.2
55.05516	31.9
56.59803	1.2
57.03423	3.9
57.07062	4.9
57.26529	1.1
59.04989	5.1
65.03930	5.0
66.54346	1.4
67.05508	52.0
69.03431	6.4
69.07073	20.2
70.06586	2.6
70.24496	2.3
70.24852	3.9
71.05000	9.9
73.02925	1.6
79.05496	42.9
80.99931	1.4
81.03418	9.3
81.07063	58.3
83.04987	100.0
83.08631	15.8
85.02907	3.2
85.06535	5.1
86.09704	1.6
91.05486	28.2
93.03407	2.2
93.07049	59.5
95.04974	62.8
95.06062	4.6
95.08610	27.2
97.02885	2.3
97.06538	25.0
97.10149	2.4
99.04466	20.0
99.08118	7.2
101.02376	3.5
103.05470	4.3
105.04517	1.7
105.07033	13.6
106.04150	3.4
107.04418	1.2
107.04973	13.3
107.07880	2.3
107.08601	41.3
109.05807	1.8
109.06522	24.6
109.10163	13.3
111.04451	98.8
111.08080	38.1
113.06008	2.9
115.05477	1.5
117.07027	11.2
119.04973	1.6
119.06053	1.2
119.08607	17.6
121.06503	16.2
121.10158	24.8
123.08054	4.9
123.11694	3.9
125.05998	20.5
125.09621	5.0
129.05527	7.0
129.07042	7.6
130.07797	2.5
131.08575	19.9
133.10133	5.6
135.08060	22.8
135.10727	1.7
135.11697	31.0
137.05931	1.9
137.09628	2.4
139.07544	11.3
145.02748	1.8
145.06490	2.6
145.10130	31.8
147.08067	2.4
147.11681	10.1
149.06001	7.2
149.09634	30.3
149.13249	5.6
151.11192	5.7
153.05447	1.6
153.06941	1.5
153.09103	5.3
153.12755	38.6
155.08545	5.0
163.07527	2.8
163.11183	43.6
163.14799	3.3
165.06975	1.2
165.12759	77.8
167.08522	2.1
167.14359	2.9
173.09639	15.0
173.13261	3.9
177.05444	4.2
179.08537	3.5
181.10095	1.0
181.10692	1.9
181.12213	19.1
191.07039	2.1
191.10683	55.9
191.14334	9.7
193.13380	1.3
194.11043	2.1
195.54379	1.1
209.04422	4.3
209.06305	1.7
209.07953	2.7
209.11710	53.4
209.13191	3.9
209.15260	27.2
210.16022	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	209.1176
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03714	5.0
53.03952	64.4
55.01885	25.4
55.05510	20.5
55.59186	3.4
60.28677	3.7
62.21242	3.3
62.52882	3.6
65.03948	6.3
67.05512	95.4
68.99821	5.3
69.03430	7.3
69.07072	18.3
70.04680	11.0
70.05087	8.1
71.05007	6.8
79.05500	89.6
81.02997	6.0
81.03427	87.1
81.04156	3.6
81.06598	5.0
81.07066	100.0
83.04981	42.1
83.08614	10.1
85.06540	6.8
91.05496	53.5
93.07049	71.0
95.04976	38.1
95.08607	35.3
97.06535	17.5
99.04465	13.7
105.07060	18.5
107.04970	68.9
107.08582	37.4
109.06488	14.3
109.10130	6.3
111.04448	30.0
111.08072	6.7
117.07023	33.7
119.08593	18.1
121.06530	17.2
121.10154	43.9
123.08025	4.5
125.05978	16.5
129.07021	12.8
130.07794	4.4
131.04950	8.9
131.08586	25.4
133.10133	4.3
135.04420	3.6
135.08070	7.7
135.11707	45.6
145.06487	13.5
145.10155	62.7
149.05981	4.4
149.09639	78.8
151.11208	4.6
153.12753	10.8
155.08568	17.6
163.11189	48.0
165.12834	4.2
173.09648	35.1
181.12242	6.7
191.10684	41.3
209.11734	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1175
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03934	2.8
55.01475	1.0
55.01874	7.3
55.05517	9.6
57.03440	2.8
57.29729	1.0
59.05012	0.9
65.03922	2.4
67.05186	1.4
67.05510	20.8
68.05039	1.4
69.03421	2.9
69.07079	13.7
70.06595	6.3
70.82884	2.7
71.04660	1.5
71.05002	19.1
71.08634	1.8
77.03925	2.6
79.05501	51.6
81.03402	3.4
81.07070	14.0
83.04988	13.7
83.06078	1.3
83.08626	1.8
84.08140	2.3
85.02898	1.2
85.06540	4.7
86.09718	2.5
87.04491	1.3
91.05492	26.8
93.07053	41.7
95.04984	35.0
95.06095	30.0
95.08607	4.3
97.06546	10.0
99.04478	6.5
99.08054	2.4
103.05479	2.0
105.07034	23.2
107.04973	29.4
107.08606	45.7
109.02848	1.6
109.06524	10.0
110.07174	2.9
111.04443	6.3
111.08068	2.0
112.08724	12.6
113.06008	1.2
115.05492	1.1
116.06242	2.0
117.07020	9.5
119.08593	16.9
120.08139	1.7
121.06519	24.9
121.09340	2.0
121.10157	32.0
123.04441	4.0
123.08069	3.9
123.11730	1.8
125.05997	12.4
125.09623	2.3
129.07011	6.8
130.07761	1.9
131.08582	78.3
132.08922	1.4
133.10146	3.3
135.04420	2.0
135.08110	5.7
135.11708	9.7
135.89464	1.1
137.05968	1.9
137.09601	2.2
139.07530	3.5
141.05461	1.5
143.07190	1.0
143.08514	1.8
145.06415	2.3
145.10133	46.5
146.10576	1.4
147.08063	8.7
147.11633	1.6
149.06026	6.0
149.09633	100.0
150.10074	1.8
151.07492	1.9
151.11119	1.8
153.05452	8.2
153.09097	5.6
155.07108	1.3
155.08556	2.3
163.07556	7.8
163.11192	36.5
163.12543	2.0
165.09129	17.3
165.12758	1.2
167.07039	3.3
167.10684	12.8
167.14317	2.5
173.09633	10.0
173.13307	2.9
177.05466	1.7
179.10643	1.1
191.10695	64.7
191.14293	6.1
192.11026	1.0
192.15100	1.5
209.04391	1.3
209.11746	69.5
209.15022	7.4
210.15968	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	209.1175
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03956	10.8
55.01878	11.5
55.05519	15.2
57.03425	3.3
57.07081	10.7
60.63919	1.1
65.03941	2.1
67.05512	35.1
68.99776	2.0
69.03410	2.9
69.07073	10.5
70.06603	2.4
71.01363	1.2
71.05003	5.2
71.50219	1.2
79.05501	33.8
81.03007	1.6
81.03431	24.5
81.07066	36.2
83.04988	21.6
83.08631	7.3
83.94497	1.0
84.04519	1.2
84.08158	1.2
85.02882	1.1
85.06521	3.0
91.05492	17.8
93.07058	36.2
95.04462	1.3
95.04979	16.4
95.06051	3.7
95.08614	22.8
96.30527	1.0
97.02885	3.5
97.06538	10.2
97.10152	1.0
99.04467	6.4
103.05451	2.8
105.04505	1.7
105.07037	11.0
107.04972	15.9
107.08608	22.9
109.02820	1.5
109.05824	1.3
109.06534	20.4
109.10211	4.7
110.07201	1.1
111.04449	10.7
111.08084	5.1
113.06017	1.1
117.07031	10.8
117.95982	2.6
119.08582	8.3
121.06518	7.5
121.10159	17.1
123.08038	3.9
123.11737	1.3
125.06005	2.9
125.09625	3.4
129.06975	2.8
130.07771	2.4
131.04939	2.4
131.08603	6.9
133.10117	3.6
135.08063	9.6
135.11714	18.4
137.05966	1.9
137.09547	1.1
139.35184	1.0
141.94411	0.9
143.08514	1.3
145.01016	1.2
145.06500	5.4
145.10127	20.4
147.08005	1.3
147.11668	1.6
149.05952	2.7
149.09645	14.6
149.13258	2.0
151.07550	6.0
151.11169	4.1
153.05455	1.2
153.07037	1.8
153.09125	6.2
153.12729	4.0
155.08614	4.9
163.07521	1.7
163.11191	21.1
163.12503	1.6
163.14706	1.1
165.06950	1.9
165.12756	1.2
166.07701	1.5
166.86847	1.0
167.08496	1.2
167.10689	1.2
167.14331	1.9
173.09662	7.8
173.13280	3.4
177.05421	1.2
179.08588	5.3
179.10637	3.3
181.09990	2.7
181.12250	2.8
191.08501	1.1
191.10660	6.9
191.14323	5.1
193.12186	9.2
194.10893	5.5
194.12991	3.9
209.00708	1.0
209.04433	4.1
209.09630	3.4
209.11696	5.6
209.13301	8.3
209.15361	100.0
210.11060	1.2
210.15837	3.1
227.12506	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	10.8
55.01878	11.5
55.05519	15.2
57.03425	3.3
57.07081	10.7
60.63919	1.1
65.03941	2.1
67.05512	35.1
68.99776	2.0
69.03410	2.9
69.07073	10.5
70.06603	2.4
71.01363	1.2
71.05003	5.2
71.50219	1.2
79.05501	33.8
81.03007	1.6
81.03431	24.5
81.07066	36.2
83.04988	21.6
83.08631	7.3
83.94497	1.0
84.04519	1.2
84.08158	1.2
85.02882	1.1
85.06521	3.0
91.05492	17.8
93.07058	36.2
95.04462	1.3
95.04979	16.4
95.06051	3.7
95.08614	22.8
96.30527	1.0
97.02885	3.5
97.06538	10.2
97.10152	1.0
99.04467	6.4
103.05451	2.8
105.04505	1.7
105.07037	11.0
107.04972	15.9
107.08608	22.9
109.02820	1.5
109.05824	1.3
109.06534	20.4
109.10211	4.7
110.07201	1.1
111.04449	10.7
111.08084	5.1
113.06017	1.1
117.07031	10.8
117.95982	2.6
119.08582	8.3
121.06518	7.5
121.10159	17.1
123.08038	3.9
123.11737	1.3
125.06005	2.9
125.09625	3.4
129.06975	2.8
130.07771	2.4
131.04939	2.4
131.08603	6.9
133.10117	3.6
135.08063	9.6
135.11714	18.4
137.05966	1.9
137.09547	1.1
139.35184	1.0
141.94411	0.9
143.08514	1.3
145.01016	1.2
145.06500	5.4
145.10127	20.4
147.08005	1.3
147.11668	1.6
149.05952	2.7
149.09645	14.6
149.13258	2.0
151.07550	6.0
151.11169	4.1
153.05455	1.2
153.07037	1.8
153.09125	6.2
153.12729	4.0
155.08614	4.9
163.07521	1.7
163.11191	21.1
163.12503	1.6
163.14706	1.1
165.06950	1.9
165.12756	1.2
166.07701	1.5
166.86847	1.0
167.08496	1.2
167.10689	1.2
167.14331	1.9
173.09662	7.8
173.13280	3.4
177.05421	1.2
179.08588	5.3
179.10637	3.3
181.09990	2.7
181.12250	2.8
191.08501	1.1
191.10660	6.9
191.14323	5.1
193.12186	9.2
194.10893	5.5
194.12991	3.9
209.00708	1.0
209.04433	4.1
209.09630	3.4
209.11696	5.6
209.13301	8.3
209.15361	100.0
210.11060	1.2
210.15837	3.1
227.12506	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.2
55.01889	0.4
58.99897	1.0
68.98332	0.5
69.14320	1.0
69.14745	1.7
70.06644	0.2
77.00950	0.7
78.41252	0.2
80.05047	0.5
81.03428	1.3
84.08165	0.3
85.01423	0.3
85.71778	0.3
85.82622	0.2
86.99339	0.4
90.75809	0.3
96.38259	0.2
100.00105	0.4
100.02514	0.5
101.00915	1.1
102.00996	0.4
103.00665	0.3
103.02482	0.8
105.00396	0.4
108.04520	1.0
109.02898	1.8
113.00912	0.5
115.02465	1.1
116.02573	0.4
118.01138	0.5
118.03515	0.3
119.01934	3.8
119.02726	0.4
120.02132	0.5
121.01680	1.5
126.04026	0.2
129.03992	1.2
129.52425	0.2
131.01900	1.6
131.05563	0.4
133.03503	0.8
136.41940	0.2
137.02988	0.7
138.03133	0.3
139.00859	0.3
139.02423	1.7
141.03990	0.8
142.03503	0.5
143.01930	0.8
143.03685	0.5
144.02185	0.4
144.03268	1.6
144.05132	0.4
145.03545	0.7
147.05054	0.8
149.00752	1.4
155.01874	0.3
155.05524	0.2
157.03481	6.9
159.01364	0.4
159.05022	1.7
161.02928	1.4
161.04694	0.4
162.03099	3.1
162.04295	0.4
163.02795	0.3
166.03535	0.3
167.01906	11.0
167.03383	0.4
168.02000	0.4
168.05144	0.6
173.03015	1.0
175.04500	1.6
177.06097	0.7
177.07573	0.3
180.05173	0.5
182.06667	0.7
184.03043	0.3
184.04527	1.3
185.02975	100.0
185.04593	4.1
185.06532	2.2
186.03143	2.7
186.06163	0.9
187.03557	0.3
190.03500	3.0
200.07736	0.4
203.02266	2.1
203.04021	20.9
203.05672	1.1
203.07698	1.5
204.04163	0.6
204.07323	0.3
208.04562	24.6
208.09708	0.8
208.13260	0.6
209.04672	0.8
221.03320	0.5
221.05048	1.6
226.03519	0.4
226.05605	3.1
226.09297	0.4
227.03947	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1745
Annotation	(+)-trans-alpha-Irone
Peak:m/z	Relative Intensity
53.03941	4.4
55.01873	1.8
55.05025	0.9
55.05518	11.0
57.07070	3.8
59.02258	1.0
59.04986	2.8
60.80715	1.1
62.40896	1.2
62.85030	1.1
65.03930	1.2
67.05515	20.4
69.03424	5.1
69.07075	13.7
70.64149	1.1
71.04987	7.0
78.09323	1.2
79.05500	16.9
79.71371	1.0
81.03417	4.2
81.06588	2.2
81.07064	39.6
83.04969	2.1
83.08628	7.7
85.06535	3.9
91.05495	14.4
93.07052	48.1
95.04967	4.4
95.08617	38.5
95.09138	0.8
95.09238	1.2
97.06522	4.3
97.10172	5.6
98.21537	2.2
99.08102	2.1
103.05487	2.0
105.07037	23.0
107.04960	3.6
107.08606	21.5
109.02908	7.0
109.06512	4.3
109.10165	38.0
111.08097	11.2
117.07050	1.8
119.04956	2.2
119.08592	46.7
121.10156	100.0
123.08060	7.0
123.11734	31.0
125.09645	3.5
128.06192	1.6
129.07030	1.4
131.08588	4.0
133.06526	2.0
133.10147	29.1
135.08026	1.3
135.11703	12.6
137.05983	1.8
137.09645	12.5
137.13263	1.9
139.11153	1.9
141.06935	1.2
145.10126	2.3
147.04454	2.7
147.08081	2.0
147.10544	1.5
147.11707	20.8
149.09622	3.8
149.13257	9.9
151.07541	3.3
151.11179	9.4
161.09700	2.5
161.13271	5.5
163.11128	1.4
163.14822	8.7
164.04675	1.1
165.12767	3.5
179.08493	1.4
179.18002	3.5
189.05605	1.3
189.09245	2.0
189.12816	3.9
189.16396	46.1
190.16748	1.3
191.08688	1.9
192.09383	3.8
207.06516	3.5
207.10010	1.7
207.11809	7.4
207.13890	7.0
207.17470	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1746
Annotation	(+)-trans-alpha-Irone
Peak:m/z	Relative Intensity
53.03946	5.2
55.01868	4.0
55.05518	14.2
57.03438	1.6
57.07081	7.1
59.05019	1.5
61.99656	1.4
65.03941	2.7
67.05508	27.3
69.07072	18.6
71.04988	10.2
71.49474	2.5
77.03948	2.0
79.05505	23.4
81.03393	1.7
81.07067	69.9
83.04988	2.4
83.08624	7.2
85.02910	2.3
85.06550	9.1
91.05489	34.3
93.07050	52.6
95.04978	6.1
95.08618	100.0
97.06537	12.1
97.10175	5.5
99.08109	4.4
103.05453	1.8
105.07047	41.4
107.05003	3.4
107.08609	60.1
108.08921	2.4
109.02901	4.0
109.06538	7.8
109.10172	35.8
111.08088	7.7
113.05901	1.4
113.09649	4.8
115.96468	4.3
117.07004	2.5
119.04982	8.4
119.07726	2.2
119.08589	41.5
121.09321	2.7
121.10157	32.5
123.04398	2.2
123.08092	21.9
123.11694	6.0
125.09646	4.4
127.00476	1.4
127.11209	2.1
128.06213	1.6
129.06990	1.6
131.08575	4.8
133.06557	2.0
133.10147	46.7
135.08069	2.3
135.11728	4.8
136.09813	1.5
137.05916	2.3
137.09599	7.4
137.13275	4.1
143.08563	2.3
145.10124	4.7
147.04417	9.1
147.08032	3.8
147.10548	2.0
147.11707	38.8
149.02290	3.0
149.09618	7.0
149.13280	61.3
151.07547	4.3
151.11209	5.0
159.11656	1.7
161.09615	5.3
161.13254	19.7
163.03920	1.4
163.14832	12.1
164.04625	3.0
165.12747	4.0
171.11702	1.9
175.03961	4.6
178.07852	2.3
179.07053	3.2
179.08543	2.3
189.09042	2.0
189.12778	6.8
189.16402	67.1
190.12366	1.8
191.08850	1.8
192.09494	3.4
207.06453	14.4
207.07976	2.2
207.09932	3.1
207.11897	8.0
207.13879	14.6
207.17458	42.9
208.09715	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03942	3.5
55.01865	3.4
55.05512	10.6
56.72773	2.6
57.07058	8.9
59.04980	3.8
64.30134	1.9
65.03938	3.7
67.05505	16.3
69.03432	16.9
69.07059	12.4
70.94626	3.2
70.94944	3.1
71.04992	12.1
77.03922	2.6
79.05490	22.8
80.16671	2.1
81.07061	34.8
83.04998	10.4
83.08615	5.1
85.02888	6.3
85.06541	6.7
91.05482	35.9
93.07042	21.9
95.04971	29.7
95.08056	3.9
95.08605	41.0
96.72606	2.2
97.06527	7.0
98.97578	7.4
105.07037	55.2
107.04939	3.3
107.07878	4.7
107.08594	91.9
109.06520	26.2
109.10150	9.9
111.08044	3.5
116.06181	2.4
117.07033	3.4
119.04979	2.3
119.08578	55.7
121.06503	28.7
121.09327	3.4
121.10148	39.5
122.07282	11.1
123.08066	42.7
123.11688	15.2
125.05977	2.6
125.09617	7.4
128.06236	2.3
129.06985	6.7
131.08588	32.6
133.06500	11.6
133.07376	2.8
133.10155	10.3
135.08002	5.4
135.11736	4.0
136.08798	3.0
137.05991	4.4
137.09593	7.9
137.13225	4.7
143.08534	6.9
145.10141	12.6
147.04417	3.9
147.08064	7.1
147.10529	2.9
147.11697	55.9
149.09622	100.0
151.07547	70.2
156.09348	17.4
159.08061	3.2
159.11691	2.6
161.09592	6.8
161.13281	18.5
163.11151	5.9
164.04564	2.8
165.09091	9.8
165.12762	25.4
171.10530	1.8
171.11711	16.8
179.14368	4.2
189.12750	59.6
189.16316	3.2
207.06506	8.1
207.12108	4.2
207.13802	93.3
207.17473	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	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.27370	2.2
53.03932	4.9
55.01859	7.1
55.05523	22.1
56.96547	3.6
57.03425	5.6
57.07067	4.3
65.03938	4.4
67.05502	18.7
69.03420	8.1
69.07081	19.2
70.06592	3.1
70.41808	2.1
70.67599	3.1
70.67947	4.9
71.04999	22.5
72.51283	2.1
79.05498	18.7
81.03429	2.5
81.07066	28.1
83.04984	17.5
83.08620	3.3
84.08116	3.6
85.02913	26.4
85.06535	6.8
91.05495	43.4
93.07058	25.7
93.41554	2.2
95.04989	14.3
95.08611	29.3
97.06528	15.4
98.97567	7.9
99.04464	51.2
103.05441	4.7
105.07034	50.8
107.04952	6.3
107.08602	37.1
109.06532	67.0
109.10174	14.8
109.10831	2.7
111.08086	23.0
116.45821	2.4
117.07017	5.5
119.04926	16.0
119.07816	3.3
119.08595	47.7
121.06486	10.1
121.10152	45.8
123.08080	29.5
123.11725	20.8
129.06967	5.2
131.08572	12.0
133.06488	7.4
133.10135	25.4
135.08028	10.1
135.11708	3.8
137.05998	6.9
137.09634	18.4
137.13251	5.6
143.08556	7.1
145.06477	3.7
145.10170	11.0
147.04361	8.9
147.08076	18.5
147.11705	76.1
149.02396	3.9
149.09634	62.4
151.07555	40.4
151.11163	4.8
156.09349	8.9
158.99695	2.9
159.08076	11.1
161.09673	10.8
161.13295	29.9
163.11186	5.8
164.04681	7.4
164.08226	2.4
165.09142	11.8
165.12767	59.2
171.11765	10.8
174.10403	27.5
175.03894	5.8
178.07747	7.2
179.07127	5.3
179.08549	7.1
179.14255	5.2
189.09035	4.4
189.12766	71.9
189.16441	4.0
191.08829	2.8
192.04124	3.1
207.06467	19.4
207.08148	4.8
207.09976	3.7
207.12027	16.6
207.13806	100.0
208.09798	4.2
214.77039	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	207.1383
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03932	1.4
55.01859	3.3
55.05515	17.4
57.03440	1.3
65.03939	1.2
67.05508	12.2
69.03443	5.3
69.07074	6.9
69.61503	4.8
71.05001	4.6
79.05495	7.7
80.89524	1.0
80.93378	0.9
80.94939	1.2
81.03409	2.1
81.07072	11.3
83.05002	5.0
83.08584	1.8
85.02908	10.1
85.06550	8.2
88.21823	1.0
91.05484	13.4
93.07051	12.3
95.04983	7.3
95.08611	13.5
97.02892	1.4
97.06537	14.9
99.04475	1.6
103.05476	1.1
105.07043	23.2
107.04941	1.7
107.08604	12.3
109.06525	53.7
109.10162	9.6
111.08090	38.8
117.07014	4.7
119.04963	2.1
119.08594	34.3
120.08103	1.5
121.06489	3.2
121.10155	18.3
122.07294	3.1
123.04436	2.7
123.08072	22.5
123.11693	8.0
128.06201	1.5
129.06999	2.0
130.07761	2.7
131.08540	4.4
133.06494	2.5
133.10138	25.1
135.08055	7.4
135.11754	4.9
137.05969	3.0
137.09621	22.6
137.13258	2.8
138.46989	1.1
141.07031	2.0
143.08560	4.1
145.06496	1.5
145.10120	8.1
147.04373	2.4
147.08069	9.3
147.11694	23.4
149.09631	35.1
150.06763	1.4
151.07558	27.1
151.11197	2.9
152.08353	2.5
153.09114	7.5
156.09366	11.2
157.36414	1.0
159.08061	4.2
160.08823	1.8
161.06010	1.1
161.09604	7.5
161.13272	15.1
163.09702	1.2
163.11191	20.3
164.08328	3.9
165.09129	100.0
165.12785	12.1
166.09454	2.7
171.11726	12.9
174.10411	12.5
178.07767	2.6
179.07155	1.3
179.08568	4.0
179.10698	1.3
179.14355	2.4
189.09113	1.8
189.12755	36.6
189.16385	1.2
191.09024	2.2
192.09798	1.0
192.11456	2.6
207.06488	3.7
207.12164	4.6
207.13817	93.2
208.14145	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	207.1383
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.79561	2.7
53.03946	4.2
55.01867	7.1
55.05514	21.4
57.07064	4.5
59.04991	5.6
67.05500	17.1
69.03416	11.8
69.07043	8.6
69.76544	5.4
69.76958	8.8
71.05003	13.7
72.08157	2.7
73.73901	2.5
77.68491	2.5
79.05498	23.8
81.07057	33.5
83.04962	6.5
85.02909	100.0
85.06542	3.3
91.05487	62.0
93.03388	2.7
93.07054	29.4
95.05000	14.8
95.08621	24.3
97.06509	3.7
98.20735	3.5
103.05428	4.8
103.30042	2.6
105.07040	75.8
107.04935	5.9
107.08602	57.7
108.79899	2.6
109.06514	22.8
109.10149	11.5
111.04414	3.7
111.08068	4.2
115.05447	6.0
116.06281	3.6
117.07025	20.6
119.04939	9.0
119.08584	99.3
121.06487	8.1
121.09341	3.8
121.10158	48.2
123.04456	3.7
123.08072	28.9
123.11721	75.2
125.06015	5.9
128.06212	8.2
129.07022	14.8
129.07799	2.7
130.07835	3.0
131.07748	3.6
131.08589	48.2
133.06476	6.7
133.10138	24.0
135.08057	80.9
135.11668	7.2
136.07571	4.5
137.09608	12.3
137.13351	2.8
141.05417	3.7
141.06990	7.2
143.08578	23.8
145.10115	23.7
147.04396	4.7
147.08057	54.8
147.11691	65.5
149.09622	57.0
151.07535	8.8
156.09366	48.1
159.08041	3.8
159.11659	9.2
160.08813	3.9
161.06029	3.1
161.09584	12.5
161.13249	35.2
163.11147	11.1
165.09087	12.2
165.12798	15.5
171.11699	42.7
172.96196	2.6
174.10364	7.2
175.03961	4.4
177.12729	2.6
179.14130	4.2
189.09041	2.8
189.12753	67.2
189.16245	2.6
196.66389	2.8
207.06473	6.4
207.12035	4.1
207.13789	91.9
207.16936	4.1
213.81001	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	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03935	1.5
55.01862	1.1
55.05516	5.9
57.03429	1.5
57.07068	5.1
58.60091	0.9
59.04988	2.7
61.21726	1.0
62.10092	1.0
62.62069	1.0
67.05509	34.4
69.03419	4.6
69.07059	4.9
69.53687	2.7
69.54102	6.2
71.04986	2.6
79.05506	8.5
81.07075	10.6
83.04972	3.6
85.02914	15.1
85.06553	10.7
91.05490	12.4
93.07058	18.2
95.04976	6.2
95.08616	100.0
97.06511	1.3
98.21491	2.3
103.05484	1.3
105.06400	2.0
105.07040	24.2
107.04947	2.1
107.08605	25.7
109.06516	7.3
109.10153	6.3
111.08107	1.8
113.06011	3.9
119.04913	2.0
119.08598	34.3
120.09348	2.8
121.06522	4.3
121.10153	22.5
123.08079	55.5
123.08971	2.8
123.11704	16.4
129.06961	1.8
131.08559	6.0
132.62190	1.1
133.06491	3.5
133.10124	6.2
135.08057	1.6
135.11691	4.5
137.09665	5.5
137.13187	2.5
138.27419	1.5
139.07549	3.2
143.08511	1.6
145.06430	1.1
145.10127	4.2
147.08054	7.3
147.11713	21.4
149.09634	58.8
150.09993	1.2
151.07542	4.0
151.14850	3.3
153.09009	1.3
156.09355	4.8
159.08040	2.3
160.08832	2.0
161.09596	3.3
161.13271	22.9
163.11191	4.1
165.09076	1.5
165.12782	11.2
171.11679	4.7
174.10425	4.9
179.14317	3.1
189.12755	22.1
207.13820	45.4
208.14145	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	207.1383
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03931	2.1
55.01860	2.0
55.05519	6.3
57.03433	1.6
57.07057	2.7
65.03923	1.2
65.44783	0.9
67.05508	9.7
69.03435	7.3
69.07062	3.9
70.06728	1.6
70.07103	1.6
71.04985	2.9
72.08147	1.4
76.09753	0.7
77.49001	0.8
79.05504	8.6
81.03385	2.2
81.06600	1.3
81.07063	21.4
83.04973	2.5
83.08615	1.2
84.08142	1.4
85.02911	100.0
85.06530	2.5
87.05577	1.3
91.05479	12.5
93.07048	10.4
95.04944	3.2
95.08614	14.5
97.02874	0.9
97.06499	1.4
98.97598	1.0
103.05443	1.6
105.07036	20.2
107.04929	3.8
107.08610	12.4
109.02864	4.6
109.06532	7.1
109.09480	1.4
109.10161	17.1
110.08219	0.8
111.04470	1.8
111.08083	2.3
117.07006	3.4
119.04964	2.1
119.08591	19.6
120.08086	3.0
121.06486	3.6
121.10156	14.3
123.04409	2.2
123.08095	11.2
123.11719	61.1
125.05994	13.3
128.06219	2.2
129.07014	1.7
130.07741	1.6
131.08600	5.3
133.06493	2.9
133.10144	6.8
135.08043	1.6
135.11729	2.0
137.05959	3.0
137.09589	2.4
139.07529	2.0
141.05504	1.2
143.08498	3.3
144.08058	3.4
145.06516	1.3
145.10132	7.9
146.10918	0.9
147.04430	1.8
147.08043	7.7
147.11696	18.7
149.09627	21.2
151.07553	8.4
156.09384	5.6
159.07990	1.9
161.05925	1.1
161.09619	5.9
161.13298	4.5
162.09148	1.8
163.03799	0.9
163.11159	3.5
165.09106	2.4
165.12738	4.7
169.08694	1.2
171.08051	1.1
171.11713	3.8
174.10405	2.9
179.10608	1.2
189.05461	1.9
189.09103	2.2
189.12758	16.7
191.09003	1.1
192.09749	1.0
207.06465	3.4
207.08345	1.1
207.10133	1.7
207.12082	3.2
207.13803	45.1
207.17096	1.8
208.14043	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03936	4.5
55.01862	2.8
55.05514	10.8
56.62900	1.9
57.03428	2.7
57.07062	3.4
58.03824	1.7
58.51092	2.0
59.05005	4.4
61.13185	1.6
65.03904	1.6
67.05514	14.4
69.03432	12.9
69.07045	6.8
71.04988	5.9
72.08158	4.3
74.54846	1.6
79.05509	15.4
81.07056	24.0
83.04964	6.7
84.08149	2.7
85.02438	2.9
85.02908	42.5
85.06532	5.9
91.04976	3.1
91.05482	33.6
93.07050	21.0
94.85925	2.0
95.04946	8.2
95.08598	17.5
97.06497	2.4
98.97569	1.8
103.05444	6.5
105.07035	67.0
107.04973	10.3
107.08614	23.5
109.02899	2.0
109.06529	25.3
109.07673	2.2
109.10130	8.0
110.07133	1.7
111.08050	2.4
115.05424	3.9
117.06995	9.5
119.04932	6.1
119.08588	69.7
121.06487	4.7
121.10136	34.0
123.08085	18.8
123.11703	27.5
125.05975	6.3
128.06195	5.0
129.06972	6.6
130.07779	6.9
131.08582	27.3
133.06448	5.2
133.07407	2.0
133.10155	19.5
135.08035	3.4
135.11670	3.5
137.05914	2.4
137.09602	4.9
141.06956	6.3
143.08551	16.5
145.06435	2.8
145.09279	1.7
145.10146	18.9
146.10849	7.5
147.04358	3.6
147.08061	23.3
147.11697	76.4
149.09630	20.3
151.07556	11.7
156.09344	24.3
159.08011	8.0
160.08807	5.8
161.05991	3.5
161.09584	8.0
161.13257	32.4
163.11169	16.4
165.12747	7.6
171.11674	11.5
173.09601	3.1
174.10391	15.4
175.03824	2.2
189.09065	2.5
189.12741	78.9
191.08981	7.3
191.98604	1.8
192.09656	3.1
198.09897	1.8
207.06450	7.0
207.08195	2.8
207.12029	18.2
207.13788	100.0
208.14040	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	207.1381
Annotation	Plastoquinol-1
Peak:m/z	Relative Intensity
55.05524	1.6
56.96559	0.5
57.07071	0.7
67.05511	1.5
69.03429	0.6
69.07082	2.5
70.74320	0.8
71.04977	0.4
74.89140	0.3
79.05499	2.3
79.46850	0.3
80.12847	0.3
81.07059	3.9
83.08594	0.6
88.02018	0.3
89.99603	0.3
91.05473	3.5
93.07045	2.9
95.04960	1.6
95.08615	3.3
96.86169	0.3
97.06531	0.7
103.05476	0.5
104.16722	0.4
105.04520	0.4
105.07034	7.1
106.35701	0.3
107.08600	3.8
109.06498	1.7
109.10194	1.4
114.35931	0.3
115.05450	0.3
115.96468	0.4
117.07014	1.4
119.08589	7.4
121.06525	1.9
121.10156	2.8
122.07268	0.4
123.08071	6.3
123.11736	2.0
128.06232	0.4
129.06987	0.4
130.07802	0.5
131.08611	2.0
133.06522	2.3
133.10124	3.0
135.08025	0.7
135.11708	0.9
136.08820	0.5
137.05986	0.8
137.09631	0.9
137.13251	0.7
143.08546	1.1
145.10138	2.1
146.10875	0.5
147.08081	1.7
147.11694	6.2
149.09636	4.2
149.13286	1.1
151.07555	7.0
156.09349	1.3
159.08069	4.5
160.08768	0.3
161.13289	1.5
163.11171	2.0
164.12013	0.7
165.09140	1.6
165.12782	2.5
171.11725	1.7
173.09581	1.7
174.10429	5.0
175.11128	0.9
177.09120	2.0
189.12761	8.2
189.16389	1.3
191.09085	0.3
191.10696	4.5
192.09602	0.9
192.11455	26.9
193.11852	0.4
207.06522	1.0
207.13809	100.0
208.14201	1.9
219.67888	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1383
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.59466	0.9
51.02379	1.1
53.03951	8.2
55.01876	2.0
55.05510	5.9
57.07059	1.2
63.78857	0.8
65.03954	2.2
67.05507	22.2
69.03439	1.9
69.07063	5.3
70.23837	3.4
71.04992	2.0
77.03923	1.8
79.05497	44.7
81.03425	2.5
81.07055	21.1
83.04987	2.5
83.08617	2.9
85.02899	2.7
85.06535	3.1
91.04903	2.3
91.05486	57.5
93.07049	100.0
95.04975	13.9
95.08627	10.4
97.06531	1.5
103.05451	1.6
105.04512	4.9
105.07040	27.9
107.04958	2.3
107.08588	11.7
107.26392	0.9
109.06522	4.6
109.10169	1.1
111.08030	1.4
112.62144	1.1
115.05467	1.0
115.96442	4.1
117.07008	5.7
119.04977	1.6
119.08595	21.4
121.06473	2.6
121.10178	5.9
123.08120	5.3
123.11753	1.1
127.99866	1.0
128.06252	1.7
129.07008	9.6
131.08594	4.0
133.06485	2.3
133.10136	6.7
135.08051	1.6
135.11829	1.0
137.05962	1.9
137.09642	1.4
143.08578	5.3
145.10147	9.5
146.10901	1.2
147.04465	1.5
147.08087	3.6
147.11696	55.9
148.12067	1.1
149.09619	2.8
151.07544	1.7
161.06006	1.2
161.09663	3.8
161.13271	9.4
163.11177	1.4
165.12804	1.9
171.11703	17.3
175.03940	1.7
189.12735	11.7
189.16386	1.4
191.08882	1.8
192.09415	4.7
192.11581	0.9
207.06529	3.0
207.08292	1.9
207.09993	2.2
207.11818	8.8
207.13861	20.3
207.17542	2.4
220.04486	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.32575	0.9
53.03946	9.8
55.01866	2.4
55.05508	9.3
56.96566	1.3
57.03426	2.3
63.35317	1.1
65.03922	2.6
67.05510	29.6
69.03436	1.8
69.07066	8.1
71.04985	4.4
71.50499	2.2
79.05497	47.1
81.03416	2.9
81.07058	24.3
83.04980	4.2
83.08627	2.5
85.02895	1.4
85.06541	3.0
91.04902	2.7
91.05487	57.9
93.07050	100.0
95.04974	16.1
95.06077	2.0
95.08610	11.3
97.06554	2.5
99.04480	1.2
105.04509	5.1
105.07043	32.4
107.04956	1.3
107.08603	16.1
109.02882	1.5
109.06535	6.8
109.10143	3.1
111.04472	1.7
111.08081	2.3
115.05507	1.4
115.96458	9.2
116.97201	4.3
117.07042	6.6
119.08592	22.6
121.06531	2.6
121.07614	1.5
121.10160	6.3
123.04469	1.1
123.08056	6.6
123.11713	1.8
125.06111	1.2
127.07507	1.4
128.06198	1.9
129.07004	10.1
130.07794	1.9
131.08540	2.3
133.06459	2.2
133.10155	9.1
133.97488	2.3
135.08023	1.3
137.05946	1.3
137.09534	1.8
143.08562	7.5
145.10133	11.8
147.08041	5.5
147.11703	63.1
149.09625	4.2
151.07533	2.1
151.11165	1.2
156.09373	2.0
159.07939	1.3
161.05925	1.7
161.09592	6.3
161.13289	11.5
162.09142	1.7
163.11185	2.1
164.29802	1.1
165.09151	1.9
165.12769	3.6
171.11702	19.5
179.08597	1.5
189.12746	17.3
189.16406	1.7
190.08612	1.4
191.08696	2.5
192.09384	7.0
193.09778	1.2
207.06502	5.5
207.08351	2.0
207.11749	16.1
207.13826	29.5
207.17435	2.7
208.09656	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	206.9457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53729	9.1
69.40803	31.3
69.41228	40.5
74.61501	8.6
94.93015	100.0
101.00883	14.1
110.88748	9.7
113.00913	15.2
119.01897	9.3
131.01863	25.8
142.03444	12.7
161.02979	45.4
165.78792	9.8
184.04597	37.0
206.94574	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03942	1.8
55.01876	1.1
55.05511	5.0
57.03424	1.2
57.07074	1.9
67.05524	5.6
69.03409	2.2
69.07060	4.4
71.04984	1.5
71.50460	1.0
79.05493	4.6
81.03413	1.4
81.07056	8.0
83.04993	2.4
83.08621	2.2
85.02905	2.3
91.05482	7.5
93.07047	5.4
95.04971	40.9
95.05995	1.6
95.08613	9.9
97.06548	1.7
101.50700	0.9
105.07037	11.0
107.04958	1.8
107.08609	9.7
109.02886	1.0
109.06524	13.7
109.10169	2.9
115.96434	8.6
116.97243	2.1
117.07012	2.0
119.08585	8.2
121.06564	2.3
121.07628	1.6
121.10145	5.8
123.08068	4.8
123.11700	3.7
131.08601	1.8
133.06465	3.1
133.10141	3.1
133.97484	3.9
135.08063	1.4
137.05977	26.9
137.09605	1.9
137.13257	1.4
138.06732	4.3
143.08617	1.4
145.10173	1.5
147.04503	1.9
147.08070	2.1
147.11685	11.2
149.09564	4.9
149.13187	0.9
151.07524	6.3
156.09395	1.2
161.06020	1.2
161.09598	1.4
161.13272	4.6
163.09473	1.1
163.11215	2.5
165.12758	100.0
166.13123	1.8
171.11736	3.3
175.03995	1.2
178.07893	1.6
179.08546	1.2
184.00145	1.1
188.30515	1.1
189.05482	1.5
189.09138	1.5
189.12769	5.4
191.08940	3.1
192.09346	5.8
197.44977	0.9
207.06540	3.9
207.08334	2.2
207.09990	2.3
207.11906	13.6
207.13838	23.9
207.17442	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	205.1954
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03951	1.5
55.05512	11.5
57.07079	12.1
60.04526	1.3
65.03953	6.1
67.05247	0.9
67.05515	10.6
69.03412	1.0
69.06742	1.0
69.07077	17.8
71.08634	0.9
71.72549	0.9
74.56558	0.8
76.44983	0.8
79.05496	10.9
79.28648	0.9
81.03439	1.8
81.06593	1.6
81.07066	34.8
83.08619	7.7
85.02892	2.7
91.05481	7.1
93.07053	36.4
95.04973	1.0
95.08614	24.3
97.02900	3.8
97.09612	1.0
97.10157	5.0
98.21525	2.2
99.04424	1.0
105.07027	7.4
107.08600	30.6
109.02870	2.2
109.06536	1.2
109.10168	21.1
111.04465	1.6
111.11713	2.6
116.25059	0.9
116.38897	0.9
117.07047	1.4
119.08573	3.7
121.02867	13.6
121.03976	3.1
121.06512	2.3
121.10152	55.9
122.10519	1.4
123.08101	1.2
123.11709	11.4
124.03735	0.9
127.03868	1.7
127.05952	1.0
131.08606	2.3
133.10146	1.4
135.11710	20.9
139.85504	0.8
145.06491	1.1
145.10118	4.7
147.11699	2.6
149.02354	100.0
149.09700	1.5
149.13266	36.9
150.02756	1.2
159.11665	1.6
163.14803	4.7
174.93301	1.1
177.12704	1.7
187.14799	1.2
190.08598	1.7
190.11874	0.9
191.09467	1.2
191.94904	1.1
192.94324	1.5
205.04948	1.6
205.08530	1.6
205.10289	2.0
205.12296	2.9
205.14194	2.8
205.15967	4.2
205.19543	23.5
206.11819	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	205.1953
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
52.35836	0.9
53.03940	2.9
55.05276	0.9
55.05515	14.6
57.07075	9.1
60.04510	2.2
61.04874	1.4
62.10273	1.0
65.03938	5.5
65.31341	0.9
67.05509	100.0
68.05003	1.0
69.03426	2.4
69.07071	14.7
71.04977	1.4
71.50367	1.9
72.93454	0.9
79.05498	41.4
81.03427	2.6
81.07063	84.6
82.07400	1.1
83.08627	8.7
84.04504	1.4
85.02900	2.7
85.04832	1.6
91.05481	10.1
93.03378	1.0
93.07052	52.7
95.04956	2.0
95.08613	37.4
96.99647	1.0
97.02889	5.8
97.10169	3.8
99.04411	1.9
105.04490	1.1
105.07019	6.6
107.04946	2.4
107.08603	29.5
109.02848	3.1
109.06516	1.1
109.10166	32.0
115.30974	1.0
117.07017	1.7
118.57053	0.9
119.08607	5.5
120.64954	1.0
121.02858	6.2
121.04028	1.3
121.06509	4.4
121.10154	70.7
122.10448	1.3
123.08064	1.9
123.11714	37.5
126.05547	1.4
127.03926	2.6
127.05852	2.8
130.07817	1.1
131.08519	5.2
131.97466	1.7
133.10097	1.3
135.08061	3.5
135.11703	46.9
136.12003	1.5
137.13252	4.8
139.05914	1.9
143.08574	1.4
145.10129	5.6
147.08029	2.1
147.11697	3.0
149.02359	49.9
149.05968	1.2
149.09615	3.8
149.13274	16.4
150.02672	1.1
159.08055	2.4
159.11661	4.1
161.09677	1.3
161.13200	1.5
162.09164	1.1
162.10420	1.8
163.11192	2.7
163.14847	7.4
165.68860	1.0
174.93286	3.5
177.12761	2.2
183.08574	0.9
187.11226	1.9
187.14839	1.9
188.07076	1.7
190.08611	2.3
192.94325	6.2
205.04939	2.5
205.07011	1.0
205.08830	3.5
205.12213	5.3
205.14215	4.7
205.15886	76.8
205.19514	59.9
205.21500	2.2
205.97452	1.2
206.08185	2.0
206.11775	10.7
206.16214	3.2
206.19690	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.159
Annotation	(+)-Chamecynenol
Peak:m/z	Relative Intensity
50.75547	1.3
53.03946	3.6
55.01867	2.5
55.05521	8.8
57.03439	2.4
57.07083	6.6
59.05000	1.1
60.04509	2.4
65.03951	3.1
67.05513	26.9
69.03441	7.3
69.07079	8.5
70.73990	1.8
70.74301	2.4
71.05009	7.7
79.05502	20.8
81.03437	6.0
81.07069	63.4
82.07386	1.2
83.04986	2.6
83.08617	4.0
85.02917	9.7
85.06535	2.0
87.57536	1.2
90.58282	1.4
91.05486	16.7
93.06492	1.8
93.07056	31.9
95.04986	10.8
95.08620	100.0
97.02907	3.9
97.06531	6.9
97.10155	1.5
99.04458	2.8
105.07043	44.4
107.04963	1.6
107.08611	33.5
109.02928	6.0
109.06532	19.0
109.10186	12.2
111.08101	14.3
117.07030	6.6
119.08591	23.7
121.02876	5.0
121.06524	8.3
121.10147	19.3
123.08084	48.2
123.11726	2.8
125.09687	2.1
127.03916	5.6
129.06981	1.6
130.07791	2.4
131.08597	22.3
133.10167	10.4
135.08089	6.6
135.11723	12.1
137.09618	4.9
145.10146	40.7
147.08096	2.0
147.11716	37.7
148.11957	1.8
149.02361	30.4
149.09653	12.3
149.13269	4.5
150.18900	1.5
157.10179	1.7
158.10876	1.5
159.08064	2.0
159.11713	17.3
161.13271	10.5
163.11208	5.2
163.14836	5.7
172.12601	1.5
177.12759	4.3
177.16438	4.9
187.11247	2.0
187.14845	35.7
190.13210	2.1
205.08620	2.4
205.12248	5.1
205.14317	5.0
205.15904	95.5
206.11790	4.7
206.16164	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	205.1588
Annotation	Khusimone
Peak:m/z	Relative Intensity
53.03940	0.8
53.69028	0.6
53.78950	0.7
55.05499	2.5
57.07063	1.5
67.05511	4.9
69.07053	2.6
71.04994	20.0
76.32861	0.6
79.05501	4.4
81.07060	13.0
83.08612	1.0
85.06519	1.6
91.05476	7.3
93.07047	14.7
95.04963	6.8
95.08607	19.0
97.06525	3.2
99.08098	1.1
105.07036	41.3
107.08601	13.3
109.06524	7.5
109.10158	4.5
111.08090	7.2
113.09650	9.4
117.07036	2.8
119.08587	17.1
121.06506	1.0
121.10146	18.8
123.08048	2.0
123.11745	1.2
125.09631	1.0
129.06998	1.4
130.07736	0.8
131.08569	12.9
133.10139	3.1
135.08069	1.4
135.11681	2.2
137.09647	0.8
143.08501	1.0
145.10126	26.5
147.11688	40.9
149.02361	6.0
149.09607	2.3
149.13245	0.8
159.11702	7.1
161.13274	8.0
163.11195	1.7
163.14836	5.4
172.12512	0.7
177.12810	0.9
187.14825	35.5
205.15884	100.0
206.16225	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	205.0973
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
56.91246	0.6
59.76684	0.5
67.96315	0.5
70.63957	1.3
70.64291	0.8
74.02454	2.4
91.05508	1.5
97.35807	0.5
115.05434	2.9
117.05780	1.4
117.07026	3.4
118.06551	43.1
119.06935	0.7
126.76276	0.6
130.06522	2.8
132.07196	1.0
132.08109	11.7
142.06532	3.3
143.07310	5.6
144.08095	22.6
146.06021	100.0
147.06323	0.8
149.02371	1.8
155.06107	0.8
159.07945	0.5
159.09175	11.4
160.07628	1.2
170.06027	7.9
185.82310	0.5
188.07077	82.0
189.07434	1.3
205.09903	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.2
55.05512	0.7
56.96563	1.1
57.03442	1.5
57.07075	1.0
58.06586	0.9
58.99865	0.7
60.04530	1.1
60.05661	0.7
61.01140	0.8
61.02921	2.0
63.92934	1.9
69.03436	1.6
69.34651	5.0
70.06600	4.6
72.08150	2.3
73.02908	2.8
78.95287	5.1
81.03397	0.8
82.01457	4.5
82.06582	1.0
82.99836	1.0
84.04507	0.9
84.08138	2.1
84.99588	0.7
85.01409	0.8
85.02901	1.7
85.08511	0.6
86.09711	2.6
94.99846	1.9
97.02891	1.8
98.20794	1.2
98.97595	1.3
100.02506	5.2
101.00887	6.2
103.00661	6.8
103.01312	1.1
105.02190	1.2
105.04517	0.9
110.07158	0.7
113.00877	25.9
115.00602	1.0
115.02416	1.8
116.07099	1.4
117.02142	0.6
118.03527	1.5
119.01937	11.1
119.97901	4.7
120.02034	1.2
120.08106	1.3
121.01683	10.3
121.02467	1.1
121.06559	0.6
122.94227	1.9
123.02134	0.9
125.26514	0.7
127.03956	0.8
128.07085	0.8
131.01920	76.8
132.02029	2.0
133.00772	0.6
133.01675	2.9
133.03477	2.8
135.03195	2.5
135.04140	0.7
136.02441	8.6
137.02968	1.9
138.03056	0.7
139.02661	1.3
140.95270	3.1
141.10243	1.0
143.01884	1.4
145.01630	4.2
145.03435	1.5
149.03056	14.3
153.04221	1.3
154.03510	100.0
155.03667	1.8
157.01653	0.9
157.03423	1.0
158.09334	0.8
158.96255	3.3
159.01407	1.5
159.03224	1.3
159.05096	0.7
161.02939	2.1
163.02757	7.0
163.04538	1.1
163.96846	7.0
171.01404	1.0
172.04570	26.3
175.02736	1.8
175.04692	0.6
175.11911	1.9
177.00720	0.8
177.02507	0.7
181.03770	1.1
181.97797	5.4
182.03012	6.4
182.06622	1.2
188.04500	0.7
189.02461	0.7
193.03876	2.2
200.04042	5.3
200.07693	0.7
201.02483	1.4
205.00150	0.7
205.01974	0.7
205.05721	4.6
218.05243	0.8
223.05809	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1597
Annotation	L-2-amino-8-hydroxydecanoate
Peak:m/z	Relative Intensity
53.03943	1.0
55.05519	6.2
56.05022	3.4
57.03424	1.7
57.07060	1.5
60.04530	14.6
61.01131	1.5
65.03939	1.0
67.05509	32.6
68.05032	1.9
68.95510	0.8
69.03416	1.2
69.07072	9.0
70.06599	15.0
70.29620	2.8
71.04654	1.0
71.04997	9.8
72.08132	0.9
74.09714	3.2
75.10049	1.5
79.05495	5.1
81.07063	25.9
82.06554	1.2
83.04959	2.3
83.08608	1.4
84.04517	5.9
84.08149	22.6
85.02885	2.8
85.04838	2.5
85.06551	4.4
91.05484	14.3
93.07043	4.5
94.06577	1.0
95.04939	1.2
95.06086	2.7
95.08599	2.0
96.04478	2.5
97.02883	3.0
97.06464	0.7
98.21558	0.9
98.88081	0.9
99.04446	1.5
105.07032	13.1
107.07977	1.1
107.08605	13.2
109.06494	3.7
109.10163	35.5
110.06028	1.6
113.05988	2.1
114.05471	1.3
121.10122	2.3
123.11680	4.0
124.11250	1.1
126.00714	0.9
126.05527	3.8
130.05026	0.8
131.05313	1.8
131.08571	0.8
133.10138	24.8
138.05486	1.2
149.02274	2.5
150.12770	2.6
151.11185	8.2
156.06540	1.4
158.13725	1.7
168.06535	1.1
168.13846	30.8
172.93448	1.5
186.05717	0.9
186.14906	100.0
187.11578	3.9
190.94513	1.6
199.84689	0.9
204.05043	1.1
204.06831	1.3
204.08614	3.1
204.11853	0.8
204.13905	5.4
204.15923	28.8
205.09801	0.9
208.17728	0.8
209.93427	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1797
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03938	1.9
55.01865	1.3
55.05513	11.8
56.96565	5.4
57.07078	5.4
60.04535	9.6
65.03947	1.1
67.05180	1.5
67.05508	16.2
68.05019	1.7
69.03425	2.0
69.07072	14.2
70.06567	1.2
71.08633	1.0
71.50708	0.9
71.51045	1.1
79.05502	12.5
81.03382	1.2
81.07063	36.8
83.04971	1.2
83.08631	5.6
84.04504	7.4
85.02898	2.0
91.05484	23.1
93.07050	21.9
95.04965	1.8
95.08613	42.9
96.04491	4.9
97.02908	4.4
97.52811	1.2
103.05505	1.4
105.07038	100.0
107.08604	24.4
109.10164	29.7
109.10704	0.6
114.05527	2.0
115.05480	1.0
117.07006	4.5
119.08589	55.8
121.06554	1.1
121.10152	20.2
123.08116	1.0
123.11719	5.9
126.05533	7.4
127.03889	1.5
128.06253	1.2
129.07039	2.9
130.07666	0.9
131.00166	2.7
131.08560	7.5
133.09137	2.3
133.10139	45.5
135.11700	5.3
138.05508	1.2
142.07780	2.1
143.08556	2.5
144.06595	1.5
145.06499	1.2
145.10097	7.4
147.08089	1.8
147.11697	66.6
149.01230	5.6
157.10162	3.9
159.08049	1.4
159.11705	6.0
160.12442	1.9
161.09622	4.4
161.13277	25.6
162.13335	1.1
167.02242	2.0
168.06619	1.2
170.10915	1.6
172.93500	1.4
173.88866	0.9
174.13876	1.0
175.11206	2.1
175.14818	9.7
185.09773	1.1
185.13248	1.9
203.05330	1.1
203.06837	1.5
203.08551	1.6
203.10565	4.7
203.14381	14.4
203.17975	76.4
204.08676	3.8
204.13878	7.0
204.18196	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	203.1796
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
55.05518	5.8
57.07058	1.2
60.04519	2.8
61.69856	1.2
65.61136	1.2
67.05511	18.1
68.05045	1.5
69.07064	9.7
71.51560	1.6
78.62887	1.0
79.05485	11.5
81.05740	1.1
81.07062	32.9
84.04498	4.4
91.05486	15.0
93.07045	18.5
95.06118	1.1
95.08611	63.4
96.04492	2.1
96.08922	1.1
97.02895	3.1
97.10159	1.8
105.07034	41.7
107.08595	36.2
109.10166	29.8
114.05542	1.8
117.07034	1.5
119.08584	32.0
121.10146	20.1
123.11710	4.8
126.05494	5.3
131.08559	2.5
131.73714	1.2
133.10146	30.7
135.11708	5.9
143.08527	1.7
145.10146	3.7
147.08041	1.2
147.11694	50.4
148.46126	1.2
159.11732	2.8
160.12199	1.1
161.13277	14.3
175.14854	6.7
203.10588	2.4
203.14296	4.6
203.17972	100.0
204.08684	3.4
204.13902	2.5
204.18277	2.4
224.39313	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1797
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
51.98642	0.9
53.03949	1.3
55.05518	11.0
57.07071	4.1
67.05513	15.5
69.07082	9.1
69.46877	6.5
71.08636	1.4
79.05502	11.0
81.07063	44.9
82.56104	0.9
83.08623	5.1
91.05477	15.2
93.07053	17.7
95.08615	43.5
95.55199	0.9
97.10178	2.8
98.33473	0.9
103.05441	1.2
105.07042	57.9
107.08604	26.7
109.10168	27.0
117.07019	2.7
118.07759	1.0
119.08592	74.2
121.09341	1.4
121.10157	17.6
123.11698	5.1
129.06947	1.0
131.08563	8.0
133.10143	53.2
135.11716	7.8
145.10126	6.8
146.10887	3.4
147.11700	76.2
151.83511	1.0
159.11711	5.3
160.12532	1.5
161.13284	21.2
174.14055	4.4
175.14859	12.7
190.91225	1.0
203.17978	100.0
203.21983	3.7
204.18274	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1797
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
51.47157	1.1
53.03946	2.0
53.64243	0.9
55.05301	1.0
55.05515	9.6
56.12496	0.9
57.07066	2.6
58.51844	0.9
60.04522	3.9
64.57300	1.0
65.92184	0.8
67.05511	20.0
69.03411	0.9
69.07075	11.3
71.50261	1.3
79.05500	12.9
81.06591	2.1
81.07068	39.7
82.68626	1.0
83.08631	5.2
84.04515	1.5
85.02885	1.0
86.31635	1.1
91.05488	16.9
93.07057	21.9
95.05034	1.1
95.08619	57.7
97.10183	1.1
105.07040	50.2
107.05023	1.0
107.08608	47.0
109.06522	1.5
109.10167	39.4
117.07040	3.8
119.08596	52.9
121.06571	1.2
121.09341	1.9
121.10160	24.8
123.11695	7.1
126.05560	1.5
128.06268	1.1
129.07016	1.8
131.08595	4.3
133.10146	41.4
135.08035	1.0
135.11678	6.3
142.07773	1.9
143.08591	3.2
145.10141	6.6
147.08081	1.7
147.11705	62.4
157.10135	1.6
159.11757	6.7
159.12846	1.1
160.12463	1.5
161.09698	5.0
161.13290	21.7
174.14018	2.3
175.11197	2.0
175.14859	15.1
185.13301	3.6
203.07089	1.1
203.10593	1.8
203.14458	10.4
203.17990	100.0
204.08684	1.8
204.13834	1.5
204.18332	3.0
221.64331	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1433
Annotation	Penidienone
Peak:m/z	Relative Intensity
52.31845	1.3
53.03952	9.0
55.01870	8.5
55.05516	13.6
56.05029	1.9
57.03416	2.0
57.07070	3.1
58.06594	2.4
60.04531	12.9
65.03948	3.0
67.05514	18.1
69.03413	4.9
69.07072	9.9
69.60535	11.4
70.06590	6.8
71.04999	12.6
72.08138	7.1
73.83352	1.8
79.05502	26.2
80.04958	1.7
81.03390	2.2
81.07059	45.5
83.04964	4.4
83.08595	4.5
84.04496	4.4
84.08154	11.8
86.09696	6.3
91.05487	60.4
93.07050	95.8
95.04984	20.9
95.08610	31.3
96.04475	2.4
97.02866	2.9
97.06536	3.9
98.20810	3.1
103.05473	4.0
104.05798	2.5
105.04523	3.6
105.07040	79.7
106.07319	1.9
107.04945	3.7
107.08614	24.5
109.06527	27.2
109.10162	13.0
111.08099	12.1
112.11237	15.6
115.05436	6.5
116.06224	2.3
117.07040	23.3
119.04942	6.8
119.06062	1.8
119.08593	51.7
120.08866	1.8
121.06514	73.8
121.10122	12.6
123.08060	5.9
123.11687	4.4
126.05523	4.0
128.06233	10.8
129.07005	19.6
129.13887	11.9
130.06514	2.1
130.07784	9.4
131.04930	9.2
131.08580	20.3
132.05254	15.2
132.10210	1.6
133.06483	5.4
133.10141	31.5
135.08052	7.0
135.11711	3.5
141.07062	2.5
142.07817	12.6
143.01863	2.1
143.08577	37.6
143.10648	3.5
144.09305	6.3
144.11000	7.1
145.06537	2.8
145.10138	69.4
147.08067	27.3
147.11691	26.0
148.08844	2.3
155.08519	3.1
156.09328	5.4
157.07651	4.1
157.10143	32.2
159.08034	3.2
159.11690	32.4
160.05118	1.9
160.12437	3.1
161.09666	17.9
161.13277	27.6
168.15421	1.9
170.10876	9.1
172.93437	2.4
175.07538	4.3
175.11226	8.6
175.14790	7.0
185.05882	2.1
185.09612	4.0
185.13275	27.1
190.94551	3.3
203.05345	2.7
203.07028	5.8
203.08578	4.1
203.10603	9.4
203.12662	6.6
203.14326	100.0
203.17989	23.3
203.22270	2.4
204.08589	2.1
204.13747	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	203.1393
Annotation	H-Ala-Ile-OH
Peak:m/z	Relative Intensity
56.05031	0.8
56.96574	1.5
60.04522	2.9
62.37144	0.7
65.88873	0.7
69.03414	0.7
69.07083	0.9
70.06606	1.7
70.84834	1.2
72.08170	1.5
74.06083	1.1
77.36524	0.6
83.75840	0.6
84.04523	1.4
84.08160	3.9
84.47607	0.8
86.09714	100.0
87.10052	1.2
91.59493	0.6
98.97611	2.0
99.18671	0.8
99.23531	0.9
105.88569	0.6
110.07159	0.9
112.11271	3.2
120.08140	2.0
126.00739	0.9
129.13904	1.9
132.10219	68.9
157.13370	7.5
158.11798	2.9
164.03041	0.7
170.51190	0.7
190.83144	0.7
203.05380	1.2
203.13893	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	203.0527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34127	1.8
58.06600	9.3
59.07387	3.4
63.00065	1.8
68.50735	1.8
69.79679	11.0
70.06601	17.3
71.06116	2.5
73.38128	2.0
74.09723	5.9
77.92295	2.4
78.95609	2.1
79.45803	2.0
85.69821	1.8
86.09689	2.7
88.08757	7.2
94.93024	8.1
96.86291	2.1
101.00893	11.3
101.24013	2.0
116.07107	6.4
119.01930	12.2
121.01632	2.0
124.78420	1.8
128.12103	2.0
139.82419	2.1
143.01932	9.3
161.02965	18.3
172.16461	2.0
177.07129	2.5
203.05296	100.0
203.14998	11.9
221.06290	18.1
221.08192	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	203.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	2.0
57.03427	1.8
58.99860	1.4
69.03408	1.1
69.07059	3.2
70.06593	8.7
70.73978	2.1
70.99843	2.1
71.06103	1.6
72.08144	2.2
82.99837	15.1
84.08129	2.3
84.99587	1.2
85.02937	1.1
86.09709	42.0
87.05148	0.9
88.08752	2.2
97.02911	1.2
97.12270	1.0
98.21532	1.1
98.97587	2.9
101.00890	93.2
102.00990	2.1
103.00655	8.3
103.02406	1.8
111.00421	1.7
113.00879	6.6
115.02439	16.3
116.07098	2.8
117.03978	1.2
119.01928	100.0
120.02058	3.4
121.01668	14.0
131.01920	16.0
132.06342	1.0
133.03479	91.3
134.03604	2.0
135.03217	5.9
137.02960	11.8
139.02571	1.2
142.03479	1.5
143.01906	33.2
143.03662	1.7
143.08098	1.6
145.03484	1.5
149.02985	7.9
151.04536	19.3
151.14015	1.1
153.04260	1.3
155.01939	1.7
157.03490	2.9
158.12895	1.1
161.02972	66.9
162.03038	1.4
169.81311	1.0
173.02971	47.2
175.04446	2.3
179.04001	4.6
179.85680	1.0
184.04611	1.1
185.03004	3.3
185.04695	2.3
185.06549	1.2
191.04027	74.0
192.04207	1.7
195.05449	1.2
203.02133	1.1
203.03952	23.8
203.05481	2.7
203.07741	2.5
203.15096	3.9
221.03319	1.4
221.05069	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	203.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07702	0.6
58.99861	1.5
63.84403	0.7
70.66436	2.3
82.01449	36.3
82.99857	3.3
84.08152	1.9
100.02489	59.3
101.00887	43.1
101.02535	1.1
102.00960	6.8
103.00635	3.1
117.91467	0.7
118.03525	16.7
118.04328	1.3
118.71606	0.8
119.01927	100.0
120.02006	14.8
121.01643	5.5
124.02485	1.6
125.02621	0.9
131.01953	1.8
133.03477	1.1
137.02979	18.4
137.04036	1.1
138.03073	3.4
138.96432	1.2
142.03510	11.9
143.01903	4.0
143.03613	8.7
144.03256	2.6
145.03593	0.9
151.53246	0.8
156.97523	3.1
157.03432	4.0
160.04539	2.2
160.99667	1.0
161.02965	22.0
161.04468	1.1
161.04747	1.5
161.13295	0.7
161.96997	1.5
162.03099	3.5
162.04318	1.3
167.98763	0.7
173.02959	0.9
174.98593	1.8
177.00983	2.4
178.01114	1.5
178.49635	1.7
179.00739	3.4
179.04013	17.3
179.48711	1.1
179.98058	21.2
180.00813	1.7
180.03947	3.5
185.02972	0.7
187.99289	1.1
188.49425	1.2
188.99237	1.6
190.49583	2.9
190.99599	2.3
191.49397	3.8
191.99565	1.0
196.94550	1.1
197.99179	39.8
198.87955	0.9
198.99484	1.1
199.50076	2.0
200.00151	4.7
200.49973	7.2
201.00076	1.6
203.04012	1.9
208.57803	0.9
214.95576	1.6
215.95636	0.9
221.01813	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	202.1229
Annotation	Leptomerine
Peak:m/z	Relative Intensity
51.02160	0.2
51.02375	0.2
53.03949	0.3
55.01875	1.6
55.05515	1.8
55.23780	0.1
56.05043	0.3
59.45433	0.1
60.04517	0.8
68.05018	0.2
69.03467	0.2
69.07059	0.8
69.23217	0.9
69.23643	0.6
70.06601	1.5
71.05003	0.2
72.08158	2.9
72.41858	0.2
77.03937	0.3
78.79796	0.1
79.05502	0.3
81.07069	0.3
82.07309	0.2
84.04541	0.2
84.08145	1.5
86.09687	1.2
87.10046	0.3
88.03999	0.6
91.05463	0.3
95.04955	0.2
97.06530	2.2
98.06063	0.6
98.21549	0.4
98.97590	0.2
103.05470	18.8
104.05798	0.3
105.07030	0.4
106.05019	0.5
110.06104	0.2
111.04446	0.2
112.11277	0.2
114.95665	0.2
130.06506	0.2
131.04932	100.0
132.05270	1.2
146.10495	0.2
148.07568	1.4
160.07518	0.3
170.06009	0.2
174.05453	0.2
174.13339	0.2
179.07950	0.2
184.07362	0.2
184.09602	0.2
184.13394	0.2
197.01263	0.2
202.12271	24.2
202.18092	0.5
203.12534	0.4
203.14343	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.1228
Annotation	Leptomerine
Peak:m/z	Relative Intensity
50.78208	0.1
51.02383	0.2
51.20750	0.1
53.03944	0.2
55.05510	1.7
62.22644	0.1
63.02393	0.1
70.06620	0.2
70.87409	0.2
72.08152	1.0
77.03942	0.4
83.30005	0.1
83.77206	0.1
84.08144	0.4
86.09690	0.2
87.10049	0.3
95.04970	0.2
98.06030	0.2
103.05469	17.2
104.05774	0.2
105.07033	0.2
110.55383	0.1
130.06567	0.2
131.04932	100.0
132.05255	1.1
132.08942	0.2
148.07545	1.3
160.07480	0.6
170.06036	0.2
174.13545	0.2
202.12270	31.6
203.12595	0.4
203.14308	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	202.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46910	1.3
60.06386	1.4
61.30312	1.2
65.59968	1.4
69.30405	1.2
70.15948	5.1
73.93056	1.5
81.12617	1.6
82.99844	3.8
86.24076	1.4
101.00890	44.6
114.95647	5.0
119.01930	100.0
120.01995	2.6
124.02459	2.3
132.96706	3.1
137.02971	18.4
140.00810	5.2
141.50903	1.8
142.03510	35.5
143.01912	3.8
149.01263	3.0
151.51567	3.6
152.01540	1.5
160.04533	7.4
160.52072	2.0
161.02971	26.3
174.68062	1.3
178.01073	1.7
179.00787	1.9
179.04027	31.3
184.04573	2.2
197.01154	1.5
202.05626	2.0
220.02202	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	202.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33307	0.6
55.01894	1.9
55.05521	1.5
56.05048	1.4
56.96571	1.4
57.03444	1.5
58.06606	9.2
58.99878	1.0
59.07393	2.6
60.05675	1.0
60.95876	0.8
67.05515	1.1
69.03422	0.8
69.07085	1.8
70.06602	7.0
70.41990	1.4
72.08167	5.5
72.99616	1.0
73.02945	1.5
74.09724	7.7
79.05504	0.9
81.03394	0.8
82.99840	3.4
83.03257	0.6
83.04990	0.7
83.99884	4.7
84.01190	3.6
84.04513	1.5
84.08148	12.9
84.99603	1.0
85.02911	1.4
86.09708	9.8
88.04015	0.7
91.99870	0.6
96.99574	0.8
97.02920	0.8
97.06530	1.1
98.97578	2.0
100.02504	1.9
101.00889	39.2
101.02341	1.1
102.00954	45.6
102.02254	3.2
102.04060	5.1
102.09200	1.5
103.00648	11.9
103.01295	0.9
103.02447	0.9
107.08570	1.4
112.08660	1.0
112.11244	2.9
113.00880	4.6
113.06013	0.8
113.69960	0.7
114.00951	9.7
115.00637	4.4
115.01334	1.1
115.02428	2.1
116.02090	0.6
116.02615	0.9
116.03815	1.1
117.02133	1.4
118.03543	1.6
119.01931	63.9
120.02013	100.0
120.05058	4.5
121.01679	18.5
121.02330	0.7
121.10152	0.8
124.02490	0.9
125.02619	1.9
125.06036	0.8
128.07048	0.9
128.10677	1.5
129.10188	1.3
129.13864	1.4
130.08604	0.9
131.01913	13.7
132.02016	34.6
133.01656	12.8
133.03448	8.3
134.03587	15.2
135.03206	4.5
137.02940	12.1
138.02022	1.1
138.03065	17.6
139.02658	3.3
139.11105	0.7
142.01756	0.9
142.03502	10.8
142.04735	0.7
142.05054	0.6
142.08589	0.8
143.01846	3.4
143.03629	1.4
144.03241	0.9
145.03473	0.9
146.03526	2.8
149.02966	2.8
150.03094	8.2
151.02672	5.1
151.04555	1.8
152.03464	0.8
152.04605	4.1
153.04285	1.4
155.01854	1.1
156.02078	1.2
156.03246	6.3
156.05054	4.4
156.97472	1.2
157.03482	1.5
158.03032	0.7
158.04787	1.1
158.06691	0.8
158.08397	1.1
160.01515	1.1
160.02785	1.5
160.04541	3.0
160.06354	3.0
161.01172	1.7
161.02966	15.0
162.03148	1.0
164.04633	1.1
170.01111	1.0
173.02980	3.5
174.03088	14.0
174.04369	0.9
174.06120	4.4
174.98547	0.7
175.02646	1.3
175.04588	1.4
175.11949	2.0
176.04764	3.3
176.09451	3.6
177.02477	1.4
178.01065	1.0
178.02585	1.6
178.07375	6.1
179.02177	7.9
179.03972	9.2
179.99080	1.1
184.01355	0.9
184.02733	5.3
184.04532	4.1
184.13300	1.3
185.02904	1.6
191.04021	3.8
192.04135	10.1
193.03748	2.0
193.06169	1.4
194.05519	1.3
197.03175	3.1
202.02530	62.0
202.05591	5.1
202.07423	13.3
202.10599	1.4
202.14442	5.7
202.17978	1.8
203.02238	8.9
203.03926	1.3
215.04039	1.2
220.03664	50.1
220.08414	11.2
221.01645	0.7
221.03284	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	201.1639
Annotation	ar-Tenuifolene
Peak:m/z	Relative Intensity
53.03931	0.9
55.05522	4.3
57.03447	0.7
57.07071	0.8
62.97462	0.6
65.03925	0.8
67.05511	9.9
69.07050	3.1
70.83296	0.7
71.50184	0.9
79.05502	10.3
81.03437	1.1
81.07065	16.0
83.08616	1.5
91.05484	18.6
93.07053	8.6
95.04960	2.0
95.08621	7.8
96.08192	0.7
103.05494	1.2
105.07037	19.3
107.08612	7.0
109.06525	0.8
109.10153	2.9
111.04402	0.9
114.95671	1.0
115.05454	1.7
116.06210	1.8
117.07019	19.0
118.96775	3.4
119.08590	16.9
121.10183	3.9
123.11758	0.9
127.03922	2.2
129.06979	3.5
130.07800	1.9
131.08578	44.1
133.10139	20.9
133.66788	0.6
133.99068	1.2
135.11681	0.8
141.07031	1.1
143.08569	3.0
144.09340	2.0
145.06560	1.3
145.10132	35.1
147.11653	2.2
154.96507	0.9
155.08621	1.1
157.10123	3.9
158.07245	0.8
158.10905	2.2
159.08095	1.4
159.11700	31.9
159.97058	0.7
160.12250	1.0
171.11740	1.6
172.12473	2.7
173.09666	0.9
173.13264	15.9
173.14713	1.1
173.32890	0.6
177.98096	2.4
183.11922	0.8
186.10365	0.9
199.14908	1.0
201.09171	2.0
201.12743	6.0
201.16396	100.0
202.16782	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	201.164
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03931	1.4
55.05528	3.1
55.05731	0.6
56.69123	0.7
57.07060	2.7
65.03927	0.8
65.13470	0.7
67.05515	5.7
67.30725	0.6
69.07068	4.2
70.06592	0.9
71.08638	1.0
71.40830	0.6
71.50117	1.0
79.05503	9.2
81.07067	17.2
83.08604	1.6
91.05484	13.6
93.07059	13.3
95.04941	0.9
95.08617	11.9
98.97588	1.0
105.07042	28.0
107.08607	15.2
109.10142	3.6
115.05453	2.0
116.06261	0.9
117.07029	12.2
118.96754	3.5
119.08591	19.4
121.10165	7.0
127.03947	1.7
128.06241	1.1
129.06992	3.3
130.07816	4.9
131.08586	37.0
133.10143	11.9
137.05959	0.9
138.61946	0.6
141.06992	1.1
142.07770	0.7
143.08575	5.7
144.09355	4.4
145.10136	74.5
146.10788	1.6
147.11642	1.4
154.96432	1.2
155.08514	0.9
157.10136	5.7
158.10934	2.5
159.11711	53.9
160.12082	1.6
171.11665	2.1
172.12439	2.1
173.13292	15.4
177.98091	1.8
183.06650	0.7
183.11842	1.5
186.10403	1.1
186.14059	2.0
199.14922	1.3
201.09186	1.8
201.12910	6.2
201.16402	100.0
202.16748	2.6
204.63982	0.7
220.53673	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1639
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03944	0.8
55.05509	3.6
57.03439	1.1
57.07070	1.9
61.67934	0.7
67.05509	5.4
69.07060	3.1
69.25442	1.4
69.25844	5.9
71.70277	0.7
72.76589	0.7
73.85879	0.6
74.78176	0.8
79.05499	7.3
81.07064	12.3
83.08620	1.1
88.45832	0.8
91.05492	9.9
93.07051	11.3
95.04962	1.0
95.08616	11.0
103.05486	0.8
105.07037	22.0
105.91567	0.8
107.08603	13.9
109.06480	1.1
109.10165	3.0
111.92870	0.8
114.05578	0.9
115.05447	1.4
116.06271	1.1
117.07014	13.2
119.08599	14.7
121.10153	6.5
129.07004	3.0
130.07797	4.0
131.08582	26.6
133.10146	9.9
142.07884	0.8
143.08566	3.4
144.09392	4.7
145.10138	65.4
146.10867	2.4
147.11679	1.5
155.08493	1.8
157.10161	4.7
158.10905	2.5
159.08093	1.3
159.11705	46.3
161.08124	0.8
169.97284	0.8
171.11705	2.8
172.12497	2.0
173.13289	15.2
183.11763	0.9
186.14035	2.2
197.66353	0.8
199.14832	1.2
201.12802	4.8
201.16399	100.0
202.16751	3.0
215.01131	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	alpha-Corocalene
Peak:m/z	Relative Intensity
53.03949	0.7
55.05504	3.6
57.03445	0.4
57.07074	1.8
65.03940	0.5
67.05508	4.1
69.03439	1.2
69.07072	3.6
70.53994	1.1
71.08632	1.3
77.03949	0.5
79.05488	6.0
81.03403	0.4
81.07055	13.1
83.04987	0.6
83.08607	0.6
85.02928	0.4
90.30016	0.4
91.05481	8.7
93.07043	11.9
95.04979	1.4
95.08607	12.8
97.06554	0.6
105.04498	0.4
105.07030	21.2
106.07360	0.4
107.08594	14.4
109.02864	0.6
109.06573	0.5
109.10146	3.5
111.04433	0.4
115.05474	1.0
116.06253	0.8
117.07018	9.2
118.96796	0.4
119.06067	0.4
119.08578	16.2
121.10143	6.0
127.03914	0.7
128.06184	1.0
129.06999	2.8
130.07794	4.9
131.08571	27.8
132.08913	0.4
133.10133	12.2
137.05956	0.5
142.07742	0.4
143.08553	5.1
144.09334	5.3
145.10121	68.0
146.10954	3.3
147.11658	1.3
155.08553	0.4
157.10126	4.8
158.10915	2.6
159.11694	53.5
160.12213	1.6
168.09311	0.4
171.11708	2.2
172.12447	1.7
173.13268	15.7
174.13605	0.5
183.11714	0.8
186.10382	0.6
186.13983	1.9
199.14769	0.9
201.12691	2.6
201.16380	100.0
202.16701	2.9
202.21631	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	201.1641
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03964	1.0
53.11252	0.7
55.05519	3.5
56.96566	0.8
57.03428	1.3
57.07068	1.8
58.63582	0.7
62.39613	0.7
67.05515	9.1
69.03414	0.7
69.07084	5.5
69.42731	0.6
69.83707	3.2
71.05010	1.4
71.08616	1.0
79.05499	7.7
81.03408	0.9
81.06591	1.2
81.07070	19.6
83.08595	1.4
84.08172	1.0
85.02897	0.8
86.09743	0.9
87.04520	0.8
91.05480	13.2
91.99955	0.7
93.07050	14.4
93.30878	0.8
95.08064	1.2
95.08627	17.4
103.05457	0.8
105.07040	27.3
107.08605	19.4
108.08952	0.9
109.06532	1.1
109.10162	5.4
115.05476	1.9
116.06194	0.9
117.07034	12.0
118.96755	2.1
119.08597	18.1
121.10151	9.0
127.03902	2.6
128.06239	1.4
129.05478	0.8
129.07004	4.4
130.07799	5.4
130.17946	0.7
131.08591	30.5
133.10156	10.9
133.12573	0.8
137.05981	1.4
141.06990	0.9
142.07745	1.4
143.08591	6.4
144.09338	5.7
145.10143	75.8
146.10811	3.0
147.11743	2.1
155.08655	1.5
157.10147	7.6
158.10896	3.0
159.08046	1.5
159.11713	62.6
160.12105	1.8
168.09328	0.8
171.11694	2.9
172.12453	2.6
173.09782	0.8
173.13278	17.4
176.62305	0.9
177.98114	1.2
183.11661	1.8
186.14049	1.7
199.14825	1.8
201.09074	1.3
201.12813	7.3
201.16408	100.0
202.16724	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	201.1638
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
52.71326	0.6
55.05506	2.1
57.07066	1.9
66.33648	0.6
67.05502	4.4
69.07074	3.6
71.08639	0.9
76.63715	0.6
77.03915	0.7
79.05509	5.7
81.07064	12.4
91.05487	9.9
93.07049	11.3
95.08615	10.6
98.08487	0.8
98.21626	1.0
105.07040	24.3
107.08611	14.6
109.10166	3.6
115.05460	1.5
116.06225	0.7
117.07019	12.5
119.08595	18.4
120.09007	0.7
121.10150	5.9
124.72539	0.7
128.06215	1.4
129.07036	3.8
130.07785	6.1
131.08575	31.9
133.10130	10.9
143.08604	4.8
144.09355	5.6
145.10132	75.5
146.10822	3.0
147.11650	1.4
157.10138	5.5
158.10931	4.3
159.11705	55.2
160.12160	1.1
171.11665	2.9
172.12517	2.4
173.13264	18.3
186.14029	2.4
199.14882	1.6
201.16396	100.0
202.16736	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	201.1278
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
53.03940	1.2
55.01847	1.8
55.05515	4.8
56.96569	4.4
57.03418	2.1
57.07064	2.6
59.04992	1.6
59.93105	0.9
63.02370	6.0
65.03956	0.6
67.05515	6.0
69.03428	1.7
69.07075	4.6
70.06597	4.1
71.04979	2.3
71.49156	0.6
71.49544	1.0
72.08159	1.9
73.02906	1.9
77.81311	0.6
79.05109	0.6
79.05506	5.4
81.03423	1.0
81.07065	11.4
82.06525	0.6
83.04959	1.2
83.08614	1.5
84.08147	3.4
85.02894	1.1
85.06530	2.4
86.09711	11.5
87.04441	1.4
87.10036	1.1
88.03992	0.7
89.03925	26.1
91.05491	16.0
93.07053	5.5
94.55520	0.5
95.04985	2.9
95.06090	0.7
95.08611	5.4
96.08115	1.6
96.80028	0.6
98.02411	2.2
98.97602	3.0
99.04460	0.9
100.03975	1.2
100.07632	5.5
103.05453	2.2
104.28316	0.6
105.03428	0.8
105.07034	17.1
107.04951	1.0
107.08592	4.9
109.06479	1.8
109.10181	1.9
110.09690	0.7
113.05996	0.8
113.10784	0.7
114.95634	0.7
115.05463	6.9
116.06277	3.0
116.06998	0.8
116.98542	1.5
117.07028	19.6
118.08668	1.7
118.96756	5.4
119.04982	0.9
119.08585	12.0
121.06507	1.2
121.10138	1.9
123.04432	1.0
123.11703	2.1
127.03953	3.7
128.06219	5.8
129.07010	12.0
130.07787	4.4
131.04939	7.7
131.08578	43.7
132.08882	0.8
133.10132	3.9
133.99103	1.3
137.05994	2.1
137.09564	0.6
138.09129	1.0
141.05521	1.0
141.06985	6.1
141.10225	2.8
142.07805	7.0
143.08571	23.7
144.05795	1.3
144.09367	12.8
145.04225	0.7
145.06488	5.9
145.10138	36.0
146.10776	0.9
147.11662	0.7
153.06990	4.3
154.96515	1.7
155.06024	1.1
155.07201	1.2
155.08551	10.0
156.08063	0.8
156.09158	1.1
156.10217	2.2
157.06413	0.9
157.10138	9.1
158.03593	1.2
158.07263	2.4
158.10916	17.2
159.08078	12.1
159.11708	51.1
160.11974	0.6
165.05444	1.2
167.08601	0.8
168.09375	9.8
169.05228	0.8
169.06511	1.6
171.08017	1.5
171.11699	2.4
172.08821	1.5
173.05998	2.9
173.09662	6.5
173.13277	44.4
175.11894	0.9
177.00682	0.9
177.98062	4.4
183.08197	1.0
183.10083	1.1
183.11714	21.4
186.03131	0.8
186.06786	2.5
186.10425	3.2
186.14104	0.9
201.05431	7.0
201.09099	11.2
201.12759	100.0
201.16388	27.6
202.12294	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	201.1277
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
53.03948	0.7
55.05513	4.3
55.16625	0.5
57.03415	1.8
57.07064	1.0
62.18383	0.6
67.05515	3.1
69.03425	0.7
69.07066	1.9
70.06617	1.1
71.04977	1.1
71.30138	1.0
72.08139	0.5
75.26659	0.5
78.99277	0.6
79.05513	3.3
81.03392	0.6
81.07058	5.8
84.08147	1.4
86.09706	1.8
91.05487	19.6
93.07060	4.4
95.04960	1.8
95.08611	4.2
103.05470	1.0
105.07036	9.6
107.04957	1.1
107.08613	3.7
109.06490	1.0
109.10182	1.1
115.05466	6.0
116.06240	3.4
116.19527	0.6
117.07025	22.5
118.96812	1.3
119.08582	6.2
121.06508	0.8
121.10159	1.8
123.11744	0.6
127.03860	1.5
128.06245	6.1
129.07013	72.4
130.07742	2.1
131.08574	72.3
133.10123	3.3
137.05952	0.7
141.06992	14.9
142.07788	11.0
143.08546	6.4
144.09325	2.0
145.06525	4.2
145.10132	43.1
146.10448	0.6
147.07967	1.3
151.50130	0.6
153.07010	1.6
154.07791	1.0
154.96397	0.8
155.08563	19.8
156.10287	0.9
157.10138	46.1
158.10771	1.7
159.08083	8.7
159.11702	28.8
168.09404	3.9
171.08051	0.6
171.11707	1.6
172.08865	0.9
172.12495	1.1
173.09634	2.5
173.13255	12.3
177.98166	1.3
183.11708	26.2
186.10350	0.9
201.05367	1.4
201.12759	100.0
201.16402	21.6
202.13075	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	201.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21220	0.6
55.01868	0.7
55.05508	1.1
56.05030	0.8
56.96570	0.5
58.06590	1.0
59.93095	0.6
62.17440	0.5
66.58705	0.6
67.05537	0.7
69.03439	0.9
69.07074	18.0
70.00234	2.6
70.02959	2.1
70.06590	5.5
70.99841	0.6
72.08155	2.4
73.02937	1.1
73.04063	0.7
74.09726	0.8
78.82771	0.5
82.99839	7.2
83.05000	0.6
84.04501	1.6
84.08152	3.2
85.04028	2.2
86.09714	43.0
88.04007	11.1
93.07053	0.9
96.08141	10.9
98.02422	6.2
98.20849	0.9
98.97609	1.3
100.04002	0.7
101.00892	55.6
102.00973	2.2
102.09443	0.5
103.00682	0.6
108.08125	1.1
110.09679	2.7
112.08772	0.6
112.11284	0.8
113.00865	3.0
113.10789	2.3
114.05541	1.0
115.00728	0.6
115.02433	4.6
115.04024	0.7
115.05019	1.0
115.08640	0.5
116.07092	0.6
116.98619	1.1
118.96771	1.4
119.01931	100.0
120.02005	3.2
121.01641	1.1
127.03926	0.8
128.10713	0.5
131.01913	11.1
132.02121	0.7
133.03484	49.1
134.03604	1.2
137.02969	15.5
137.06018	0.9
137.30984	0.6
138.03137	0.6
138.09167	2.6
141.10263	9.4
142.03542	1.2
142.04967	0.5
142.08656	2.3
143.01883	0.7
145.03497	1.6
145.10191	0.6
149.02980	2.2
151.04538	15.4
151.05687	1.1
152.04604	0.9
155.11816	0.8
156.10226	20.6
157.03607	0.9
158.97330	0.5
159.01448	0.7
160.01530	1.0
161.02998	1.5
162.76125	0.5
170.69737	0.5
173.02989	3.8
173.12874	1.3
175.04552	11.0
176.98294	0.6
177.02509	1.4
177.07796	0.6
177.98079	1.2
178.02658	1.3
183.01428	0.8
183.03104	0.7
183.11340	1.5
184.09740	1.6
191.04028	3.0
193.05635	2.7
196.03606	0.9
201.02477	15.2
201.04176	2.6
201.06087	1.1
201.07971	1.5
201.09637	1.1
201.12360	6.1
202.14438	0.5
204.31325	0.5
219.03516	17.0
219.05501	1.3
219.08934	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	201.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.9
55.01885	26.7
55.05521	20.5
56.05024	4.3
56.96564	26.7
57.03425	15.6
57.07073	5.0
59.05003	3.0
60.04516	8.0
60.05658	3.6
61.02918	3.6
65.03947	3.3
67.05177	5.9
67.05508	72.4
69.03432	26.5
69.07079	24.9
70.06606	23.5
71.05001	100.0
71.49590	3.7
72.08167	18.5
73.02925	16.2
79.05502	21.0
80.12720	3.3
81.03416	10.6
81.07065	32.2
83.04996	24.3
84.04504	13.5
84.08146	21.5
85.02916	33.5
85.04002	3.7
85.06552	28.6
86.09711	65.0
87.04478	88.6
87.05588	3.8
88.03980	4.2
90.05518	3.7
91.05491	55.7
91.07858	3.4
93.07052	40.3
95.04981	33.3
95.08611	16.4
96.08133	7.1
97.02876	9.6
97.06524	8.9
98.97601	26.8
99.04461	18.7
101.02360	11.3
101.06027	3.7
105.07060	38.4
107.08577	8.3
109.02943	4.2
109.06513	13.8
109.10176	18.1
109.10814	3.6
110.01250	4.6
110.51947	3.3
110.97547	3.9
111.04459	11.1
112.08718	3.6
113.02412	4.1
113.06017	51.6
114.49313	3.4
115.03954	21.3
116.98634	11.9
117.06988	11.6
118.96764	27.6
119.01814	15.1
119.08580	43.6
120.08160	4.6
121.06512	10.4
123.04447	6.1
123.08070	74.9
127.03943	25.4
128.02344	9.5
128.06223	5.6
128.98613	6.1
129.03871	5.0
129.06979	14.2
129.10275	4.7
131.08545	7.4
133.99020	4.0
135.08073	9.4
136.95435	4.8
137.05997	11.2
137.09625	68.5
138.04393	3.9
141.03824	4.3
141.05479	6.7
141.10217	4.5
145.10104	12.1
147.08064	24.3
150.04414	6.2
153.09108	5.3
154.96474	10.0
155.08733	4.4
155.10675	5.5
156.10199	15.0
159.11682	7.5
165.05511	4.4
165.09108	44.9
173.06024	4.7
173.12935	11.7
177.00658	4.8
177.98126	25.0
183.06505	8.0
183.10173	20.3
183.11647	4.8
201.05820	23.9
201.08958	5.6
201.12633	9.2
201.16315	9.5
201.77489	3.5
202.08800	4.2
209.04918	6.8
218.76125	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	201.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	16.2
55.05510	20.0
56.05045	5.5
57.03450	25.1
59.04562	4.4
60.04530	21.9
67.05512	44.3
68.05051	4.7
69.03430	8.2
69.07067	21.4
69.75430	3.7
70.02959	4.8
70.06598	34.7
71.05000	62.1
71.49452	8.1
72.08160	29.3
73.02910	4.2
73.49709	4.2
74.06042	5.6
77.57084	4.6
79.05506	20.3
81.03447	6.8
81.07063	100.0
83.04990	14.2
84.04511	10.5
84.08150	38.7
85.00330	4.8
85.02917	25.2
85.06546	16.9
86.06059	8.5
86.09718	98.0
87.04478	39.9
87.05588	10.9
87.10053	10.4
90.59177	4.2
91.05485	42.0
93.07061	22.9
93.87771	5.0
95.04960	27.8
95.08606	17.8
96.08145	15.3
97.06531	8.1
98.02444	10.9
99.04462	13.9
101.02371	11.2
103.26444	4.0
105.07034	17.9
107.08615	10.0
109.06532	11.0
109.10156	12.3
110.09669	6.9
111.04473	12.4
111.08115	5.4
113.02355	8.2
113.06028	22.4
114.05493	6.2
115.03947	16.5
115.05495	7.8
117.07065	9.4
118.96774	23.0
119.08608	16.7
123.04473	8.1
123.08065	39.0
127.03934	59.5
127.07545	9.4
128.10695	10.7
129.06963	5.2
130.06543	4.6
131.08589	15.9
131.14540	4.4
133.99124	5.6
135.08044	6.9
137.05995	24.9
137.09641	36.8
138.09119	7.4
141.05460	10.3
141.10196	10.0
145.06462	14.0
145.10135	18.6
147.08086	14.2
154.96483	10.8
155.08699	7.7
155.10646	9.3
156.10216	16.7
158.03622	5.0
159.08028	6.5
159.11703	14.8
165.05524	7.8
165.09113	24.1
173.05991	14.6
173.09596	5.2
173.12959	19.7
175.11931	8.6
177.98071	18.0
183.06589	7.7
183.10075	9.0
184.16934	5.0
189.31316	4.6
201.05533	15.9
201.09236	8.3
201.11099	9.2
201.12718	13.3
201.16411	17.6
202.08665	6.1
220.98715	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	201.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	9.1
55.05508	16.5
56.05032	3.9
57.03443	17.5
60.04526	16.5
65.03941	4.5
67.05506	28.3
69.03426	8.8
69.07061	22.0
70.06602	25.1
70.75326	3.2
71.00922	3.7
71.01289	8.9
71.04992	37.9
72.08158	17.5
73.02898	4.5
79.05487	16.1
81.03404	6.2
81.07059	94.8
83.04965	9.9
84.04498	9.1
84.08149	22.4
85.02908	18.5
85.04049	3.4
85.06528	16.7
86.06060	3.9
86.07637	3.3
86.09233	6.0
86.09711	100.0
86.59283	2.8
87.04478	27.4
87.05599	8.0
87.10004	7.1
88.03951	6.7
88.61652	3.2
91.05486	21.5
93.07037	19.5
95.04960	13.3
95.08592	12.1
96.08116	10.9
97.06534	8.3
97.84840	3.7
98.02429	4.6
99.04455	9.1
99.08102	3.5
99.46799	3.1
102.05548	5.7
105.07013	14.2
107.08574	7.6
109.06511	9.8
109.10139	7.6
110.09683	5.2
111.04409	7.5
111.08096	6.5
112.08743	4.6
113.05994	13.4
114.05595	4.4
115.03928	10.1
115.05458	7.5
117.07017	8.9
118.96784	16.8
119.08566	13.4
123.04382	5.2
123.08070	25.3
127.03934	24.6
127.07561	5.0
128.10706	9.8
129.07039	6.8
129.10237	5.7
131.08521	5.2
133.99109	8.1
135.08105	5.0
137.05934	10.9
137.09639	19.9
138.09120	5.3
141.05473	4.2
141.10185	5.6
145.06456	8.7
145.10150	11.8
147.08029	4.4
150.95834	3.7
153.09180	3.6
154.96420	4.7
155.08966	4.0
155.10640	4.9
156.10193	14.5
158.03635	4.8
159.08034	4.1
159.11714	9.1
165.05435	8.2
165.09099	15.9
173.05962	10.9
173.09567	4.4
173.12888	17.2
177.98053	10.8
183.06537	6.6
183.10153	10.7
183.11723	4.6
184.09639	4.2
184.16939	6.7
201.05461	11.5
201.09177	11.6
201.10989	4.1
201.12717	14.9
201.16389	11.2
212.10742	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	201.076
Annotation	3-[(1R,2S,5R,6S)-5-Hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]-2-oxopropanoate
Peak:m/z	Relative Intensity
53.03939	1.6
55.05518	2.5
56.05035	1.1
56.96565	1.7
57.03442	52.3
57.67905	1.0
58.63990	1.1
59.01367	1.1
59.93106	1.8
60.05684	1.0
61.30830	0.9
62.92780	0.9
63.14978	0.9
67.01871	8.7
67.05509	2.2
69.03435	97.0
69.07073	2.3
70.06594	6.7
70.79302	1.8
71.04990	7.1
72.08147	5.1
74.06060	1.1
77.94159	1.1
79.05501	1.5
81.03403	1.0
81.07067	2.5
82.58036	1.0
84.04507	11.4
84.08148	5.0
85.02914	52.8
86.09709	8.1
87.04479	1.9
91.05444	1.7
92.84355	1.0
95.04939	1.6
96.08141	1.6
97.08435	1.3
98.97587	3.9
99.04461	74.1
102.05546	17.2
105.07034	2.2
109.06499	1.3
111.04442	2.4
113.02372	31.4
114.09158	2.4
115.05480	1.1
115.09525	3.4
116.98623	1.1
118.96776	16.7
119.01952	1.4
123.04433	1.3
127.03926	100.0
130.07797	1.0
131.08615	1.4
132.96620	1.1
133.99126	3.7
136.95470	1.5
137.05998	3.5
141.05457	2.9
142.07735	1.1
143.07047	2.2
145.06453	1.4
145.10115	2.0
154.96497	4.4
155.08958	4.7
156.10191	1.6
159.11668	2.1
159.97047	1.2
165.05466	2.0
169.04994	3.1
173.09401	1.4
173.13023	1.5
175.11952	1.0
177.98091	10.2
183.06535	2.5
183.08409	2.5
201.05702	2.4
201.07611	16.2
201.09344	2.5
201.16376	3.1
221.48306	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08993	0.4
50.33589	0.4
55.01865	0.9
58.06604	1.0
69.07101	0.4
70.06597	2.3
70.58228	0.9
70.58549	0.6
72.99598	0.7
74.09702	0.7
82.99850	9.4
84.99588	0.4
86.09709	0.9
94.99863	0.5
101.00889	60.7
102.00985	2.0
103.00642	1.8
111.00448	0.6
113.00875	14.5
114.00977	0.8
115.02424	2.3
119.01931	100.0
120.00646	0.4
120.01971	2.3
121.01686	2.1
124.02412	0.8
131.01920	39.7
132.02061	1.9
133.03482	16.6
134.03592	0.6
135.03259	1.6
137.02966	14.7
142.03499	1.1
145.03458	3.2
149.02979	7.0
149.99440	0.5
151.04532	4.7
155.01924	2.3
155.03619	1.4
159.01404	1.1
159.06844	0.6
161.03029	0.5
163.04558	0.6
164.29012	0.4
172.34669	0.4
173.02980	15.9
173.06738	0.4
174.03162	0.5
175.04539	3.1
177.00882	0.8
177.02473	1.9
177.07858	0.5
178.02586	1.2
183.01430	2.4
183.03111	0.9
191.02469	0.3
191.04027	10.0
193.05605	0.9
201.02467	58.5
201.04031	2.5
201.07715	2.1
202.02510	2.6
219.03522	42.5
219.08969	1.5
220.03642	0.8
224.04106	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39570	0.4
58.06600	5.9
59.06940	1.2
59.07381	1.6
67.60286	0.4
69.68022	2.7
70.06594	3.8
70.99832	0.8
71.06923	1.8
72.08159	0.7
72.91926	0.4
74.09718	5.8
75.10056	1.4
82.99842	8.7
83.00301	0.6
84.64251	0.5
86.09712	1.3
88.43894	0.5
90.20947	0.4
101.00887	60.0
102.00972	2.0
111.00408	0.6
113.00865	8.3
115.02448	4.5
119.01929	100.0
120.02016	3.0
124.02400	0.6
127.02399	0.7
131.01917	28.2
132.01971	0.7
133.03482	32.0
134.03574	0.7
136.92696	0.4
137.02969	15.8
138.03027	0.5
142.03479	1.5
145.03479	2.0
149.02965	6.1
151.04535	10.9
155.01852	3.1
156.05014	0.6
157.08824	1.8
159.01401	1.1
159.06758	3.2
173.02969	13.9
174.03267	0.7
175.04539	7.8
175.09996	2.6
176.07628	0.5
177.02438	1.7
177.07860	5.3
183.01385	1.9
191.04027	5.4
192.06575	0.6
193.05638	2.4
193.90266	0.5
201.02461	40.3
201.07845	11.4
202.02681	1.0
202.07417	1.5
219.03502	32.2
219.08928	11.8
220.03653	0.9
220.08450	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1284
Annotation	N-Hexanoyl-L-homoserine lactone
Peak:m/z	Relative Intensity
55.05508	1.0
56.05040	0.9
57.03440	0.8
60.04531	0.5
69.03438	1.1
69.07064	1.1
69.84072	1.3
70.02970	0.5
70.06602	1.6
71.05000	0.4
71.08636	6.4
72.04562	0.4
72.08162	1.7
74.06081	0.5
81.07054	0.8
84.04508	9.9
84.08156	1.7
85.02911	19.8
86.09708	3.3
87.04476	1.2
87.10020	0.3
88.11276	9.7
91.05480	0.4
95.01322	1.3
96.08105	0.5
98.06046	0.5
98.97590	1.0
100.07623	0.8
101.07136	0.4
102.04871	0.4
102.05550	7.7
102.06193	0.6
108.21170	0.3
110.09626	0.4
112.03972	1.1
112.07635	0.8
123.11676	0.4
126.09137	0.4
128.10732	0.4
129.10211	0.3
130.05011	47.2
136.07597	0.6
138.09164	0.7
141.10263	0.5
143.08279	0.3
153.74806	0.3
154.08618	1.9
154.12296	0.4
155.11787	0.6
156.10274	0.4
157.10098	0.5
158.10503	1.1
172.12059	0.5
172.13350	3.4
182.08215	0.3
182.11729	1.1
182.15469	0.4
200.12828	100.0
201.13141	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	200.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80576	0.3
55.01883	0.4
55.05520	1.0
56.05046	0.7
56.11913	0.2
56.96589	0.3
57.03442	1.0
60.04539	0.4
67.05518	0.5
67.44186	0.3
69.03440	1.3
69.07060	1.6
70.02975	0.2
70.06609	1.5
70.39981	1.1
71.04996	0.5
71.08644	6.5
71.61484	0.3
71.62415	0.3
72.08163	1.6
74.06108	0.4
74.09744	0.5
81.07071	0.7
83.08646	0.4
84.03991	0.4
84.04515	9.3
84.08150	1.4
85.02914	18.4
86.06049	0.3
86.09721	4.2
86.46446	0.3
87.04472	1.8
87.05585	0.3
87.10048	0.6
88.11282	9.3
92.57871	0.3
95.01343	1.0
95.08636	0.5
96.08121	0.5
98.02419	0.4
98.06070	0.8
98.97596	0.9
100.07632	1.3
102.05553	7.8
110.07187	0.3
110.09697	0.3
111.96049	0.3
112.03986	1.8
112.07634	0.4
115.79009	0.3
116.98621	0.5
118.96773	0.5
123.11718	0.3
126.09166	0.5
127.03980	0.3
128.10756	0.3
129.10291	0.4
130.05019	46.3
130.74672	0.3
131.05322	0.5
134.95970	0.3
138.09171	0.5
141.10284	0.6
143.08220	0.5
144.08934	0.8
145.10147	0.5
154.08656	1.5
155.11826	0.7
157.09908	0.5
158.10487	2.0
170.10580	0.3
172.12030	0.7
172.13368	3.4
173.12978	0.4
177.98097	0.3
182.11823	0.7
182.15450	0.4
195.86560	0.3
200.09126	2.8
200.12843	100.0
201.13177	1.3
219.44487	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06599	44.5
59.07384	10.0
61.23532	0.8
70.06594	40.2
70.91393	1.3
71.06921	2.5
72.08156	1.6
74.05837	0.7
74.09721	53.6
95.68742	0.9
100.07607	2.7
101.00890	2.9
106.96517	0.8
114.07668	2.4
119.01925	3.7
131.01875	1.0
132.08710	1.3
144.13538	0.7
152.37033	0.7
156.08705	11.7
158.06635	29.6
172.06352	6.0
173.05353	4.4
174.09779	22.1
176.07693	57.0
190.07469	1.5
191.06377	4.6
194.08842	1.1
200.05981	6.4
200.07681	100.0
201.07918	1.8
218.06976	6.5
218.08757	89.2
219.09009	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	199.1484
Annotation	Guaiazulene
Peak:m/z	Relative Intensity
53.03940	1.4
55.05515	4.9
56.96561	2.5
57.03417	0.8
57.07064	2.2
57.93561	1.2
62.21911	0.6
67.05500	1.6
69.07072	6.1
70.06569	0.7
71.39345	0.5
72.04536	1.0
74.09724	8.1
75.94591	1.0
79.05492	4.6
79.24972	0.5
81.07047	2.4
83.04987	1.4
83.08615	1.4
84.08140	0.7
84.08965	0.8
84.27162	0.5
87.59386	0.5
91.05479	8.1
93.07050	13.4
95.04968	1.5
95.06081	0.9
95.08649	0.9
97.06516	0.6
97.10178	0.8
100.07623	1.9
103.05460	1.2
105.04533	1.1
105.07037	15.9
107.08603	6.8
111.04427	0.7
115.05466	2.1
116.97225	6.9
117.07033	2.3
119.07726	1.2
119.08585	22.7
121.07683	0.8
121.10152	1.4
128.06233	8.4
129.07025	10.4
131.08533	2.6
131.66962	0.5
131.99535	1.2
133.10120	1.5
134.95894	1.0
141.06998	4.8
142.07788	22.4
143.08572	35.7
144.09300	2.0
145.10144	3.2
152.96965	2.0
153.07007	0.8
154.07639	0.9
154.08702	0.9
155.06094	0.6
155.08574	5.9
156.09354	13.2
157.10138	62.2
157.97490	1.0
158.10843	1.9
168.09344	0.7
169.10130	16.1
170.10921	9.6
171.11694	24.1
175.58992	0.8
175.98540	5.6
179.13814	0.7
181.10178	1.1
183.11699	1.6
184.12489	18.8
197.13228	1.3
199.11420	3.8
199.14835	100.0
199.18869	28.2
200.13078	0.7
200.15192	1.5
210.14673	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34501	0.3
53.71270	0.3
55.05500	0.3
56.96566	1.4
57.03447	0.3
58.99877	0.6
62.12397	0.3
68.05032	0.7
69.05824	0.3
69.06368	0.3
70.06597	100.0
70.91378	0.7
70.98131	1.0
70.99864	1.3
71.05002	0.3
71.06934	0.9
82.01465	1.7
82.06587	0.8
82.63243	0.3
82.99863	0.8
84.08154	0.5
85.01421	0.5
85.02964	0.3
88.99193	0.4
89.00897	0.7
94.06613	0.3
95.06104	1.6
98.06047	1.7
98.97603	0.3
100.02499	2.0
101.00890	4.9
102.00968	0.5
102.02242	0.4
103.00639	0.4
103.02436	0.7
110.04584	0.4
110.09708	0.3
110.97573	0.7
113.00889	0.6
114.04017	0.7
115.02411	0.8
118.03512	0.5
119.01076	0.4
119.01933	6.3
120.02003	0.9
121.01640	0.3
126.04039	0.3
126.09168	0.4
128.05566	0.8
128.98598	0.4
131.01918	0.7
132.05051	0.5
133.03474	2.2
137.02924	0.9
138.06612	0.8
140.10707	7.3
142.03502	0.4
146.06586	0.3
147.01413	0.6
147.03188	0.7
151.04520	0.4
152.05547	1.5
156.05067	0.9
156.98018	0.4
161.03056	0.3
170.02971	0.9
170.06639	14.6
171.06694	0.4
172.04462	0.3
172.06590	0.3
174.06145	0.7
174.99118	1.4
175.00876	2.4
175.04543	0.7
175.06128	0.3
180.05016	1.2
180.10208	0.7
188.07689	2.6
193.00160	1.1
193.01912	0.6
193.05685	0.4
193.07349	0.3
198.02411	0.8
198.06111	16.8
198.11203	2.4
198.14818	2.3
198.18544	4.5
199.06421	0.6
216.07198	22.1
217.07349	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48351	0.3
56.96558	0.7
68.05025	0.4
68.98230	0.3
69.49314	2.5
70.06597	100.0
71.06925	0.8
82.01456	1.0
82.06600	0.5
82.99856	0.7
85.01380	0.5
86.99358	0.4
89.40649	0.3
95.06055	0.4
96.59547	0.3
96.95657	0.3
98.06061	1.4
98.21493	0.7
100.02486	1.0
101.00883	3.6
102.00992	0.4
103.02460	0.8
110.04539	0.4
113.00871	0.3
119.01914	2.4
120.02047	0.4
126.09145	0.6
128.05569	0.6
131.01912	0.5
133.03464	1.4
140.10712	2.5
142.03506	0.5
152.05562	2.3
156.05052	0.6
157.03438	0.5
161.02930	0.7
170.02963	0.7
170.06636	16.2
174.99109	0.7
175.04622	1.6
175.05936	0.4
180.05014	1.2
180.10126	0.4
184.04518	0.5
188.07724	2.3
193.05666	0.5
198.06076	17.2
198.07455	1.1
198.11197	1.0
198.14922	0.6
198.18475	1.2
199.06323	0.5
216.07196	22.1
217.07362	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	2.1
55.01875	2.2
55.05272	1.9
55.05513	28.2
57.03426	3.2
57.07077	14.2
59.05001	15.4
67.05512	39.8
69.07074	89.1
70.06570	2.9
70.95848	4.3
71.04999	59.4
71.08631	3.3
72.93789	2.3
73.06567	1.7
79.05500	10.3
81.07061	61.7
83.04972	3.4
83.08620	21.9
85.06542	9.4
85.10180	2.0
86.06065	2.2
87.08111	4.3
91.05466	7.0
93.07056	20.4
94.07338	1.6
95.08614	100.0
97.06530	3.7
97.10168	8.7
99.08102	15.1
101.09709	1.8
105.07021	11.2
107.08607	20.1
109.06541	3.0
109.10166	59.6
111.11724	8.1
111.98457	3.4
113.09643	3.6
119.08579	26.8
119.57322	1.7
121.10152	23.2
123.08014	4.7
123.11715	46.2
127.11172	1.9
132.95871	9.1
133.10129	9.8
135.11711	8.8
137.13271	6.4
141.07019	4.0
141.12781	2.1
142.22043	1.5
143.08633	1.7
150.96880	7.0
151.14812	2.6
153.07060	2.3
155.08530	7.8
155.97356	8.1
156.09270	2.2
161.09578	3.5
161.12007	2.6
161.13266	36.8
167.08513	5.6
169.10114	10.7
173.98492	4.8
179.10692	9.8
179.14296	14.7
179.17955	16.5
181.10092	1.6
182.10924	10.6
189.43143	1.6
197.09731	3.3
197.11656	6.1
197.13242	18.1
197.19025	21.8
198.11217	5.2
198.12830	1.8
198.18542	79.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1174
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03951	1.5
55.01888	0.8
55.05524	2.8
57.07071	1.6
59.05009	2.9
65.03950	1.2
67.05507	6.4
69.03453	1.2
69.07078	1.6
69.78925	3.4
70.95867	5.0
71.01367	1.4
72.93806	3.0
77.03918	0.8
79.05508	7.1
81.03419	0.9
81.07056	6.8
83.04990	1.1
83.08625	0.8
84.08173	0.8
84.88380	0.5
85.06560	0.7
88.96908	0.7
91.05485	17.5
93.07045	22.5
95.04974	8.3
95.08628	3.9
97.06526	0.9
99.04514	0.8
103.05483	0.7
105.03435	0.8
105.07037	28.9
107.04952	0.8
107.08601	72.5
109.06526	5.8
109.10150	5.1
111.98484	5.5
113.06023	0.7
115.05460	1.1
117.07027	0.9
119.04938	1.5
119.06073	1.3
119.08578	8.3
121.06514	5.9
121.10125	1.2
123.04448	4.5
123.08055	1.2
123.11693	3.4
129.99542	1.5
131.08607	3.0
132.95834	7.6
133.10139	67.3
135.08064	1.7
135.11699	55.0
137.06003	2.4
137.09612	5.4
143.08595	1.0
146.07281	1.8
150.96880	7.0
151.11194	6.4
155.08546	1.7
155.97420	6.0
161.09634	34.3
169.10178	1.4
170.15442	0.9
173.98502	5.1
179.10681	100.0
180.11012	1.4
182.10902	1.3
197.11734	61.3
197.13214	3.8
198.18573	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	197.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
55.05508	2.5
59.05019	0.8
67.05499	2.7
69.07064	1.6
70.62636	2.0
70.95869	2.9
72.93792	1.2
79.05495	3.5
81.07054	5.0
83.04992	0.9
84.08146	0.6
85.06536	0.9
91.05481	8.5
93.07044	7.3
95.04979	1.4
95.08031	0.6
95.08599	3.2
97.06552	1.3
99.04456	1.4
103.05454	0.8
105.07047	17.2
107.08602	77.5
109.06522	2.4
109.10152	4.6
111.04436	0.9
111.98507	2.2
115.05485	1.4
117.07037	0.8
119.04935	1.1
119.06056	0.6
119.08591	6.9
121.06521	2.2
121.10165	0.8
123.11726	1.2
128.06247	1.8
129.07039	1.7
129.99551	0.6
131.08595	2.2
131.26920	0.5
132.95848	6.8
133.10143	44.2
135.08029	0.8
135.11700	10.9
137.06007	1.1
137.09660	2.6
141.06969	4.2
142.07796	4.6
143.08575	2.4
146.07292	0.7
150.96909	3.9
151.11188	2.9
152.06242	1.0
153.07010	5.8
154.07770	4.9
155.08568	15.1
155.97452	3.0
156.09373	6.6
157.10150	2.2
161.09621	11.8
161.13286	1.4
165.06981	1.3
166.07762	0.6
167.08577	35.3
168.09378	8.4
169.10133	16.0
173.98555	3.4
179.10695	19.1
179.12213	1.2
181.10152	5.1
182.10922	55.7
195.11693	4.3
197.11714	29.7
197.13312	100.0
198.13623	1.2
198.18588	2.2
202.71288	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38485	0.7
53.03942	2.2
53.54168	0.8
53.86748	0.7
54.25908	0.8
55.01865	2.3
55.05523	5.5
57.07071	1.1
59.04993	2.7
63.02338	0.8
65.03923	2.5
67.05508	6.3
69.03434	1.5
69.07064	3.0
70.95869	5.2
71.01366	1.1
71.05021	2.5
72.93776	2.9
75.93673	0.7
79.05506	6.8
81.03419	1.6
81.07060	8.5
83.04973	2.3
83.08604	1.3
83.31734	0.8
84.04522	0.9
84.08102	0.9
85.06552	1.6
91.05487	22.3
93.07053	28.8
95.04977	9.5
95.08615	5.1
97.02871	0.9
105.06326	1.2
105.07043	33.6
107.08604	71.3
109.06510	5.6
109.10172	8.8
111.04446	0.9
111.98467	5.2
114.09186	0.8
114.94730	0.8
115.05438	1.1
117.07037	1.2
118.04353	0.7
118.07732	0.8
119.04930	2.7
119.06114	1.1
119.08599	9.6
121.06509	5.9
121.10149	1.1
123.04431	4.3
123.08054	1.8
123.11701	4.2
125.05987	2.0
127.03900	0.8
128.06213	0.8
129.99530	1.5
131.08556	3.0
132.95850	10.6
133.10146	76.5
134.10439	0.9
135.08051	3.4
135.11703	53.8
136.05179	0.9
137.06003	4.8
137.09616	7.1
141.07021	1.4
143.08566	1.8
146.07295	2.5
148.36121	0.7
150.96907	9.9
151.03951	0.7
151.11197	9.8
153.06929	0.9
155.08540	1.9
155.97421	7.2
161.09634	34.6
167.08589	3.0
169.10185	3.2
170.39233	0.9
173.98521	6.2
179.10692	100.0
182.10895	4.5
197.11740	58.4
197.13310	7.2
198.18542	6.4
209.71997	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1174
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
55.01620	0.6
55.01865	1.2
55.05515	1.8
57.07075	0.8
59.05014	1.0
59.25795	0.5
65.03931	0.7
67.05511	2.1
69.03414	0.5
69.07047	0.9
70.06604	0.8
70.82935	1.5
70.95878	5.0
71.01366	0.6
72.93796	2.3
74.94122	0.5
79.05508	3.8
81.07065	3.2
83.04985	1.0
83.08620	0.5
84.04505	1.3
86.09680	0.7
88.96888	0.6
91.05492	13.2
93.07057	8.2
95.04992	2.0
95.08610	1.7
97.06535	0.7
105.07041	18.3
107.08603	100.0
107.45343	0.6
107.96874	0.5
108.08930	0.8
109.06538	3.8
109.10162	5.2
109.81786	0.5
110.09646	0.6
111.58498	0.5
111.98506	5.7
113.96377	0.9
117.07035	1.1
118.07829	0.6
119.06079	2.1
119.08593	5.9
121.06509	2.5
123.08073	0.7
123.11713	1.1
125.05981	0.8
127.04977	0.7
129.12982	0.5
129.99554	1.0
131.08566	1.4
132.95853	12.2
133.10144	56.5
135.08031	0.7
135.11708	14.1
137.05995	2.5
137.09601	2.8
139.07489	0.7
143.08549	1.0
146.07233	1.9
150.96886	7.8
151.11203	3.9
155.97452	6.3
161.09633	14.0
167.08582	0.9
169.10196	0.6
173.98494	5.1
177.80093	0.6
179.10693	21.9
182.10953	0.9
197.11739	43.4
197.13145	1.8
198.11278	0.5
198.18542	4.4
199.93948	0.6
207.39079	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1175
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03936	3.8
53.43380	1.2
55.01873	3.1
55.05514	8.7
57.07080	1.8
59.05003	3.8
65.03940	1.7
67.05501	7.3
68.44117	1.3
69.03435	1.5
69.07063	3.3
70.06573	1.2
70.95866	10.5
71.04433	2.4
72.08174	2.1
72.93797	5.1
79.05496	8.2
81.07059	16.3
84.04519	1.7
84.08131	2.6
91.05489	19.2
93.07047	22.5
95.04976	8.1
95.08607	5.7
97.06533	4.2
99.04446	3.3
100.77966	1.5
105.03390	2.1
105.07047	35.0
107.04910	1.4
107.08604	77.0
109.06521	8.7
109.10162	5.8
111.98495	11.5
119.04942	2.4
119.08597	7.9
121.06522	6.0
121.10147	1.8
123.04453	2.7
123.08084	1.2
123.11671	2.1
125.06007	23.3
127.03912	7.9
131.08577	3.5
132.95848	22.1
133.10138	76.6
135.08063	2.8
135.11699	55.5
135.12732	3.1
136.26662	1.3
137.05977	20.1
137.09589	6.8
143.08528	1.6
146.07231	2.4
150.96892	18.5
151.11157	9.0
155.08565	2.4
155.97462	13.2
161.09628	41.0
167.08568	2.2
169.06401	1.9
169.10213	2.8
173.98509	13.5
179.10683	100.0
180.13860	1.8
182.10899	3.4
197.11745	62.4
197.13287	6.4
198.18538	8.2
200.90196	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0812
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.03936	0.8
55.01881	3.3
55.05510	1.6
55.93520	0.5
56.05028	0.4
56.96531	0.3
57.03431	0.4
57.07075	0.4
57.13614	0.3
59.95672	0.2
61.52673	0.2
65.03946	2.4
67.05506	2.6
69.03426	0.5
69.07069	1.1
69.47272	1.7
70.06624	1.2
70.95871	6.9
71.01364	0.3
71.04989	0.5
72.08162	0.5
72.93798	3.8
73.02922	19.7
79.05492	0.8
79.19551	0.3
81.03426	0.4
81.07061	0.8
83.04975	0.3
84.04514	3.3
84.08153	2.9
84.78397	0.3
85.02899	0.5
85.06548	0.3
86.09710	1.6
87.04478	0.4
88.96894	1.0
89.03899	0.3
89.18404	0.2
90.94829	0.5
91.05486	3.1
93.03406	1.2
93.07056	0.8
95.04993	1.9
95.08605	0.7
96.08131	0.4
97.02888	0.3
97.91546	0.3
98.21655	0.3
105.04525	0.4
105.07049	1.3
107.04958	0.4
107.08607	2.0
108.02075	1.9
109.06512	0.8
109.10178	0.5
110.03674	2.4
111.04454	1.6
111.49228	0.3
111.98483	5.7
113.96401	0.7
114.94783	0.5
119.04929	2.0
119.08601	0.5
120.08115	0.5
120.90496	0.2
121.04028	0.4
121.06595	0.3
123.04436	0.7
123.08076	1.1
125.06007	13.5
126.12721	0.2
129.06631	0.6
129.99515	2.2
131.96268	0.3
131.97432	0.3
132.95847	13.2
133.10130	1.7
134.05956	0.3
135.11728	0.8
136.01605	0.6
137.06001	1.4
137.09627	0.9
139.07541	0.4
141.05490	2.3
149.05997	2.8
150.96906	12.1
151.03922	100.0
151.05017	8.7
151.07445	3.5
152.04312	0.9
152.07184	0.4
152.14412	0.3
154.07851	0.3
155.08539	0.6
155.97426	7.3
156.09314	0.3
161.09666	0.9
167.08621	0.6
169.10162	1.8
173.98508	9.6
179.07047	18.0
179.10582	2.5
180.07280	0.3
180.10260	0.3
182.05745	0.3
182.10947	1.0
192.01276	0.3
197.06264	0.4
197.08101	5.2
197.09804	0.6
197.11705	0.9
197.13235	2.3
197.16469	0.4
198.11320	1.0
198.18541	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	195.1747
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03943	2.9
55.01875	16.6
55.05240	1.8
55.05513	33.9
56.05022	1.3
56.96554	2.1
57.03428	4.3
57.07082	9.5
65.03931	2.3
67.05183	2.1
67.05511	35.2
68.96347	2.9
68.99789	4.1
69.03433	18.2
69.07073	66.6
69.34023	9.5
69.34449	2.3
70.06584	5.1
70.94271	1.3
71.05000	15.4
71.08635	3.5
72.08169	2.1
74.06055	1.7
76.76995	1.6
77.03904	1.7
79.05502	47.6
81.03409	5.6
81.07064	96.6
82.03716	1.3
83.04989	8.2
83.08624	25.4
84.04517	2.6
84.08148	11.5
85.02907	2.3
85.06553	18.1
85.10187	1.7
86.09711	2.3
89.03922	2.7
89.06044	2.0
91.05488	19.7
93.07053	80.5
95.04993	8.4
95.08616	100.0
97.06540	30.6
97.10187	13.9
99.08099	54.4
99.08765	1.9
103.05483	2.5
105.04539	1.7
105.07047	13.5
107.04968	7.1
107.08604	79.1
109.02778	1.3
109.06521	7.8
109.10169	24.0
109.98972	1.6
111.04468	2.1
111.08088	23.8
111.11736	5.5
112.04023	1.4
113.09673	6.5
113.14563	1.3
117.03408	5.8
117.07004	5.3
119.08604	6.1
121.06522	9.7
121.10152	89.6
122.06064	1.4
122.09651	1.5
123.04435	2.3
123.08084	2.2
123.11727	7.2
125.05994	3.9
125.09640	49.2
125.10571	2.8
125.13228	2.3
127.11221	1.4
129.10248	1.7
130.96309	4.2
131.08589	6.4
131.96162	2.5
133.10161	8.0
135.04428	3.5
135.08076	10.2
135.11700	67.6
137.05978	2.1
137.09639	2.4
137.13264	31.1
138.06642	2.0
139.03958	2.0
139.07542	3.9
139.11172	7.5
145.02818	9.9
148.97369	4.1
149.05988	4.9
149.09637	5.9
149.13274	19.1
149.97197	3.3
150.09212	2.1
151.11223	3.1
152.06194	3.3
153.05421	1.3
153.09122	8.3
153.12758	3.7
153.97916	2.8
154.06303	1.8
154.97884	1.3
159.11687	9.5
163.03922	4.0
163.07500	1.6
165.07010	8.5
165.08852	1.4
166.07677	1.9
167.07184	2.8
167.08492	10.9
168.10196	6.0
171.98979	4.4
177.05475	13.1
177.06743	1.7
177.09119	3.2
177.12794	17.8
177.16396	80.1
178.08577	1.3
178.16948	1.5
180.09309	4.0
183.07890	1.4
195.02946	5.5
195.06514	5.8
195.08122	10.7
195.10143	4.0
195.11671	10.1
195.13808	17.0
195.15668	2.7
195.17436	28.2
196.09659	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.9
55.01875	16.6
55.05240	1.8
55.05513	33.9
56.05022	1.3
56.96554	2.1
57.03428	4.3
57.07082	9.5
65.03931	2.3
67.05183	2.1
67.05511	35.2
68.96347	2.9
68.99789	4.1
69.03433	18.2
69.07073	66.6
69.34023	9.5
69.34449	2.3
70.06584	5.1
70.94271	1.3
71.05000	15.4
71.08635	3.5
72.08169	2.1
74.06055	1.7
76.76995	1.6
77.03904	1.7
79.05502	47.6
81.03409	5.6
81.07064	96.6
82.03716	1.3
83.04989	8.2
83.08624	25.4
84.04517	2.6
84.08148	11.5
85.02907	2.3
85.06553	18.1
85.10187	1.7
86.09711	2.3
89.03922	2.7
89.06044	2.0
91.05488	19.7
93.07053	80.5
95.04993	8.4
95.08616	100.0
97.06540	30.6
97.10187	13.9
99.08099	54.4
99.08765	1.9
103.05483	2.5
105.04539	1.7
105.07047	13.5
107.04968	7.1
107.08604	79.1
109.02778	1.3
109.06521	7.8
109.10169	24.0
109.98972	1.6
111.04468	2.1
111.08088	23.8
111.11736	5.5
112.04023	1.4
113.09673	6.5
113.14563	1.3
117.03408	5.8
117.07004	5.3
119.08604	6.1
121.06522	9.7
121.10152	89.6
122.06064	1.4
122.09651	1.5
123.04435	2.3
123.08084	2.2
123.11727	7.2
125.05994	3.9
125.09640	49.2
125.10571	2.8
125.13228	2.3
127.11221	1.4
129.10248	1.7
130.96309	4.2
131.08589	6.4
131.96162	2.5
133.10161	8.0
135.04428	3.5
135.08076	10.2
135.11700	67.6
137.05978	2.1
137.09639	2.4
137.13264	31.1
138.06642	2.0
139.03958	2.0
139.07542	3.9
139.11172	7.5
145.02818	9.9
148.97369	4.1
149.05988	4.9
149.09637	5.9
149.13274	19.1
149.97197	3.3
150.09212	2.1
151.11223	3.1
152.06194	3.3
153.05421	1.3
153.09122	8.3
153.12758	3.7
153.97916	2.8
154.06303	1.8
154.97884	1.3
159.11687	9.5
163.03922	4.0
163.07500	1.6
165.07010	8.5
165.08852	1.4
166.07677	1.9
167.07184	2.8
167.08492	10.9
168.10196	6.0
171.98979	4.4
177.05475	13.1
177.06743	1.7
177.09119	3.2
177.12794	17.8
177.16396	80.1
178.08577	1.3
178.16948	1.5
180.09309	4.0
183.07890	1.4
195.02946	5.5
195.06514	5.8
195.08122	10.7
195.10143	4.0
195.11671	10.1
195.13808	17.0
195.15668	2.7
195.17436	28.2
196.09659	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03939	4.6
55.01868	4.8
55.05519	13.2
56.96561	1.8
57.03430	3.7
57.07066	2.4
65.03944	2.7
66.04729	1.1
67.05511	54.8
68.99776	1.9
69.03423	1.4
69.06728	1.8
69.07072	17.3
69.63772	2.0
69.64180	4.8
70.06591	2.0
71.01358	1.8
71.04998	6.7
74.65621	1.3
79.05500	34.7
81.03419	9.0
81.07066	100.0
83.04970	7.9
83.08627	7.6
84.08138	2.5
85.06535	4.9
89.03889	1.3
89.06036	1.1
91.05495	28.7
93.07052	65.3
95.04993	5.5
95.08614	40.5
96.94981	1.2
97.06528	11.7
98.20750	1.5
98.21323	2.9
99.08083	1.5
100.84300	1.1
101.05973	1.2
104.05673	1.3
105.07037	12.4
107.04945	3.6
107.08597	25.3
109.06513	3.9
109.10138	4.0
109.98969	1.8
111.08095	5.4
113.09669	1.5
117.03381	2.7
117.07031	10.7
119.08584	2.5
121.06519	6.7
121.10152	11.1
123.01797	1.1
123.08062	1.2
123.11726	1.1
125.06014	1.5
125.09624	1.9
130.96291	2.2
131.08569	12.6
131.96130	3.3
133.10135	19.3
135.04343	1.4
135.08099	6.8
135.10704	2.2
135.11697	38.3
139.03886	1.2
140.37593	1.1
145.02835	4.1
148.97391	1.8
149.05994	1.9
149.09589	3.3
149.13278	19.7
149.97177	3.4
150.09157	1.4
153.09113	1.6
159.11717	16.9
163.03949	1.3
165.07065	5.5
167.07079	2.3
167.08661	1.5
168.10182	2.0
171.99016	2.1
172.98886	1.5
177.05511	5.9
177.12752	15.2
180.09337	3.6
191.27855	1.4
195.02921	3.7
195.06561	2.1
195.08302	3.2
195.11639	9.5
195.13815	16.9
195.15706	3.2
196.09689	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	195.1383
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03936	3.1
53.38130	1.3
55.01866	3.4
55.05278	1.0
55.05519	13.5
56.96572	1.2
57.03425	4.1
57.07060	2.2
65.03946	2.7
67.05513	55.1
69.03439	2.0
69.07077	13.6
70.06586	1.8
71.01357	1.2
71.04997	7.0
71.50435	1.2
73.02911	1.8
77.03942	1.4
77.06612	1.1
79.05500	41.7
81.03429	8.9
81.07065	100.0
83.05003	11.3
83.08632	7.5
84.08143	2.4
85.06520	3.6
89.03919	1.9
89.05999	1.3
91.05488	29.0
93.07055	60.5
95.04988	7.0
95.08617	46.0
97.06538	11.3
99.08099	1.5
103.05501	2.4
105.04527	1.3
105.07043	11.0
107.02500	1.2
107.04962	2.9
107.08606	27.7
109.06525	3.1
109.10155	4.0
109.98956	1.6
111.04473	1.2
111.08073	6.6
116.49495	1.1
117.03419	2.1
117.07027	11.3
119.08598	3.1
121.06516	7.5
121.10139	8.4
123.11710	1.4
130.96307	1.3
131.08575	11.4
131.96132	1.6
133.10146	16.8
135.08096	5.5
135.10715	2.6
135.11708	41.0
137.09561	1.4
139.03937	1.8
139.07552	1.3
140.18329	1.3
145.02794	3.1
147.11720	1.4
149.05943	2.3
149.09642	3.3
149.13293	16.9
149.97162	1.3
150.09102	1.6
151.11136	3.4
153.05495	1.7
153.09044	1.6
158.69998	1.2
158.71458	1.2
159.11703	16.2
162.98395	1.2
163.03979	2.6
165.06984	4.8
167.03279	1.3
167.08627	1.1
168.10210	3.1
177.05461	4.4
177.12752	16.2
177.16451	1.5
180.09351	3.4
195.02856	3.8
195.06471	2.2
195.08098	3.1
195.10162	2.3
195.11728	7.9
195.13808	17.0
195.15565	2.4
196.09657	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	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03947	5.4
55.01869	5.6
55.05516	24.8
56.96577	11.0
57.03435	5.2
57.07069	5.5
59.04999	1.8
65.03946	4.2
67.05511	73.4
69.03442	6.1
69.07070	22.4
70.06592	3.6
70.30403	3.8
71.05009	9.8
72.08163	2.0
73.25825	2.0
79.05499	57.4
81.03429	32.9
81.07065	100.0
82.07407	2.0
83.04993	27.6
83.08620	13.3
84.08145	3.9
85.02888	1.7
85.06557	4.9
86.06075	2.2
86.81207	1.9
87.04461	4.5
89.03909	2.9
89.06056	5.6
91.05488	41.2
93.07055	78.1
95.04977	13.5
95.08614	49.5
97.00559	2.3
97.06540	16.4
97.10197	2.0
98.06029	2.6
98.20721	2.0
99.08134	2.2
103.05482	2.1
105.07027	17.1
107.02583	2.0
107.04956	7.9
107.08609	32.2
109.06532	4.5
109.10159	7.9
111.08058	5.3
117.03363	4.2
117.07030	15.9
119.08589	8.2
121.06486	13.5
121.10160	12.9
123.08061	3.1
124.07583	2.4
125.09676	2.5
131.08586	22.3
131.96153	6.5
132.96591	2.0
133.10121	22.5
134.05943	2.1
135.08096	9.3
135.11697	37.0
136.06166	2.8
136.07562	2.1
137.06053	2.6
137.09550	2.2
139.07562	3.9
144.09344	2.3
145.02855	7.8
148.97365	2.2
149.05989	4.6
149.09663	3.7
149.13268	19.7
149.97247	9.6
150.09135	4.6
151.11235	2.4
153.09052	2.4
154.06383	3.3
159.11690	18.9
163.03955	3.1
165.07063	11.2
167.08670	5.9
168.10159	5.9
171.98955	2.4
172.98793	2.5
175.08894	2.5
177.05482	10.7
177.09004	2.7
177.12782	12.9
180.09393	10.1
181.10060	2.3
195.02931	8.5
195.06488	4.6
195.08228	9.1
195.11649	22.1
195.13834	25.4
195.15715	5.3
196.09737	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	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03945	6.5
54.90300	1.3
55.01863	3.7
55.05518	22.2
57.03434	7.1
57.07070	3.8
65.03932	3.0
67.05511	61.6
69.03422	3.6
69.07072	14.5
70.06581	3.4
71.01347	2.7
71.04647	1.4
71.04998	9.0
71.51137	2.1
79.05498	43.8
80.42652	1.6
81.03423	29.3
81.07061	100.0
83.04987	21.4
83.08627	9.4
84.08134	1.7
85.06542	4.6
87.04466	2.9
89.06049	4.2
91.05487	38.4
93.07047	70.1
94.71145	1.3
95.04977	12.1
95.08614	38.6
97.06531	15.2
97.10198	1.8
105.04550	2.3
105.07037	14.2
107.04953	4.7
107.08605	32.2
109.06537	7.1
109.10151	5.2
110.23138	1.6
111.08089	6.7
113.09662	1.9
115.05493	2.7
117.03384	3.3
117.07019	11.9
119.08607	5.3
121.06520	12.3
121.10154	14.1
125.09626	2.0
131.08569	14.1
131.96161	4.2
133.08551	1.7
133.10135	19.4
135.08098	8.1
135.11700	37.5
136.07600	1.8
137.05981	3.1
137.09599	2.0
139.03897	1.9
139.07541	4.5
145.02873	4.7
149.06004	4.3
149.09633	1.8
149.13269	15.9
149.97237	3.4
150.09206	3.2
151.11229	2.0
152.08369	1.8
154.06250	1.6
159.11725	17.0
163.11172	2.9
165.07047	6.1
167.08643	1.7
168.10181	1.9
177.05470	9.8
177.12785	13.7
180.09338	6.8
180.63251	1.5
195.02956	6.9
195.06458	2.0
195.08156	2.9
195.10060	2.6
195.11650	13.8
195.13821	37.9
195.15465	2.7
196.09631	2.3
196.16998	2.0
204.25211	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	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03955	5.3
55.01876	3.9
55.05518	16.8
57.03445	5.6
57.07077	2.0
65.03947	2.5
67.05510	65.1
67.67458	0.6
68.05844	0.8
68.99783	1.5
69.03441	2.2
69.07070	18.5
69.64402	0.6
71.01363	2.8
71.05001	7.0
71.08614	0.8
71.67645	0.6
73.02894	1.5
73.24513	0.6
77.03931	1.0
79.05500	48.6
81.02988	1.4
81.03428	15.9
81.07063	100.0
82.07399	1.1
83.04984	12.8
83.08624	11.4
85.02905	0.9
85.06535	4.6
89.03917	0.8
91.05488	42.5
92.05881	1.0
93.07050	64.8
95.04977	7.3
95.08615	32.5
97.06545	11.8
97.10207	1.0
99.04453	1.3
99.08115	1.6
103.05484	1.2
105.04539	1.4
105.06329	0.8
105.07036	13.1
107.04956	4.0
107.08601	30.9
109.02875	0.8
109.06531	3.3
109.10166	5.0
110.23600	0.7
111.04475	1.6
111.08079	5.9
113.06012	0.7
113.09685	1.8
115.05456	1.3
117.03457	1.1
117.07031	15.0
119.08593	3.2
121.06499	6.8
121.10154	11.4
123.08148	1.3
123.11728	2.6
125.05956	0.7
125.09686	1.3
129.07014	0.7
131.08583	15.7
133.10141	30.1
134.10532	0.7
135.08070	5.6
135.11702	33.9
137.09747	0.7
139.07555	0.9
145.02896	1.5
147.11736	1.1
149.06024	1.4
149.09668	2.7
149.13271	19.0
149.14383	1.2
151.11186	4.0
153.07129	0.8
153.09106	1.7
157.10136	1.1
159.11700	17.4
165.07059	2.7
167.08615	0.7
168.10214	1.2
177.05515	2.4
177.12756	14.4
177.14236	0.8
177.16454	1.4
180.09377	2.5
195.03044	0.9
195.06602	1.5
195.10175	1.2
195.11783	4.7
195.13873	21.3
214.14397	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03935	4.3
55.01865	2.3
55.05516	18.4
57.03441	5.7
57.07080	2.0
65.03931	4.0
67.05510	60.0
69.03421	1.9
69.07072	14.8
71.01352	2.6
71.04996	6.4
71.22923	2.3
72.77273	1.2
79.05499	43.4
80.27377	1.1
81.03421	15.8
81.07062	100.0
82.07364	1.4
83.04988	11.6
83.08622	11.2
85.06539	5.0
87.04475	1.6
91.05486	43.9
93.07051	59.4
95.04958	4.2
95.08611	34.7
97.06523	11.1
98.46363	1.3
99.08078	2.3
105.07039	12.7
107.04959	2.4
107.08601	28.7
109.06522	3.0
109.10136	3.7
111.08087	5.9
117.07034	17.7
119.08575	3.0
121.06518	4.6
121.10143	11.8
123.11697	3.5
131.08577	15.4
133.10138	27.5
135.08060	5.2
135.11702	34.0
144.09325	1.6
147.11795	1.3
149.09685	1.9
149.13289	17.5
151.11191	4.7
159.11690	16.0
165.07022	1.4
166.27254	1.1
173.80843	1.1
177.12753	13.2
195.11877	1.8
195.13799	22.9
196.06747	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	195.138
Annotation	1alpha-Hydroxyisoondetianone
Peak:m/z	Relative Intensity
53.03940	2.1
55.01873	7.6
55.05515	13.0
57.03434	1.7
57.07080	2.0
67.05509	13.5
68.99788	9.4
69.03416	5.0
69.07071	17.2
69.35549	8.0
70.06599	1.8
71.04993	8.2
72.08106	1.2
79.05499	28.7
81.03425	1.5
81.07059	46.1
83.04982	3.9
83.08614	3.3
84.08134	2.1
85.06549	15.3
85.10170	2.6
89.03909	1.2
91.05487	15.2
93.07049	61.3
95.04969	4.6
95.08072	1.3
95.08621	16.3
97.06535	68.3
97.10170	4.8
98.06031	1.5
99.08070	4.9
101.06037	1.4
102.64232	0.9
103.05446	1.8
105.07036	15.8
107.04935	1.6
107.08599	42.7
109.06525	4.3
109.10159	6.1
111.08073	6.4
113.09649	1.1
117.03364	1.9
117.07060	1.6
119.08578	14.5
121.06509	3.3
121.10149	100.0
122.10471	1.2
123.08075	5.4
123.11707	2.7
125.09642	15.6
129.07022	1.1
130.96303	2.1
131.08553	5.4
133.10130	3.0
135.08095	4.8
135.11699	12.3
137.09648	5.1
137.13268	2.3
137.62209	1.0
142.59720	0.9
144.09326	2.3
145.02850	3.2
147.11671	3.6
148.97424	1.3
149.05949	1.9
149.09599	3.9
149.13258	25.0
151.11165	2.2
153.09119	12.9
153.12775	1.6
153.97935	1.3
159.11693	15.2
165.07001	2.7
165.12740	4.0
168.10126	1.4
177.05507	5.2
177.07120	0.9
177.12775	27.5
177.16373	5.9
185.42863	0.9
195.02959	1.7
195.06509	1.2
195.08206	2.1
195.10181	3.0
195.11743	3.0
195.13814	23.9
195.17418	1.5
196.09705	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.02357	0.6
53.03939	2.5
55.01876	3.9
55.05513	14.6
56.96559	2.4
57.03431	1.0
57.07081	3.0
59.04989	2.7
65.03931	0.7
67.05505	11.7
68.96342	0.7
68.99778	1.1
69.03426	2.2
69.07068	11.7
69.57529	3.3
70.06593	0.8
71.04997	3.0
73.06551	0.9
77.03906	0.9
79.05495	19.1
81.03413	1.0
81.07059	69.7
82.07384	1.1
83.04989	5.8
83.08602	1.5
84.04549	0.5
84.08147	2.7
85.02917	1.0
85.06561	3.6
86.09691	1.0
87.04458	0.9
89.03925	0.7
91.05484	10.4
93.03415	0.7
93.07047	48.2
94.07367	0.7
95.05006	2.6
95.08611	26.0
97.06538	3.0
98.06121	0.8
98.20676	0.6
99.04457	2.1
99.08105	1.0
101.06029	6.4
103.05472	1.0
105.04534	0.9
105.07039	8.5
107.04965	1.6
107.08599	47.8
109.06525	1.9
109.10184	4.2
111.04448	0.9
111.08096	1.3
115.07574	0.7
117.03378	1.8
117.07021	2.5
119.06027	0.7
119.08578	5.2
121.06518	5.2
121.10145	15.5
123.08105	0.8
123.11714	1.0
125.06002	1.0
125.09619	1.0
130.96349	0.9
131.08591	3.8
131.96164	0.7
133.10136	12.8
135.04492	0.7
135.08084	6.8
135.11696	100.0
136.07549	1.3
136.12015	1.9
137.09619	1.2
139.07530	2.5
139.11140	0.6
144.09415	0.7
145.02858	1.7
148.97400	0.7
149.05971	1.3
149.09628	3.0
149.13274	12.7
149.97221	0.9
151.11234	0.8
152.06219	0.6
152.51276	0.6
153.07153	0.6
153.09100	2.9
153.12769	0.7
153.97934	0.8
158.99738	0.6
159.11696	11.5
163.03824	1.1
163.07626	1.2
165.07013	2.3
166.07736	0.6
167.07188	0.7
167.08611	2.3
167.10657	0.9
168.10251	1.8
168.87633	0.5
171.99030	0.9
177.05495	3.2
177.09154	1.2
177.12753	25.9
177.16371	2.1
178.12996	0.7
179.08435	0.6
180.09357	2.5
195.02917	1.3
195.06500	2.3
195.08150	1.8
195.10156	2.0
195.11700	4.8
195.13821	13.1
195.15488	1.0
195.17418	0.9
196.09756	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	195.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03984	1.0
55.01931	1.4
55.05569	4.9
56.62524	0.4
56.96614	0.7
57.03493	1.0
57.07132	2.7
57.64668	0.5
58.59877	0.4
65.03983	1.1
67.05508	7.9
68.96384	1.1
68.99266	1.6
68.99794	54.8
69.03440	3.7
69.06719	0.9
69.07061	5.9
69.94408	2.0
70.06654	1.7
70.94268	0.5
71.05002	2.3
71.08664	0.6
79.05498	8.3
81.03425	4.2
81.07059	15.7
83.04986	6.1
83.08615	2.4
84.08150	3.0
85.02934	0.6
85.06612	1.7
85.10185	19.8
88.77911	0.5
89.03957	0.8
89.06058	0.9
91.05476	7.7
93.07049	14.9
95.04983	3.7
95.08601	6.6
97.06532	5.5
97.10217	0.8
98.21404	0.7
99.04504	0.6
101.06045	0.5
103.05531	0.8
105.07027	4.5
107.04986	2.4
107.08601	21.2
109.06526	3.3
109.10161	4.0
109.99032	0.5
111.04465	3.6
111.08092	2.4
111.11765	0.5
117.03412	1.3
117.07053	1.5
119.08607	2.4
121.06510	2.6
121.10149	16.8
123.08104	1.1
125.06037	0.8
125.09641	33.3
130.96283	0.7
131.08548	3.3
131.96196	1.3
133.10115	3.2
135.04515	0.8
135.08069	6.6
135.11699	6.6
136.07571	0.6
137.06020	2.4
137.09627	1.3
139.03912	0.8
139.07558	0.7
145.02835	3.2
148.97404	1.1
149.05997	1.6
149.09641	5.2
149.13263	5.2
149.97208	1.8
153.09109	100.0
153.97839	0.9
154.09486	1.3
155.07036	1.4
159.08180	0.6
159.11743	2.5
163.03928	0.6
165.06975	2.6
167.07080	0.4
167.08562	1.8
168.10240	1.4
171.98900	0.6
172.98889	0.7
177.05527	2.9
177.09099	1.6
177.12726	4.4
177.16357	1.0
178.08516	0.8
180.09398	2.2
195.02881	1.7
195.06395	1.9
195.08147	2.3
195.10098	15.5
195.11652	2.9
195.13770	4.7
195.15488	1.1
195.17412	0.7
196.09645	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.9458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04811	4.0
70.70988	12.4
94.93017	100.0
101.00907	5.7
131.14108	4.0
147.67833	4.2
178.15631	5.5
194.94618	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	194.1177
Annotation	(-)-Salsoline
Peak:m/z	Relative Intensity
53.03944	1.8
55.01861	1.3
55.05497	2.5
56.05027	1.9
56.96555	3.5
57.03424	1.0
60.05629	0.7
65.03959	1.6
67.05499	2.8
68.05031	4.9
69.03416	3.4
69.07052	1.5
70.06261	1.3
70.06602	16.1
71.04983	1.0
71.06930	0.9
71.19041	1.5
72.08148	3.3
72.93761	0.8
79.05149	0.7
79.05505	8.7
80.05034	4.0
80.06258	3.4
81.03415	1.5
81.07059	10.3
82.06583	1.8
83.04965	1.0
84.04510	3.9
84.08151	11.7
85.02909	1.3
86.06068	1.4
86.09703	2.6
87.04462	2.8
91.05490	3.8
93.05776	3.3
93.07056	6.0
94.06561	3.1
95.04937	2.2
95.08621	1.6
96.04471	1.3
96.08109	0.8
97.04009	5.1
97.06550	1.4
98.06035	2.1
98.97570	2.0
103.05450	1.3
105.07049	6.3
106.06570	8.2
107.04961	1.9
107.07347	1.4
107.08583	2.4
108.04463	2.5
108.08109	3.1
109.02866	1.6
109.06506	1.0
109.22315	0.8
110.06023	1.5
110.09722	1.2
111.05576	0.9
114.05522	2.8
117.11506	0.8
118.06590	1.3
119.01854	1.2
119.07331	1.5
120.08117	8.4
121.02831	1.2
121.06488	2.5
121.08868	1.9
121.10139	1.6
121.95803	1.0
122.06023	1.2
122.09688	4.0
124.04951	1.2
124.07566	1.3
127.03870	0.9
129.10226	2.3
130.08641	1.1
131.08568	6.0
133.06427	0.9
133.08885	1.9
133.10156	1.0
134.06006	4.0
134.09637	6.7
135.05608	0.9
135.08070	1.4
136.07593	3.0
137.04764	1.4
137.05882	1.1
138.05527	1.0
145.02837	1.7
146.05789	0.8
146.09613	1.4
147.06789	1.6
148.03958	1.4
148.07561	7.0
148.11212	31.5
148.97343	1.9
149.01219	2.2
149.05952	2.8
149.07062	1.3
149.09616	0.8
149.11989	3.6
150.05540	0.9
150.06703	1.1
150.96950	0.8
151.07532	1.2
152.07045	5.2
152.08115	1.5
162.04097	1.6
162.09154	2.5
163.05034	1.1
164.07086	17.8
165.07845	2.2
165.09131	6.9
166.08607	6.7
166.12308	3.9
170.91402	1.0
175.11867	1.3
176.03416	1.2
176.07054	2.8
176.10736	2.5
177.05426	2.0
177.09094	2.8
178.08650	4.2
179.09454	1.5
188.92505	4.1
189.00803	1.3
192.10185	7.0
193.93057	0.8
194.05402	1.8
194.08090	14.4
194.11777	100.0
194.15370	13.9
195.03000	1.1
211.93991	1.4
212.20815	0.8
213.97533	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.03
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99871	42.6
70.64941	2.1
75.86835	0.8
77.00916	8.0
81.01919	1.0
82.01454	55.0
83.01483	1.7
97.00106	0.8
100.02494	69.7
101.00894	2.9
101.02584	1.0
109.01380	1.9
113.00847	0.9
115.01174	1.9
118.03533	15.7
119.01915	3.1
123.04050	1.0
125.00861	11.9
127.02425	19.0
131.01875	0.9
143.01910	40.1
144.02072	0.9
145.03477	100.0
146.03676	1.8
148.02483	2.7
150.04041	2.6
153.00368	1.1
159.05092	1.1
161.02991	15.0
163.04539	47.1
164.04591	0.9
166.03517	34.8
167.03696	1.3
168.05089	40.0
171.01414	9.0
184.04562	12.4
186.06157	11.4
189.02475	17.7
191.06607	1.1
194.02989	16.0
207.03506	3.3
212.04054	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	193.1589
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
55.05515	8.5
57.07053	1.8
62.72086	1.8
67.05515	8.7
69.07082	24.1
69.66592	3.8
69.66998	7.1
71.05003	17.8
79.05501	9.7
81.03379	2.0
81.07069	23.6
83.08633	3.9
85.06557	15.9
89.71810	1.8
91.05500	5.5
93.07053	25.9
93.22205	2.0
93.82513	1.7
95.04979	37.4
95.08624	19.5
97.06540	2.9
97.10194	7.6
97.85673	1.8
99.08130	4.3
105.07056	9.0
107.08608	34.4
109.06534	100.0
109.10165	16.0
111.08099	7.3
119.08607	23.9
121.10165	8.3
123.08080	5.9
123.11720	23.0
133.02850	1.8
133.10155	22.6
135.11716	34.7
135.12706	2.5
137.09637	13.9
147.11708	5.4
149.13313	9.1
151.11230	6.7
156.92346	1.8
167.38583	1.9
175.14856	37.6
193.04967	2.9
193.15915	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99815	0.6
53.03728	0.7
53.03953	3.0
55.01867	2.3
55.05518	27.7
57.03444	1.6
57.07082	3.2
59.04999	1.2
65.03949	1.6
67.05512	22.7
68.04728	0.7
69.03436	2.1
69.07076	13.0
70.06594	1.6
70.40402	1.4
71.04999	2.8
75.95750	0.7
77.03928	0.7
79.05495	11.1
81.03426	22.3
81.07064	19.0
83.04992	20.2
83.08631	6.6
84.08121	1.0
85.02917	1.0
85.06556	14.2
85.07077	0.7
86.06865	0.9
91.05491	15.6
93.07053	19.0
94.07411	0.7
95.04984	11.6
95.06084	1.1
95.08616	23.2
97.02917	1.1
97.06532	1.8
97.10175	0.8
98.35210	0.6
99.04467	0.8
99.08105	100.0
100.08437	1.4
103.05493	1.7
105.04552	1.0
105.07043	21.6
107.04982	2.3
107.08607	19.6
109.06520	6.7
109.10166	40.7
110.10526	0.8
111.08096	10.9
112.02749	0.6
115.05466	1.3
117.07024	1.9
119.04987	0.9
119.08595	20.6
120.08064	0.8
121.06557	2.4
121.10148	11.5
121.10950	1.2
122.07300	0.9
123.04483	1.1
123.08072	16.0
123.11716	7.3
125.09641	1.0
129.07002	2.1
131.08592	4.1
133.02866	2.3
133.06519	3.6
133.10144	45.0
134.10529	1.3
135.08070	1.9
135.11707	22.7
137.06003	2.2
137.09624	18.4
137.13269	2.6
138.10410	1.9
139.11201	1.2
142.07805	1.6
143.02014	0.7
145.10106	1.2
146.97493	1.1
147.04445	1.6
147.06403	0.9
147.08078	2.4
147.11705	11.0
149.02364	1.3
149.05980	0.8
149.09636	1.9
149.13315	3.3
151.07582	1.3
151.11189	6.1
151.14841	6.9
157.10141	1.7
161.03079	0.7
161.05920	1.6
165.05531	1.2
165.12772	3.0
165.16440	2.8
169.98962	0.7
175.03976	0.8
175.07570	1.1
175.11195	5.3
175.14859	14.0
176.07111	0.9
178.02644	2.1
178.13094	1.1
193.04980	22.3
193.06775	1.2
193.08636	1.9
193.10420	1.9
193.12256	8.8
193.15895	58.8
194.05322	1.0
194.08115	1.5
194.15353	1.1
208.83704	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.6
55.01871	1.4
55.05512	8.5
57.07078	1.8
57.35092	1.1
67.05248	1.1
67.05509	14.6
69.07061	11.1
69.87158	2.2
69.87569	4.4
71.04981	5.4
79.05493	17.2
81.03403	1.9
81.06596	2.5
81.07056	43.0
82.85336	1.2
83.04952	1.4
83.08624	6.3
85.06538	4.9
91.05481	17.9
93.07044	55.1
95.04945	3.5
95.08610	37.9
97.06524	5.1
99.08092	2.3
105.07031	29.1
107.08598	62.4
109.06505	8.0
109.10136	13.9
111.08081	13.6
117.07048	1.4
119.08586	51.1
121.10132	7.0
123.08057	9.1
123.11720	7.5
125.09610	1.9
128.96407	1.3
131.08577	2.1
133.02794	1.7
133.10127	43.5
135.11696	100.0
136.12029	2.1
137.08676	1.7
137.09630	16.8
147.07951	1.2
147.11674	12.7
149.02306	2.5
149.13301	6.5
151.11183	3.0
175.14832	64.5
176.15082	2.2
178.02553	1.3
185.57202	1.2
193.04961	5.9
193.10320	3.9
193.12236	3.3
193.15884	59.5
195.56802	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
50.65281	1.5
53.03954	1.7
54.20142	1.4
55.05512	8.6
57.07069	1.9
67.05502	13.3
69.03459	1.6
69.07069	9.8
69.48407	10.3
71.05015	7.4
79.05497	14.2
81.07063	39.5
83.04972	1.5
83.08620	4.1
85.06548	4.1
89.77850	1.5
91.05497	17.2
93.07051	55.5
95.04946	2.9
95.08061	2.5
95.08617	29.9
97.06554	3.9
105.07040	28.0
107.08602	57.6
109.06535	9.3
109.07185	1.7
109.10162	10.8
109.32055	1.4
110.26685	1.7
111.08089	12.3
117.94881	1.7
119.08597	52.3
121.10169	7.6
123.08076	10.1
123.11701	6.8
131.08594	2.3
133.02834	2.3
133.10139	38.5
135.11702	100.0
137.09636	13.6
147.11700	10.5
149.13290	5.5
151.11171	2.7
165.12808	1.5
175.13306	3.1
175.14841	59.7
176.15143	2.0
193.04944	2.9
193.10442	1.9
193.12106	2.1
193.15894	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
50.91583	1.1
53.03936	1.3
55.05510	4.9
57.07085	2.4
59.05013	1.1
63.53213	1.3
65.03957	1.1
67.05511	7.8
69.07079	6.9
69.33463	5.0
69.33892	3.8
71.04998	6.0
79.05485	7.2
80.89981	1.2
81.03439	1.6
81.07063	12.4
83.04993	1.9
83.08620	1.8
85.06525	1.9
91.05482	9.5
91.28130	1.2
93.07050	16.0
95.04974	3.1
95.06126	1.2
95.08616	16.9
97.06529	3.0
99.08076	3.3
103.75771	1.1
105.07037	17.4
107.08599	32.9
109.06515	5.1
109.10162	42.8
111.08100	1.7
119.08594	28.7
121.10149	5.8
123.08073	4.7
123.11735	6.9
131.08591	2.3
133.02881	3.6
133.06500	2.5
133.10138	100.0
134.10434	1.3
135.11699	70.0
136.12018	1.3
137.06009	1.4
137.09627	5.4
145.10103	2.0
146.97475	1.9
147.11690	8.2
149.02345	1.5
149.13246	2.9
160.12561	1.7
165.06937	1.3
175.14836	56.0
176.15170	1.3
178.02670	2.2
178.07837	4.0
193.04991	14.6
193.06596	2.2
193.08618	2.6
193.10440	5.8
193.12276	2.8
193.15894	36.6
194.08287	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	193.1588
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
53.03944	2.7
55.05516	23.7
57.07063	6.4
59.04978	3.7
60.50819	2.0
63.23890	1.8
67.05514	26.1
69.03432	14.5
69.07072	19.1
69.41078	3.8
69.41480	13.9
71.04975	4.3
79.05495	9.2
81.07061	41.5
83.04993	24.6
83.08634	15.3
85.06541	7.4
91.05466	10.3
93.07061	23.6
95.04934	3.2
95.08622	67.7
97.06531	3.4
97.10162	3.2
99.08121	2.1
103.06980	1.9
105.07050	21.5
107.08607	65.0
109.06546	17.6
109.10168	86.2
111.07331	1.8
111.08064	9.2
119.08595	66.4
121.10155	36.2
123.08078	42.6
123.11685	10.1
125.09639	2.9
131.08557	2.6
131.73871	2.1
133.10146	54.4
135.11705	100.0
137.09637	30.3
138.10388	5.1
144.72105	2.0
147.11639	4.2
149.13293	19.6
151.11180	10.2
151.14839	7.9
158.65260	1.9
160.12500	2.8
165.16447	3.3
168.68715	2.3
175.14839	49.5
175.65114	2.2
193.15894	73.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.01870	1.5
55.05514	18.3
57.03418	2.5
57.07079	6.2
59.04994	4.7
63.20274	1.2
65.03934	1.5
67.05510	35.9
67.72549	1.3
69.03439	1.6
69.07076	11.3
70.06595	1.7
71.04984	3.8
79.05497	16.4
81.03408	4.7
81.07060	22.6
82.39129	1.3
83.04984	4.9
83.08604	3.7
85.06084	2.2
85.06554	26.9
85.07059	1.0
91.05473	14.1
93.07054	23.4
95.04971	7.0
95.08614	21.2
97.06554	1.8
97.10173	1.7
98.20720	2.5
99.08102	100.0
105.07037	19.7
105.55795	1.1
107.08605	27.2
109.06517	8.9
109.10165	65.6
111.08084	3.5
115.05447	2.4
118.04116	1.6
119.04948	1.3
119.08588	22.7
121.10152	9.5
123.08092	10.7
123.11721	9.8
131.08554	2.9
133.02872	7.9
133.06473	7.1
133.10141	26.4
135.08090	2.3
135.10692	2.7
135.11694	32.8
136.07547	1.9
136.08522	1.4
137.05997	4.0
137.09636	26.0
138.10362	2.5
147.04518	1.2
147.07988	2.2
147.11664	8.9
148.07593	2.0
148.66693	1.1
149.07973	1.9
151.11172	11.4
151.14786	1.9
157.10011	1.4
158.17844	1.5
161.05971	3.9
164.06897	1.4
165.12720	1.8
165.16403	4.6
175.11211	3.5
175.14876	10.2
177.07414	4.3
178.02571	4.7
178.08253	2.4
178.13066	2.7
179.16986	1.2
192.06577	1.5
193.04967	21.4
193.08669	2.2
193.10666	25.3
193.12238	4.3
193.15883	63.6
194.08133	1.9
194.11829	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	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03941	3.2
54.49000	2.1
55.05513	36.7
55.54721	2.7
57.03421	2.7
57.07067	7.1
59.04994	6.1
67.05509	48.1
69.03420	9.3
69.07063	19.8
69.48442	13.3
69.48851	4.5
71.04999	4.3
79.05502	19.3
81.03425	25.1
81.07063	33.7
83.04995	15.5
83.08634	13.0
85.06538	22.1
89.16899	2.6
91.05488	22.9
92.25256	2.4
93.07049	40.5
95.04967	16.7
95.06054	2.7
95.08614	53.8
96.08858	2.5
97.06525	6.1
97.10178	4.3
98.80795	2.2
99.08100	85.4
99.08760	4.3
103.05471	4.2
105.07043	41.2
107.04942	2.9
107.08608	48.1
108.48228	2.2
109.06551	16.6
109.10163	90.5
111.08097	8.5
119.04945	3.4
119.08585	50.1
121.06532	3.3
121.10149	33.0
123.08073	31.1
123.11662	15.3
129.07045	3.0
131.08598	5.5
133.02875	2.7
133.06499	10.0
133.10139	58.2
135.11711	63.7
137.09625	29.3
147.08038	4.5
147.11661	15.6
149.02373	4.0
149.13268	9.1
151.11159	12.8
151.14815	8.1
161.05980	6.2
162.40689	2.4
165.16379	4.4
175.11230	5.9
175.14825	40.6
193.05006	11.3
193.10475	6.9
193.12263	9.1
193.15898	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
53.03951	0.8
55.01878	11.1
55.05513	8.1
56.96552	2.3
57.07082	6.0
65.03925	1.5
67.05511	15.3
69.03434	1.0
69.07073	13.1
69.95978	3.3
71.04998	2.1
72.56156	0.7
76.28551	0.7
79.05502	9.3
81.03415	1.2
81.07060	47.9
82.07390	0.9
83.04977	3.5
83.08629	12.5
85.06530	1.7
91.05493	11.3
93.07053	42.2
94.81586	0.8
95.04969	6.2
95.08615	70.7
96.08937	1.3
97.06524	2.5
97.10155	1.0
103.05441	1.3
105.07038	28.0
107.08598	24.9
109.06532	13.8
109.10164	19.0
110.29004	0.8
111.08092	17.8
117.07073	1.3
119.05016	0.9
119.08592	34.6
121.10147	8.6
123.08072	3.3
123.11713	3.4
125.09627	1.8
129.09125	1.6
131.08548	1.6
133.02873	1.8
133.06467	2.6
133.10139	25.0
135.11702	27.8
136.12000	1.1
137.05980	1.2
137.09619	7.8
137.51646	0.8
147.11696	14.5
149.06020	0.9
149.13275	13.3
151.07553	1.1
151.11182	2.2
151.14835	7.2
153.83752	0.7
157.10054	0.8
161.05861	0.9
165.05540	1.3
165.16364	1.3
175.11209	1.5
175.14839	38.0
176.15173	1.2
178.02708	1.8
193.05017	9.5
193.08603	1.6
193.10381	3.4
193.12222	3.1
193.15891	100.0
194.16142	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	193.0499
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
50.55886	0.2
51.02381	0.3
53.03948	0.4
58.65988	0.2
59.05005	0.5
66.04728	0.4
67.05511	0.4
68.99802	0.3
69.03420	0.2
69.46667	1.2
69.47092	0.8
77.03933	0.7
79.05507	0.7
81.03429	0.5
84.08167	0.5
89.03928	1.1
91.05489	1.3
93.94614	0.3
94.03669	0.3
94.04173	1.2
94.40553	0.3
95.04996	0.8
103.05452	0.3
105.03416	1.5
105.07042	1.5
106.04169	0.3
109.06526	0.6
115.05472	0.3
117.03383	0.8
119.04894	0.5
119.08585	0.6
122.03658	6.4
133.02866	45.4
133.06491	0.9
133.10146	0.7
134.03233	0.4
135.04436	0.4
137.05988	11.8
147.11694	0.5
149.05995	3.1
150.03145	4.7
151.03905	0.3
151.11227	0.3
161.02348	0.9
161.05975	1.4
165.05496	4.3
175.11163	0.4
178.02628	25.3
179.02953	0.3
193.04977	100.0
194.05313	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	193.0499
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
53.03952	0.5
55.01871	1.0
55.05521	0.9
56.05047	0.4
59.05008	0.5
60.04532	0.3
63.68826	0.3
65.03949	0.7
67.05504	1.2
69.03432	0.9
69.07063	0.7
70.06594	1.9
71.04990	0.4
71.49550	0.4
72.08158	0.5
77.03934	0.7
79.05495	2.6
81.03434	1.1
81.07076	1.8
83.04984	1.0
84.08146	0.9
85.02879	0.3
85.06577	0.4
86.72269	0.3
89.03931	1.4
90.04661	0.3
91.05485	4.2
93.07054	1.3
94.04208	1.2
95.04988	1.8
95.06100	1.2
95.08604	0.9
103.05462	1.5
105.03407	1.9
105.07037	12.2
106.07356	0.3
107.04958	0.7
107.08602	0.8
108.08099	0.3
108.24569	0.3
109.06500	1.8
109.10170	0.8
115.05454	2.3
116.07056	0.3
117.03373	0.7
118.04183	1.2
119.04957	1.1
119.08566	2.3
121.02859	0.3
121.06490	0.5
122.03651	5.8
123.04439	0.6
123.08070	0.8
123.11696	0.3
129.10152	0.4
131.04942	0.6
131.08589	0.7
132.08925	0.3
133.02863	43.2
133.06499	8.7
133.10135	2.4
134.03609	0.5
135.08051	0.5
135.11720	0.7
136.07545	0.6
137.05994	12.5
137.09641	0.8
142.20702	0.3
143.06035	0.7
146.03838	0.3
146.97459	0.5
147.04439	0.9
147.08064	0.7
147.11693	3.2
148.07556	0.3
149.02374	0.8
149.05978	3.2
150.03136	5.6
151.11113	0.6
161.02351	1.2
161.06003	8.1
165.05484	4.5
165.07507	0.3
165.12764	0.4
169.99078	0.4
175.07556	0.5
175.11241	1.0
175.14853	0.6
177.07436	0.4
178.02623	25.5
179.02884	0.4
193.04976	100.0
193.12248	1.3
193.15852	1.1
193.17282	0.5
194.05331	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	192.1019
Annotation	Dihydrobackebergine
Peak:m/z	Relative Intensity
55.05505	0.6
56.96569	0.3
59.48449	0.3
65.03928	0.3
67.05500	0.7
68.05008	0.3
70.06592	0.3
71.05005	0.4
71.29946	0.6
72.04533	0.3
72.08141	0.5
79.05486	0.8
81.03405	0.6
81.07045	0.6
83.04996	0.4
91.05495	1.3
92.05804	0.4
93.03409	0.5
93.07032	0.8
95.04958	0.4
95.06089	0.6
95.08619	0.5
97.02910	0.3
99.08076	0.4
103.05492	0.5
104.05802	0.3
105.07037	2.0
106.07337	0.3
107.08584	0.8
108.08894	0.4
109.02907	0.3
109.06546	0.3
109.10142	0.4
109.34888	0.2
110.06055	0.4
111.04456	0.9
112.03971	0.7
118.06517	0.9
119.08585	0.8
121.06516	0.3
121.10160	0.5
122.10522	0.3
123.91914	0.2
130.06532	0.6
131.04955	0.3
131.07323	2.8
131.08337	0.5
132.08049	0.4
132.08934	0.5
132.95831	1.0
133.06500	0.7
133.10133	1.5
134.06000	0.4
135.11775	0.4
136.08441	0.3
137.09590	0.3
146.06042	1.2
147.06810	0.4
147.11638	0.6
148.05164	0.5
148.07576	12.3
149.08252	0.4
150.06787	1.3
150.96890	0.5
152.47914	0.3
159.06807	1.1
160.05084	3.1
160.07556	1.7
161.08319	0.7
162.05516	0.9
163.06305	4.7
164.10782	0.3
165.09111	1.0
173.56149	0.3
174.05525	2.6
174.07628	0.5
174.09087	0.3
174.13632	1.0
176.07086	21.0
177.07864	16.5
178.08206	0.4
192.10201	100.0
193.04959	0.7
193.08762	0.4
193.10538	2.4
193.12189	0.4
193.15898	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.102
Annotation	Ephedroxane
Peak:m/z	Relative Intensity
50.01525	0.4
55.05507	0.6
56.96571	2.1
58.99564	0.4
60.04533	1.5
62.74689	0.3
65.03942	0.9
66.12456	0.4
67.05515	0.6
68.05033	0.7
69.03435	0.5
69.07099	0.4
70.06599	1.4
70.61414	0.9
72.04507	0.6
72.08161	0.4
72.93771	1.7
73.02934	0.4
73.23295	0.3
74.00671	0.4
76.18318	0.3
79.05505	0.4
81.03411	0.4
82.06583	0.7
83.04989	1.3
84.04496	0.6
84.08134	0.8
85.02927	0.5
86.00649	1.0
86.09715	0.7
88.03987	0.4
90.94846	1.3
91.05486	0.9
93.03410	1.4
94.06578	2.8
94.72266	0.3
95.04992	0.5
95.06124	1.5
96.04476	0.6
97.02909	1.4
98.09681	0.6
98.97605	0.4
99.00825	1.0
103.05473	0.4
104.04990	2.0
104.94900	0.5
105.07054	0.6
109.02868	0.4
110.06062	1.5
110.07201	1.4
111.04456	5.6
112.03969	5.6
114.05542	1.6
114.94832	0.3
115.03958	0.4
116.10758	0.8
116.13232	0.4
118.06563	1.3
119.04948	0.3
120.04501	0.5
120.08125	0.7
121.06492	0.4
122.05988	0.4
122.95959	2.2
128.04994	0.7
132.01193	1.9
132.04507	1.8
132.05338	0.3
132.08067	0.4
132.95850	6.2
135.06773	0.7
136.06187	1.5
136.07584	0.8
138.05504	1.1
139.03903	1.5
140.98636	0.5
145.03458	0.5
146.03587	0.8
146.06018	17.3
146.09671	2.1
147.06400	0.4
148.07574	3.3
149.08369	8.2
149.96138	0.9
150.05519	1.6
150.96909	5.0
151.07582	0.5
156.06537	1.6
157.05020	0.4
158.99619	0.8
160.05096	1.8
164.07028	0.6
164.10706	0.6
167.97166	1.0
168.96634	0.6
169.05211	0.6
174.05499	2.2
174.07654	1.1
174.09048	0.5
174.14873	0.6
176.07088	1.5
177.07858	58.4
178.08186	1.1
186.99207	0.6
191.97188	1.0
192.06532	3.5
192.08778	5.2
192.10202	100.0
193.04961	0.7
193.10603	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.077
Annotation	Carbendazim
Peak:m/z	Relative Intensity
55.05500	0.7
56.05030	0.3
60.04531	0.6
65.03927	0.7
67.05504	0.7
68.02439	0.3
68.05027	1.6
69.07067	0.7
69.60107	0.6
69.60510	1.6
70.06601	0.8
71.04986	0.9
72.08151	0.8
72.93794	0.8
79.05486	0.5
81.03428	0.4
83.06111	2.1
84.08171	0.5
86.09713	9.6
87.10040	0.7
89.67390	0.3
90.94821	0.7
91.05498	0.8
93.03409	0.6
93.04536	1.1
93.07044	0.4
95.06099	20.4
97.02892	0.5
105.07021	1.0
106.06490	0.4
106.07311	0.3
107.08565	0.3
108.04484	0.3
109.02882	0.4
110.07176	16.9
111.04454	2.4
111.06833	0.5
111.07523	0.5
112.03954	1.6
118.06577	0.4
119.08562	0.4
120.08137	0.4
122.06851	0.3
131.07291	0.3
131.08621	0.4
132.05585	2.4
132.08939	1.2
132.95851	3.0
133.06429	0.6
133.12483	0.3
134.10435	0.3
135.05525	0.6
135.07948	0.3
136.06200	1.5
136.07434	0.3
138.05551	0.6
138.06612	0.7
139.03941	0.5
146.06036	1.4
146.10559	0.4
147.04468	0.4
147.11752	0.7
148.07582	1.0
150.96928	2.8
156.06529	0.4
156.07718	0.5
160.05075	100.0
161.05406	0.9
164.07076	0.5
166.06078	0.5
167.97238	0.5
174.05557	0.7
174.07640	0.7
174.09074	0.6
175.11284	0.3
176.07095	0.8
177.07852	1.1
178.13393	1.2
191.97256	0.6
192.07697	16.2
192.10251	5.4
192.13760	0.7
192.15092	0.4
192.17484	1.1
193.04976	1.3
205.99127	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03938	3.6
55.05516	27.8
57.07070	7.1
62.02811	1.0
67.05507	24.3
69.07076	29.5
69.52765	4.1
69.53175	2.3
70.81834	1.1
71.08603	1.4
72.63711	1.0
79.05078	1.9
79.05501	28.8
81.06594	2.6
81.07059	48.5
83.08630	20.5
91.05479	12.7
93.07050	72.8
95.04958	2.1
95.08614	65.4
97.10183	12.9
105.07028	11.6
107.08601	75.0
109.06524	1.3
109.10166	59.9
111.11700	2.6
117.07023	2.0
119.08579	7.9
121.06538	1.2
121.10152	83.0
123.08095	1.4
123.11714	12.4
131.08574	6.6
133.10117	4.7
135.08118	2.6
135.11702	100.0
136.12032	1.7
145.10144	3.8
147.11716	2.0
149.13277	26.6
152.50664	1.4
161.09604	2.1
163.14841	3.5
166.58136	1.4
173.13252	3.0
176.11916	1.7
191.07045	1.7
191.10681	4.5
191.14330	19.7
191.17966	82.5
192.10179	2.7
192.18350	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	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03935	1.4
55.01857	4.0
55.05510	5.9
56.96590	1.3
57.07068	3.4
59.04993	3.7
65.00664	1.2
65.03936	1.8
67.05512	15.7
69.03433	6.1
69.07067	13.1
71.05003	19.1
74.59741	1.2
76.29739	1.3
77.03902	1.3
79.05495	19.0
81.07075	18.1
83.04979	5.3
83.08608	4.2
85.06553	11.4
87.99089	1.3
91.05483	29.0
93.06490	1.8
93.07051	27.1
93.74776	1.2
95.04983	18.6
95.08622	23.3
97.06532	20.4
98.21521	4.8
98.54676	1.1
103.05484	6.1
105.07043	45.1
107.04961	3.9
107.08602	63.1
109.06531	13.5
109.10175	15.3
111.08064	5.9
115.05451	3.6
116.06301	1.8
117.07025	11.3
118.04240	1.7
119.08597	18.5
121.06544	8.3
121.10158	50.5
123.08080	10.6
129.07011	4.4
130.07787	2.3
131.04900	4.0
131.08578	40.5
133.06554	2.4
133.07478	1.4
133.10141	43.9
135.08066	90.3
135.11668	9.5
137.09686	2.0
143.08562	4.0
144.09349	1.8
145.06534	2.1
145.10132	17.8
146.05992	1.7
147.08054	2.9
147.11710	28.3
148.05205	2.6
148.07625	1.7
148.08850	1.7
149.06015	1.8
149.09644	11.6
149.13280	19.9
158.10950	13.4
163.07558	5.7
163.11166	3.6
163.14815	3.0
165.06973	2.4
171.11722	1.3
173.09601	2.9
173.13283	58.8
174.13548	1.5
176.04674	1.7
176.07123	2.1
176.11955	2.9
177.07854	3.6
189.06979	8.8
190.07799	19.6
191.03419	4.0
191.07085	4.7
191.08586	59.3
191.10619	8.6
191.14325	100.0
191.17894	3.4
192.09094	1.5
192.10280	14.2
192.14629	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.85714	1.3
53.03928	1.8
55.01869	2.7
55.05518	6.9
57.07071	1.9
58.11230	1.4
65.03938	1.7
67.05180	2.5
67.05510	31.0
69.03428	4.8
69.07065	9.0
71.04998	19.4
79.05490	17.4
81.07064	19.1
83.08611	5.9
85.06560	11.4
90.40170	1.3
91.04977	2.4
91.05491	27.4
93.07049	20.7
95.04964	15.2
95.08607	23.8
97.06531	8.0
97.10168	1.2
98.03562	1.2
98.67023	1.2
103.05486	1.3
105.07040	44.8
107.04971	1.9
107.08600	55.3
109.06525	29.5
109.10164	100.0
111.08062	3.7
115.05468	3.6
116.06245	1.8
117.07018	7.1
119.06025	1.9
119.08585	14.5
121.06517	7.1
121.10147	44.2
121.72824	1.6
123.08068	23.4
129.07025	4.3
131.08572	52.2
133.06464	2.4
133.10146	26.1
135.08061	92.4
135.11639	7.7
143.08556	5.3
144.09315	1.5
145.10144	15.0
147.08051	3.0
147.11679	14.6
149.09634	16.2
149.13280	11.8
150.10368	4.0
158.10933	9.6
161.09677	4.1
163.14810	3.5
171.11743	1.6
173.13280	51.4
191.14317	91.5
191.17972	5.9
192.10283	1.9
192.14703	2.3
204.26488	1.4
206.62399	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03949	1.5
55.05513	4.0
57.03439	1.1
57.07071	1.5
59.05005	0.6
67.05502	5.3
69.03432	13.1
69.07069	5.1
70.15755	1.2
70.16138	1.3
71.04990	0.9
79.05492	11.0
79.05918	0.9
81.03419	1.1
81.07056	11.2
83.04991	3.1
83.08614	1.1
84.25026	0.6
85.06544	0.9
86.54484	0.5
91.05485	9.6
93.07040	9.1
95.04964	1.4
95.08596	4.4
97.06553	0.7
98.21442	0.6
103.05476	0.9
105.06316	0.7
105.07027	13.8
107.04945	7.0
107.08596	24.7
109.06527	1.5
109.10164	9.0
115.05423	1.0
117.07021	2.5
118.07801	1.3
119.06102	0.5
119.08585	5.1
121.06513	2.5
121.10141	16.0
122.07293	2.0
123.08071	1.9
129.06999	1.6
131.08571	10.0
133.10130	100.0
134.10532	1.7
135.08047	5.1
135.11687	2.7
137.09616	12.8
143.08563	3.8
144.09335	1.0
145.10120	5.1
147.11694	3.8
149.09624	2.3
149.13268	12.6
158.10909	5.7
158.30005	0.6
163.14806	3.0
173.13268	18.8
179.09309	0.5
191.08556	1.3
191.14307	23.8
192.10184	1.2
197.28313	0.6
212.12851	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1433
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
52.92822	0.9
53.03940	2.2
54.93484	0.9
55.01867	2.1
55.05305	0.9
55.05522	7.6
55.71711	0.8
57.03426	3.1
57.07073	2.8
59.04992	2.2
65.03944	1.6
67.05513	8.4
68.94321	0.7
69.03450	6.0
69.06778	0.9
69.07078	9.3
70.06584	0.7
71.05005	5.8
71.06905	2.1
71.39831	1.1
72.09354	0.8
72.93793	0.8
74.09721	1.1
77.03948	1.0
79.05500	15.9
81.03420	1.1
81.07069	13.4
83.04984	6.2
83.08624	3.4
84.08130	1.1
85.06539	3.5
86.09706	0.9
91.05495	31.8
93.07053	22.5
95.04975	6.6
95.08620	12.1
97.06538	8.4
102.51237	0.9
103.05476	4.3
105.07045	51.5
107.04974	4.7
107.08611	37.2
109.02903	1.0
109.06543	7.6
109.10181	9.9
111.04465	1.5
111.08115	2.4
115.05465	2.9
116.06263	1.2
117.07032	12.5
119.04958	0.9
119.06203	0.9
119.08599	28.0
120.04411	0.9
120.08126	9.7
121.02837	0.9
121.06515	9.8
121.10159	21.3
123.08114	6.5
128.06229	2.0
129.07040	6.7
130.07791	3.1
131.04893	1.2
131.08586	70.0
133.10146	100.0
134.10432	1.0
135.08067	16.7
135.11688	5.9
136.06206	2.3
136.08841	0.9
137.09630	1.7
143.08578	13.4
144.09354	3.9
145.06494	4.1
145.07643	2.1
145.10139	36.9
146.06039	1.6
147.08049	4.2
147.11722	14.8
148.08830	1.5
149.06013	1.4
149.09633	17.0
149.13278	21.7
155.04964	0.9
155.08627	1.0
156.09297	1.2
158.10936	18.3
160.05110	4.4
161.09589	1.0
161.13269	1.5
163.07552	4.4
163.11226	4.7
163.14859	4.4
171.11688	1.5
173.05983	3.0
173.09734	6.8
173.13287	67.1
176.04633	1.4
176.12009	1.7
177.04216	11.3
177.07796	1.3
191.03418	1.9
191.06975	3.1
191.08537	1.5
191.10655	17.4
191.14333	65.5
192.06534	5.8
192.10123	4.2
203.58337	0.8
206.30368	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.05519	5.3
57.03416	1.1
57.07061	2.1
67.05510	5.4
69.03090	1.5
69.03433	20.1
69.07066	4.5
70.94759	2.4
71.04967	1.4
79.05080	1.0
79.05501	15.8
81.03429	1.2
81.06573	1.3
81.07055	12.7
83.04996	4.9
83.08617	1.6
85.06552	1.0
90.64748	0.8
91.05479	13.5
91.79710	0.8
93.07052	8.7
95.04987	2.9
95.08608	6.9
97.06539	1.3
103.05473	1.4
105.07037	17.9
107.04954	7.5
107.07880	1.8
107.08603	29.1
107.92195	0.8
109.06515	2.2
109.10161	9.5
109.30030	1.0
111.04511	0.9
111.08099	1.4
112.34899	0.8
115.04700	0.8
115.05450	1.7
116.06229	1.1
117.07007	2.6
119.08594	6.4
121.06499	4.4
121.10156	19.7
122.07275	2.3
123.08051	4.1
129.07030	1.5
131.08583	12.2
133.10138	100.0
134.10446	1.0
135.08049	9.4
135.11688	4.9
136.23335	0.9
137.09624	15.8
139.22826	0.8
140.29428	0.9
143.08577	3.7
144.09341	1.4
145.10123	9.2
147.11705	3.3
148.07579	1.3
149.09621	7.8
149.13271	12.2
151.23405	0.9
158.10928	8.0
163.14825	4.5
173.13278	25.5
174.13603	1.0
180.11972	1.0
191.03445	1.1
191.06978	1.3
191.08527	2.2
191.10670	2.7
191.14322	34.5
191.16101	1.7
192.10181	5.3
199.78352	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1069
Annotation	Schiffnerone B
Peak:m/z	Relative Intensity
53.03953	3.1
55.01874	6.3
55.05509	4.1
56.96582	1.6
57.03432	1.0
57.07078	1.1
65.03951	1.7
67.05510	13.3
69.03437	3.3
69.07075	7.2
71.01360	1.1
71.05003	2.9
71.50381	1.1
73.02919	0.8
74.09740	0.8
79.05499	23.6
81.03428	1.6
81.07059	14.8
83.04973	5.2
83.08617	2.7
85.06559	1.8
91.05485	22.7
93.07056	18.7
95.01348	1.0
95.04974	13.1
95.08613	7.6
97.06547	13.5
98.99147	0.6
99.04465	0.7
103.05484	2.9
105.06405	1.0
105.07046	13.0
107.04964	100.0
107.08603	19.8
108.04399	0.6
108.05264	1.4
109.02870	1.3
109.06522	7.7
109.10162	10.4
110.07128	0.7
111.04443	2.0
115.05476	2.2
116.06239	1.3
117.07025	12.8
119.08588	9.7
121.06514	8.8
121.10151	18.6
123.04462	2.7
123.08064	3.5
123.11695	0.7
125.06042	1.0
128.06216	0.9
129.05418	0.7
129.07022	5.1
130.07791	2.3
131.04932	6.2
131.08574	18.7
132.05673	1.6
133.02747	0.8
133.06580	1.5
133.10126	8.8
135.04436	1.0
135.08067	15.1
135.11714	9.9
137.06055	0.8
143.08560	2.4
144.05737	1.0
144.09372	1.2
145.06508	8.7
145.10132	25.6
146.05991	1.6
147.08043	3.9
147.11716	4.9
148.07541	1.9
149.06009	1.9
149.09639	6.9
149.13301	4.5
150.10368	0.9
155.08583	9.4
158.07271	1.9
158.10921	2.0
160.05075	3.2
161.09596	1.2
163.07529	2.1
163.11194	18.5
163.14847	1.2
164.43021	0.7
171.11743	0.8
173.05969	0.8
173.09630	28.8
173.13249	9.7
174.09021	1.0
176.07047	1.7
177.07750	1.6
190.07753	1.0
191.03423	2.2
191.05305	1.1
191.06854	4.2
191.08574	3.3
191.10667	31.1
191.14316	25.7
191.17973	4.3
191.19397	0.7
192.06598	1.2
192.10155	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	191.1068
Annotation	Schiffnerone B
Peak:m/z	Relative Intensity
53.03941	2.5
55.01876	15.7
55.05515	5.1
57.03423	1.1
61.75891	0.8
65.03934	1.8
67.05511	29.4
68.99792	1.0
69.03423	2.3
69.07072	5.8
71.01363	1.4
71.04974	1.3
71.23289	0.9
71.23642	1.3
71.77207	0.7
73.02905	2.2
77.03938	1.8
79.05497	40.4
81.03397	1.7
81.06599	1.1
81.07061	20.4
83.04993	6.9
83.08598	0.9
83.17700	0.7
85.02917	1.1
85.06498	1.5
89.03887	0.9
91.05489	37.1
93.07051	49.3
95.04971	9.0
95.08603	3.6
97.02925	1.0
97.06539	11.4
99.04441	1.0
100.45628	0.7
103.05480	3.9
105.04505	1.1
105.07037	20.0
107.04958	12.0
107.08601	38.5
109.06525	6.5
109.10155	2.4
111.04459	7.9
115.05444	3.5
116.06264	1.1
117.07021	20.7
119.08585	25.4
121.06520	16.2
121.10155	35.4
123.08060	1.7
125.05979	2.3
128.06233	1.1
129.06996	10.1
129.98387	0.8
130.07790	3.6
131.04907	5.0
131.08580	38.1
132.05676	1.8
133.10135	5.4
135.04402	0.8
135.08067	10.2
135.11702	30.9
143.08598	2.2
145.06508	8.0
145.10139	59.2
147.08029	4.5
147.11703	10.3
149.05984	1.8
149.09630	13.5
149.13309	1.9
153.20482	0.8
155.08562	11.2
158.07352	1.5
161.09492	1.1
163.11194	100.0
164.11519	2.3
173.08128	2.0
173.09636	38.5
173.13226	4.3
181.12224	3.6
189.06958	2.4
190.07753	4.7
191.03410	4.6
191.08582	10.9
191.10672	77.9
191.14316	14.6
192.10144	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	191.1068
Annotation	2,6-Dimethyldeca-2,4,6,8-tetraenedial
Peak:m/z	Relative Intensity
51.02368	1.1
53.03929	3.6
55.01871	15.5
55.05503	4.3
57.03434	1.6
60.68837	0.9
65.03943	2.9
65.75562	0.9
67.05507	30.0
69.03419	3.1
69.07064	6.2
71.01341	3.8
71.04993	1.3
71.07944	1.9
77.03917	2.0
79.05493	37.8
79.13871	0.9
79.67529	0.9
81.03399	1.3
81.07058	20.0
83.04984	9.3
85.06571	2.0
88.43245	0.9
91.05481	49.3
93.06489	2.0
93.07044	24.5
95.04971	35.1
95.08601	3.4
97.06541	15.9
103.05465	3.3
105.04510	1.6
105.07030	16.6
107.04958	91.5
107.08604	18.9
109.02840	1.4
109.06516	13.5
109.10141	1.8
111.04433	3.1
115.05438	4.6
116.06236	2.2
117.07018	29.0
119.08582	13.5
121.02909	1.8
121.06512	9.1
121.10147	19.8
122.52077	1.0
123.04449	6.0
123.08070	2.3
125.05978	4.3
128.06155	2.0
129.07001	16.8
130.07779	3.9
131.04922	10.7
131.08568	38.0
132.05711	2.9
133.06445	1.0
133.10156	5.7
135.08054	9.1
135.11697	12.8
137.05948	1.1
143.08578	2.7
144.05724	2.3
145.06494	22.7
145.10123	51.7
146.10382	1.9
147.08040	8.1
147.11679	3.3
148.08868	1.3
149.09645	8.3
149.13248	2.4
153.07007	3.7
154.07735	1.6
155.06021	1.5
155.07239	1.7
155.08549	38.7
158.07292	2.7
163.11183	44.4
164.11523	1.1
173.09628	100.0
173.13092	4.6
174.10052	1.8
176.07002	1.0
191.10674	74.8
191.14311	14.8
192.10306	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	191.1068
Annotation	2,6-Dimethyldeca-2,4,6,8-tetraenedial
Peak:m/z	Relative Intensity
53.03938	5.6
55.01878	17.2
55.05515	7.7
57.03426	2.7
57.07074	3.3
64.30334	1.7
65.03944	3.9
67.05508	42.0
67.19991	1.6
69.03413	6.0
69.07070	10.8
71.01344	3.8
71.04978	4.9
71.50594	2.1
79.05500	53.5
81.03430	3.7
81.07068	29.9
83.04985	12.9
83.08614	3.1
85.06525	3.9
91.04908	2.9
91.05485	59.8
93.06487	2.3
93.07055	36.7
95.01310	4.4
95.04982	41.3
95.08612	11.1
97.06541	19.2
97.10152	1.8
99.16730	1.5
99.33502	1.6
103.05449	4.5
105.03288	2.3
105.07039	31.5
107.04962	100.0
107.08605	38.8
108.56278	1.6
109.06524	18.2
109.10166	19.5
109.34097	1.6
111.04450	3.1
115.05459	5.5
116.06197	2.3
117.06239	2.7
117.07024	39.9
117.48349	1.5
118.06564	2.1
119.08591	19.7
121.02865	1.5
121.06504	16.2
121.10149	35.5
123.04428	5.8
123.08067	9.5
123.11695	1.5
125.02361	2.0
125.05999	4.2
128.06233	1.8
129.07010	22.2
130.07777	6.6
131.04947	12.4
131.08578	55.6
132.05685	3.4
133.10133	16.6
135.04410	1.8
135.08058	30.1
135.11697	16.5
137.05922	1.7
143.08562	4.9
144.05585	2.3
145.06500	20.3
145.07594	2.2
145.10133	65.2
146.05992	3.7
147.08058	11.5
147.11699	8.2
148.07558	3.6
148.08795	2.0
149.05974	4.9
149.09616	13.8
149.13248	4.8
153.07007	1.7
155.08582	42.0
158.07303	2.7
158.10912	4.4
160.05080	4.1
161.09552	2.0
163.07549	3.3
163.09872	2.9
163.11195	43.4
163.14742	2.5
172.93452	4.6
173.09631	94.3
173.13217	16.7
175.11087	2.0
176.06995	2.6
177.07854	3.2
190.94507	5.4
191.03284	2.0
191.05481	2.0
191.06970	5.4
191.08647	4.4
191.10664	87.0
191.14302	46.9
191.17961	5.7
192.06477	3.8
192.10175	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	191.1068
Annotation	Schiffnerone B
Peak:m/z	Relative Intensity
53.03947	6.9
55.01875	17.2
55.05500	8.4
57.03452	2.3
65.03928	5.5
67.05504	36.7
69.03431	4.6
69.07078	10.2
71.01337	2.8
71.50327	2.6
79.05072	3.3
79.05497	48.3
81.03399	5.1
81.07057	32.6
83.04989	15.3
83.08608	3.2
85.06553	3.9
86.91584	2.0
91.05491	60.8
93.07050	38.9
95.01331	4.4
95.04982	36.8
95.08628	12.4
97.06544	17.1
100.02495	2.4
103.05453	4.4
105.07027	29.8
107.04962	93.7
107.08593	36.2
109.06514	19.7
109.10168	17.5
111.04448	7.3
115.05427	6.7
116.06242	2.9
117.07027	38.0
118.06559	2.4
119.08588	19.8
120.52699	2.6
121.02863	2.5
121.06508	18.4
121.09347	2.6
121.10152	36.2
123.04498	11.3
123.08073	5.8
123.11666	4.8
125.06054	3.9
128.06181	3.3
129.06993	15.1
130.07764	6.6
131.04977	13.4
131.08582	50.1
132.05693	3.6
133.06392	2.7
133.10135	15.8
135.04405	4.1
135.08083	21.4
135.11694	23.4
143.08556	3.8
144.05666	3.5
145.06494	25.1
145.07561	4.0
145.10135	66.6
146.06010	5.4
147.08070	11.2
147.11705	7.5
148.07500	4.6
149.05959	3.0
149.09613	12.4
149.13237	7.7
153.06937	3.3
154.07831	2.3
155.06027	3.5
155.08571	32.0
158.07254	4.7
158.10883	5.1
160.05060	7.8
160.79659	2.2
161.09543	2.6
163.07523	3.2
163.11188	43.1
172.93452	7.5
173.09645	100.0
173.13260	16.7
176.06979	2.3
190.92903	1.9
190.94485	12.6
191.06961	7.0
191.08630	4.2
191.10657	87.7
191.14314	39.9
191.17972	6.1
192.10162	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.44712	0.8
61.02937	1.0
62.02922	0.9
65.02457	1.3
66.20035	0.8
70.24081	2.2
71.26440	0.8
73.02926	1.5
78.95626	1.5
80.06676	0.7
82.01445	13.5
84.04498	2.5
85.02911	1.6
89.12362	0.9
93.03404	1.5
97.00136	2.0
97.02889	1.3
98.97601	1.3
100.02489	20.9
102.02277	0.9
109.01343	1.5
111.04486	5.8
111.37493	1.0
112.04009	4.0
115.01166	4.0
115.02466	1.8
118.03523	4.8
118.04276	1.1
119.01910	1.3
127.02424	18.0
131.01909	0.8
133.03455	1.4
138.05435	1.1
139.04033	0.8
145.03474	100.0
146.03593	2.0
150.04004	5.5
161.03004	1.1
163.04536	32.5
164.04654	1.3
168.05078	81.8
169.05237	2.1
186.03325	1.3
186.06122	24.4
191.06691	1.8
192.08710	1.3
209.07755	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1228
Annotation	1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine N-oxide
Peak:m/z	Relative Intensity
55.05524	7.3
61.66283	0.8
64.44320	0.8
70.06607	1.1
70.12910	3.2
72.08163	24.6
73.02919	1.7
73.35570	0.8
91.05490	100.0
92.05798	1.3
95.06133	1.5
103.05519	1.1
115.05479	0.8
117.07014	2.1
118.06551	9.9
120.08122	25.7
129.88748	0.8
130.06537	38.4
132.08087	1.4
136.06218	2.0
136.07602	6.3
143.07289	2.4
144.08104	30.4
144.09253	1.6
148.06203	3.0
148.07587	4.3
159.76454	0.7
160.07545	1.5
162.05496	4.9
172.07579	6.9
190.04994	2.3
190.08783	3.8
190.10910	4.0
190.12288	85.0
191.12692	2.0
200.17979	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0864
Annotation	3-Indolepropionic acid
Peak:m/z	Relative Intensity
52.70710	0.4
55.01873	1.1
55.05512	0.8
56.07855	0.4
65.91269	0.4
69.03431	0.8
69.07068	0.5
70.06709	1.4
73.02922	4.3
79.05497	0.8
79.43660	0.4
83.04985	0.4
91.05490	3.6
93.07034	1.3
95.08612	0.5
103.05470	2.8
105.03396	0.6
105.07052	2.2
106.02908	0.5
106.07397	1.0
107.04943	0.7
107.08606	1.4
115.05453	1.7
116.05756	0.6
117.05803	1.0
117.07028	5.5
118.04171	0.5
118.06554	23.4
119.08599	1.8
120.08119	0.8
120.08913	1.0
121.10205	0.6
130.06534	100.0
131.04933	1.2
131.07269	2.0
131.08548	2.6
132.08102	3.3
133.10146	1.4
134.06058	0.7
134.10504	0.7
135.08051	1.0
142.06488	0.6
143.07323	4.8
144.08092	74.5
145.06445	0.9
145.08440	0.8
145.10147	1.4
146.06006	0.6
146.10410	0.8
147.04384	0.6
147.07997	0.7
147.11740	0.6
148.12054	1.1
149.02361	0.5
149.09639	0.9
149.13222	0.7
154.06488	1.7
155.06041	1.2
157.09644	3.2
158.07213	0.5
159.07657	1.7
160.04787	0.9
160.07510	4.2
160.12083	0.6
162.05479	2.5
163.07570	1.8
172.07578	18.4
172.12033	3.1
173.13263	1.1
175.07259	3.7
190.04977	1.5
190.08426	10.2
190.13162	5.0
190.16719	1.1
191.07033	1.0
191.10674	1.1
191.14323	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	190.0865
Annotation	3-Indolepropionic acid
Peak:m/z	Relative Intensity
51.61965	0.3
55.01859	0.9
55.05513	0.6
56.96565	0.4
57.83459	0.3
65.03939	0.4
67.05497	0.5
69.03416	0.6
69.07085	0.4
69.57259	2.1
73.02927	4.2
79.05505	1.0
81.07056	1.0
85.34414	0.3
86.37913	0.3
88.19019	0.3
91.05483	3.1
92.05819	0.4
93.07047	0.7
95.08615	0.5
100.02205	0.6
103.05479	2.6
105.07033	1.7
106.02919	0.4
106.06499	0.4
106.07338	0.7
107.04950	0.4
107.08591	1.2
115.05464	1.6
117.05811	1.6
117.07027	6.8
118.06554	23.4
119.04939	0.4
119.08588	1.6
120.08141	0.4
120.08921	1.0
121.06564	0.6
121.10139	0.7
128.06248	0.4
129.07010	0.4
130.06535	100.0
131.04993	0.9
131.07040	0.8
131.07394	0.7
131.08568	2.1
132.04451	1.0
132.08113	3.0
133.10121	1.3
134.05992	0.6
134.10469	0.8
135.08076	1.2
143.07323	5.8
144.08093	69.6
145.06485	1.3
145.08391	0.8
145.10110	0.9
146.05995	0.7
146.10515	0.7
147.04443	0.6
147.06795	0.7
147.07980	0.5
147.11722	0.6
148.05212	0.6
148.12057	1.2
149.06007	0.4
149.13220	0.5
154.06526	1.5
155.06033	1.4
157.09689	2.0
159.07712	0.5
160.07571	3.8
160.12065	0.4
162.05528	2.0
162.09036	0.4
163.07544	1.1
172.07579	15.9
172.11974	2.1
173.13173	0.5
189.04416	0.4
190.05026	1.3
190.08569	11.3
190.13177	3.0
190.16779	0.9
191.07004	0.9
191.10635	1.1
191.14304	3.1
204.59274	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
55.05519	1.1
58.32477	0.5
66.82835	0.4
70.06587	0.4
70.23451	1.9
72.08170	2.4
73.02914	4.3
91.05488	11.3
103.05486	1.2
115.05467	1.2
117.05750	1.4
117.07032	5.4
118.06560	24.0
120.08101	3.2
128.05014	0.4
130.06540	100.0
131.07285	1.5
132.08093	3.2
134.06017	0.5
143.07330	6.1
144.08095	76.6
145.06493	1.1
145.08388	1.1
148.06084	0.5
148.07587	0.5
154.06499	1.4
155.05981	1.8
159.06786	0.5
160.07602	3.7
162.05479	1.2
172.07593	17.6
190.04987	1.0
190.08627	8.6
190.10466	0.8
190.12260	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	190.0865
Annotation	3-Indolepropionic acid
Peak:m/z	Relative Intensity
53.28252	0.4
55.01868	0.6
55.05506	0.7
65.68406	0.4
70.06565	0.6
70.94428	0.9
70.94784	0.6
72.08160	1.6
73.02927	4.1
81.57771	0.4
88.34901	0.4
91.05479	6.3
103.05486	1.4
115.05443	1.6
116.04977	0.8
117.05762	1.7
117.07026	6.2
118.06551	24.5
120.08117	1.1
130.06534	100.0
131.07260	2.0
132.08092	4.1
134.05884	0.4
142.06517	0.7
143.07312	5.7
144.08092	73.1
145.06468	1.1
145.08345	0.7
154.06528	1.3
155.06036	1.6
159.06760	0.5
160.07579	4.1
162.04155	0.7
162.05521	15.7
172.07581	18.5
173.07823	0.4
190.05023	6.3
190.08640	8.3
190.10413	0.8
190.12244	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	190.05
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
70.06580	0.6
71.41499	0.6
73.02918	0.5
80.43607	0.2
89.03916	1.6
116.04988	4.1
117.07021	0.7
118.06536	3.1
130.06532	12.3
130.96312	0.2
132.08145	0.5
134.06001	0.3
143.07309	0.8
144.04437	3.0
144.08092	9.2
149.96024	0.3
150.03244	0.2
155.06079	0.3
160.07597	0.6
162.05507	100.0
163.05890	2.0
172.07590	2.2
172.85564	0.2
190.04999	32.3
190.08521	1.5
191.05321	0.4
193.81604	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07057	0.6
58.99852	0.8
62.69451	0.2
70.45722	0.2
77.00909	0.5
81.03399	0.3
82.19883	0.2
85.01406	0.4
98.97519	0.2
100.00635	0.2
100.02493	0.8
101.00863	0.8
102.00973	0.4
103.02455	0.5
104.02541	0.5
108.97553	0.2
111.02975	0.4
115.02436	0.7
118.03512	0.3
119.01933	2.0
120.02070	0.6
127.02378	0.3
128.00789	0.2
129.03966	1.0
131.01863	0.3
133.03413	0.3
137.03033	0.3
139.02380	1.3
139.50949	0.5
140.00764	0.6
141.04030	0.3
141.69536	0.2
142.03479	0.5
143.01933	0.3
144.05058	0.3
144.99783	0.3
145.03452	0.9
147.05003	0.4
148.05168	0.3
148.51492	0.5
149.00751	1.3
151.01775	0.4
151.51659	0.7
157.03470	3.1
159.01393	0.3
161.02957	0.2
163.04572	0.3
164.67065	0.3
167.01900	14.2
167.59648	0.3
168.02083	0.4
169.98528	0.2
172.04535	0.3
173.06624	0.2
175.04562	0.2
176.60104	0.3
177.01059	0.2
179.10574	0.4
185.02963	100.0
186.03085	2.4
187.03426	0.4
188.12863	0.3
190.03607	1.3
190.05823	0.4
190.08653	0.6
199.04706	0.2
199.50040	0.3
203.04024	11.8
204.04221	0.4
208.04576	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	189.164
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03942	2.6
55.01851	1.0
55.05261	1.6
55.05510	10.4
60.46249	1.1
67.05517	14.8
68.20650	1.0
69.07075	7.6
71.27052	1.6
71.27395	1.2
79.05504	15.9
81.07062	62.8
83.08617	4.1
86.75732	1.2
91.05485	25.8
92.31277	1.2
93.07049	20.9
95.04967	2.4
95.08613	62.1
103.05447	1.2
105.07042	63.8
107.04942	2.6
107.07883	1.5
107.08600	26.0
107.09308	2.0
109.10151	14.9
109.66638	1.1
115.05482	2.7
117.07018	3.7
119.08590	66.0
121.06509	1.3
121.10153	11.0
128.06235	3.3
129.07043	2.6
130.07788	1.5
131.08560	9.0
133.10139	70.7
143.08568	5.9
145.06470	1.5
145.10150	8.0
146.10863	2.4
147.08028	3.6
147.11697	39.6
156.09241	1.3
159.11700	3.9
160.12477	3.5
161.09627	4.7
161.13261	19.7
171.08032	2.3
171.11766	2.1
174.06691	1.2
189.05409	3.1
189.09068	9.3
189.12732	9.4
189.16393	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1639
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
51.02411	1.4
53.03952	1.7
55.05518	10.5
67.05505	13.4
69.07058	9.3
70.81352	3.8
79.05508	10.1
81.07066	66.6
83.08621	4.1
91.05488	20.3
93.07058	18.6
95.08620	55.6
95.09127	0.9
95.09254	1.7
101.92522	1.4
105.07041	59.7
107.08604	23.9
109.10168	14.6
117.07004	2.9
119.08597	68.1
121.10165	10.3
128.06253	2.0
131.08568	8.0
133.10143	65.7
143.08528	1.9
145.10118	6.9
146.10925	1.9
147.07993	2.4
147.11702	43.4
159.11732	2.5
160.12479	3.3
161.13269	20.9
171.11685	1.8
174.14159	1.7
189.09129	5.0
189.12595	7.7
189.16409	100.0
190.08644	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1639
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
50.04381	1.0
53.03943	2.9
55.01871	1.1
55.05517	12.2
57.07055	1.2
57.22461	1.1
61.27872	1.1
65.03942	1.2
67.05508	16.2
69.03410	1.4
69.07073	8.9
70.06596	1.8
71.50565	1.3
72.08143	1.2
79.05496	15.7
81.07061	58.7
83.04969	1.2
83.08612	4.4
84.04491	1.2
84.17226	1.2
87.04476	1.3
91.05486	28.5
93.07045	26.6
95.04977	2.1
95.08611	62.0
96.79119	1.3
97.10163	1.9
103.05399	1.2
105.07037	75.5
106.07403	1.4
107.08599	28.4
109.06485	1.5
109.10164	20.0
115.05476	2.3
117.07005	7.2
119.08586	82.7
120.08908	1.5
121.06490	1.9
121.10144	12.5
128.06244	2.7
129.06981	2.7
131.08568	9.5
133.10138	88.7
134.10640	1.2
143.04886	1.4
143.08560	6.5
145.06531	1.4
145.10132	11.1
146.10858	2.7
147.08032	5.8
147.11694	47.0
149.02353	1.6
156.09348	5.6
159.08121	2.4
159.11699	4.0
160.12466	4.5
161.05931	2.7
161.09622	3.1
161.13263	23.2
171.11684	8.6
174.10371	3.5
174.14075	2.3
176.38255	1.0
189.05482	4.1
189.09016	7.0
189.12712	23.2
189.16393	100.0
190.08633	3.0
190.16682	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	189.1639
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
50.09563	1.1
50.75606	1.3
53.03928	1.3
55.05525	8.3
55.71996	1.3
67.05508	15.6
69.07060	5.7
79.05500	10.5
81.07064	57.4
83.08628	4.6
91.05484	19.5
92.87944	1.2
93.07052	18.2
95.08616	59.4
97.10141	2.3
105.07040	64.1
107.08597	25.7
109.10169	19.2
117.07011	3.8
119.08594	76.2
121.10162	9.5
131.08578	5.9
133.10141	67.9
145.10117	5.1
146.10869	1.7
147.11703	42.4
160.12465	4.8
161.13264	20.2
166.05522	1.3
189.16402	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	9.8
67.05511	15.3
69.07068	10.2
70.84697	2.6
70.85039	1.2
79.05147	1.1
79.05502	11.5
81.07064	66.2
83.08628	4.7
85.02897	5.3
87.00849	1.4
91.05488	21.6
93.07048	16.3
95.08616	60.9
97.10178	1.7
103.05476	1.2
105.07038	67.8
105.93402	1.1
106.01779	1.2
107.08601	24.7
109.10165	20.4
117.06998	3.5
118.63608	1.3
119.08593	76.7
121.10143	8.9
131.08536	7.9
133.10139	79.3
134.10741	1.1
145.10141	8.8
146.10892	2.8
147.11705	41.6
159.11708	1.8
160.12488	2.4
161.13278	18.6
165.13191	1.0
171.11778	1.7
189.09019	2.2
189.12785	3.8
189.16399	100.0
189.29549	1.2
190.16797	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	189.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53660	0.7
55.01863	1.8
55.05516	4.1
67.05496	3.3
69.03422	5.1
69.07057	2.9
69.65932	5.1
70.06571	2.7
71.04960	1.2
72.08157	1.0
79.05475	4.0
81.07050	4.0
83.04978	1.0
84.08141	3.0
86.09703	15.2
91.05489	14.2
93.07042	4.9
95.04967	1.8
95.06074	2.1
95.08595	4.5
98.21587	1.4
98.97599	1.6
103.05470	1.6
105.07035	24.9
107.04914	1.1
107.08598	5.7
108.08123	1.0
109.06487	1.2
109.10159	2.6
115.05452	2.5
116.06255	1.9
117.07030	6.4
119.08582	31.7
121.06521	1.4
121.10126	2.6
128.06229	6.2
129.07013	7.5
130.06538	1.4
130.07774	5.9
130.08600	1.2
131.04976	1.3
131.08556	11.0
132.09296	1.0
132.10211	1.0
133.06442	4.1
133.10143	17.9
135.08081	1.9
141.06995	10.3
143.08575	13.8
144.08099	1.8
144.09227	1.1
145.06522	2.4
145.10126	22.2
146.07269	1.6
146.10860	2.2
147.06255	1.0
147.08035	12.3
147.09125	1.4
147.11699	27.8
155.08540	3.7
156.09344	57.2
157.09715	1.1
158.07214	1.0
159.08022	7.3
159.11697	11.4
160.08830	3.8
161.05931	2.1
161.09615	3.9
161.13266	9.3
162.05585	1.0
171.11694	63.2
172.11984	1.8
173.09685	1.2
174.06723	1.6
174.10399	10.7
189.05412	1.3
189.09148	7.5
189.12738	100.0
190.08575	1.8
190.13136	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	3.7
66.20903	0.8
67.05502	5.1
69.03424	4.9
69.07062	2.8
69.31842	2.6
69.32261	5.4
79.05476	3.3
81.07066	6.0
86.09699	2.3
89.42811	0.9
91.05487	15.7
93.07050	6.1
95.04976	1.5
95.08603	6.7
98.97584	3.2
103.05499	1.5
105.07036	24.3
106.90531	0.9
107.04971	2.2
107.08607	6.3
109.10165	4.2
115.05470	2.6
117.07034	4.2
119.08592	27.8
121.10175	1.7
123.45441	0.9
128.06235	6.9
129.06984	4.8
129.57445	0.9
130.07776	4.2
131.08559	7.1
133.06487	1.3
133.10143	16.8
141.07001	10.6
143.08553	7.8
144.09354	2.4
145.06477	1.2
145.10146	18.2
146.10872	3.0
147.06429	0.9
147.08022	9.0
147.11699	19.2
155.06075	1.0
155.08559	3.1
156.09357	65.4
158.07256	3.0
158.99651	1.1
159.08078	6.9
159.11708	16.8
159.12933	0.6
160.08916	1.9
161.06030	1.0
161.09659	3.7
161.13271	3.2
162.05519	1.1
171.11702	71.6
172.12024	1.3
173.09695	1.4
174.06802	7.2
174.10400	10.0
189.05478	1.3
189.09142	13.1
189.12759	100.0
189.16322	10.4
190.08698	1.3
190.13132	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	189.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92967	0.5
53.32159	0.5
55.01872	1.0
55.05516	1.8
59.05006	18.2
67.05506	1.8
69.03427	1.2
69.07081	1.0
69.33202	4.6
70.06612	1.2
72.08179	0.9
79.05507	2.6
81.07068	3.2
84.08154	1.8
86.09716	1.5
91.05490	9.8
93.07050	2.2
95.04957	0.9
95.08610	3.8
98.21529	1.1
103.05504	1.5
105.07038	100.0
106.07381	1.4
107.04959	1.9
107.08589	2.9
109.10185	1.3
115.05451	3.1
116.06209	0.6
117.07020	1.9
117.33170	0.5
119.04952	1.2
119.08595	13.6
121.06510	0.6
121.10152	1.0
128.06206	5.5
129.07013	9.3
130.06572	1.0
130.07776	1.1
131.04967	0.6
131.08578	15.3
131.09543	1.1
133.06480	1.8
133.10147	8.9
135.08104	0.6
141.06999	6.7
142.07753	1.9
143.04921	1.9
143.08585	14.6
145.06433	0.9
145.08353	0.7
145.10136	13.9
146.06053	1.0
146.07291	1.1
147.04425	1.0
147.08049	7.8
147.11711	6.5
155.08528	3.4
156.09361	69.7
157.06505	2.1
157.09686	1.5
158.07278	1.0
159.04445	0.7
159.08051	1.8
159.11710	2.0
160.08849	1.1
161.06018	2.6
161.09633	3.3
161.13283	7.1
171.11702	80.2
172.12065	1.5
174.05434	1.0
174.06779	7.4
174.10457	3.1
189.05423	2.3
189.07018	1.9
189.09120	14.4
189.12750	69.7
189.16302	5.8
190.05144	0.7
190.08640	1.3
190.13109	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	189.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45156	0.8
55.05503	2.9
60.70856	0.9
67.05495	2.1
69.03446	7.6
69.07053	3.1
70.61619	2.8
79.05489	2.6
81.07050	1.9
82.93801	0.9
86.09707	1.3
91.05502	6.9
93.07051	2.7
95.04995	1.9
105.06393	1.5
105.07042	17.2
107.04935	0.9
107.08601	3.4
109.82771	1.0
115.05458	1.7
117.07005	4.7
119.04926	1.0
119.08594	32.8
121.06521	1.7
121.10103	1.6
128.06241	3.0
129.07025	4.5
130.07776	2.5
131.08585	8.4
133.06467	4.0
133.10146	8.8
135.08073	3.2
141.06985	8.1
142.07791	1.0
143.08592	7.1
144.09344	2.2
145.06491	3.0
145.10141	14.2
146.10953	1.5
147.08052	13.0
147.11710	19.5
155.08540	2.5
156.09360	47.4
157.09747	1.6
159.08095	13.8
159.11711	12.0
160.08833	4.4
161.09616	4.9
161.13271	11.1
171.11703	59.8
173.09647	1.3
174.10426	21.1
175.10664	1.2
189.12759	100.0
190.13138	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	189.1235
Annotation	19461-38-2
Peak:m/z	Relative Intensity
50.90146	0.4
51.71870	0.4
54.03474	0.6
55.01862	0.5
56.05033	0.6
56.96567	0.7
57.03437	0.3
60.05639	0.4
60.08163	0.6
66.74770	0.3
69.03429	1.1
69.07030	0.5
70.06599	2.3
70.58250	1.1
72.08163	0.8
74.07192	0.4
82.02971	0.5
84.04491	0.5
84.08154	3.6
85.02900	0.4
86.06055	1.0
86.09710	100.0
87.04449	0.4
87.10050	0.7
87.40211	0.3
93.70139	0.3
97.04026	0.8
101.06003	0.9
105.07041	0.6
114.05553	2.0
116.07140	0.4
120.96301	0.9
127.00605	0.4
129.05489	0.8
130.08632	0.9
132.10211	34.7
143.01868	0.5
143.11806	17.3
145.03456	0.7
157.06146	0.8
162.05551	0.5
171.11703	0.4
189.02470	0.4
189.12358	0.7
189.16150	0.5
192.94804	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
55.05513	2.5
56.05031	1.0
56.17306	0.3
56.96564	1.9
57.03424	0.7
57.04559	1.2
57.05825	0.4
57.07073	0.3
58.06592	0.8
58.99862	1.5
60.04526	0.7
60.05642	0.6
60.08169	4.8
60.22969	0.3
67.05501	0.9
68.99767	0.3
69.03440	1.6
69.07072	1.9
70.06596	16.1
70.98116	0.3
71.04995	0.5
71.49210	0.3
72.08160	15.6
73.02913	1.2
73.06565	0.4
73.08508	0.4
74.06081	0.5
74.07211	4.6
77.00902	0.6
79.05516	0.3
81.07076	0.4
82.01441	0.8
82.99867	0.7
83.04977	0.4
84.04510	1.0
84.08147	24.3
85.01409	1.4
85.02905	1.4
85.08508	0.7
86.09709	100.0
87.10026	1.6
91.02492	0.3
91.05488	0.5
95.04973	0.5
96.04491	1.1
97.02911	1.0
98.06065	0.4
98.97592	4.7
100.02491	2.0
101.00884	4.5
101.02408	0.5
102.00983	0.4
102.02439	0.4
103.00645	2.4
103.02451	3.2
105.07043	0.5
110.97582	0.3
111.04446	0.7
112.08727	0.6
113.00900	0.4
113.07166	0.4
114.05540	2.3
115.02437	0.7
115.08707	0.7
116.07103	4.8
116.98625	2.1
118.03554	0.5
118.08693	1.3
119.01926	9.7
119.04987	0.5
120.02051	0.4
120.03347	0.4
121.01661	5.9
121.02446	0.5
121.03510	1.2
126.09163	1.0
127.02406	0.8
127.03941	0.4
128.98552	0.4
129.02089	0.3
129.04030	0.4
130.08646	9.0
131.01920	1.2
132.10265	0.7
133.03476	3.2
133.09726	0.3
134.99678	0.9
135.05090	0.4
137.02956	2.0
139.02687	1.2
143.01923	3.5
143.11777	0.6
144.11313	2.4
144.13832	0.6
145.01720	0.5
145.03465	4.5
147.01369	2.4
147.03151	0.7
147.05055	1.1
149.03049	0.4
151.04546	1.0
157.03488	0.8
157.06131	0.8
158.09224	0.6
159.06763	0.5
161.01419	0.5
161.02980	3.0
161.05905	0.4
161.07097	0.4
162.05511	0.7
163.02803	0.3
163.04517	1.6
165.06133	0.6
167.01936	0.8
171.01404	1.3
171.05145	1.0
171.06642	0.4
171.11707	0.4
172.10921	0.8
173.02887	0.4
177.02505	0.9
177.04216	0.3
184.04643	0.5
185.02954	4.5
189.02480	3.5
189.04233	0.6
189.06041	2.1
189.08992	0.7
189.13728	3.1
189.15997	3.0
189.17740	0.6
190.04996	0.4
203.04007	0.6
207.01761	0.5
207.03523	0.8
207.05440	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0708
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
51.71397	0.5
55.50658	0.5
64.16207	0.4
70.65873	1.4
70.66234	0.5
73.03902	0.5
81.30145	0.5
84.08575	0.5
90.51413	0.4
91.05491	4.5
94.02892	0.4
98.20556	0.5
103.05515	0.8
115.05458	6.0
116.06295	0.5
117.05777	1.9
117.07024	4.7
118.06551	74.8
128.05034	0.6
132.08070	0.7
142.06526	6.1
143.07307	12.7
144.04504	0.8
144.08104	23.3
145.06544	0.7
145.08417	0.6
146.06020	100.0
147.06374	1.6
150.77904	0.5
155.06082	1.2
160.07602	1.0
170.06020	8.5
171.62381	0.5
188.07080	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	188.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.4
58.32948	0.4
67.79562	0.4
70.24515	1.7
70.24869	0.5
73.94194	0.4
77.98946	0.4
91.05487	4.6
98.20784	0.6
103.05486	0.8
114.44408	0.3
115.05465	7.1
117.05780	1.9
117.07014	4.4
118.06549	73.4
119.06905	0.9
122.52326	0.4
132.08122	0.8
142.06516	6.3
143.07314	12.9
144.04465	1.1
144.08096	25.5
145.06494	0.7
145.08424	0.4
146.06017	100.0
147.06363	0.9
147.59280	0.4
155.06064	1.3
160.07603	0.9
170.06023	8.8
188.07080	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
55.05516	4.5
55.11067	0.3
56.05038	1.0
56.96582	0.4
57.03443	0.6
57.07084	0.4
58.06599	0.3
60.04530	8.7
63.37727	0.4
67.05505	0.8
69.03440	1.2
69.07083	1.1
70.02960	0.3
70.06596	3.7
71.05014	0.6
71.08234	0.7
71.08638	17.5
72.08161	100.0
73.08498	1.0
74.06102	0.6
79.05489	0.6
80.28127	0.3
81.03447	1.7
81.07059	1.4
82.06598	1.6
83.08637	0.7
84.04501	1.1
84.08151	7.4
85.02915	1.1
86.06091	0.7
86.09716	5.3
87.04478	0.8
87.05611	5.0
88.02229	1.9
89.10812	1.8
91.05513	1.5
93.07088	0.7
94.06581	0.6
95.04983	0.5
95.08630	0.6
95.78407	0.3
95.91045	0.3
96.08144	1.3
98.09728	0.4
98.97617	0.6
99.08100	20.0
100.07629	1.0
101.07178	0.4
105.07036	1.8
106.74204	0.3
107.08600	0.6
109.02837	0.5
114.09174	5.0
115.05458	0.9
116.10743	4.6
117.07022	0.9
118.06554	1.2
119.08582	0.5
124.07590	0.3
127.03921	0.8
127.08617	0.6
128.06194	0.5
128.07082	0.9
128.10735	4.4
129.07021	0.8
129.10255	2.0
131.04984	1.6
131.08578	2.5
136.06181	1.5
141.07033	0.7
142.08684	1.6
142.12271	0.9
143.04909	0.9
143.08582	0.7
143.11728	0.5
144.05708	2.2
144.09267	0.5
145.10138	3.8
146.05949	1.6
146.11734	0.4
155.03429	0.5
157.10141	0.4
159.04416	0.5
159.06967	1.0
159.08083	1.6
159.11322	8.1
169.10040	0.4
170.06013	0.7
170.15416	77.4
171.15782	1.2
172.05191	1.4
172.08910	0.4
187.03854	3.6
187.07478	3.5
187.11124	1.1
187.14850	2.3
187.18065	15.1
188.07109	0.7
200.03763	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1483
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03953	0.6
55.05510	1.4
56.96564	3.6
57.07081	3.6
57.37135	0.4
65.03948	0.8
67.05506	3.1
69.03436	1.3
69.07080	0.7
70.06622	0.4
70.55166	0.5
70.55502	0.8
71.05033	0.4
71.08667	0.4
72.87705	0.4
76.06493	0.4
77.03938	0.4
79.05492	4.8
81.03416	2.2
81.07067	3.5
82.06580	1.5
83.08630	1.5
84.04506	3.7
85.02895	2.1
85.29041	0.4
86.08937	0.4
87.04437	0.6
88.02227	3.0
91.05485	7.1
93.07034	1.9
95.05002	0.7
95.08606	1.0
99.04473	0.5
103.05473	1.4
105.03407	1.0
105.07038	12.6
107.04973	0.4
107.08601	7.5
108.05142	0.6
108.09053	0.5
109.02882	0.6
109.10159	0.9
115.00760	0.4
115.05383	2.1
116.06242	1.0
117.07024	8.0
119.06078	0.4
119.08588	8.6
122.14063	0.4
126.05525	0.5
128.06227	2.9
128.07109	0.9
129.07021	6.2
130.07794	7.3
131.04955	1.4
131.08578	15.0
133.01756	0.5
133.10138	2.2
136.06227	0.9
141.06935	2.2
142.07794	1.1
142.08717	0.5
143.08560	9.9
144.09348	5.1
144.69031	0.4
145.06522	1.4
145.10130	100.0
146.10478	2.1
152.08481	0.6
153.07037	0.5
154.07776	2.6
156.09332	0.6
157.06528	0.9
157.10146	8.0
158.07283	0.7
158.10910	4.6
159.06996	1.0
159.08124	1.2
159.11705	17.2
160.12181	0.4
166.08237	0.8
169.10141	4.9
170.10750	0.4
171.07954	0.6
172.08850	4.1
172.12486	8.4
173.04858	0.5
185.13106	0.5
187.03886	2.6
187.07671	0.7
187.11217	14.5
187.14827	53.1
187.22507	1.6
188.15152	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	187.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16201	0.4
53.03952	0.7
55.05513	1.5
56.96567	3.7
57.03438	0.6
57.07076	4.0
59.08660	0.4
65.03935	0.6
67.05508	2.9
69.03436	1.1
69.07074	0.5
70.06579	0.6
71.05003	0.4
71.50845	0.6
72.08154	0.5
79.05495	5.1
79.42777	0.4
80.05023	0.4
81.03434	1.3
81.07059	4.0
82.06578	0.9
83.04967	0.5
83.08637	1.0
84.04511	3.6
84.08158	0.6
85.02911	1.8
87.04494	1.3
88.02217	4.6
88.05894	0.4
91.05487	6.6
93.07059	1.6
95.04964	0.9
95.08602	1.2
98.06078	0.5
103.05457	1.1
105.03403	0.9
105.07037	12.7
107.04957	0.5
107.08589	6.6
108.08916	0.4
112.26632	0.4
115.00681	0.6
115.05382	2.1
116.06250	1.3
117.05727	0.5
117.07012	8.3
119.08582	8.6
127.05842	0.6
128.06224	2.9
128.07094	1.9
129.06999	5.4
130.07808	6.6
131.04939	1.6
131.08572	13.4
133.10107	2.4
136.06180	0.8
141.07002	1.9
142.07738	0.8
142.08690	0.8
143.08575	8.8
144.05725	0.6
144.09346	3.5
145.06441	1.4
145.10127	100.0
146.10431	2.0
153.07033	0.7
154.07751	2.2
157.06516	0.6
157.10141	8.1
158.10912	4.4
159.06989	1.0
159.08089	1.4
159.11697	16.7
166.08307	0.6
169.10121	5.3
170.08025	0.6
170.10881	0.7
171.11679	0.6
172.08839	4.6
172.12468	8.0
175.08899	0.9
185.13379	0.6
187.03848	2.1
187.07626	0.6
187.11212	14.2
187.14822	54.8
187.22540	1.3
188.07169	0.4
188.09109	1.4
188.15178	1.4
206.50073	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1482
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03944	0.6
55.05517	0.4
57.07083	3.4
61.49740	0.3
66.18714	0.3
67.05506	1.6
67.92815	0.3
69.07075	0.9
71.50331	0.4
71.50682	0.3
77.03944	0.5
79.05494	1.1
81.03438	0.4
81.07050	3.1
83.08633	0.4
84.04503	0.8
88.02211	0.4
91.05489	10.1
93.07041	1.3
95.08603	1.3
96.90282	0.4
103.05466	1.1
105.07042	10.3
107.08598	1.1
115.05422	1.9
115.28200	0.3
116.06239	3.6
117.07018	8.8
119.08591	4.5
128.06198	1.8
129.07018	5.5
130.07813	4.6
131.08578	85.5
132.08923	1.4
133.10135	2.8
142.07788	1.2
143.08577	17.8
144.09369	4.4
145.10133	42.4
146.10513	0.7
157.10147	7.5
158.10927	14.1
159.08171	0.9
159.11703	40.9
160.12012	0.7
172.08989	0.4
172.12495	5.5
185.13336	0.4
187.03912	1.0
187.14838	100.0
187.22499	1.0
188.15187	2.9
188.46127	0.3
199.84703	0.3
206.77490	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.05498	3.0
57.07068	2.4
58.79236	0.7
59.85067	0.7
67.05503	5.4
69.03424	1.4
69.07060	2.6
69.15752	8.4
69.28390	0.7
72.65316	0.8
79.05507	7.4
81.03426	1.5
81.07068	14.3
88.02232	1.2
91.05486	16.0
93.07060	13.0
94.47687	0.7
95.08617	12.7
98.20695	1.3
103.05463	1.2
105.07046	26.5
107.08593	10.1
115.05464	3.1
116.06228	2.5
117.07026	18.7
119.07809	1.5
119.08599	18.1
128.06241	2.3
129.07018	6.9
130.07805	8.0
131.04915	0.9
131.08585	53.3
132.09378	1.1
133.10167	5.6
141.06978	0.9
143.08572	11.2
144.09354	4.9
145.10138	94.2
146.10555	2.3
157.10143	9.4
158.10931	7.7
159.08096	1.2
159.11710	35.8
160.12215	0.9
171.11653	0.9
172.08905	1.8
172.12498	8.8
173.13213	1.2
185.13211	1.0
187.03926	1.4
187.11372	5.5
187.14841	100.0
188.15189	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	187.1482
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
51.55444	0.6
53.03941	1.3
55.05516	1.8
57.07082	5.9
62.28217	0.6
66.86586	0.6
67.05512	3.4
69.07059	2.0
70.65067	1.7
79.05502	7.3
81.03404	0.9
81.07058	12.4
83.08609	0.7
84.04503	1.8
88.02250	1.0
91.05481	13.0
91.06023	1.0
93.07050	12.6
93.07634	0.8
95.04986	0.6
95.08611	9.4
105.07037	31.5
107.08603	8.4
109.10131	0.8
115.05478	2.3
116.06233	1.8
117.07023	13.9
119.08583	14.7
121.10141	1.4
128.06206	1.3
128.07048	0.8
129.07018	3.1
130.07799	7.7
131.08574	56.9
132.09328	0.8
133.10161	3.7
143.08568	9.4
143.09682	0.7
144.09378	3.5
145.10127	100.0
146.10562	1.3
157.10156	5.9
158.10925	4.2
158.96703	0.6
159.08093	0.7
159.11702	26.6
172.12444	4.8
185.13271	1.2
187.03912	1.3
187.07440	0.8
187.11230	1.9
187.14827	70.7
188.15181	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	187.108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
53.05405	0.5
53.90905	0.4
55.05513	24.2
56.05033	1.2
57.05819	0.7
57.21767	0.4
60.04531	0.5
67.05511	0.6
69.07066	0.8
69.31941	0.5
70.02950	3.3
70.06583	3.3
70.55084	0.8
70.55449	0.8
71.07388	2.0
71.08642	1.1
72.08159	100.0
73.08513	0.6
79.05508	1.8
81.03419	0.8
81.05775	0.7
81.07073	0.8
82.06583	35.7
84.04491	0.7
84.08143	2.7
85.04031	4.2
86.09702	1.0
88.02216	1.5
88.04007	5.4
91.05494	1.3
93.07049	0.7
94.06588	4.1
96.08136	17.1
98.02422	14.8
98.06061	0.7
98.09693	3.5
98.20900	0.7
99.00849	0.7
99.04493	0.6
99.09222	11.4
100.07633	1.9
105.07031	0.9
107.08624	0.5
114.09187	1.0
115.05470	1.0
124.07596	11.9
127.08688	30.9
128.06219	1.0
128.07085	8.9
129.07007	0.5
131.04926	2.2
131.08603	2.1
136.06160	1.3
141.10233	1.1
142.08640	63.9
143.05003	0.5
143.08731	0.5
144.05725	1.2
145.10115	2.4
146.06058	0.7
152.07103	0.9
154.50601	0.5
159.06935	0.7
159.08086	1.7
159.11685	1.0
169.09726	3.9
170.08109	3.4
170.15453	2.3
172.05162	1.2
187.03888	3.4
187.07500	2.4
187.08731	3.2
187.10828	9.2
187.14827	2.1
195.90941	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	1.6
53.28264	1.0
55.01868	10.1
55.05514	15.7
56.05039	5.7
56.96559	3.4
57.03446	2.3
57.75350	1.0
58.06599	2.2
60.04523	1.1
67.05505	3.3
69.03436	5.6
69.07073	4.4
70.02955	3.3
70.06600	15.9
70.95887	1.1
71.04984	1.9
71.49195	1.5
71.49582	1.3
72.08158	41.2
72.93786	1.6
74.06071	2.0
79.05491	4.5
81.03429	6.5
81.07060	27.5
82.06590	15.0
83.04992	3.5
83.08628	15.0
84.04499	9.2
84.05311	2.3
84.08149	17.4
85.02916	5.0
85.04051	1.4
85.06532	4.9
85.08483	1.2
86.09710	5.7
87.04475	2.4
88.02224	9.9
91.05486	4.5
94.06581	2.0
95.04971	2.9
95.08624	2.1
96.08134	5.0
97.02908	2.6
98.02431	3.9
98.09696	26.3
98.97600	2.2
99.04463	1.5
99.08074	1.2
99.09212	1.9
100.07624	2.2
105.03392	1.7
105.07035	2.1
108.08141	3.1
109.02894	1.7
109.06526	3.9
110.06026	1.9
111.04460	1.2
114.09179	1.5
115.05424	5.8
117.07011	2.2
118.03762	1.1
118.06517	7.0
119.01901	3.0
124.07605	3.7
126.09167	37.1
127.03934	2.5
127.05937	1.1
127.07581	4.0
127.08688	8.0
128.02316	2.4
128.07072	5.3
128.07912	9.4
129.10243	2.8
131.04944	8.3
131.08577	4.2
136.06213	6.9
141.10219	1.9
142.06569	1.4
142.08641	15.3
142.12273	2.6
143.04904	3.4
144.05716	2.5
144.08066	3.5
145.10143	4.0
146.03204	1.5
146.06003	10.1
151.08661	7.3
152.07082	1.3
158.99646	1.1
159.04503	1.4
159.06978	2.7
159.08115	2.8
159.11649	3.5
160.07564	1.2
163.01749	1.2
164.02248	1.7
164.78789	1.0
168.68108	1.1
169.09735	100.0
170.06105	4.2
170.08113	2.5
172.05220	1.4
173.00786	1.7
182.03168	1.2
187.03905	20.1
187.06142	4.4
187.07370	7.2
187.10822	14.1
187.12543	2.0
187.15002	4.8
188.07141	3.5
188.09152	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1491
Annotation	(+)-Epilupinine-N-oxide
Peak:m/z	Relative Intensity
55.01858	2.0
55.05275	1.4
55.05518	16.2
55.27713	1.5
56.05023	6.4
56.96562	2.7
57.03440	14.3
57.07062	4.5
58.06600	1.6
60.04527	1.5
60.93483	1.3
65.03912	1.9
67.05511	92.9
69.03423	3.6
69.07068	21.0
70.02961	1.5
70.06596	13.8
71.05013	23.3
71.08624	2.2
72.08142	6.2
74.34195	1.3
79.05501	13.0
81.03412	4.6
81.07063	100.0
82.06556	2.7
82.07380	1.4
83.04976	5.3
83.08607	4.9
84.04517	3.5
84.08162	13.0
85.02891	5.1
85.06534	6.9
91.05489	19.2
93.07040	6.0
94.06589	1.8
95.04939	2.6
95.08629	7.1
98.06078	2.8
98.09685	5.5
98.97578	4.9
99.04444	5.6
105.07043	15.4
107.08589	19.8
108.04433	1.4
109.06535	9.0
109.10164	90.4
110.97589	1.6
112.07600	4.2
112.11236	5.0
113.05981	3.0
113.70714	1.4
114.05526	6.6
117.03329	1.5
121.00802	5.2
121.10146	1.9
123.11750	11.0
124.11238	10.6
126.05512	6.3
126.09150	2.5
127.07621	1.6
127.08646	1.6
129.03799	1.4
130.06535	1.6
131.08575	4.2
133.10135	19.9
133.19865	1.4
136.06198	3.5
139.01807	2.6
140.07043	3.7
140.10707	5.6
140.14351	13.2
143.08611	1.4
145.02866	2.8
145.10115	2.1
150.12825	8.2
151.11209	5.5
158.11911	1.7
159.11682	1.7
163.01843	7.1
167.68456	1.7
168.13852	64.0
181.02869	6.3
186.05641	2.8
186.07634	3.7
186.09253	3.1
186.11320	7.4
186.14905	95.6
187.08951	1.8
187.10994	1.4
187.14963	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	186.149
Annotation	(+)-Epilupinine-N-oxide
Peak:m/z	Relative Intensity
53.03926	1.3
55.01863	0.8
55.05509	7.0
56.05033	3.7
56.96534	0.7
57.03431	1.2
58.06578	0.8
60.04510	2.4
66.47919	0.6
67.05505	22.2
69.03423	1.8
69.06732	0.9
69.07075	10.2
69.07432	1.3
70.02950	2.1
70.06596	15.9
70.07391	2.9
70.49921	1.3
70.50234	0.6
71.05004	7.2
71.06898	1.3
72.08156	10.7
73.08487	5.2
73.32835	0.6
75.12310	0.6
79.05495	4.4
81.03423	1.2
81.06596	1.0
81.07063	19.9
82.06579	1.3
83.04982	10.3
83.08630	1.4
84.04505	3.7
84.08148	17.4
85.02908	5.0
85.06537	3.2
86.09694	2.4
87.04421	1.1
91.05477	10.8
91.85180	0.7
93.07039	3.0
94.06582	1.0
95.04955	1.9
95.06085	0.9
95.08600	1.8
97.02890	1.1
97.06562	1.4
98.06033	1.8
98.07137	1.5
98.09619	0.7
105.07039	9.0
107.08607	8.7
109.06503	2.4
109.10161	27.5
112.07597	2.0
112.11232	0.7
113.06004	1.7
114.05533	5.5
116.07063	0.9
121.00790	4.7
121.01640	1.1
121.10151	1.8
122.06084	1.2
123.08088	1.0
123.11687	2.7
124.03915	0.7
124.11252	1.2
126.05515	4.0
126.06627	9.8
126.09146	3.0
127.07564	31.4
127.09493	2.5
129.10185	1.0
130.06537	1.3
131.04909	1.1
131.08572	0.9
131.51373	0.6
133.10135	20.2
136.06180	1.6
139.01825	2.8
139.11136	0.9
140.07059	2.9
140.10675	1.4
141.06947	0.7
143.07172	0.8
144.06534	1.5
144.07686	24.4
144.31766	0.6
145.02794	0.8
150.12791	3.0
151.11208	6.6
158.08180	0.9
158.39169	0.7
161.02893	0.7
163.01808	10.9
168.06519	0.9
168.10155	0.9
168.13850	20.6
168.71689	0.6
169.07227	6.5
169.14194	13.8
181.02856	7.3
186.07619	3.2
186.10063	6.0
186.11362	2.5
186.14902	100.0
187.03864	1.0
187.15175	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.01881	9.7
55.05512	10.3
56.05021	6.6
56.05268	1.5
56.40775	1.4
56.96571	7.6
57.03419	4.6
57.07077	13.1
58.06589	4.5
60.04520	3.6
60.98734	1.9
67.05510	24.5
67.87037	1.5
67.92509	3.1
68.05016	4.6
69.03414	6.5
69.07078	10.0
70.02953	3.8
70.06600	49.6
71.05001	12.3
71.49127	1.6
71.49490	1.5
72.04508	2.2
72.08164	17.6
72.93774	4.1
73.02921	2.5
73.08494	3.5
74.06062	1.8
74.09718	4.4
79.05479	6.7
80.05005	4.1
81.03416	3.9
81.07065	19.4
82.06570	6.6
82.94865	7.7
83.04970	3.8
83.08640	2.1
84.04513	37.4
84.08152	36.7
84.99254	4.5
85.02917	51.1
85.03423	1.7
85.06551	3.1
86.06075	2.6
86.09716	15.2
86.92209	1.6
87.04485	16.6
87.05568	3.3
87.10032	4.5
89.34320	1.7
90.94829	2.2
91.05474	11.3
93.07040	4.1
94.06575	3.4
95.01308	2.1
95.04979	6.1
95.08612	2.0
96.04481	5.1
96.08138	3.6
97.02887	9.8
98.02409	3.2
98.06052	11.7
98.97588	5.2
99.04449	2.9
99.05585	2.2
100.07645	2.8
102.05544	14.5
102.99768	3.4
103.00624	4.2
104.96374	1.5
105.07019	6.9
107.08591	6.5
108.04465	3.7
109.02883	3.8
109.06532	1.8
109.10164	21.1
110.06071	2.1
110.07153	2.2
111.04468	2.1
112.02218	2.0
112.03957	2.7
112.07625	12.7
112.08709	2.4
112.11244	1.9
113.07146	2.1
113.10799	1.7
113.96390	8.5
114.05542	35.3
115.05453	2.5
116.07085	5.0
116.98669	1.9
119.01877	5.4
121.00786	17.5
121.01679	16.5
122.06034	4.8
123.04398	1.8
123.11752	2.3
123.97470	6.9
124.07604	2.1
126.05518	23.5
126.06605	5.2
126.09174	9.5
126.12795	6.5
126.93793	2.1
127.03925	4.4
127.08688	3.0
127.97975	3.3
128.07103	2.9
129.10252	13.2
130.05016	85.1
130.06561	3.7
130.08658	2.7
131.04968	5.0
133.10161	11.6
136.06169	8.0
137.03845	2.0
138.05544	3.5
139.01820	15.2
139.02754	4.8
140.07080	18.9
140.10690	6.3
141.06703	2.2
141.10268	3.8
142.08615	2.7
142.12291	7.2
144.03279	3.4
144.06558	7.2
144.07730	10.8
144.94832	2.3
145.00742	1.8
145.99008	4.7
150.56311	1.7
151.11159	5.5
153.04904	2.5
158.06064	2.6
158.08151	3.4
161.81427	1.6
162.95883	3.9
162.97052	1.9
163.01828	34.7
163.03070	2.9
166.03799	1.9
167.96448	6.3
168.06604	5.3
168.10205	3.5
168.13849	18.9
169.07213	2.8
169.09714	4.1
175.04410	2.4
181.02872	42.3
185.97536	5.4
186.02090	2.0
186.05617	6.7
186.07634	18.7
186.09373	6.2
186.11272	100.0
186.14893	80.0
186.18523	4.7
187.03914	5.1
204.04630	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	185.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14180	0.6
53.03945	0.9
55.01872	1.9
55.05514	12.1
56.05046	0.7
58.06622	0.8
60.04509	0.8
67.05503	2.2
68.05033	0.7
69.03418	1.1
69.07072	38.7
70.06597	19.9
71.05004	1.7
71.08640	1.5
71.31682	1.2
72.08160	100.0
73.08496	1.3
79.05499	1.6
81.07059	1.7
82.06569	1.2
83.04980	3.9
83.08629	4.1
84.04510	4.5
84.08141	2.5
85.02914	1.0
86.09222	1.2
86.09708	14.3
87.04477	2.2
89.10796	0.8
91.05449	0.8
93.07045	2.1
95.04984	1.3
95.08591	0.6
96.08126	2.3
97.02924	0.7
97.06541	5.8
98.06083	7.5
98.09693	4.0
98.20090	0.7
107.08603	1.5
109.06519	0.9
109.10146	1.0
110.07172	1.4
113.06007	2.3
113.07150	1.7
114.05515	1.8
114.09170	4.8
120.02043	0.8
121.00825	0.8
121.10175	1.3
125.02374	0.9
125.05988	0.8
125.08711	0.6
125.09620	2.1
126.03130	1.0
126.05530	0.6
126.06667	1.3
126.09165	22.7
127.07566	1.2
129.09315	0.6
131.08539	0.7
136.06171	2.1
137.06548	0.8
139.08676	1.8
139.11195	1.6
140.07051	0.7
143.08611	0.9
144.07668	3.2
153.01842	2.1
163.01845	0.9
167.10706	0.8
168.13853	98.0
169.14212	0.8
181.02861	1.0
185.09300	0.9
185.13277	0.8
185.16495	13.5
186.07661	0.7
186.09842	0.8
186.14944	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0327
Annotation	Unknow
Peak:m/z	Relative Intensity
71.48775	41.0
77.25893	26.0
89.13120	26.5
101.00924	28.1
102.00993	68.3
115.54369	24.3
119.01893	60.6
120.02010	100.0
127.77368	27.3
129.61310	28.5
131.01857	27.4
139.30031	26.0
149.13091	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0732
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05029	1.2
58.06612	0.9
60.08168	19.9
70.06599	0.6
70.68564	0.8
70.68921	0.7
71.07381	11.4
86.09711	100.0
87.10054	1.3
98.98473	19.5
101.95040	3.2
104.10748	4.4
119.96082	0.8
125.00011	80.3
126.00359	0.5
166.08641	0.9
184.07350	90.0
185.07623	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0732
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
55.31188	0.2
56.05040	1.4
58.06625	1.0
59.07375	0.4
60.08168	18.7
64.24180	0.3
70.06596	0.2
71.07378	12.3
74.74495	0.2
85.10244	0.2
86.09711	100.0
87.10056	1.3
91.33300	0.2
98.98474	19.8
101.95053	1.3
103.71404	0.2
104.10750	4.6
119.26344	0.3
125.00012	85.7
126.00362	0.5
138.25627	0.3
143.01050	0.4
143.82043	0.3
166.06317	0.3
184.07353	87.2
185.07693	1.0
188.45313	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0732
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
55.95508	0.4
56.05034	1.4
58.06614	0.9
60.08169	18.6
70.06570	0.4
71.07378	11.6
79.06790	0.4
83.56326	0.3
86.09712	100.0
87.10033	1.2
98.98472	18.0
101.95026	2.5
104.10757	4.5
107.81884	0.4
114.38833	0.3
125.00014	80.8
126.00374	0.4
144.99059	0.3
153.01877	0.4
166.06369	0.4
174.56279	0.3
184.07353	83.9
185.07729	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93991	0.5
57.03429	0.7
60.33961	0.5
61.02926	0.6
69.03432	0.7
69.68761	2.6
70.03701	0.5
70.99815	0.7
73.02921	1.2
82.22823	0.5
82.99841	7.2
84.01205	0.8
84.04477	0.7
85.02887	1.0
86.09702	1.4
87.34855	0.5
95.06104	1.3
97.01424	0.7
97.02895	0.9
101.00887	59.7
102.00996	1.6
102.02269	1.3
103.00622	0.6
114.93472	0.5
115.00616	1.4
115.02483	1.1
119.01926	100.0
120.02013	3.0
120.84577	0.5
124.02441	3.5
124.08678	1.0
125.00008	1.1
131.01889	1.4
132.02007	0.7
133.01631	4.8
133.03357	0.6
135.03181	0.6
137.02957	15.2
138.02203	0.6
138.53484	0.6
142.03505	22.4
143.01912	3.4
143.03621	1.6
144.02005	0.8
145.01654	1.0
145.03416	0.6
147.01317	0.6
147.05133	0.6
151.02704	0.6
156.02129	1.0
156.03279	2.9
157.03479	1.9
157.81509	0.5
160.04546	4.6
161.02966	15.0
161.04214	0.6
166.03490	0.8
174.03090	0.7
174.04417	0.8
175.02965	0.6
175.04472	0.5
179.02252	2.1
179.04041	7.7
184.02953	0.7
184.04572	3.0
184.07368	1.2
184.10913	0.6
185.03056	1.1
202.03839	1.2
202.05685	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	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64287	0.5
60.99606	0.7
61.01141	0.7
69.03431	0.7
70.94019	1.3
70.94359	0.6
75.49187	0.5
81.03447	0.6
82.01452	0.7
82.99847	8.3
83.06105	0.7
84.01199	2.6
86.09706	0.8
95.06094	2.2
95.31731	0.5
98.97582	0.8
100.02494	0.6
101.00889	64.8
102.00991	2.2
102.02231	3.0
105.00355	0.7
113.00912	0.6
114.00973	0.7
114.61412	0.6
115.00633	5.9
115.02418	1.1
119.01930	100.0
120.02040	2.8
120.03300	0.8
124.02451	4.3
124.08727	0.8
124.99995	0.6
131.01912	1.3
133.01646	14.5
133.03329	0.9
135.03261	1.5
137.02966	14.5
138.02159	1.1
142.03502	22.6
143.01926	2.7
143.03654	0.7
151.02719	2.2
156.03221	9.9
157.03511	1.0
158.04900	1.3
160.04578	4.0
161.01414	0.8
161.02969	15.0
161.04288	0.6
163.09706	0.6
163.28540	0.5
166.03596	0.6
174.04343	1.8
179.02266	4.9
179.04042	8.7
184.02814	3.4
184.04611	3.9
192.56819	0.6
197.03445	0.9
202.03879	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	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37032	0.3
60.00657	0.4
62.54607	0.2
71.47974	0.4
82.01427	0.3
82.99844	7.0
101.00888	56.5
101.95078	0.4
102.00944	1.4
111.00476	0.4
119.01928	100.0
120.02015	2.9
121.02383	0.5
123.97540	0.3
124.02467	3.7
137.02962	15.7
138.03069	0.5
142.03506	21.0
143.01894	0.8
143.03665	0.8
147.05023	0.3
156.99947	0.2
160.04570	2.8
161.02968	11.4
161.04332	0.6
162.03152	0.4
165.05081	0.3
179.04027	8.7
184.04588	1.1
184.09700	0.4
184.66542	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1018
Annotation	[(1R)-2,2,3-Trimethyl-5-oxocyclopent-3-enyl]acetate
Peak:m/z	Relative Intensity
53.03937	3.2
55.01877	11.0
55.05516	9.8
57.03444	6.2
61.68998	1.0
65.03942	2.6
67.05509	44.3
69.03430	2.9
69.84271	6.2
70.06602	1.3
71.04998	34.1
72.08155	2.1
73.02921	1.9
77.03939	1.4
79.05496	11.1
81.03422	4.2
81.07057	8.5
83.04987	4.9
85.02917	4.4
85.06538	1.9
86.09724	1.4
87.04473	31.9
87.76731	1.4
91.05485	21.8
93.07049	26.7
95.03394	1.0
95.04979	27.6
95.08616	22.1
97.06525	3.7
98.20827	1.7
98.98483	2.2
99.04462	4.1
101.02373	2.9
103.68753	1.2
105.03404	3.5
105.07043	10.8
107.08595	2.8
109.06519	8.6
109.10165	12.0
111.04440	2.8
113.02364	1.7
113.06012	5.1
115.03949	5.8
117.07030	2.5
119.08584	16.5
121.06538	3.9
123.04491	1.9
123.08076	100.0
129.07004	3.3
133.02849	2.4
135.08064	1.9
137.05972	4.3
137.09628	44.7
147.08063	4.7
150.71828	1.1
165.09113	23.7
177.99600	9.9
183.10219	18.3
195.02280	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	183.1017
Annotation	[(1R)-2,2,3-Trimethyl-5-oxocyclopent-3-enyl]acetate
Peak:m/z	Relative Intensity
53.03934	3.5
55.01879	12.5
55.05513	29.7
57.03428	5.5
57.32989	1.1
57.52262	1.1
59.05015	1.3
65.03938	2.1
67.05508	38.1
69.03420	4.3
69.07066	2.0
70.06578	2.0
70.89908	2.0
70.90240	1.5
71.04996	86.7
71.27972	1.2
72.05334	1.6
72.08154	14.1
73.02897	2.8
79.05492	12.5
81.03416	5.0
81.07068	10.0
83.04974	4.4
84.08122	1.2
85.02914	6.0
85.06538	2.5
87.04470	31.6
91.05479	19.3
93.07048	21.5
93.31315	1.3
95.04967	26.5
95.08605	22.2
97.06517	3.7
98.97559	1.4
98.98468	2.8
99.04461	5.3
101.02361	2.0
101.06064	1.7
105.03387	3.7
105.07033	10.6
107.08574	2.0
109.06517	8.1
109.10157	9.9
111.04506	1.5
111.08103	1.3
113.02352	1.3
113.05997	5.1
115.03925	6.0
119.08590	14.8
121.06490	5.1
121.10169	1.3
123.04438	1.9
123.08073	100.0
129.07008	1.5
133.02831	3.2
135.08069	2.2
136.06239	2.5
137.05984	3.6
137.09625	45.2
138.52045	1.6
140.12376	1.1
147.04391	1.5
147.08049	5.7
150.00104	1.2
152.01553	2.2
157.18286	1.2
165.05391	1.8
165.09129	18.7
177.99591	31.4
178.99841	2.1
180.59386	1.1
183.10190	13.5
192.04774	1.4
195.02226	8.7
196.00587	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0655
Annotation	3-[(1E,4R)-4-Hydroxycyclohex-2-en-1-ylidene]-2-oxopropanoate
Peak:m/z	Relative Intensity
51.02396	0.8
53.03955	2.9
55.01874	3.8
55.05276	0.7
55.05517	10.9
56.05038	0.6
56.96572	4.1
57.03432	2.2
58.54539	0.6
59.05006	0.6
62.10080	0.7
65.03922	2.4
67.05505	9.4
68.05024	0.8
69.03413	2.0
69.07059	1.3
69.14226	6.7
70.06591	2.9
71.01352	0.7
71.04996	26.3
72.05312	1.3
72.08161	6.1
77.03933	3.2
79.05507	4.9
81.03424	2.2
81.07064	5.0
83.04974	2.2
84.04501	0.8
84.08164	3.7
85.02914	2.9
85.06553	1.4
86.06087	0.6
86.09698	1.2
87.04469	4.7
91.05483	7.0
93.03380	1.3
93.07058	6.1
94.04176	3.3
95.01334	0.8
95.04975	13.5
95.06103	0.8
95.08614	5.3
97.02924	1.0
97.06541	1.9
98.97561	2.9
98.98476	6.6
99.04453	2.8
101.00877	1.6
101.95029	1.5
105.02733	0.9
105.03405	14.5
105.04492	1.2
105.07003	2.8
107.04952	2.7
107.08573	1.2
109.02887	1.3
109.06516	3.9
109.10176	3.6
109.29588	0.6
110.03665	10.4
110.06052	0.8
111.04456	3.8
113.02368	2.2
113.06044	1.6
114.09154	0.7
115.03930	1.2
116.98595	1.1
117.06971	0.9
119.01922	4.8
119.04945	2.8
119.08586	4.8
120.08151	1.2
121.06522	1.4
122.00635	0.8
122.03669	8.1
123.04483	5.4
123.08079	18.2
124.07593	0.8
124.99989	1.0
125.05994	15.5
127.01554	1.2
128.98557	1.0
129.07103	0.6
133.02863	100.0
134.03221	1.6
137.03035	1.3
137.05989	50.2
137.09616	9.1
138.05464	0.7
138.06425	0.6
138.09142	1.4
138.51999	1.1
139.07539	0.6
140.04659	1.6
141.05490	1.3
141.09048	0.8
142.03510	1.4
147.04420	4.7
147.08043	1.6
155.07056	1.1
155.09003	5.2
161.02930	0.7
165.05492	15.6
165.09117	5.2
165.12793	0.6
166.08554	1.1
177.98228	1.1
177.99606	9.7
178.99998	0.8
180.01202	0.6
183.06538	3.7
183.08118	1.4
183.10066	2.8
183.11620	1.2
184.06003	0.6
184.07442	1.6
184.09686	1.3
195.02274	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1542
Annotation	(+)-Myrioxazine B
Peak:m/z	Relative Intensity
55.01868	1.5
55.05513	7.2
57.03436	1.7
57.07085	3.8
58.02965	37.5
67.05510	22.2
69.03424	1.1
69.07072	67.5
69.15704	5.9
69.16125	1.7
70.06597	3.6
70.07395	1.2
72.08176	0.8
74.06063	1.8
78.93810	0.7
79.05498	9.5
81.06594	1.3
81.07063	21.8
82.06578	1.2
83.04969	2.8
83.08621	8.0
84.08144	9.8
84.97427	0.7
85.06523	0.7
86.06052	1.7
89.73421	0.6
91.05492	6.4
93.07056	10.7
95.04952	2.0
95.08608	8.5
97.06517	4.7
98.06079	3.3
98.06664	0.6
98.09691	2.7
98.97602	1.8
99.97948	1.0
100.07629	7.7
105.07034	18.0
107.07884	0.9
107.08604	16.2
109.06514	3.0
109.10162	49.4
110.10415	0.7
111.84415	0.8
112.07600	2.5
114.09173	13.9
119.08574	1.9
121.10150	2.3
123.08073	1.1
123.11714	8.2
126.06322	0.9
126.08238	0.7
126.09162	14.6
126.12782	1.8
133.10138	29.2
134.10448	0.9
135.11693	21.0
136.07571	1.4
137.13293	1.1
138.12791	23.4
140.10780	1.5
140.14270	0.7
140.18623	0.8
147.11671	5.3
151.11191	9.9
153.12741	13.5
154.08659	1.5
154.15950	1.3
164.07088	0.8
164.11505	1.4
164.14331	3.0
165.12741	2.4
178.22606	0.7
182.08138	1.4
182.15413	100.0
183.15807	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	182.0814
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
51.30455	0.2
53.03944	1.9
53.99858	0.2
55.01875	0.2
55.05513	0.7
65.03947	0.6
67.05512	0.8
69.32729	0.7
69.33154	1.0
70.61259	0.2
71.04992	1.1
72.08141	0.3
77.03933	0.9
79.05489	1.1
80.05015	0.4
81.03416	0.7
81.07059	0.8
83.04979	0.5
83.07359	0.4
84.05337	0.3
84.08144	0.3
86.06077	0.4
91.05479	4.8
93.05799	0.7
93.07051	3.9
94.06576	0.6
94.07323	0.2
95.04973	3.2
97.06516	0.3
98.21490	0.3
100.97682	0.2
105.04497	1.0
108.04482	1.1
108.08129	2.2
108.08814	0.3
122.06056	2.1
122.10477	0.3
123.04423	1.6
125.02245	0.2
125.06023	0.3
126.05536	1.7
126.09167	0.6
129.25400	0.2
136.07582	100.0
137.07909	1.1
137.80791	0.2
140.04730	0.3
140.07066	2.1
154.08626	2.8
155.09013	0.2
164.07071	49.9
164.11499	1.2
165.07416	0.8
177.99544	0.3
182.08099	1.3
182.12592	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.03
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54710	0.5
58.99873	3.4
62.46182	0.5
68.09031	0.6
69.96470	0.6
70.32797	2.3
70.99870	1.7
73.01421	0.7
78.96065	0.5
82.01452	17.5
82.01940	1.0
83.01527	0.7
91.02448	0.9
91.05498	1.8
93.54314	0.6
94.99825	4.2
97.01385	0.6
98.97600	0.7
100.02493	22.9
101.00907	1.5
101.02512	0.7
112.27000	0.7
113.00879	41.5
114.00944	0.8
114.04100	0.9
115.02465	4.0
118.03505	3.5
119.01928	2.3
119.04978	1.5
123.04433	2.3
131.01920	100.0
132.02032	2.7
133.03467	7.8
136.02446	12.0
136.07597	3.9
138.03961	0.7
138.20068	0.6
141.00336	1.8
142.03563	0.6
144.99812	1.0
149.02972	17.6
151.03453	0.7
151.04517	2.7
154.03508	80.1
155.03653	2.1
156.05069	6.8
159.01408	12.3
165.05499	1.0
172.04567	14.3
173.04750	0.7
174.06148	0.7
177.02461	34.4
178.02586	0.7
182.02992	20.4
182.08092	1.0
183.03204	0.8
195.03493	4.8
200.04063	18.5
201.04117	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1225
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03947	1.9
55.01866	1.8
55.05502	3.1
56.96567	1.8
57.03434	1.0
57.07080	22.9
59.04991	3.2
62.07503	0.8
66.62112	0.7
67.05501	2.1
68.91580	0.8
69.03445	1.6
69.07079	3.7
69.80686	4.1
71.31418	0.7
79.05508	9.6
81.03442	5.8
81.07048	5.1
83.04988	46.0
83.08631	1.4
85.06553	0.9
89.09160	0.7
91.05470	3.5
93.07053	10.9
95.04974	16.1
95.08606	1.4
97.05922	1.4
97.06538	24.8
98.20769	1.4
98.97591	17.7
103.05473	0.7
105.04566	0.7
105.07046	6.9
107.04966	2.2
107.08603	11.4
109.06537	1.3
111.08101	1.0
116.98621	7.4
117.07010	2.4
119.08582	3.5
121.06523	4.1
121.10153	15.2
123.08046	0.9
125.06004	60.2
126.06330	1.6
130.07831	2.2
133.10077	1.2
134.99649	1.8
135.04416	2.7
135.08005	1.6
135.11708	6.5
136.07597	6.8
145.10124	12.0
153.41344	0.7
163.11192	100.0
164.07114	4.3
164.11519	2.9
181.05029	0.8
181.08636	1.2
181.12245	30.6
195.26695	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03943	1.3
55.01882	1.3
55.05518	3.2
56.82298	0.6
57.06794	1.1
57.07079	22.2
59.04998	2.3
67.05496	1.7
69.03428	1.1
69.07070	3.7
71.04145	1.4
71.04979	0.7
72.09478	0.6
79.05495	9.1
81.03427	5.8
81.07075	3.9
83.04986	49.9
85.06533	0.7
91.05495	3.6
93.07047	7.9
93.07580	1.0
95.04968	15.8
97.06539	24.8
99.05577	1.0
101.89924	0.6
105.07031	6.3
107.04954	2.6
107.08602	10.1
109.06528	0.8
111.19926	0.6
117.07037	2.3
119.08597	3.9
121.06528	3.1
121.10159	12.2
123.08086	0.6
125.06002	65.5
126.06340	0.6
130.07799	2.1
135.11696	6.2
145.10135	11.3
148.08875	0.9
154.08644	0.9
163.11192	100.0
164.11597	2.1
181.09886	1.3
181.12247	28.3
182.12550	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03934	3.6
55.01877	34.6
55.05273	1.8
55.05516	26.6
56.96563	4.1
57.03427	4.9
57.07066	2.5
65.03948	2.0
67.05508	40.4
69.03441	3.0
69.07075	11.0
69.35931	11.0
71.04984	6.7
74.30614	1.1
79.05499	39.8
81.03414	6.4
81.07064	40.7
83.04987	75.1
83.08628	12.4
84.05295	1.2
85.02898	3.4
85.06546	6.3
91.05489	21.0
93.07048	66.4
95.04967	18.7
95.08621	7.3
97.06525	15.0
98.97592	47.7
99.08117	7.8
99.08665	1.5
105.04519	1.6
105.07060	7.9
107.04969	11.1
107.08598	22.2
109.06504	6.4
109.10150	4.5
111.04455	5.7
111.08089	100.0
115.05460	1.6
116.98608	16.9
117.07053	8.6
119.08585	16.4
121.06529	8.5
121.10151	39.1
123.08047	1.8
125.05966	6.4
130.07788	1.8
134.99692	7.2
135.04410	1.2
135.08101	6.0
135.11688	20.0
137.09621	3.2
139.07584	1.6
140.00226	1.4
143.08543	1.6
145.10121	18.7
153.12790	10.6
163.03835	1.3
163.11186	41.4
163.14810	1.3
164.11581	1.6
167.44743	1.3
181.04924	3.0
181.08646	3.0
181.10558	1.8
181.12248	51.7
182.12717	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	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
50.09503	0.5
53.03954	1.0
55.01871	1.2
55.05524	3.1
57.07072	2.1
59.05000	3.5
63.96141	0.7
67.05508	3.4
69.03419	2.3
69.07088	3.7
70.99606	1.5
73.02898	0.7
74.08505	0.6
79.05506	7.1
81.07068	9.6
83.04980	2.1
86.13944	0.6
91.05488	3.7
93.06483	1.2
93.07055	19.3
95.04948	1.4
95.08620	18.7
97.06519	2.8
105.07015	4.2
107.04962	1.4
107.08608	36.3
107.73477	0.7
109.06562	0.8
109.10172	2.1
111.04449	1.9
111.08113	2.1
117.07016	1.4
119.08591	4.4
121.06537	5.5
121.10155	20.0
123.08082	4.5
123.11712	0.7
125.06002	4.2
125.09698	0.6
128.12912	0.6
130.07809	0.9
135.08086	0.9
135.11711	46.2
136.12033	1.1
137.09644	0.7
137.13258	1.0
139.07579	7.4
145.10155	11.8
153.12805	2.9
163.11200	30.7
165.07025	0.7
166.07716	1.2
181.12256	100.0
182.12593	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	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
51.89791	1.4
53.03938	2.9
55.05273	2.8
55.05516	37.4
56.96562	5.4
57.03433	2.3
57.07080	22.6
59.04993	2.5
65.71871	1.4
67.05503	11.0
69.03427	4.6
69.07085	7.6
70.89366	1.9
70.89690	2.9
71.95248	2.3
73.99171	1.5
79.05492	14.1
81.03410	1.6
81.07061	13.4
83.04498	2.0
83.04989	34.6
84.49588	1.4
85.06548	6.8
91.05470	9.9
93.07048	25.7
95.04959	11.7
95.08607	16.7
97.06539	23.6
98.97590	60.5
105.07034	12.3
107.04948	3.3
107.08603	39.8
108.89388	1.5
109.06515	6.8
109.10162	3.2
111.04450	100.0
111.08076	6.9
113.06022	3.1
116.98640	23.6
117.07027	5.9
119.08598	5.6
121.06536	9.4
121.10144	12.7
122.07236	1.7
123.08076	2.5
125.06007	71.5
127.07587	3.5
130.07822	5.2
134.99649	7.7
135.08060	24.3
135.11700	21.9
139.07562	2.2
140.00214	3.7
142.25757	1.5
143.08597	2.0
145.10120	23.2
153.12727	5.0
154.08644	3.2
158.01317	1.8
163.11192	60.5
164.11591	1.9
178.98590	1.6
181.10545	3.1
181.12236	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0861
Annotation	Pestalopyrone
Peak:m/z	Relative Intensity
53.03961	1.2
54.59478	0.4
55.01883	1.0
55.05521	1.5
56.09208	0.3
56.96572	1.2
57.03453	0.4
57.07092	0.7
64.03178	0.4
65.03956	1.0
66.04721	0.5
67.05503	2.5
68.99768	0.4
69.03440	0.6
69.07088	1.5
69.67445	2.0
69.79330	0.3
70.06575	0.4
71.05002	1.1
77.03950	0.8
78.04736	2.4
79.05492	4.9
80.06285	0.5
81.03431	1.4
81.07060	3.8
83.04979	1.1
83.08627	0.8
84.08141	0.7
85.06548	1.1
89.03938	1.3
90.04718	1.5
91.05493	7.8
92.06289	1.0
93.03427	0.5
93.07046	3.4
94.04162	0.4
94.06592	0.4
95.04975	3.9
95.08609	3.9
97.06539	1.0
98.20838	0.5
98.97594	9.5
98.98213	0.7
99.08120	0.3
103.05498	0.4
105.03411	0.9
105.04505	0.4
105.07024	1.1
106.04195	1.5
107.04953	5.0
107.08600	3.7
108.05748	1.5
109.06548	3.0
109.10182	0.7
110.07294	0.8
111.08109	0.5
116.98623	4.7
118.04185	0.7
119.04942	1.0
120.05753	1.2
121.02902	0.6
121.06510	2.1
121.10136	2.9
122.03660	1.3
123.04443	5.3
123.08057	0.5
125.06022	0.8
125.09656	0.5
127.59616	0.3
130.07722	0.5
132.80028	0.3
134.03615	0.4
134.99686	1.1
135.04402	1.4
135.08037	1.0
135.11687	1.7
136.05206	3.0
136.07611	0.7
137.05989	13.6
137.13264	1.0
138.06775	5.8
139.07652	0.4
145.10197	0.4
148.05203	48.2
149.05865	1.1
151.03923	6.5
153.05511	0.4
153.09131	0.3
154.08641	1.1
163.09656	0.4
163.11180	1.4
163.14883	0.8
165.05511	1.7
166.06285	1.7
167.03448	0.5
181.08604	100.0
181.15872	1.0
182.08943	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1021
Annotation	N-Acetyltyramine
Peak:m/z	Relative Intensity
51.02378	0.3
53.03957	1.4
53.23578	0.2
55.01870	0.8
55.05518	1.2
56.05039	0.4
56.96564	0.5
60.04513	0.4
65.03951	0.3
67.05508	0.9
68.05040	0.7
69.03438	3.5
69.07066	0.7
70.06587	1.1
71.05006	1.2
71.31729	0.5
72.08162	3.7
77.03924	0.4
79.05507	1.7
80.05026	1.1
80.76886	0.2
81.03417	0.5
81.07055	0.3
82.04263	0.2
82.06602	0.5
83.04988	0.3
84.04543	0.3
84.08144	6.3
85.02925	0.4
85.08472	0.4
86.06073	0.7
86.09704	2.0
91.05485	6.4
93.07049	10.7
94.06557	0.7
94.07390	0.3
95.04977	2.3
96.08085	0.3
97.02920	0.6
98.97585	1.7
103.05476	6.8
105.04531	0.6
105.06974	0.3
105.41642	0.2
106.06581	1.8
106.07230	0.4
107.04971	0.3
108.04484	3.7
108.79944	0.2
109.06450	0.3
110.06059	0.9
110.09689	0.4
111.04454	0.3
112.07607	4.5
116.98625	1.1
117.07076	0.3
120.08127	2.7
121.06513	100.0
122.06036	0.4
122.06828	2.0
123.08107	0.2
124.03995	0.4
124.07578	0.6
125.10692	0.3
125.35163	0.3
129.10245	1.4
130.08688	0.3
134.06024	2.4
134.09648	1.9
134.99658	0.4
135.08061	0.4
136.07628	0.3
136.67180	0.2
138.05495	1.0
138.09154	6.2
144.08092	0.6
152.07077	2.7
152.10724	0.8
162.05479	0.6
162.09149	9.9
163.03925	0.8
180.03998	0.4
180.06601	2.7
180.07854	0.3
180.08635	0.5
180.10182	7.3
180.11711	0.4
180.13770	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.02358	1.1
52.74593	1.1
53.03940	4.9
53.81053	1.1
55.01876	2.6
55.05518	6.6
57.07068	3.6
59.04996	3.6
67.05177	2.0
67.05512	24.6
69.03418	3.3
69.07075	9.3
71.04986	11.7
71.23607	2.3
74.86127	1.1
76.02226	1.8
78.17892	1.2
79.05494	18.9
81.06596	2.3
81.07063	45.0
83.04990	2.8
83.08617	3.5
85.06541	3.7
85.89986	1.1
89.49054	1.2
91.05491	20.7
93.07052	100.0
95.04968	6.6
95.08614	51.4
95.72825	1.1
97.06532	4.7
105.04508	2.6
105.07037	30.8
106.07372	1.1
107.08605	23.7
109.06541	7.9
109.10161	35.5
117.07061	1.6
119.04974	2.1
119.06194	1.1
119.07726	1.6
119.08591	54.9
121.10158	64.6
122.10497	2.0
123.04459	1.5
123.08080	21.3
123.11703	13.6
133.06461	3.9
133.10135	14.1
135.11703	8.2
137.09633	5.1
137.13255	3.6
147.04413	2.6
151.14894	1.3
157.88918	1.2
161.06007	2.6
161.09612	2.2
161.13269	64.6
162.09142	1.4
162.13608	2.1
179.03436	5.4
179.06949	2.7
179.08530	2.1
179.10716	3.5
179.14319	53.3
179.17976	3.0
180.10187	1.5
193.58080	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.52726	0.6
53.03949	0.9
54.85331	0.6
55.01863	1.9
55.05513	5.0
57.03443	1.5
57.07075	1.3
65.03943	1.5
67.05512	8.3
69.03429	1.4
69.07061	6.8
70.55549	1.3
71.04985	2.2
78.83642	0.6
79.05497	11.5
80.05035	0.6
81.03407	1.0
81.07059	45.7
82.07375	0.9
83.04999	1.8
83.08601	1.2
85.06548	45.1
91.05487	13.1
91.95427	0.6
93.07049	16.3
95.05003	3.3
95.06096	2.4
95.08610	18.7
97.06517	4.9
99.08103	1.3
103.05460	1.4
105.07034	100.0
106.07301	1.5
107.08594	10.9
109.06521	5.1
109.10171	6.3
111.08064	1.9
112.07575	1.8
115.05467	0.8
117.07026	1.8
119.04964	5.8
119.08585	34.0
120.08115	0.8
120.08884	0.7
121.06536	1.4
121.10156	15.4
123.04435	1.8
123.08067	7.3
123.11723	1.7
131.08603	1.5
133.06525	1.4
133.10141	15.6
134.06071	1.2
135.11703	12.7
137.05956	1.0
137.09613	2.6
138.09128	1.8
146.10902	0.9
147.04420	12.5
151.03918	0.8
151.07466	0.7
151.14803	0.8
151.94148	0.7
161.05998	1.3
161.09615	1.8
161.13264	56.5
162.09097	4.4
162.13594	1.1
179.03363	4.1
179.06500	3.5
179.08424	1.4
179.10643	2.5
179.14319	39.0
180.06477	1.2
180.10159	2.9
180.14674	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
50.94656	0.8
53.03952	6.2
55.01871	11.5
55.05515	29.5
57.03422	3.3
57.07060	2.6
59.04990	1.1
65.03149	0.9
65.03938	3.3
66.59753	0.9
67.05508	100.0
69.03418	3.4
69.07072	15.3
70.81209	2.2
71.04993	2.8
77.03903	1.4
79.05497	58.0
80.05788	0.9
81.03425	21.6
81.07060	87.9
82.07401	1.3
83.04988	32.8
83.08624	15.6
85.06543	3.3
91.05487	50.0
93.07048	41.3
94.06590	1.0
95.04975	11.5
95.08611	68.7
96.08931	1.2
97.06538	31.5
97.10166	3.4
97.82080	0.9
99.08087	3.0
105.04518	2.4
105.07039	27.4
107.08596	10.3
109.06522	7.2
109.10155	11.5
111.08102	8.0
112.07603	2.3
112.53555	0.8
113.09649	7.7
117.07057	2.2
119.08588	32.6
120.08125	1.2
120.08889	1.1
121.10140	5.4
123.04417	1.0
123.08055	4.5
131.08537	1.2
133.10146	19.2
134.10564	1.0
135.11723	7.2
137.09625	2.3
137.43698	0.9
138.09125	1.5
151.03821	0.9
152.07126	1.4
159.11676	1.1
161.06013	1.3
161.09666	1.4
161.13269	14.6
162.09099	4.2
179.03378	5.2
179.06476	3.5
179.08635	1.9
179.10492	1.8
179.11777	3.3
179.14314	42.2
180.06596	1.4
180.10237	2.5
180.14624	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1068
Annotation	Methylisoeugenol
Peak:m/z	Relative Intensity
52.52254	0.5
53.03972	1.1
55.01908	2.1
55.05547	1.9
56.96600	1.1
57.14065	0.6
59.05037	0.8
65.03979	1.2
67.05512	5.8
69.03429	2.9
69.07115	1.7
70.06625	0.7
70.85561	1.3
71.05002	1.3
77.03974	0.6
79.05497	5.4
80.06326	1.0
81.03447	0.7
81.07063	7.4
83.05013	1.2
83.08666	0.9
85.06554	0.8
86.06074	0.7
90.04784	0.6
91.05489	24.2
93.07050	6.0
94.06609	1.2
95.04974	5.7
95.06136	2.4
95.08621	4.9
96.06408	0.7
97.06567	1.6
103.05513	2.5
104.06282	3.7
105.03413	0.7
105.07037	10.3
105.07669	0.7
106.04229	0.9
106.06631	1.1
107.04961	9.8
107.08628	2.5
108.04553	1.6
108.05785	2.4
109.06515	3.2
109.10195	2.3
110.06078	1.1
112.07600	3.6
115.05475	4.4
116.06252	0.9
117.07020	5.9
119.04934	3.6
119.08578	8.2
120.08137	2.2
121.06516	15.4
121.10163	1.6
123.04436	7.2
123.08096	2.7
123.11794	0.7
124.05244	2.2
126.12857	0.6
129.07030	0.7
131.04929	3.4
132.05731	6.2
133.02873	2.0
133.06523	6.1
133.10133	4.8
134.06035	1.2
134.09648	1.3
135.04395	4.6
135.08049	1.9
135.11725	1.3
136.05208	22.6
137.05966	2.3
137.09636	1.8
138.06772	17.6
138.09172	2.0
139.07535	3.6
146.07385	1.1
147.04439	3.1
147.08052	16.2
148.08846	10.5
149.06009	10.2
149.09529	0.7
151.07555	100.0
152.07974	1.4
161.06001	2.8
161.09616	2.0
161.10866	0.8
161.13199	3.4
162.09163	9.3
163.07631	0.9
164.03960	1.0
164.08340	22.6
165.08627	1.3
167.64543	0.6
178.07816	1.4
179.03407	7.9
179.06662	4.6
179.08620	3.0
179.10651	33.1
179.14125	4.2
180.06537	2.1
180.10112	4.2
184.31572	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	0.5
58.99849	0.8
67.05499	0.6
69.03420	0.8
69.53514	2.3
77.01976	0.4
79.05465	0.3
81.07069	0.5
81.77175	0.4
82.01441	1.6
82.71643	0.3
82.99840	3.4
85.01401	0.4
91.05490	0.5
93.07048	0.4
100.02488	2.9
101.00887	39.1
102.00957	1.2
103.02431	0.6
105.07014	1.0
108.04461	0.4
112.07645	0.5
115.00609	0.7
115.02430	3.8
118.03523	1.2
119.01926	100.0
119.08542	0.4
120.02020	3.1
121.02382	0.4
131.05440	0.5
133.01743	2.2
133.03479	12.9
133.06477	0.8
133.10164	0.6
134.03688	0.4
137.02963	22.1
138.03053	0.8
138.04021	0.8
142.03520	1.7
143.01889	0.7
146.03659	0.8
147.04367	0.9
151.04550	3.6
152.07135	0.6
156.02158	0.5
156.03197	0.8
156.03691	0.4
156.05067	6.9
156.74280	0.4
156.97450	1.7
157.03528	1.8
161.02963	24.9
161.05820	0.7
162.03140	0.9
162.09158	1.2
174.03104	2.1
174.06073	2.3
174.98506	0.6
175.04544	0.8
179.04039	24.4
179.10591	0.7
179.99080	1.1
180.04095	0.7
180.10254	1.1
184.04698	0.4
192.04201	0.4
196.47287	0.3
197.00650	0.8
197.03014	0.8
198.00098	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.034
Annotation	Esculetin
Peak:m/z	Relative Intensity
51.02393	0.4
53.03944	0.7
55.01872	1.6
55.05529	0.4
57.03440	0.3
57.07080	0.4
59.05008	0.4
59.68824	0.3
60.04511	0.3
60.08152	0.3
65.03941	0.4
67.05519	2.0
68.05040	0.6
68.99795	0.3
69.03441	0.4
69.07076	0.5
70.06609	1.6
71.05003	0.3
71.49401	0.4
72.08158	1.0
76.02229	1.0
77.03940	1.4
79.05512	1.5
81.03437	0.7
81.04591	0.3
81.07058	1.1
83.05014	0.3
84.08155	3.1
85.02885	0.4
86.09724	0.4
89.03919	2.5
91.05487	3.3
92.07892	0.5
93.07051	1.0
94.29518	0.3
95.04990	2.3
95.06096	2.1
95.08622	0.8
97.08915	0.3
98.98528	0.5
103.05478	0.4
105.03412	3.7
105.07040	4.2
106.06565	0.4
107.04981	0.8
107.08585	0.7
108.04419	0.3
109.02886	1.0
109.06523	0.8
109.10146	0.4
112.07626	0.3
112.08744	0.5
113.51038	0.3
115.05453	0.6
117.03398	1.0
117.07029	0.4
119.04953	3.6
119.08604	1.1
121.06541	0.8
121.10170	0.3
123.04442	40.0
123.08065	0.7
124.04807	0.6
133.02864	27.9
133.06487	3.2
133.10129	2.1
134.03162	0.3
134.06023	0.6
135.04425	5.1
136.05200	0.4
137.06004	1.0
137.09581	0.3
138.06641	0.4
138.09242	0.3
147.03394	0.4
147.04439	3.9
151.03925	10.2
151.05130	0.5
151.07591	1.5
151.11211	0.7
152.07082	0.8
152.53421	0.3
161.02332	0.7
161.06001	3.7
161.07219	0.4
161.09590	0.7
161.13213	0.4
170.97981	0.3
179.03409	100.0
179.10492	2.3
179.14273	0.6
180.03839	1.7
180.06578	0.5
180.75444	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
53.81037	1.3
55.05516	12.1
57.07059	2.2
60.08593	1.0
62.77266	1.0
63.02344	0.9
67.05505	6.4
68.05842	1.4
69.03436	1.7
69.07076	28.3
70.62439	3.9
72.97134	1.2
79.05495	19.0
81.07065	19.6
83.08624	12.8
85.03999	1.1
89.03922	11.7
91.05486	16.2
93.07052	41.4
95.04976	4.1
95.08612	39.4
96.05306	2.6
97.02901	1.8
97.10188	2.9
98.03221	1.2
98.98482	16.7
99.06386	1.6
103.05466	4.0
105.04543	1.3
105.07040	15.7
106.04166	1.2
107.04958	4.0
107.08604	72.3
109.06532	2.2
109.10177	13.7
117.03388	21.7
117.07018	4.0
117.52567	1.0
119.08597	6.1
120.08128	5.6
121.06516	5.7
121.10155	100.0
122.10465	2.5
129.07082	1.4
131.06859	1.1
131.08569	7.3
133.10155	5.1
134.03651	3.2
135.08058	2.4
135.11708	15.8
136.06184	1.6
141.07401	3.7
142.05817	1.2
145.02859	23.5
149.02322	2.5
149.06010	9.1
149.09631	3.0
149.13271	6.2
159.08281	3.4
159.11696	5.6
177.05461	13.4
177.09105	8.5
177.12798	13.9
177.16403	56.6
178.16736	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	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
51.65639	0.6
52.39091	0.7
53.03946	2.3
55.01876	1.6
55.05265	1.1
55.05515	12.2
57.03421	0.7
57.07067	3.0
61.44876	0.7
62.67387	0.6
65.03947	1.9
67.05177	1.2
67.05509	14.0
68.05837	1.7
69.03430	2.1
69.07072	26.1
69.39441	5.3
70.06607	0.9
70.07404	0.7
71.06922	0.8
73.02895	0.9
78.04735	0.7
79.05497	22.3
80.05007	1.1
80.05819	1.2
81.03433	1.3
81.07059	24.7
83.04983	1.5
83.08626	15.1
88.02186	0.9
89.03925	8.0
91.05486	17.8
93.07051	48.4
94.07377	1.0
95.04972	4.4
95.06102	0.9
95.06953	1.4
95.08614	49.5
96.05301	2.6
96.08907	0.9
97.02881	1.3
97.06516	0.9
97.10180	2.8
98.03238	2.7
98.06068	1.5
98.21558	1.4
98.98474	24.7
99.06409	2.1
100.77972	0.6
103.05468	2.6
105.04523	0.9
105.07036	16.0
106.04175	2.7
107.04977	3.4
107.08600	66.9
108.04519	1.0
108.08963	1.2
109.06546	1.9
109.10166	14.9
113.63512	0.7
115.05376	0.6
116.06276	1.1
117.03381	14.7
117.07025	4.3
119.06041	0.6
119.08591	6.8
120.08096	1.0
121.06518	6.1
121.10149	100.0
122.06054	0.9
122.10503	1.3
123.06395	1.0
123.08092	0.8
129.06998	1.8
131.04938	2.1
131.08578	7.5
133.06525	1.0
133.07602	1.4
133.10133	6.3
134.03645	2.3
135.04424	1.4
135.08098	3.1
135.10701	1.3
135.11702	20.1
135.12726	1.0
136.06206	2.1
141.07437	5.0
142.05826	1.8
144.09322	2.1
145.02841	20.1
149.02373	3.0
149.05978	8.3
149.07079	0.7
149.09633	3.0
149.13268	9.3
149.94579	1.0
150.09123	0.9
159.04402	0.9
159.08199	4.6
159.11697	8.9
162.03123	1.1
177.05446	10.0
177.06679	1.3
177.09058	8.2
177.12762	20.5
177.16400	57.6
178.04993	0.9
178.08688	2.3
178.16862	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	177.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.7
55.01876	2.0
55.05514	16.5
57.07075	2.4
65.03938	2.1
67.05505	10.4
68.05811	2.3
69.03421	1.4
69.07072	25.3
69.33937	7.7
69.34342	2.5
76.47298	1.4
79.05499	24.0
81.03427	1.5
81.07058	28.5
83.08633	14.2
89.03912	6.3
91.05484	18.9
91.90678	1.1
93.07049	57.7
95.04969	4.6
95.08611	52.1
96.05319	1.5
97.10192	6.2
98.03221	3.4
98.97867	2.0
98.98476	24.9
99.06406	2.5
103.05473	3.0
105.07039	13.5
107.04951	2.1
107.08598	67.9
109.06501	1.7
109.10172	15.9
117.03387	10.4
117.07027	4.1
119.08608	6.4
121.06509	6.1
121.10152	100.0
122.10470	1.8
123.83428	1.2
129.06976	1.3
131.08588	7.6
133.06511	3.6
133.10143	6.1
134.03604	1.9
135.08081	3.9
135.11702	23.7
141.07428	6.7
142.05759	1.5
145.02866	13.8
149.02391	2.9
149.06036	6.6
149.09627	3.5
149.13277	8.1
157.48631	1.2
159.08327	3.3
159.11725	6.0
162.03140	1.4
163.03922	1.2
177.05424	7.3
177.09000	7.9
177.12796	14.0
177.16402	57.6
178.08612	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	177.164
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03947	1.2
55.01878	1.4
55.05514	12.3
56.96565	0.6
57.07068	1.5
65.03947	1.0
67.05170	0.9
67.05505	8.7
69.03426	0.8
69.07073	28.6
70.78738	1.0
70.79074	1.0
71.05035	0.5
71.08620	0.5
77.03923	0.6
78.04713	0.7
79.05497	15.5
80.05827	0.5
81.03418	0.8
81.07063	16.8
83.08154	0.9
83.08624	14.8
89.03924	5.5
91.05483	11.9
93.07049	37.1
94.07355	0.6
95.04965	2.0
95.06149	0.5
95.06937	0.9
95.08611	36.1
96.05296	1.3
96.08939	0.7
97.02909	0.9
97.06548	0.6
97.10194	2.8
98.03211	1.2
98.98470	8.1
99.06408	1.3
103.05473	1.6
105.04560	0.8
105.07034	11.0
106.04186	0.8
106.07832	0.8
107.04956	1.3
107.08599	75.9
108.08894	0.6
109.06532	1.4
109.10162	12.8
113.04290	0.5
115.05445	0.7
116.06230	0.8
117.03387	9.1
117.07008	3.6
119.06084	1.2
119.08592	4.4
120.08117	1.3
121.06522	2.0
121.10149	100.0
122.10480	1.4
123.06437	0.5
123.08064	1.6
124.04758	0.6
129.07008	0.8
131.04910	1.0
131.06850	0.5
131.08551	4.5
132.08069	0.6
133.07597	1.1
133.10117	4.5
134.03642	0.5
135.04399	0.5
135.08054	1.6
135.11702	19.6
136.06146	0.6
141.07451	2.5
142.05772	0.7
144.09338	1.2
145.02847	10.3
149.02332	1.6
149.06017	3.4
149.09599	1.1
149.13272	6.7
159.08282	2.2
159.11708	5.7
177.05479	5.0
177.09160	3.8
177.12781	9.4
177.16394	49.2
178.08647	1.2
178.12190	0.5
178.16779	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34158	1.0
53.03937	3.0
55.05267	1.8
55.05513	19.7
55.21798	1.1
57.07065	1.5
65.03931	1.7
67.05511	11.6
69.07076	21.2
71.04473	1.0
71.04800	1.4
77.16773	1.3
79.05064	2.2
79.05495	24.7
81.07062	37.2
83.08624	17.1
88.77422	1.2
89.03925	1.6
91.05485	13.0
93.07049	56.3
93.52094	1.0
94.07389	1.2
95.04975	3.6
95.08615	58.6
97.10179	6.4
98.98489	10.6
105.07042	9.7
107.04990	1.4
107.08605	76.5
109.06519	1.7
109.10155	20.1
117.03384	3.9
117.07022	2.9
119.08557	4.0
121.06484	2.6
121.10153	100.0
131.08565	3.2
133.10106	2.4
135.11697	20.1
141.07413	1.6
145.02881	4.7
149.06029	2.3
149.09569	1.2
149.13277	7.0
159.08066	1.6
159.11696	2.1
177.05463	3.8
177.09163	2.4
177.12871	6.2
177.16408	58.7
178.08676	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.164
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03933	1.4
55.01865	1.1
55.05522	13.7
57.07081	2.0
67.05513	13.2
68.05836	1.1
69.07075	25.4
69.26451	9.0
73.09483	1.1
79.05499	21.8
81.07064	30.4
83.08632	15.6
83.65511	1.1
89.03924	3.9
91.05489	12.3
93.07056	51.3
93.07648	2.5
95.05021	1.8
95.08616	50.8
97.02868	1.4
97.10155	5.3
98.03233	1.8
98.97873	1.9
98.98480	21.7
99.06362	1.6
103.05453	1.7
105.07049	12.4
107.04928	1.5
107.08607	65.5
108.08936	1.5
109.10177	16.5
117.03383	7.8
117.07040	1.7
119.06043	1.8
119.08620	4.4
119.87405	1.0
121.06495	3.1
121.10160	100.0
131.08582	5.2
133.06543	1.7
133.10182	2.3
134.95908	1.1
135.08051	2.0
135.10735	1.4
135.11726	21.0
136.06291	1.5
141.07413	4.1
144.09364	1.7
145.02843	7.8
149.02338	2.7
149.05951	3.4
149.09659	1.9
149.13272	6.0
149.94585	1.0
159.08409	3.3
159.11752	4.2
177.05443	5.7
177.06793	1.3
177.09346	4.5
177.12781	9.0
177.16422	53.3
178.08720	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	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03946	1.7
55.05272	1.6
55.05518	19.5
56.91281	0.9
57.01531	1.0
57.07078	2.2
58.04649	1.0
65.03935	2.1
67.05508	13.7
69.03391	1.2
69.07071	19.4
71.50917	1.1
74.40702	1.0
75.55717	1.0
77.03918	1.8
79.05499	25.1
81.07063	50.3
83.08620	14.3
88.02277	1.1
91.05479	13.7
93.07051	62.9
95.04961	3.4
95.08611	62.3
96.08952	1.3
97.06521	1.9
97.10178	5.2
98.03263	1.0
98.98474	13.1
103.05486	1.1
105.04504	1.1
105.07038	13.2
107.04959	1.6
107.08599	68.4
108.08929	2.1
109.06531	3.0
109.10171	20.9
117.03370	2.7
117.06985	2.5
119.08575	4.6
121.06509	5.3
121.10152	100.0
122.10456	1.3
123.08051	1.2
123.11727	0.9
131.08560	6.2
133.10141	3.1
135.04494	1.7
135.08037	2.0
135.10724	1.4
135.11711	23.7
141.07390	2.4
145.02853	4.2
149.02362	2.4
149.06000	2.5
149.09555	1.3
149.13275	10.0
159.08296	1.9
159.11708	10.8
177.05458	5.6
177.09285	3.4
177.12822	13.2
177.16402	57.2
178.08647	1.3
178.16753	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	177.1276
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03947	3.4
55.01677	0.5
55.01877	6.6
55.05518	10.6
56.96572	1.3
57.03426	2.2
57.07082	0.7
65.03936	1.8
67.05509	27.0
68.05827	1.3
69.03413	2.1
69.07076	16.6
71.04972	0.7
76.00197	0.6
77.03894	0.9
79.05502	38.6
81.03430	5.1
81.07063	46.6
82.07383	0.6
83.04983	4.7
83.08225	0.7
83.08632	7.7
85.06545	1.0
89.03919	4.4
91.04906	1.4
91.05489	40.6
93.07050	67.0
95.04981	10.6
95.08614	30.9
96.05296	1.3
96.08883	0.7
97.02853	0.7
97.06539	8.2
97.10179	2.2
98.21526	1.5
98.98476	19.5
99.08130	0.6
100.98904	0.6
103.05441	2.6
105.04536	2.2
105.07039	26.7
106.04198	0.8
107.04979	3.9
107.08601	49.3
109.02904	0.8
109.06507	5.5
109.10168	7.1
111.08096	3.0
115.05438	1.9
116.06246	0.9
117.03391	6.7
117.07027	22.6
118.07822	0.8
119.06010	0.8
119.07829	0.7
119.08599	8.1
121.02879	0.9
121.06512	7.7
121.10153	45.7
123.08079	1.6
129.07010	2.5
130.07860	0.9
131.04985	0.6
131.08577	30.8
132.08922	1.3
133.06519	1.4
133.10143	33.0
134.03619	0.8
135.04391	1.2
135.08070	11.7
135.11705	18.3
141.07375	2.0
144.09341	2.6
145.02852	8.3
149.02336	3.0
149.05937	3.7
149.09605	6.0
149.13269	16.8
149.14211	0.5
157.10139	1.1
159.08112	1.9
159.11708	45.3
160.11993	1.1
162.03116	0.8
177.05449	6.6
177.09282	4.7
177.12762	100.0
177.16362	21.8
178.04984	1.1
178.08672	1.9
178.13133	2.9
186.36824	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1275
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03938	2.5
55.01868	1.7
55.05515	21.2
57.03436	2.1
57.07057	1.6
67.05512	7.5
68.05825	0.9
69.03440	6.6
69.07082	9.0
70.43202	1.0
79.05501	11.2
81.07067	8.1
83.04992	28.2
83.08614	1.2
89.03927	4.1
91.05487	12.8
93.07052	21.3
95.04972	4.1
95.08620	10.1
97.06538	1.0
98.03217	1.2
98.98472	18.4
99.06409	1.4
103.05479	2.4
105.07033	15.4
107.04981	1.3
107.08609	35.1
109.06539	6.0
109.10177	2.1
115.05445	1.1
116.06242	1.3
117.03402	5.5
117.07024	4.9
117.63421	1.1
119.08591	13.8
119.89566	1.0
121.06535	8.5
121.10154	39.7
123.08083	6.1
128.06233	1.5
129.07019	5.6
131.08582	14.7
133.06526	1.3
133.10132	5.2
135.08069	15.1
135.11697	13.4
136.08832	3.8
137.09662	1.3
141.07396	3.6
144.09370	15.6
145.02875	6.0
147.08057	2.1
149.02386	3.3
149.06012	2.8
149.09645	13.1
149.13289	16.1
157.10194	2.0
159.04378	1.2
159.08266	4.5
159.11710	41.5
162.10443	2.4
175.11322	0.9
177.05455	4.6
177.06601	1.6
177.09178	5.6
177.12773	100.0
177.16368	4.0
178.07674	2.8
178.13097	3.1
195.90236	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0548
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03944	0.9
62.01601	0.5
63.02353	1.6
68.05846	0.3
70.22961	0.6
70.23355	0.6
71.04990	0.4
77.03945	0.6
78.04715	2.9
79.05502	0.7
81.07046	0.3
89.03925	43.3
90.04269	0.7
91.05494	2.7
93.06235	0.3
93.07040	0.9
95.04967	0.5
96.05285	0.4
98.03213	0.3
98.98483	2.2
103.05483	2.0
105.03397	0.5
105.07058	0.3
106.04188	4.2
117.03389	82.0
118.03668	1.4
119.04917	0.6
121.06536	0.9
121.10146	0.4
124.05213	0.4
134.03633	8.9
135.04436	3.7
141.07417	1.0
145.02856	100.0
146.03178	1.7
147.04422	0.4
149.05995	23.2
150.06346	0.5
157.56435	0.3
159.08374	0.3
162.03139	1.0
163.03906	1.2
177.05479	20.8
177.09164	0.6
177.12610	0.4
178.05913	0.3
178.08585	0.5
180.17538	0.3
180.19159	0.4
186.05502	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0548
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
52.80085	0.3
53.03940	0.8
54.23515	0.3
59.98392	0.3
63.02383	1.4
65.03947	0.4
66.20605	0.3
70.28040	1.4
77.33222	0.3
78.04709	3.4
79.05498	1.0
80.52769	0.3
89.03921	47.9
90.04253	0.7
91.05491	3.4
93.07036	0.8
95.04977	0.8
96.05295	0.4
97.02923	0.5
98.03223	0.9
98.97606	0.9
98.98481	2.8
99.06361	0.4
103.05457	1.8
105.03414	0.8
106.04180	4.3
107.04968	0.5
107.08611	0.3
117.03384	83.3
118.03719	1.4
119.04934	0.4
119.08603	0.4
120.08141	0.8
121.06507	0.9
121.10136	0.4
129.04448	0.3
134.03638	10.2
135.04434	3.5
141.07425	1.8
145.02850	100.0
146.03166	2.5
147.04501	0.4
149.05983	25.4
159.08493	0.4
162.03149	1.0
163.03879	1.1
174.62177	0.3
177.05472	22.1
177.09407	0.8
177.12685	0.3
178.06036	0.4
178.08630	0.7
186.05597	0.6
189.93150	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.092
Annotation	Calystegine B1
Peak:m/z	Relative Intensity
53.03933	2.6
55.01873	5.2
55.05513	4.4
56.05024	3.5
63.05207	1.0
65.03945	1.8
67.05512	26.5
68.05022	3.0
69.03417	2.8
69.07076	1.2
69.63016	5.3
70.06602	14.6
71.01352	4.6
71.04984	4.0
71.06924	2.0
72.04478	1.1
73.02913	3.1
77.03919	1.0
79.05499	8.3
80.05016	2.5
81.02986	1.7
81.03429	13.8
82.06587	1.2
83.04965	2.0
83.94548	0.9
84.04519	2.5
84.08157	1.3
85.02899	3.1
85.06546	2.6
86.06052	1.1
87.04454	1.2
93.03413	2.1
94.06580	20.9
95.04375	2.2
95.04980	44.4
95.08968	1.1
96.04512	2.8
97.02905	53.3
98.06067	25.0
99.00812	2.8
99.04465	3.3
110.06050	3.0
111.04448	6.2
112.03976	9.6
112.07624	9.5
113.06018	9.4
113.07124	4.6
114.05529	4.3
116.07111	8.0
117.07431	1.0
122.06039	14.3
123.04444	22.4
140.07082	100.0
141.05481	29.9
141.07289	1.6
145.93947	1.0
158.08148	37.9
158.09454	2.2
159.06555	12.6
159.07669	2.1
160.39453	0.9
176.09206	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00024	0.7
53.03944	1.8
55.05516	5.5
57.07093	1.2
59.06301	0.8
62.60859	0.8
65.03967	1.0
67.05513	6.9
69.07074	8.9
70.12471	3.0
79.05495	8.3
81.07065	31.6
81.11987	0.7
81.51630	0.8
83.08613	2.1
91.05485	23.7
93.07057	12.3
95.04962	1.9
95.08615	22.5
97.02917	1.2
98.06064	1.9
98.98481	13.9
105.07042	49.0
107.08600	11.5
109.10172	1.8
114.05476	0.8
115.05450	0.8
117.07020	4.8
119.08592	100.0
120.08871	1.7
121.10153	1.8
123.04385	1.0
131.08600	6.4
133.10146	58.3
134.10458	0.9
140.07068	4.2
145.10135	2.9
146.10896	2.1
147.11703	18.2
157.10130	0.9
158.08194	1.9
160.12520	1.9
173.13226	1.3
175.11209	2.8
175.14845	73.4
176.09207	2.2
176.15147	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03938	1.6
55.01873	1.6
55.05513	6.2
60.05643	1.6
65.03944	1.1
67.05505	11.0
69.03432	1.8
69.07067	8.4
70.06601	5.8
71.01375	0.8
71.04971	0.8
77.03241	0.8
77.03977	0.8
77.50463	0.6
79.05495	10.8
80.05035	0.8
81.03439	1.1
81.07060	36.5
82.07417	1.0
83.08615	2.6
91.05488	24.3
93.07047	13.3
94.06573	2.6
95.04987	5.3
95.08611	28.1
97.02894	7.5
98.06057	9.4
98.98468	46.9
103.05470	2.1
105.07035	56.7
106.07337	0.9
107.08609	11.8
109.10153	1.9
111.04443	1.8
112.07619	1.5
114.05519	1.4
115.03960	1.2
115.05408	1.0
116.07100	2.2
117.07049	4.8
119.08587	100.0
120.08927	1.2
120.64356	0.7
121.10190	1.8
122.06021	2.3
123.04444	2.4
127.03905	0.8
129.06993	2.0
131.08578	7.6
132.09372	2.0
132.95844	3.1
133.10136	58.8
140.07060	10.2
141.05489	2.7
142.07768	1.6
145.10135	3.1
146.10890	1.5
147.04442	0.8
147.08072	1.6
147.11693	20.5
150.96861	0.9
157.10107	1.6
158.08133	8.6
160.12531	1.8
173.13246	1.0
174.93304	1.1
175.07603	3.1
175.11273	6.1
175.14835	89.9
176.09213	10.1
176.10602	1.4
176.15228	2.2
181.96724	0.9
192.94334	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	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03950	0.9
55.05515	7.0
67.05506	10.0
69.07076	9.2
69.48443	1.8
69.48850	3.6
70.06599	2.0
71.10593	0.7
75.28930	0.7
79.05497	9.4
81.03434	0.8
81.07061	32.5
83.08611	3.0
84.04494	1.0
91.05486	23.7
93.07050	9.8
94.06547	1.8
95.04973	4.3
95.08619	18.2
95.09076	0.5
97.02905	6.6
98.06071	7.9
98.21537	1.2
98.98470	21.0
103.05465	1.6
105.07035	50.5
107.08604	13.8
109.10188	1.1
111.04445	1.7
115.05518	0.8
116.07093	2.3
117.07034	5.5
117.07725	0.9
119.08586	100.0
120.08930	2.0
121.10153	2.9
122.06085	1.0
123.04438	2.0
131.08577	6.6
132.09335	1.7
133.06566	0.9
133.10141	58.0
140.07071	9.0
141.05469	2.5
142.07825	1.3
145.10168	4.6
146.10876	2.5
147.11694	18.3
157.04343	0.9
157.10126	1.0
158.08138	8.9
160.12413	2.2
173.13268	1.5
175.07608	1.2
175.09802	1.6
175.11337	5.3
175.14833	85.6
176.09213	11.2
176.10657	0.6
176.15187	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03963	0.7
55.05511	6.8
57.07063	0.9
57.39428	0.7
59.16334	0.7
59.95900	0.8
65.03928	1.1
67.05509	6.3
69.07075	9.1
71.39304	1.0
71.39823	0.7
79.05493	7.2
81.07062	30.6
83.05052	0.7
83.08641	2.0
88.96574	0.8
91.05484	21.1
93.07047	11.7
95.04986	2.2
95.08615	22.2
97.02901	1.8
98.06061	1.1
98.98476	14.1
103.05486	1.8
105.07041	53.9
106.07384	0.8
107.08609	12.2
109.10162	1.9
115.05465	1.5
117.07037	5.5
119.08589	100.0
120.08931	1.8
121.10146	1.3
129.07001	1.3
131.08586	7.0
132.09338	1.3
133.06505	1.1
133.10141	56.9
134.10460	1.3
140.07068	2.2
142.07803	1.8
145.10110	4.3
146.10866	1.6
147.08076	1.1
147.11700	21.0
157.10205	2.2
158.08112	1.0
160.08817	1.1
160.12491	1.8
173.13300	1.0
175.07605	2.3
175.11275	7.6
175.14844	73.8
176.09146	1.3
176.15053	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	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
50.75732	0.8
53.03941	1.3
55.01878	1.9
55.05316	0.7
55.05515	8.3
56.05037	1.2
61.13687	0.8
67.05190	0.9
67.05514	10.9
69.03426	1.6
69.07074	12.5
69.28786	0.9
70.06578	3.1
71.51349	1.1
79.05492	9.5
80.04989	1.4
81.07063	46.5
83.08608	2.6
85.02890	1.0
87.04479	0.9
91.05484	21.3
93.07050	14.8
94.06556	3.0
95.04967	8.0
95.08614	31.8
96.08882	0.9
97.02907	9.1
98.06067	14.1
98.98476	28.7
98.99131	1.4
103.05467	1.8
105.04501	1.0
105.07039	52.0
106.07372	1.3
107.08598	17.3
109.10143	1.0
111.04436	1.7
112.03979	0.9
112.07588	1.6
113.06053	1.2
114.05511	2.7
116.07085	3.7
117.07011	5.5
118.07830	1.1
119.08589	100.0
120.08878	1.9
121.10143	1.5
122.06030	2.2
123.04457	2.5
129.06961	1.2
130.06512	1.2
131.08565	7.1
132.09361	1.8
133.10143	62.3
134.10483	1.6
140.07074	14.2
141.05493	4.1
145.10109	7.4
146.10960	4.0
147.11691	18.7
157.10040	1.4
158.08133	11.9
159.06577	0.9
160.12495	3.5
173.13237	2.0
175.07611	1.2
175.11220	4.4
175.14839	89.7
176.07028	0.9
176.09212	14.0
176.15182	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	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03962	0.5
55.01863	0.6
55.05515	5.9
57.03455	0.6
57.07067	0.7
67.05511	3.5
68.05051	0.5
69.07074	11.8
70.06595	1.3
79.05496	4.3
81.03440	0.6
81.07059	7.6
83.08622	2.1
91.05488	11.5
93.07060	3.7
94.06572	1.5
95.04982	4.0
95.08619	5.4
96.04472	0.7
97.02901	4.4
98.06064	8.2
98.98479	19.7
103.05447	1.0
105.07037	27.1
107.08604	5.2
111.04444	0.7
112.03940	0.6
112.07642	0.6
114.05527	1.1
115.03969	0.7
115.60207	0.5
116.07055	2.3
117.07027	4.0
119.08591	68.8
120.08865	0.7
121.10134	1.6
122.06041	1.1
123.04427	1.3
129.07022	1.3
130.07660	0.4
131.08583	4.7
132.09346	0.6
133.10141	66.3
134.10587	0.9
138.58424	0.5
140.07082	7.8
141.05486	2.1
142.07793	1.5
144.09328	1.3
145.10132	13.0
146.10789	0.6
147.11696	28.9
148.12025	0.7
157.04269	0.6
157.10135	2.5
158.08147	7.4
159.11729	5.0
160.08936	0.7
160.12495	8.5
161.13222	1.2
173.13266	1.5
175.11432	3.8
175.14836	100.0
176.07008	0.5
176.07658	0.7
176.09190	8.8
176.15147	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	175.1484
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03946	1.4
55.01871	1.0
55.05515	9.7
56.55668	0.5
56.94313	2.1
57.07079	1.0
60.05648	2.6
65.03936	0.7
66.55053	0.5
67.05512	6.9
69.03442	1.0
69.07073	21.7
70.06598	8.4
70.84567	1.1
70.84903	0.7
72.93781	1.3
74.95373	0.9
79.05499	6.0
80.05042	0.4
81.03429	0.6
81.07061	10.9
83.08633	4.8
86.95349	2.0
90.94834	1.4
91.05487	19.4
93.07050	6.5
94.06586	1.4
95.04996	3.5
95.08054	0.9
95.08617	9.0
96.04514	0.9
97.02895	5.5
98.06068	2.7
98.98476	25.2
98.99134	1.2
102.94823	1.6
103.05487	1.8
104.06284	1.0
104.96369	1.5
105.07040	41.0
106.07372	0.9
107.04958	0.7
107.08611	9.1
109.10139	0.6
111.04486	0.9
112.03980	1.5
112.07616	1.1
113.05987	0.7
113.07152	1.0
115.03938	0.7
115.05482	2.5
116.06345	0.7
116.07058	2.5
117.07030	5.1
119.08591	100.0
120.08944	1.7
120.95898	0.5
121.06544	0.5
121.10139	3.1
122.06006	1.0
123.04462	1.9
127.03895	0.9
128.06226	1.2
129.07022	2.9
130.06541	2.2
130.09766	0.7
131.08578	7.9
132.05742	1.8
132.09351	0.8
132.95847	12.5
133.06477	1.5
133.10143	86.2
134.10512	1.6
135.11728	0.7
140.07074	7.1
141.05525	2.3
142.07797	1.6
145.06471	1.3
145.10133	8.5
146.10902	1.8
147.04463	1.0
147.08052	3.4
147.09157	0.7
147.11697	15.2
147.12814	1.0
148.11932	0.6
150.96925	3.3
157.10150	3.2
158.06012	0.7
158.08131	2.8
158.09262	0.6
159.11679	0.9
160.05246	2.7
160.08879	2.0
160.12491	4.1
173.13301	2.6
174.96956	0.8
175.03810	0.8
175.07542	6.3
175.11197	10.9
175.14838	89.1
176.06992	0.8
176.09203	3.6
176.15190	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	175.1484
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03960	1.9
55.01894	2.3
55.05511	13.8
56.05054	0.8
57.07085	1.5
60.05644	6.1
63.70412	0.7
65.03941	1.6
67.05507	9.8
68.05057	1.0
69.03441	1.8
69.07074	16.1
69.07421	1.3
69.58716	1.3
69.59122	3.7
70.06595	22.6
70.06953	1.4
71.04994	0.9
72.08169	1.6
72.93815	0.8
77.41770	0.8
79.05499	7.0
81.03429	2.4
81.07058	19.4
81.07521	1.2
83.08658	2.5
84.08102	0.9
85.02917	1.1
86.06044	0.7
86.09720	1.0
86.94515	0.7
87.04449	0.8
87.10086	1.1
91.05484	29.7
93.07049	9.1
94.06567	4.4
95.04964	8.1
95.08608	12.8
96.04501	1.0
97.02909	9.7
98.06057	4.3
98.98470	55.7
99.68743	0.7
103.05492	2.2
104.06280	0.9
104.18996	0.7
105.07037	64.6
107.04939	0.8
107.08588	10.8
109.10144	1.2
110.06078	0.8
111.04440	1.9
112.03966	2.0
112.07581	1.2
113.07153	1.8
113.59774	0.7
114.05553	1.1
115.03938	1.3
115.05465	11.0
116.06324	1.4
116.07061	5.4
117.07032	7.8
118.06569	1.2
119.04933	1.4
119.08588	100.0
120.08140	1.1
120.08865	1.6
121.06487	1.5
121.10149	2.4
122.06043	2.3
123.04447	3.8
124.28443	0.8
128.06227	1.4
129.06995	6.4
130.06538	6.2
130.09781	2.0
131.04918	1.4
131.08572	16.1
132.04630	1.1
132.05713	2.5
132.09369	1.6
132.95842	2.7
133.06458	2.3
133.10136	79.2
134.10449	2.4
135.08063	1.2
139.03842	1.1
140.07072	16.9
141.05447	3.9
141.06999	1.2
142.07787	7.2
143.04912	2.8
144.05693	2.6
145.06505	4.4
145.10165	6.8
146.07233	1.0
146.10930	4.2
147.04506	1.5
147.06310	2.0
147.08064	4.5
147.11699	25.8
155.06041	0.8
157.06474	0.8
157.10106	7.7
158.05983	2.4
158.08119	6.4
159.06471	0.9
159.07674	1.0
160.05211	17.8
160.08839	16.7
160.12471	1.8
173.13278	1.4
175.03897	1.5
175.06082	1.0
175.07532	21.4
175.11160	41.6
175.14833	95.0
176.06984	1.8
176.09215	7.8
176.11530	1.2
176.15132	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	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
52.00843	0.8
52.01094	0.7
53.03941	1.4
55.05513	5.8
55.76881	0.8
65.03944	0.9
67.05510	6.6
69.07081	7.0
69.17193	2.2
69.17599	5.4
79.05500	6.8
81.07062	33.3
82.07408	0.9
82.98647	0.7
83.08623	2.4
91.05486	21.3
93.07056	11.8
95.08615	23.3
98.21534	1.8
98.98440	1.0
103.05465	1.5
105.07037	51.9
106.07378	0.8
107.08609	11.2
109.10171	2.3
117.07027	4.0
119.08589	100.0
120.08873	1.6
121.10156	1.0
131.08585	6.5
132.09419	0.9
133.10141	52.9
134.10408	1.8
145.10162	3.7
146.10863	2.7
147.11694	20.2
151.36411	0.7
160.12534	1.8
175.14833	75.0
176.10608	0.9
176.15245	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	175.1119
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.03938	0.9
55.01862	1.8
55.05511	3.0
60.04525	0.3
60.05637	1.8
61.01149	0.7
61.74046	0.4
62.99098	0.4
65.03937	1.1
65.44830	0.3
67.05511	3.3
68.05016	0.5
69.03418	2.1
69.07074	4.3
70.06593	8.3
71.01373	0.4
71.04995	0.7
71.32644	0.6
71.32986	0.5
72.93782	0.4
73.02914	0.4
78.35131	0.4
79.05502	3.5
81.03423	1.0
81.07056	2.9
83.04985	1.3
83.08616	0.7
85.01123	1.3
87.02685	1.7
90.94807	0.5
91.05482	12.6
93.07072	2.5
94.06565	1.4
95.04972	4.1
95.08628	2.0
96.04485	2.6
97.02903	5.8
98.06063	3.6
98.98471	31.4
103.02180	0.7
103.05460	0.8
104.06225	1.3
105.03438	0.5
105.07032	19.0
107.04950	1.0
107.08592	3.9
109.06517	0.4
111.04449	0.5
112.02201	1.7
112.03949	0.7
112.07629	0.8
113.06035	0.4
113.07130	0.5
114.05512	0.5
115.05441	3.7
116.06326	0.5
116.07066	2.1
116.97217	0.5
116.99495	0.6
117.07034	3.5
118.06557	2.3
119.04945	1.0
119.08587	40.6
120.08099	0.5
120.08891	0.5
121.06480	2.6
122.06007	1.0
123.04433	1.5
127.03967	0.7
128.06233	0.8
129.06992	3.6
130.06535	6.3
130.09756	1.0
130.21213	0.4
131.04926	1.1
131.08571	5.6
132.05728	2.9
132.09343	0.7
132.95830	1.7
133.06526	2.8
133.10136	20.3
134.10609	0.4
135.08058	4.7
140.07069	7.2
141.05492	2.1
141.06976	0.6
142.07793	6.0
143.04927	0.6
145.06490	12.2
145.07657	0.6
145.10159	2.6
146.07295	1.8
147.04385	0.6
147.08064	5.3
147.11690	16.8
148.12051	0.6
157.10143	7.2
158.06017	1.5
158.08170	3.8
158.09308	0.6
159.06599	0.8
159.08032	2.9
160.05244	3.7
160.08842	39.9
161.09164	0.9
173.09615	0.7
175.07600	7.5
175.11189	100.0
175.14792	20.4
176.02037	1.0
176.07024	1.1
176.09222	4.5
176.11548	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	175.0756
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
52.21064	0.9
53.03949	1.2
54.82559	0.8
55.01862	3.2
55.05496	3.9
56.05016	1.2
56.94302	4.1
57.03444	1.1
60.05653	6.1
65.03913	0.9
67.05510	6.6
69.03421	3.8
69.07057	4.2
70.06596	18.9
70.19350	3.8
71.01363	1.1
71.05009	1.5
72.08140	1.4
72.93776	2.7
74.95336	1.6
77.03924	1.0
78.04708	3.7
79.05505	8.4
80.05000	1.0
81.03401	3.4
81.07052	6.2
83.08649	1.2
84.04472	1.2
84.08147	1.0
85.02901	1.4
86.95335	2.6
90.94819	2.6
91.05486	66.1
92.05836	1.0
93.07030	5.0
94.06548	3.6
95.04981	10.3
95.08621	5.0
97.02887	13.6
98.06073	7.3
98.98471	57.0
102.94807	2.1
103.05474	8.1
104.06258	20.2
104.96384	2.6
105.03399	2.5
105.07045	21.4
107.04960	13.2
107.08596	3.5
110.06036	1.0
111.04449	2.8
112.03963	1.6
112.07590	2.0
113.07129	2.4
114.05505	1.5
115.05460	43.7
116.06244	2.9
116.07096	6.5
117.07026	31.0
118.06565	1.9
119.04926	2.0
119.08587	82.9
120.08073	1.5
120.08909	2.3
121.06487	2.1
122.06037	3.1
123.04424	4.1
124.43909	0.9
127.03903	2.0
127.05428	1.3
128.06239	23.2
129.07011	22.7
130.06538	4.7
130.09779	1.8
131.04944	9.8
131.08566	5.2
132.05717	70.3
132.95848	22.1
133.06117	1.4
133.10132	20.5
136.06204	1.3
140.07089	18.3
141.05486	4.9
142.07736	4.3
143.04951	5.9
145.06480	8.2
145.10094	2.2
146.06061	2.1
146.07248	3.2
147.04411	1.9
147.08060	54.6
147.11697	8.6
150.96922	5.9
155.06026	4.9
157.06532	1.6
157.07675	1.4
157.10123	4.5
158.06013	2.7
158.08127	7.8
159.06512	1.2
159.07762	1.0
160.05211	50.1
160.08801	7.2
160.12469	1.2
161.05612	1.8
175.07558	100.0
175.11111	30.6
175.14819	23.0
176.06778	1.1
176.08000	1.8
176.09210	9.4
176.11546	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1492
Annotation	9-Aminononanoic acid
Peak:m/z	Relative Intensity
53.03953	1.4
55.01871	5.0
55.05514	21.0
56.05049	2.3
56.05851	0.8
57.03442	1.5
57.07078	3.2
59.05005	2.1
59.73319	0.5
60.04536	0.7
60.05656	1.2
60.09678	0.5
61.02948	0.6
67.05504	6.6
69.03444	1.2
69.07070	36.8
70.06604	3.8
70.95866	3.1
71.04993	1.7
71.31911	0.9
72.08164	1.7
72.24979	0.6
72.93784	4.8
73.06551	1.9
73.93847	0.5
79.05495	8.0
81.07059	6.9
82.06587	1.6
83.04982	5.5
83.08626	1.5
84.08163	1.8
85.02925	0.7
86.06084	1.0
87.04470	0.8
88.92113	0.4
89.07449	0.5
90.94814	2.9
91.05464	2.8
93.07047	16.4
95.04968	3.6
95.08607	11.1
96.04520	0.9
97.02911	1.7
97.06540	6.7
97.10170	14.4
98.10580	0.5
98.98476	5.1
100.07576	1.1
101.06030	1.4
105.07032	2.0
110.06020	3.5
111.04451	1.2
111.11736	2.1
111.98487	2.3
112.04826	0.8
114.05516	0.8
115.11187	0.7
117.07072	0.8
118.06559	1.6
119.08583	2.0
121.10150	10.1
122.59035	0.6
124.38480	0.5
128.05005	1.8
128.07077	1.7
129.99562	0.6
130.06516	1.9
130.07423	0.8
130.08530	0.5
131.08556	1.1
132.08032	0.7
132.08917	1.2
132.95856	10.4
133.10144	1.4
138.05525	2.6
138.12759	2.9
139.11176	4.7
144.08052	0.6
146.06027	7.2
146.08044	0.7
146.10498	0.8
147.04417	0.7
149.96126	1.3
150.96918	7.1
155.97433	1.5
156.06497	5.7
156.13844	100.0
157.14203	1.3
160.05228	1.2
167.97182	0.6
173.98468	1.3
174.05522	4.0
174.07614	9.2
174.09044	0.9
174.11299	1.1
174.12741	1.6
174.13628	1.3
174.14905	23.7
175.07504	1.8
175.11121	0.7
175.14973	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	173.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01865	0.5
55.05513	8.7
57.07078	1.3
59.05009	1.2
67.05517	3.6
69.07095	0.7
70.06595	0.5
71.04991	1.1
71.50188	0.4
71.50636	0.6
72.93797	3.2
76.02240	0.5
79.05498	3.3
81.07063	4.1
83.04987	8.4
87.04493	0.9
89.02413	0.5
90.90397	1.2
90.94828	2.9
91.05489	16.0
93.07066	2.4
94.57253	0.4
95.08633	1.4
98.98481	1.7
99.04467	1.0
99.08147	0.8
101.06023	4.7
103.03291	0.8
105.07036	16.6
107.08579	1.0
111.04448	10.3
113.96414	1.0
115.05486	1.9
116.06251	2.0
117.07026	19.2
118.06593	0.8
118.07381	0.5
119.08598	6.3
127.07523	1.0
128.06242	1.1
128.15685	0.5
129.05495	1.7
129.07013	6.4
130.07799	2.6
131.08580	100.0
132.08946	2.0
133.10162	0.7
133.43570	0.6
143.08585	4.3
144.09395	3.6
145.06491	0.8
145.10133	23.3
146.06026	0.6
146.10468	0.8
149.96158	1.1
155.07047	6.2
155.08449	1.2
158.07288	1.5
158.10968	3.9
167.97148	0.8
171.11743	1.9
173.04572	1.0
173.05881	0.6
173.08179	7.8
173.09689	2.6
173.13274	65.4
174.13626	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	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03951	0.6
55.01880	0.7
55.05521	7.2
57.07085	1.5
58.39388	0.6
59.05003	1.0
65.03943	0.8
67.05508	4.3
72.93796	2.8
77.03919	0.4
79.05501	4.0
81.03469	0.4
81.07055	3.4
82.06612	0.4
83.04989	7.5
86.06089	0.6
86.32735	0.4
87.04492	0.6
89.02406	0.8
90.94867	1.5
91.05490	18.3
93.07067	3.0
95.04968	1.1
95.08617	1.2
100.42539	0.4
101.06023	5.1
103.03313	1.3
103.05466	0.8
104.31313	0.4
105.07040	14.7
107.04996	0.6
107.08601	1.2
108.95887	0.6
110.06077	0.7
111.04449	8.2
113.06012	0.7
113.96445	0.7
115.05456	2.5
116.06271	2.2
116.06992	0.5
117.07029	15.4
118.06608	0.7
119.08594	8.8
127.07498	0.6
127.09505	1.3
128.06229	1.6
128.07069	0.5
129.05516	1.9
129.07016	9.6
130.07794	3.2
131.08580	100.0
132.08928	1.7
133.10155	1.3
138.23367	0.4
139.63084	0.4
142.07817	0.7
143.08578	11.6
144.09372	5.7
145.06499	0.8
145.07657	0.8
145.10136	26.5
149.96057	0.7
155.07079	5.4
155.08389	0.9
156.06546	1.1
156.09322	0.9
157.10103	0.6
158.07286	1.5
158.10928	12.7
171.11717	2.1
173.04625	0.7
173.05943	0.7
173.08238	7.1
173.09740	3.6
173.13278	78.5
174.07642	1.6
174.13596	2.0
190.94550	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
54.37120	0.5
55.01882	1.1
55.05513	6.9
56.96565	1.4
57.07078	1.1
59.05000	1.3
67.05505	2.9
68.24411	0.6
70.59834	1.2
70.60227	1.2
70.98126	1.1
72.93797	6.6
79.05498	2.7
81.07062	3.6
83.04987	7.1
87.04476	0.6
88.07607	1.2
89.86616	0.6
90.90386	2.4
90.94827	5.2
91.05486	12.6
93.07043	1.2
95.04967	1.1
101.06024	5.2
102.09179	0.6
103.03305	1.0
103.05506	1.0
103.74767	0.5
105.07039	12.7
108.95871	0.7
111.04459	8.3
111.08089	0.8
111.23878	0.6
113.96414	0.6
115.05418	2.6
116.06242	2.6
117.07028	8.7
119.08591	13.9
121.42583	0.6
127.07603	1.2
127.09519	0.9
128.04849	0.5
128.06241	2.3
129.05463	1.8
129.07002	10.4
130.07828	3.6
131.08574	90.3
131.92984	1.4
132.08897	1.8
133.10123	2.7
138.05521	0.5
141.05728	0.7
142.07761	1.5
143.08566	26.5
144.09348	8.0
145.06514	1.3
145.10126	30.9
149.94032	1.5
149.96129	2.7
150.06235	1.9
155.07050	4.9
155.08180	0.8
156.06544	0.8
156.09378	1.3
157.10094	1.8
158.07356	1.5
158.10922	39.9
159.11566	2.1
167.97130	1.3
171.11702	2.7
172.93420	0.8
173.08212	6.6
173.09671	5.5
173.13269	100.0
173.17305	5.6
174.07645	1.9
174.13635	2.2
190.94557	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.1
55.01890	0.9
55.05513	14.0
57.07077	1.8
59.05000	2.7
61.40606	0.6
67.05502	4.3
69.07056	0.8
70.06619	0.6
71.51062	0.5
72.93788	6.0
76.02230	1.1
79.05495	4.3
81.07068	3.5
83.04986	13.9
85.02956	0.6
87.04472	0.8
89.02394	1.0
90.90413	1.9
90.94831	5.2
91.05484	17.7
91.38227	0.6
93.07052	2.7
95.04967	1.2
95.08595	1.1
96.04485	0.7
98.98495	1.3
99.98251	0.6
101.06020	9.8
103.03305	2.5
103.05497	0.7
105.07043	12.1
106.50428	0.7
107.08569	1.0
108.95837	0.9
111.04443	14.8
113.06020	1.3
113.96391	1.3
114.05541	1.2
115.05472	2.5
116.06229	3.7
117.07023	18.1
118.06560	1.6
119.08584	8.4
119.87436	0.6
127.07548	1.3
127.09503	2.7
128.06273	1.1
129.05519	4.5
129.07004	9.1
130.06741	0.8
130.07787	5.6
131.08575	100.0
132.08057	1.0
132.08942	2.0
133.10143	1.8
138.05524	1.1
143.08572	11.2
144.09323	5.2
145.06471	1.8
145.07599	1.3
145.10127	27.5
146.06046	1.4
149.94078	0.9
149.96169	1.8
155.05943	1.0
155.07059	10.1
155.08319	1.1
156.06590	1.7
158.06145	0.8
158.07304	1.8
158.09700	1.0
158.10918	13.7
167.97179	1.4
171.11714	1.5
172.93674	0.8
173.04584	1.4
173.05914	1.1
173.08206	11.4
173.09697	5.6
173.13272	83.6
174.07619	2.5
174.12556	1.4
174.13829	1.0
190.94533	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
51.02369	0.8
53.03952	0.8
55.05518	5.0
57.19920	0.7
59.05021	0.7
62.14039	0.7
67.05498	2.3
69.48370	3.5
69.48784	1.3
72.93787	2.9
79.05508	2.1
81.07053	4.0
83.04980	5.2
88.52804	0.6
90.94843	2.4
91.05495	11.2
93.07047	1.5
101.06023	3.3
103.05453	1.0
105.07040	14.5
111.04460	5.8
111.87250	0.7
115.05475	2.7
116.06239	4.2
117.07031	7.6
119.08582	11.5
128.06184	1.3
129.05507	1.0
129.07024	10.1
130.07785	2.8
131.08578	91.5
132.08907	1.8
133.10077	2.0
142.07806	0.9
143.08569	20.8
144.09355	9.1
145.06438	0.9
145.10139	30.9
145.81010	0.8
149.96068	1.0
155.07088	3.2
155.08594	0.7
156.09413	1.3
157.10083	1.5
158.10921	29.0
159.03749	0.7
159.11313	1.1
171.11703	2.2
173.02354	1.4
173.04453	0.8
173.08253	4.6
173.13278	100.0
174.13579	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	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
55.05522	5.6
57.07062	0.7
59.04998	1.1
59.95580	0.6
67.05515	2.9
70.94788	1.0
70.95127	1.0
72.93787	1.6
78.06698	0.6
79.05486	2.4
81.07059	8.8
83.04984	5.0
90.94823	1.3
91.05484	13.7
93.07052	5.9
93.38736	0.6
95.04971	1.0
96.17120	0.5
100.78627	0.6
101.06028	3.1
103.05494	1.0
105.07038	11.9
107.08607	0.7
111.04444	5.1
115.05439	2.3
116.06238	2.9
117.07034	13.4
119.08589	15.1
126.77184	0.6
127.97701	0.6
128.06186	1.8
129.05493	1.2
129.07016	13.0
130.07802	4.0
131.08575	63.9
132.08900	0.9
133.10129	2.0
142.07747	0.6
143.08575	18.7
143.09700	0.9
144.09367	9.5
145.06396	0.7
145.10133	32.4
146.10487	0.7
149.96086	0.6
155.07086	3.0
156.09302	1.1
157.10144	1.7
158.10925	22.8
159.11409	0.6
171.11723	1.8
173.08330	4.2
173.13277	100.0
174.07573	0.7
174.13568	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	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
52.38914	0.5
53.03927	0.6
55.01863	1.8
55.05515	17.8
55.93504	0.5
56.05830	0.6
57.03426	1.9
59.04988	2.2
60.04514	2.0
65.03939	1.2
67.05513	5.1
69.07071	1.3
69.87326	0.5
70.06586	2.6
70.19588	2.4
71.04948	0.6
71.08641	4.3
72.08144	1.0
72.93794	8.6
79.05494	1.8
81.03387	0.7
81.07049	1.8
82.06581	0.7
83.04990	12.9
83.08581	0.7
84.08120	1.8
85.06554	0.7
86.09717	3.5
87.04465	1.3
87.05579	2.5
87.93845	0.5
89.02401	1.1
89.06049	0.8
90.90383	1.2
90.94837	7.8
91.05482	10.1
93.07037	1.3
95.05005	0.9
98.08279	0.5
98.20798	0.6
98.97582	2.1
98.98405	0.5
99.04449	1.2
99.08067	1.8
100.97198	0.9
101.06024	10.0
102.96876	2.4
103.03281	1.0
103.05466	0.6
105.07043	7.2
107.04938	2.0
108.95875	1.3
110.06044	0.8
111.04449	17.8
113.05995	1.5
113.96406	1.3
114.05543	0.6
115.05473	2.4
116.06206	2.0
116.98627	0.6
117.07021	6.5
117.09128	1.0
118.06549	2.0
118.07283	0.6
119.07813	1.1
119.08594	13.7
120.97908	0.5
127.07544	1.9
128.06209	1.4
128.10727	3.7
129.05537	3.0
129.07008	6.8
130.07835	3.3
131.04924	1.7
131.08578	46.2
132.95839	1.0
133.10138	3.1
141.06990	0.8
142.07722	0.7
143.08574	20.3
144.09363	6.3
145.06494	3.7
145.07635	1.6
145.10132	24.3
146.05998	2.2
149.96098	2.1
149.97200	1.2
150.96880	0.9
155.05959	1.0
155.07037	10.6
155.08546	3.0
156.06580	1.6
156.09276	1.2
157.10182	1.0
158.07341	2.9
158.10921	35.0
162.99001	0.8
167.97232	1.1
171.11659	1.9
173.02376	1.2
173.04675	0.8
173.05957	1.7
173.08147	12.4
173.09650	10.7
173.13271	100.0
174.05525	0.8
174.07629	2.1
174.13710	2.9
184.82423	0.6
190.18285	0.5
192.57042	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
51.05846	0.5
52.35075	0.5
53.03949	0.8
54.78820	0.6
55.05270	0.8
55.05515	9.8
56.96553	1.7
57.07061	1.0
59.04984	1.7
65.94516	0.6
67.05497	3.5
69.03413	0.7
70.30801	1.6
72.93803	4.7
76.02240	0.8
79.05476	2.8
81.07039	4.2
83.04984	9.1
83.83112	0.6
87.04505	0.8
90.90358	0.8
90.94840	3.8
91.05490	12.2
91.90242	0.6
93.07059	2.9
95.04988	0.8
95.08620	0.9
98.97585	0.9
101.06030	6.3
103.03294	1.3
103.05518	0.7
105.07034	11.1
109.10195	0.8
111.04447	9.5
112.99131	1.7
113.06014	1.3
114.05537	0.7
115.05454	2.6
116.06237	3.2
117.07022	10.5
119.08582	13.2
127.07603	0.9
127.09492	1.3
128.06209	2.3
128.07062	0.8
129.05479	2.1
129.06995	10.2
130.07805	3.9
131.00168	1.1
131.08569	79.8
132.08932	1.2
133.10139	2.2
142.07727	1.5
143.08560	21.2
144.09355	8.3
145.06448	1.2
145.10129	33.3
149.01224	1.1
149.96153	0.9
153.06871	0.8
155.07039	6.1
155.08380	1.0
156.06552	1.1
156.09351	1.4
157.10120	1.1
158.07289	2.3
158.10916	29.7
171.11674	2.0
173.08211	8.3
173.09654	9.4
173.13266	100.0
174.07671	1.9
174.13615	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	173.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.4
55.01887	2.6
55.05517	42.5
55.30723	0.9
55.93513	1.9
56.05026	0.9
57.03436	3.2
57.07066	4.9
57.97778	1.2
59.04766	1.1
59.05011	15.5
59.90657	1.1
60.27046	1.0
65.03943	2.0
67.05512	100.0
69.03417	2.0
69.07062	2.7
70.06604	1.7
71.04993	2.7
71.06126	1.2
71.49445	1.9
72.93414	1.8
72.93797	30.4
75.43832	1.0
75.84869	1.0
76.02231	2.6
76.49383	1.1
78.17937	1.1
79.05485	4.2
81.07065	18.9
83.04988	33.1
83.08627	6.6
84.04479	1.4
84.08154	1.9
85.06528	3.6
86.06091	1.2
87.04471	2.6
89.02396	3.5
89.94027	1.8
90.90381	8.5
90.94276	2.2
90.94833	29.6
91.04987	1.5
91.05495	21.0
93.07062	5.8
95.04964	3.3
95.08603	4.7
96.12402	1.2
99.04467	2.1
101.06033	23.6
103.03282	5.1
103.05466	2.2
105.07044	19.6
107.08586	2.6
108.95877	6.1
109.10166	64.9
110.06068	2.0
111.04453	38.5
111.05215	2.2
111.08104	1.2
113.02267	1.1
113.06017	4.6
113.96375	6.4
114.05555	1.8
115.05387	5.3
116.06242	4.0
117.07030	20.5
118.06557	2.8
119.08604	16.8
127.07544	4.4
127.09475	3.8
128.06229	2.1
128.07109	1.5
129.05498	10.8
129.07004	14.8
130.06522	2.9
130.07796	6.8
131.00188	1.3
131.04997	1.2
131.08580	86.0
131.93016	2.3
131.97488	1.8
132.08017	1.5
133.10150	2.0
143.08583	23.2
144.09348	8.4
145.06514	3.3
145.07622	2.4
145.10138	41.9
146.06012	3.0
149.94064	5.1
149.96114	8.6
155.05994	1.9
155.07079	22.5
155.08553	3.7
156.06567	4.0
156.09283	1.8
157.10211	1.3
158.07281	4.8
158.10925	28.5
166.74138	1.2
167.97191	8.6
171.11711	2.2
173.04442	3.7
173.05826	2.0
173.06839	1.5
173.08177	33.1
173.09665	15.7
173.11960	3.7
173.13269	98.7
174.05495	1.7
174.07675	6.3
174.12579	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	173.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.4
55.01887	2.6
55.05517	42.5
55.30723	0.9
55.93513	1.9
56.05026	0.9
57.03436	3.2
57.07066	4.9
57.97778	1.2
59.04766	1.1
59.05011	15.5
59.90657	1.1
60.27046	1.0
65.03943	2.0
67.05512	100.0
69.03417	2.0
69.07062	2.7
70.06604	1.7
71.04993	2.7
71.06126	1.2
71.49445	1.9
72.93414	1.8
72.93797	30.4
75.43832	1.0
75.84869	1.0
76.02231	2.6
76.49383	1.1
78.17937	1.1
79.05485	4.2
81.07065	18.9
83.04988	33.1
83.08627	6.6
84.04479	1.4
84.08154	1.9
85.06528	3.6
86.06091	1.2
87.04471	2.6
89.02396	3.5
89.94027	1.8
90.90381	8.5
90.94276	2.2
90.94833	29.6
91.04987	1.5
91.05495	21.0
93.07062	5.8
95.04964	3.3
95.08603	4.7
96.12402	1.2
99.04467	2.1
101.06033	23.6
103.03282	5.1
103.05466	2.2
105.07044	19.6
107.08586	2.6
108.95877	6.1
109.10166	64.9
110.06068	2.0
111.04453	38.5
111.05215	2.2
111.08104	1.2
113.02267	1.1
113.06017	4.6
113.96375	6.4
114.05555	1.8
115.05387	5.3
116.06242	4.0
117.07030	20.5
118.06557	2.8
119.08604	16.8
127.07544	4.4
127.09475	3.8
128.06229	2.1
128.07109	1.5
129.05498	10.8
129.07004	14.8
130.06522	2.9
130.07796	6.8
131.00188	1.3
131.04997	1.2
131.08580	86.0
131.93016	2.3
131.97488	1.8
132.08017	1.5
133.10150	2.0
143.08583	23.2
144.09348	8.4
145.06514	3.3
145.07622	2.4
145.10138	41.9
146.06012	3.0
149.94064	5.1
149.96114	8.6
155.05994	1.9
155.07079	22.5
155.08553	3.7
156.06567	4.0
156.09283	1.8
157.10211	1.3
158.07281	4.8
158.10925	28.5
166.74138	1.2
167.97191	8.6
171.11711	2.2
173.04442	3.7
173.05826	2.0
173.06839	1.5
173.08177	33.1
173.09665	15.7
173.11960	3.7
173.13269	98.7
174.05495	1.7
174.07675	6.3
174.12579	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	173.1174
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
53.03940	1.1
55.01855	1.3
55.05516	26.6
57.03436	2.3
57.07058	3.2
59.05006	7.7
61.52182	1.0
65.03922	1.5
67.05511	77.8
69.03426	0.9
69.07056	1.9
69.91962	3.1
71.04968	2.1
72.93790	10.1
76.02229	1.5
79.05482	4.2
81.07065	13.6
83.04993	17.3
83.08614	4.5
85.06547	2.8
87.04467	2.2
90.43275	1.2
90.94833	9.1
91.05489	19.8
93.07050	5.9
95.04941	1.7
95.08595	3.8
98.74088	0.9
101.06024	11.2
103.05455	1.5
105.07041	12.2
107.08582	2.4
108.95838	1.1
109.10165	49.3
111.04447	21.4
111.08059	2.2
113.96420	1.6
115.05450	4.0
116.06225	1.7
117.07024	16.9
118.06617	1.6
119.08595	12.9
127.07549	1.3
129.05475	2.4
129.07001	10.8
130.06548	1.2
130.07858	5.5
131.08575	100.0
132.08917	1.9
133.10158	1.7
137.06012	1.2
143.08574	13.3
144.09364	5.4
145.06491	2.4
145.07614	2.1
145.10130	30.1
149.96117	3.7
155.07066	12.1
155.08351	1.6
155.10655	1.4
158.07283	2.4
158.10930	19.4
167.97156	2.4
171.11742	1.8
173.04459	1.7
173.08147	18.7
173.09671	9.1
173.11942	3.4
173.13266	88.6
174.07610	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	173.0963
Annotation	Palutropone
Peak:m/z	Relative Intensity
50.24318	0.6
51.02379	1.0
53.03930	1.9
55.01641	1.2
55.01876	14.2
55.05513	9.1
56.96557	2.8
57.07053	0.8
59.04995	1.3
65.03929	1.4
67.05181	1.0
67.05508	13.1
69.03424	0.9
70.06581	1.2
70.67934	2.1
72.93795	6.8
73.65635	0.6
77.03902	1.0
79.05492	9.6
81.03388	1.0
81.07048	2.0
83.04984	7.6
84.08101	0.9
90.90377	1.3
90.94827	4.6
91.05486	34.8
91.17004	0.6
93.07050	0.7
95.04976	6.3
101.06031	5.2
103.05463	4.1
105.07043	8.5
107.04962	31.9
108.95857	0.8
111.04459	10.5
113.06046	0.8
115.05457	6.0
116.06233	2.2
117.07022	34.6
118.06574	0.8
119.08566	2.2
127.05437	0.7
127.07522	1.4
128.06247	3.2
128.07088	0.9
129.05484	1.7
129.07013	17.2
130.07829	5.6
131.04935	22.2
131.07593	1.4
131.08569	24.5
132.05725	8.6
132.95804	0.9
143.08539	6.5
144.05734	6.1
144.09344	1.9
145.06490	43.9
145.10127	34.0
146.06853	1.2
149.96097	2.6
153.06990	4.8
154.07751	2.6
155.05949	4.3
155.07076	5.1
155.08549	24.1
157.06456	1.2
158.07281	8.4
158.10942	4.2
167.97162	1.3
173.02429	4.2
173.08223	7.7
173.09627	100.0
173.13225	16.6
174.07652	1.8
174.10004	2.7
183.42957	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1169
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
55.05515	2.9
55.27361	0.6
63.48715	0.6
69.07043	0.7
70.08356	1.4
70.08752	1.3
72.04523	4.4
72.08159	0.6
73.20405	0.6
79.05507	2.4
83.08624	1.1
88.31848	0.6
89.07166	3.6
91.05488	1.8
98.06066	0.7
103.05492	2.1
104.96476	0.7
105.07045	9.1
115.05436	6.2
126.09162	0.8
127.05440	1.3
128.06233	56.4
129.07030	30.1
130.07808	14.3
131.04977	1.3
131.08572	13.4
141.07001	14.7
142.07800	18.5
143.08572	92.7
144.08929	2.5
145.06496	2.9
150.39262	0.7
152.06213	8.1
153.06984	6.4
154.07735	1.0
155.06052	5.4
155.08554	2.4
156.09360	47.1
157.09711	0.9
169.06531	1.1
169.10089	0.9
171.08067	100.0
171.11696	78.6
171.14882	2.9
172.08389	2.9
172.12015	2.6
181.07603	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	171.0804
Annotation	2-Hyroxybiphenyl
Peak:m/z	Relative Intensity
51.02388	0.3
55.01855	0.8
55.05518	2.4
61.05075	0.2
65.03934	0.3
69.03394	0.3
69.07070	0.3
71.14316	0.2
71.51185	0.4
72.04515	2.6
79.05473	0.7
83.08638	1.1
89.07159	1.4
91.05478	0.6
97.10154	0.8
103.05465	1.0
105.07002	0.3
107.08572	0.3
113.03020	0.3
115.05444	3.2
117.07020	0.6
125.09618	0.3
126.09153	0.8
127.05444	0.7
128.06227	29.8
129.07092	2.2
131.04927	1.0
141.07007	3.3
142.07799	1.5
143.08566	20.0
144.05687	0.8
144.08936	0.4
145.06497	1.8
152.06221	7.3
153.06985	4.0
154.07732	0.3
155.06033	2.9
155.08615	0.4
156.05753	0.4
156.09358	3.4
169.06451	1.5
170.07269	0.7
171.08051	100.0
171.11618	6.0
171.14929	1.0
172.08409	2.8
179.06207	0.4
181.07614	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0812
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
53.40987	1.0
55.01873	1.0
55.05513	1.6
56.05036	7.7
56.96578	5.9
57.03436	1.5
67.05514	1.2
68.05032	4.2
68.72688	0.9
69.03432	7.2
69.07056	1.5
69.87390	4.2
70.06597	83.9
70.94249	1.0
71.05001	2.5
72.04484	0.9
72.08165	2.3
73.02913	0.9
79.05495	8.9
80.05022	2.0
81.05773	1.1
81.07067	1.8
82.02941	1.6
82.06584	1.6
84.04501	3.6
84.08154	1.4
85.01463	1.1
86.06086	2.0
86.09711	3.1
87.04470	2.7
93.05773	2.2
94.06586	2.3
95.06084	1.2
96.04539	1.2
96.08137	48.8
98.06071	1.6
98.21503	1.2
100.07601	1.2
101.00861	1.6
102.02278	1.0
103.02425	2.0
106.06567	23.3
108.08125	5.9
110.06042	4.2
110.07163	2.8
114.05531	3.3
114.09171	12.3
119.01970	1.4
122.08839	1.0
124.01736	1.0
124.07600	93.4
124.11283	2.2
125.08435	4.7
128.07051	1.6
128.95097	2.8
128.98590	1.4
129.00404	1.2
134.06023	7.4
142.08636	31.9
146.96150	1.4
147.01382	3.3
147.03241	1.8
152.01920	1.3
152.07059	13.1
156.85036	0.9
170.02985	3.4
170.08141	100.0
170.09511	4.5
170.11775	2.8
171.08504	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	169.1226
Annotation	(-)-1,2-campholide
Peak:m/z	Relative Intensity
53.03944	0.9
55.01868	1.5
55.05510	5.6
55.76905	0.8
56.96549	0.9
57.07080	11.5
59.05009	1.1
65.03951	2.0
67.05509	18.3
69.03443	2.6
69.07076	6.6
70.06602	1.1
71.05006	4.5
71.41989	1.0
71.80431	0.7
72.62054	0.8
74.42202	0.8
79.05489	1.6
81.03409	1.0
81.07067	9.1
83.08620	6.1
85.06555	1.9
85.10181	1.5
86.41287	1.1
91.05478	1.9
93.07037	4.7
95.04992	2.2
95.08619	3.1
95.09206	0.8
97.06571	1.1
99.04454	1.9
105.07005	1.1
107.08611	3.3
109.02902	1.4
109.06524	1.9
109.10162	83.3
110.10460	0.9
111.04480	2.0
111.08086	100.0
112.08401	1.5
123.04438	0.9
123.11710	2.9
124.07655	1.5
126.03171	1.1
127.11199	97.6
128.11526	1.5
134.06009	0.8
141.05452	2.7
141.06990	2.5
151.03925	1.6
151.11211	2.3
152.07146	1.0
153.07018	2.0
154.07784	4.7
160.86429	0.8
169.04994	2.0
169.06358	1.2
169.07658	5.3
169.10097	10.0
169.12248	9.8
169.13527	1.5
170.06056	0.8
170.08112	2.1
170.09520	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0498
Annotation	3-HYDROXY-4-METHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
53.03956	1.3
55.01867	2.2
55.05524	3.2
56.05030	0.8
56.96558	1.3
57.03446	0.7
57.07077	0.7
59.04985	0.5
65.03948	5.5
67.01871	5.7
67.05513	9.7
67.83961	0.5
67.93574	0.7
68.05027	0.6
68.99790	4.7
69.03424	2.4
69.07075	1.3
70.06604	3.7
71.05001	4.4
71.40906	0.9
72.07788	0.5
72.08151	3.6
79.05497	4.0
81.03419	3.9
81.07066	7.5
82.06586	1.8
83.04986	2.0
84.04509	1.5
84.08146	1.5
85.02905	2.2
85.06551	2.3
85.94598	1.4
87.04470	0.6
91.05484	1.6
92.04953	0.7
92.51995	0.6
93.03412	1.9
93.07049	3.6
95.04977	9.0
95.06039	0.7
95.08598	3.3
96.04515	0.5
96.08138	2.2
96.08929	0.6
97.02920	0.8
97.06529	2.5
98.02426	0.8
98.03642	0.8
98.06047	0.9
99.04447	2.0
105.03396	0.7
105.07020	2.0
107.08572	2.0
109.02887	6.8
109.04015	1.4
109.06541	3.0
109.10174	2.7
110.02402	0.6
110.03653	0.6
110.06055	1.0
110.07179	0.6
111.00832	4.2
111.04453	6.7
111.08098	4.4
115.05445	1.0
115.34470	0.5
117.93631	0.6
118.94334	0.6
119.95103	0.5
122.99546	0.5
123.04440	39.4
123.08050	3.7
123.11722	1.8
124.03926	0.9
124.07626	3.1
124.11257	0.8
125.02341	0.8
125.05989	2.4
126.03135	6.1
127.03928	11.5
127.08646	0.8
128.04254	0.5
128.07100	0.7
128.95134	1.5
131.97368	0.7
133.10110	0.8
139.03934	1.0
141.05470	16.4
141.07127	0.9
141.09160	0.5
142.06514	0.7
142.08623	0.6
145.03256	0.5
146.75182	0.5
151.03918	57.4
151.07541	1.1
151.11150	1.4
152.04330	0.8
152.07077	2.0
154.02600	1.2
154.07747	1.0
163.97723	2.3
169.04979	100.0
169.07419	11.5
169.09964	2.1
169.12209	1.3
169.13496	0.6
170.05348	1.2
170.08157	2.2
170.09607	1.3
170.15326	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.9809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.6
54.09829	0.3
55.01875	0.7
55.05518	0.6
55.93531	0.6
56.05042	0.9
56.96568	100.0
57.03448	0.5
61.65545	0.3
65.03944	4.5
67.05512	1.4
67.92499	0.7
67.93568	0.3
68.05040	0.4
69.03440	1.0
69.07079	0.8
69.54639	2.0
70.06595	4.6
71.05003	0.7
71.19193	0.3
71.95262	2.3
72.08165	0.9
74.97617	1.0
75.37929	0.3
75.45806	0.3
79.05514	1.1
80.05024	0.4
81.03413	1.5
81.07069	1.3
82.06606	0.3
82.94866	1.2
83.04990	0.5
83.06121	1.2
84.04533	0.8
84.08135	1.7
84.96069	0.4
85.02930	0.9
85.94615	0.7
86.09709	0.4
87.04462	0.4
91.00523	0.6
91.05519	0.6
93.03411	2.6
93.07069	0.5
95.01332	0.5
95.04971	1.5
95.08624	1.3
96.08157	1.2
97.02944	0.6
98.06079	0.9
98.20926	0.5
99.04467	0.8
101.02583	0.4
103.95721	0.3
105.07084	0.6
106.06566	0.5
107.04979	0.6
107.08603	0.5
109.02896	2.8
109.06527	1.4
109.07671	0.4
109.10191	0.6
110.03685	0.8
110.06052	0.7
110.07211	0.4
111.00813	0.7
111.04456	5.8
112.01019	0.5
113.03512	0.3
113.10793	0.5
117.93559	0.4
119.01914	0.5
119.95155	0.3
120.08135	0.6
121.01656	0.5
121.08433	2.5
122.96074	0.5
122.97557	4.1
123.00811	0.5
123.04462	1.9
123.08134	0.8
123.09181	0.7
123.11691	0.4
124.03983	0.7
124.07603	2.7
124.11266	0.5
124.99147	0.7
125.06004	1.6
126.03152	1.2
126.93745	0.3
127.03961	0.7
128.02541	0.3
128.07104	0.6
128.95145	0.7
134.06085	1.6
140.98596	11.7
141.03889	0.4
141.05478	3.7
141.07080	0.4
142.08730	0.6
143.00192	1.6
145.03523	1.2
145.96780	0.3
146.03624	3.0
146.96161	0.4
146.99638	0.4
147.03256	1.0
150.36458	0.3
151.03967	2.0
151.05939	0.6
151.08678	0.6
152.07088	3.1
158.99669	18.2
161.01234	3.8
163.04572	0.7
163.96443	0.4
163.97766	1.2
164.04680	1.8
165.04268	0.4
167.46677	0.3
168.96915	0.4
168.98083	1.6
169.05028	3.9
169.09669	2.3
169.12160	0.5
169.13281	1.8
170.08139	2.3
170.09528	0.5
177.00735	4.3
179.02339	1.1
186.99165	19.6
187.06271	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1385
Annotation	4-Epimyrtine
Peak:m/z	Relative Intensity
53.03945	2.1
55.01886	9.1
55.05274	2.4
55.05517	37.9
56.96570	3.1
57.03418	1.8
65.03937	3.1
67.05489	7.2
67.92512	14.5
68.05010	5.9
69.03418	5.5
69.07073	95.2
70.06603	14.9
71.04977	3.6
71.08636	4.9
71.49412	2.6
72.08163	23.1
79.05477	3.9
80.05016	2.6
81.03412	6.0
81.07051	6.0
82.02935	3.7
82.06594	9.9
82.07382	1.7
82.94852	21.1
83.04963	5.9
83.08655	9.2
83.09074	1.5
84.04519	13.2
84.08141	8.1
85.94588	2.6
86.06072	2.9
87.04453	3.3
91.05442	1.9
94.02917	2.1
94.06577	8.7
95.04967	6.4
95.06081	10.9
95.08603	4.0
96.08103	1.9
97.02910	2.8
97.06535	14.6
98.06062	25.6
98.09692	7.2
99.04470	2.3
104.05035	1.8
108.04480	5.5
108.08110	4.7
108.08886	2.4
109.02880	7.8
109.03995	2.7
109.06512	4.0
110.06020	3.9
111.04459	3.0
111.08035	1.8
112.03967	6.2
112.07651	3.9
114.09172	7.4
120.08092	2.3
122.06037	17.5
122.08796	2.8
122.09621	4.3
123.04441	2.4
123.08057	2.3
123.17872	1.9
123.97446	9.7
124.03992	3.2
126.05535	10.8
126.06634	51.1
126.07601	3.0
126.09163	46.8
126.93783	7.5
127.03891	3.3
133.10132	1.9
140.03407	6.2
140.07057	18.1
140.10724	3.8
144.94858	10.4
150.05507	16.7
150.09123	8.4
151.03922	2.9
151.06168	32.2
151.08612	2.6
162.95862	15.0
168.02936	5.4
168.06520	19.8
168.08833	8.3
168.10213	24.4
168.13846	100.0
169.04897	2.2
169.07582	3.4
169.14203	3.4
185.97485	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	168.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.3
53.94031	1.6
55.01871	3.5
56.05040	3.1
56.96567	31.7
57.03448	2.5
58.99886	1.7
65.03941	2.1
67.01842	2.0
67.05517	4.4
67.92514	45.5
68.05037	2.2
69.03436	4.4
69.07069	3.7
70.06599	9.5
71.47473	2.9
72.08142	2.2
73.02914	3.2
77.00911	1.9
79.05506	2.5
80.05009	4.5
81.03429	3.8
81.07047	1.9
81.52853	1.9
82.01441	9.1
82.06593	2.8
82.78249	1.9
82.94846	83.1
84.04498	5.2
84.08150	9.3
85.02917	5.5
85.93559	8.5
85.97300	3.5
86.06059	2.1
91.05486	48.5
92.05006	13.1
94.06567	12.2
95.04965	6.7
95.06103	5.5
95.08618	2.2
96.04482	2.0
97.02918	3.8
98.06055	2.6
98.97560	3.1
100.02496	28.1
100.95898	5.9
101.00873	7.2
103.00637	13.9
103.02430	2.1
103.98344	14.9
104.00925	3.1
106.06563	2.8
108.04476	6.5
108.08127	4.9
109.02879	4.7
110.06036	3.7
112.03950	5.7
112.07614	6.1
115.01240	2.0
115.02409	4.0
117.02129	2.8
118.03526	7.2
119.01923	12.4
119.04938	29.2
120.08074	3.6
121.01680	28.5
121.99367	26.9
122.01968	9.6
122.06037	12.1
122.08788	1.9
122.09690	3.2
123.97461	40.8
124.08695	1.9
126.05530	5.0
126.06598	7.1
126.93768	25.7
126.97049	2.1
126.98841	3.0
127.02425	8.6
127.03963	2.8
130.08653	2.7
131.01894	2.2
133.03459	2.7
136.03954	14.1
136.05208	5.8
139.02710	4.6
140.00406	6.5
140.03386	7.0
140.07079	4.8
140.10735	2.7
141.05377	2.7
143.01958	1.8
144.03256	7.3
144.05022	9.8
144.26680	2.0
144.94829	40.5
144.95894	3.9
144.98058	4.4
144.99831	10.9
145.00957	31.5
145.03482	70.4
145.05222	3.8
146.03574	2.5
147.05106	2.6
150.05510	54.4
150.09163	4.5
151.06311	4.0
151.07549	89.4
151.08514	3.3
154.05000	100.0
156.03329	48.4
156.04620	2.4
158.99554	2.2
161.02959	2.4
162.04318	2.5
162.06146	6.2
162.95891	38.8
162.99155	2.2
163.00830	6.0
163.02086	11.6
163.03058	2.7
163.04546	22.5
167.58142	1.8
167.96408	12.8
168.01514	2.8
168.02979	10.0
168.05083	27.4
168.06573	29.0
168.07787	2.3
168.10190	13.8
174.04396	37.5
174.05817	3.1
176.07697	1.7
185.97516	8.7
186.02899	2.6
186.04376	14.7
186.06140	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16706	0.7
58.99862	1.1
67.05498	0.9
67.92505	2.7
70.97108	1.4
70.98036	1.1
82.01451	2.0
82.94855	5.6
84.99603	5.0
85.97305	10.4
85.99915	2.4
88.51122	0.6
88.99091	0.9
94.06586	0.7
97.00165	0.7
97.01366	0.8
99.01177	0.9
100.02476	3.4
101.00873	1.2
102.00973	1.1
102.02233	1.0
103.00648	46.7
103.01294	2.5
103.98339	46.3
104.00944	19.8
104.98413	1.3
105.01047	0.7
107.00136	1.0
107.08643	0.8
113.97919	1.0
115.01186	1.2
115.02465	1.1
117.02184	1.8
119.01926	2.1
119.03747	0.9
120.02047	2.7
121.01678	100.0
121.99377	79.9
122.01972	39.9
122.99454	2.1
123.02097	1.2
123.97419	3.7
126.02205	3.9
126.05471	0.8
126.93761	1.4
126.99084	0.8
126.99889	5.2
127.02531	8.7
131.01851	1.2
132.02043	1.3
133.03450	1.0
135.03249	1.1
139.01907	0.5
139.02705	19.2
140.00420	28.1
140.03009	8.2
140.07123	0.7
141.00520	0.8
144.03250	36.2
144.05057	1.4
144.94824	2.9
145.00958	86.9
145.03569	65.1
146.01057	2.4
146.03728	1.3
150.05435	1.1
162.04272	6.2
162.95863	3.1
163.01949	49.5
163.04630	12.9
164.02159	1.4
167.96359	1.1
168.02600	1.7
168.05142	4.0
168.06567	1.5
168.10251	1.8
185.97485	0.7
186.03262	2.0
186.06210	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	167.1433
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03949	4.5
55.01881	4.8
55.05517	84.7
56.05847	0.8
57.03444	3.4
57.07084	3.0
59.05009	10.2
65.03951	1.2
67.05511	14.2
69.03439	21.6
69.07073	10.1
70.06606	0.9
71.05002	2.9
71.06905	1.5
79.05501	10.4
80.05023	0.9
80.87911	0.7
81.07069	16.9
82.02947	0.8
83.04991	100.0
83.08626	35.6
84.05326	1.3
85.06558	7.9
91.05496	6.8
93.07056	14.7
94.06569	0.9
95.04977	3.7
95.08614	7.4
97.06536	5.1
97.10178	9.9
99.08089	1.4
103.00654	2.1
103.05491	0.9
104.05866	0.8
105.07043	5.7
106.04159	1.0
107.04981	2.3
107.08607	22.3
109.06501	2.5
109.10170	17.8
111.04485	1.4
111.08092	24.6
112.08888	7.5
113.03548	0.9
113.09650	2.9
119.06061	0.7
121.01694	3.6
121.06535	5.4
121.08433	3.4
121.10153	14.9
122.06062	1.0
123.04443	2.6
123.08094	2.1
123.11713	6.8
125.05980	3.4
125.09652	14.0
127.71421	0.8
131.08580	3.1
139.07533	1.1
144.03284	2.3
149.02354	1.1
149.06010	9.4
149.09644	7.4
149.13287	4.5
150.05518	0.8
152.04688	1.0
167.03409	1.8
167.07047	12.9
167.08336	0.9
167.10670	3.5
167.14336	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1069
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
52.29772	0.6
53.03954	3.9
55.01872	1.2
55.05518	13.1
57.07099	1.4
59.05014	3.3
62.72079	0.6
65.03921	0.9
67.05515	8.3
69.03423	2.8
69.07072	44.0
69.48174	3.1
69.48589	1.7
71.04992	0.8
72.19294	0.7
77.03890	0.8
77.16351	0.6
79.05498	23.4
81.03400	0.6
81.07062	14.4
83.04979	2.8
83.08627	2.9
88.57627	0.6
90.66293	0.8
91.05484	14.3
93.07050	85.3
94.07393	0.9
95.04976	3.0
95.08620	13.9
97.06548	8.5
97.10162	1.9
98.20726	1.3
103.05489	1.6
105.04545	1.2
105.07037	21.9
106.07829	2.1
107.04979	1.6
107.08603	7.8
109.06523	2.0
109.10179	1.1
111.04433	0.7
111.08070	1.0
111.11724	6.5
119.08598	5.2
121.06504	2.3
121.10152	100.0
122.10529	1.6
123.04353	0.8
123.08092	3.7
123.11714	1.0
125.05992	1.1
125.09605	1.6
131.08543	1.0
133.07654	3.6
139.07620	0.8
139.11183	3.4
144.03255	0.8
149.02405	1.2
149.09622	11.9
149.13269	1.0
150.09187	1.0
167.07042	2.9
167.09094	1.7
167.10689	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0705
Annotation	4-Hydroxyhydratropate
Peak:m/z	Relative Intensity
51.02375	1.2
51.86521	1.1
53.03951	12.8
54.08006	1.1
55.01881	6.3
55.05514	7.7
56.22217	1.0
56.96556	3.0
57.03443	2.9
57.07082	1.9
65.00803	1.1
65.03936	4.6
67.05506	7.1
68.99777	1.9
69.03435	12.3
69.07075	14.2
69.80636	2.9
69.81025	2.2
70.06596	1.2
71.05002	2.2
77.03932	3.0
78.04690	1.4
78.29844	1.1
79.01854	1.9
79.05502	33.7
81.03419	3.8
81.04543	1.5
81.07064	39.1
83.04967	5.3
83.08638	3.9
84.96044	3.4
85.83681	1.1
91.05487	33.2
93.03410	3.9
93.07053	54.9
94.07378	1.3
95.04980	37.3
95.08601	5.7
96.04510	1.4
97.02911	12.1
97.06539	7.0
98.98490	2.0
102.97034	1.3
103.00631	2.6
103.05477	17.2
104.05827	1.1
105.04546	7.1
105.07041	23.0
107.01325	25.5
107.04284	1.9
107.04962	15.7
107.08589	12.4
108.02107	1.3
109.06518	2.5
111.04459	4.1
111.08073	4.0
111.11719	1.8
115.82175	1.0
121.01688	8.5
121.02885	30.4
121.06520	33.0
121.07603	1.8
121.08405	7.3
121.10150	25.5
123.08080	9.0
124.05185	1.3
125.02366	13.4
125.06055	1.2
125.09702	1.1
131.05035	1.4
131.08557	2.7
133.07539	1.6
139.02693	2.4
139.03967	1.3
139.07541	3.5
139.11209	1.5
143.96779	3.7
144.03268	4.6
149.02396	5.1
149.05997	100.0
149.09650	6.2
149.13297	4.1
150.05443	2.2
151.03990	1.1
152.06242	1.9
161.61157	1.0
162.04369	1.8
165.07069	1.8
167.03426	4.9
167.05659	1.5
167.07068	44.5
167.08531	6.8
167.10629	14.2
167.11935	2.1
167.14322	5.7
168.06572	1.7
168.10217	1.9
184.65668	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0866
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
51.11342	0.2
52.63789	0.2
53.03947	0.3
55.01882	0.3
56.96587	0.3
67.05522	0.6
69.03433	0.4
70.06608	0.6
70.67522	0.4
72.53596	0.2
75.90538	0.2
77.78043	0.2
78.04266	0.2
78.04697	0.2
79.05490	2.2
80.05033	0.9
80.94939	0.2
81.07071	0.5
82.07419	0.2
83.05021	0.3
83.81329	0.2
83.93048	0.9
84.08152	0.2
87.04489	0.3
91.05470	1.6
92.05839	0.8
93.07049	3.1
94.06582	0.4
94.07391	0.2
95.04979	0.7
95.06108	0.3
95.08594	0.4
96.04503	0.9
96.05331	0.3
96.08118	0.3
96.48663	0.2
97.02881	0.3
97.06528	0.3
98.06052	0.2
101.94125	0.4
103.05473	11.2
104.05810	0.3
105.04526	0.2
105.07070	0.6
106.06586	0.4
106.07348	0.3
107.04957	2.6
107.08609	0.8
108.04470	0.2
108.08115	0.2
110.06064	0.7
115.96449	0.3
118.06553	0.6
119.01966	0.3
119.95229	0.3
120.02068	0.7
120.08112	100.0
121.01727	0.3
121.06529	1.0
121.08447	1.7
121.10161	0.6
122.06042	0.7
123.04407	0.5
123.06812	0.4
124.03995	0.3
124.07592	0.2
125.02490	0.3
131.04955	2.3
136.07582	1.5
138.05521	1.0
138.09114	0.5
138.10103	0.4
139.07607	0.2
142.03595	0.2
142.95007	0.2
142.96704	2.3
143.03670	0.6
144.03194	0.2
148.03830	0.2
148.04863	0.5
148.07597	0.5
148.12021	0.5
149.02348	0.4
149.05978	0.6
150.05484	0.6
151.06241	0.5
161.04709	0.2
166.04991	1.9
166.08632	9.0
166.12109	0.3
166.13319	0.3
167.07027	1.1
167.08353	0.3
167.54495	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1277
Annotation	Jasmone
Peak:m/z	Relative Intensity
50.05152	1.3
53.03933	3.3
53.62948	1.3
55.01862	2.0
55.05518	14.3
57.03429	4.2
57.07082	6.9
59.02199	1.2
59.04995	3.3
64.93562	1.2
65.03942	4.0
65.62474	1.4
67.05511	44.9
68.66235	1.2
69.03436	12.7
69.07077	13.5
69.28681	13.0
69.28970	1.1
70.06590	1.8
71.04997	3.1
77.03941	1.8
79.05498	22.6
81.03420	4.7
81.06590	2.9
81.07065	49.3
82.99870	3.5
83.04968	7.4
83.08607	4.3
84.08113	1.6
85.06531	3.1
91.05489	46.7
93.07054	21.5
95.04980	62.9
95.08621	39.9
95.09243	1.4
97.06556	7.1
101.00896	20.8
103.05463	6.2
105.04533	1.7
105.06318	1.7
105.07037	45.0
107.04980	6.5
107.08603	51.4
107.75132	1.5
108.05722	2.7
108.08886	1.4
109.05799	2.5
109.06525	35.8
109.09426	1.3
109.10170	9.5
110.07343	3.1
117.07027	8.3
119.01940	36.2
119.04953	24.7
119.08592	66.0
120.08120	31.3
120.08945	3.0
121.06516	3.4
121.10153	37.7
122.07308	2.2
123.04436	15.3
123.08073	46.6
123.11725	32.7
124.02441	3.1
129.07008	2.5
132.05710	4.8
132.09351	1.7
133.07564	2.0
137.02971	6.7
137.05980	6.0
137.09610	13.3
137.13290	7.1
138.09189	2.0
141.09140	2.1
142.03513	25.9
142.96764	1.7
144.86682	1.4
145.10127	2.6
147.04427	44.1
147.08064	22.9
147.11697	23.0
148.04866	1.7
160.04594	3.0
160.24290	1.3
165.01782	1.5
165.05499	4.8
165.09111	13.9
165.12770	100.0
166.04961	2.3
166.08621	4.1
166.13148	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	165.1277
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03961	1.5
55.01886	2.6
55.05520	6.0
57.03443	3.0
57.07086	2.6
58.69231	0.5
59.05007	1.1
65.03960	1.4
67.05511	12.9
69.03428	2.7
69.07079	4.6
69.54774	3.4
70.06601	0.7
71.05000	1.2
71.08632	0.6
72.69666	0.6
77.03952	0.6
79.05495	10.2
81.03422	2.7
81.07066	22.5
82.99862	1.3
83.04994	2.9
83.08628	1.9
83.93055	0.6
85.62077	0.6
91.05491	17.4
93.07053	14.8
94.04194	0.7
95.04977	9.1
95.08613	14.7
97.06561	1.6
98.21487	1.1
100.02540	0.7
100.10397	0.5
100.47045	0.5
101.00887	10.4
102.00964	0.6
103.05476	1.9
105.07043	14.1
107.04945	2.3
107.08605	15.0
109.06525	22.7
109.07276	1.1
109.10164	12.6
110.53905	0.5
117.07035	1.2
117.16435	0.5
119.01934	22.2
119.04945	8.6
119.08590	22.4
120.02044	0.8
120.08114	6.1
120.08867	0.9
121.06516	2.0
121.10156	28.8
122.07300	8.5
123.04443	3.0
123.08086	12.3
123.11703	4.8
124.02456	1.4
135.08090	2.8
136.07660	0.6
136.08864	0.7
137.02966	4.3
137.06049	3.0
137.09628	100.0
137.13239	1.2
138.09067	0.9
138.09998	1.9
142.03511	15.0
142.96695	1.5
147.04425	14.7
147.08060	3.1
147.11710	10.0
148.03799	0.6
150.10411	4.9
160.04572	2.9
165.01877	0.7
165.05432	3.8
165.06775	1.0
165.07709	0.8
165.09084	8.5
165.12767	40.0
166.05003	1.0
166.08646	2.6
166.13118	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	165.1276
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
53.03938	0.7
55.05513	4.0
57.07063	0.5
65.03941	1.2
67.05512	4.2
67.11845	0.4
68.05035	0.4
69.03434	1.1
69.07069	2.6
71.04995	0.4
71.50788	0.8
79.05488	3.4
79.63970	0.4
80.05022	1.2
81.03453	2.2
81.07063	7.9
83.04987	1.2
83.06097	0.8
83.08632	2.6
83.93043	0.5
91.05489	7.0
91.78011	0.5
93.07038	3.0
95.04976	100.0
95.08610	4.3
96.05321	1.6
101.00891	2.2
103.05470	0.9
105.07038	5.2
107.05009	0.5
107.08600	9.5
109.06525	18.0
109.10181	2.2
115.35134	0.4
115.96454	0.5
119.01938	5.0
119.04953	8.5
119.08598	4.5
120.02089	0.5
120.08116	6.6
121.06481	0.8
121.10152	2.9
123.04460	1.3
123.08073	2.4
123.09088	0.7
123.11710	1.5
136.07597	1.5
137.02994	1.9
137.05974	1.3
137.09637	3.1
137.10544	0.6
137.13283	1.0
142.03520	3.9
142.96674	1.3
147.04424	13.7
147.05540	1.0
147.08066	0.8
147.11693	9.2
148.07567	0.7
160.04520	1.4
165.05403	1.5
165.06804	0.9
165.09094	3.9
165.12759	48.3
166.05058	0.9
166.08649	4.3
166.13081	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	165.1276
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
53.03940	0.5
55.05515	3.9
57.03438	0.4
57.07081	0.5
65.03934	0.6
67.05506	2.4
68.94276	0.2
69.03426	1.1
69.07069	2.6
70.06548	0.3
70.13540	0.9
71.04998	0.5
79.05495	2.5
81.03419	1.8
81.07061	6.0
83.04989	0.9
83.08633	2.9
91.05484	4.2
93.07034	2.3
95.04971	100.0
95.08604	4.4
96.05283	1.7
101.00880	1.7
105.07038	4.2
107.04958	0.4
107.08602	8.6
109.06522	18.3
109.10155	1.9
117.06940	0.4
119.01908	2.9
119.04951	2.3
119.08587	4.4
120.08100	1.5
120.98481	0.3
121.06521	0.3
121.10145	2.2
122.07275	0.5
123.04445	0.7
123.08031	1.4
123.11733	1.3
137.02953	0.4
137.09631	2.3
137.13264	1.2
142.03505	2.0
142.96671	0.5
146.16209	0.3
147.04431	4.2
147.08046	0.4
147.11697	9.2
160.04562	0.5
165.04301	0.4
165.05547	0.6
165.09102	3.1
165.12758	44.7
166.08656	0.8
166.13115	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0913
Annotation	hinokitiol
Peak:m/z	Relative Intensity
51.02376	0.6
53.03947	3.7
55.01876	10.9
55.05515	3.5
55.27399	0.6
57.03440	3.6
65.03947	3.8
65.92626	0.7
67.05511	42.8
68.99809	1.8
69.03427	2.9
69.07065	1.2
70.06585	3.1
70.98645	0.7
71.00488	0.8
71.00856	1.2
71.04998	5.8
75.99640	0.5
77.03940	1.7
79.05502	14.5
80.94969	1.2
81.03444	3.8
81.07066	16.6
82.99854	1.6
83.04996	2.9
84.08176	0.9
85.02902	3.2
91.05488	47.1
92.05836	0.8
93.07052	23.1
95.04975	71.2
95.08612	9.3
96.05304	0.8
97.02911	0.5
97.06541	9.1
99.04475	1.3
100.02494	0.6
101.00893	13.6
103.05477	5.4
104.06271	0.8
105.03415	0.9
105.04517	2.0
105.07037	30.5
107.04980	3.8
107.08600	4.1
109.06526	11.0
109.10168	14.0
111.00509	0.5
111.04450	1.3
117.07039	4.9
119.01933	34.0
119.04947	20.6
119.08589	23.8
120.02030	0.6
120.08118	12.8
120.08940	1.1
121.06517	10.8
121.10129	2.0
121.97601	0.6
122.07235	0.8
123.04436	100.0
123.08059	11.7
124.02428	2.4
124.04776	1.9
128.06253	1.0
129.07016	4.6
131.04945	1.1
132.05710	1.7
133.02881	1.3
133.06491	1.0
135.04462	0.6
135.08069	2.1
136.06149	0.9
136.07585	1.1
137.02992	5.6
137.05991	5.6
137.09628	29.1
138.05495	0.7
138.09126	1.2
142.03510	22.2
142.94952	0.8
142.96712	1.0
147.04424	34.0
147.08061	12.8
147.11700	2.6
148.04767	0.7
150.06760	1.5
160.04579	4.1
165.01836	1.4
165.05495	6.9
165.06764	1.1
165.09122	28.3
165.12772	2.5
166.05002	1.8
166.08658	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	165.0913
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
51.02397	0.3
53.03954	0.9
55.01877	0.5
55.05513	1.8
57.07077	0.4
65.03960	0.9
67.05509	13.8
68.73560	0.3
69.03436	0.7
69.07065	1.6
70.65431	0.5
71.04985	0.3
73.25522	0.3
77.03921	0.3
79.05502	3.7
79.18533	0.3
81.03432	0.9
81.07059	6.1
82.99863	0.3
83.04980	1.9
83.54498	0.3
91.05486	17.0
93.07059	3.7
93.92360	0.3
95.04978	3.2
95.08606	3.4
101.00900	3.9
103.05478	2.4
104.06268	1.4
105.07047	3.1
107.04947	2.1
107.08580	2.7
109.06530	3.3
109.10165	12.6
115.05460	1.1
117.07020	3.3
119.01932	7.3
119.04950	3.0
119.08588	18.4
120.08121	2.9
121.06538	1.1
121.10156	1.9
122.07299	9.5
122.08195	0.5
123.04445	1.1
123.08047	1.4
123.11736	0.5
124.02480	0.4
132.05756	0.5
135.08061	0.4
137.02962	1.3
137.06026	0.7
137.09625	41.0
138.09985	1.0
142.03514	5.2
142.96632	0.3
147.04420	6.0
147.08069	4.2
147.11691	2.1
160.04547	0.8
165.09120	100.0
165.12743	4.6
166.09621	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	165.0913
Annotation	hinokitiol
Peak:m/z	Relative Intensity
53.03950	7.4
55.01877	27.2
55.05513	6.5
56.96563	1.5
57.03444	6.6
62.14507	1.2
65.03944	10.0
65.92611	3.8
67.05509	99.1
68.99778	3.9
69.03434	8.0
69.07060	1.9
70.06570	4.0
71.05002	11.9
71.49400	2.4
77.03910	2.5
78.95267	1.3
79.05497	36.3
80.05024	1.8
80.94955	5.8
81.03426	12.0
81.07062	32.4
82.99876	3.0
83.04973	4.5
83.06068	1.3
84.08142	2.6
85.02922	7.9
85.06544	6.7
87.04403	1.4
91.05487	100.0
92.05796	1.4
93.07049	57.6
93.07641	2.9
95.04975	79.6
95.08616	20.8
96.04456	1.4
97.02890	2.1
97.06540	25.2
99.04434	3.0
100.02500	1.5
101.00887	36.6
103.05481	12.4
104.06290	1.3
105.04534	1.3
105.07038	70.5
107.04939	8.0
107.08589	8.7
109.06519	24.7
109.10168	32.1
111.02941	1.7
111.04440	2.5
115.05456	1.7
117.07008	9.9
119.01933	83.7
119.04953	45.3
119.08590	55.4
120.02015	2.3
120.08119	53.7
121.06517	19.9
121.10142	3.1
121.97573	3.4
122.06028	1.8
123.04456	34.3
123.08076	25.5
123.11684	2.1
124.02479	7.1
124.93833	1.9
128.06250	1.6
129.07013	8.8
132.05682	2.2
133.02837	3.8
133.06491	1.6
135.04434	2.0
135.08031	4.4
136.07556	1.5
137.03000	14.4
137.06001	15.6
137.07001	2.6
137.09625	66.9
138.05431	1.8
138.09131	4.4
142.03506	58.9
142.94952	2.8
142.96666	3.0
143.03636	2.4
147.04420	70.0
147.08052	20.8
147.11685	5.0
150.06778	7.1
160.04546	12.4
160.95995	3.5
165.01811	2.4
165.05544	10.2
165.06688	3.0
165.09113	51.0
165.12730	7.3
165.13931	2.2
166.05003	4.4
166.08632	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	165.0549
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
50.54929	0.2
51.02373	0.2
51.78656	0.2
53.03947	0.5
55.01881	0.4
55.05509	0.5
57.07085	0.3
65.03956	1.9
67.05511	2.6
69.03441	0.3
69.07065	0.4
69.82406	0.2
70.06594	0.3
71.04995	0.2
77.03964	0.2
79.05495	1.5
81.03424	0.7
81.07069	3.6
82.99821	0.5
83.04987	0.4
83.08621	0.3
85.02893	0.2
85.06541	1.2
85.12965	0.2
91.05487	31.1
92.05820	0.7
93.07048	1.8
95.04984	3.1
95.08619	2.2
97.06528	1.0
100.27400	0.2
101.00884	3.7
102.49079	0.2
103.05476	0.7
105.07031	3.2
107.04980	0.4
107.08582	1.2
109.06555	1.2
109.10169	1.4
117.07040	0.3
119.01939	8.0
119.04948	58.2
119.08589	4.2
120.02041	0.2
120.04549	0.2
120.05199	1.1
120.08123	2.6
121.06518	0.6
121.10156	1.5
122.07305	0.4
123.04440	3.0
123.08084	1.4
123.11714	0.5
124.02432	0.5
133.02856	0.5
135.04446	0.2
135.08192	0.2
136.07596	0.3
137.02989	1.6
137.05969	1.1
137.07924	0.5
137.09604	2.3
137.13246	0.3
138.05531	0.2
142.03514	5.3
142.04625	0.3
142.94946	0.2
147.04417	100.0
147.11700	2.0
148.04784	1.9
150.06725	0.5
160.04558	1.1
165.05524	2.3
165.06764	0.4
165.09105	3.7
165.12772	3.3
166.04999	0.2
166.08609	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0549
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.63833	0.3
53.03953	0.5
55.01871	0.5
55.05514	0.8
57.03451	0.4
65.03947	1.7
65.92651	0.3
67.05517	2.2
69.07063	0.7
69.34539	0.9
69.34966	1.5
70.06588	0.7
70.77751	0.3
72.82581	0.3
77.03936	0.5
79.05502	1.4
80.94983	0.8
81.03426	0.6
81.07076	1.6
82.99876	0.7
84.08170	0.8
85.06553	0.5
91.05487	31.8
92.05809	0.6
93.07086	1.8
95.04971	4.6
95.08617	1.2
97.06562	0.4
98.21643	0.3
98.97599	1.2
101.00890	8.0
103.05473	1.1
105.07020	1.5
107.04980	0.6
107.08595	0.8
109.06536	1.5
109.10159	1.1
119.01940	17.4
119.04951	55.2
119.08592	2.8
120.05280	0.8
120.08112	4.9
121.06555	0.7
121.10173	0.5
121.97585	0.5
122.07329	0.4
123.04441	6.0
123.08073	0.9
123.11722	0.3
124.02470	1.8
132.77254	0.3
133.02879	0.5
137.02979	2.6
137.06018	2.0
137.08026	0.4
137.09625	2.0
138.09171	0.8
142.03508	11.1
142.95001	0.3
147.04420	100.0
147.11691	0.7
148.04790	2.5
158.99739	0.4
160.04555	2.4
165.01868	0.3
165.05473	2.9
165.07565	0.9
165.09135	2.9
165.10295	0.4
165.12772	1.3
166.05095	0.6
166.08667	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.14042	0.6
60.30807	0.5
68.58729	0.6
70.32882	1.0
70.33214	1.0
82.01462	1.3
82.99847	12.8
85.04240	0.5
95.05005	0.8
100.02483	1.3
101.00891	75.5
102.00983	2.0
111.00454	1.2
119.01932	100.0
119.89388	0.8
120.02026	3.6
124.02460	14.8
124.03379	0.7
137.02972	12.9
138.03218	0.6
142.03510	71.3
143.03687	2.1
160.04567	10.8
161.02888	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54557	0.4
64.24942	0.4
71.27985	0.8
82.01450	1.4
82.99848	11.9
95.04965	0.9
99.41216	0.5
100.02492	1.1
101.00886	74.5
102.00992	1.7
111.00445	0.7
119.01926	100.0
120.02000	2.3
123.04449	1.4
124.02457	13.7
125.02557	0.9
137.02158	0.3
137.02951	11.9
142.03505	81.2
143.01912	0.6
143.03622	2.3
160.03369	0.8
160.04570	11.1
165.05054	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	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
63.03125	0.6
65.02912	0.6
71.37351	0.9
71.37706	0.7
82.01437	1.4
82.99847	10.4
90.69961	0.6
100.02476	1.0
101.00889	72.7
102.00978	1.2
102.76952	0.5
108.65961	0.6
111.00424	0.9
112.19977	0.6
119.01928	100.0
120.02070	2.2
124.01606	1.1
124.02464	13.6
124.03372	0.8
137.02959	11.9
142.03506	77.0
143.03656	1.8
160.04578	8.9
161.04616	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02376	1.1
53.03946	9.1
55.01877	1.9
55.05511	9.2
57.07080	1.2
60.51081	0.6
61.02922	1.2
65.03950	1.3
67.05504	8.7
69.07066	17.4
71.30350	1.0
77.03922	3.1
79.05492	34.8
80.05840	0.9
81.03424	1.7
81.07057	48.6
82.07372	0.8
83.08615	6.2
85.02895	1.8
91.05476	15.1
92.02629	3.0
93.07042	44.0
94.07380	0.8
95.04968	10.1
95.08606	26.6
102.96879	0.8
105.03394	5.4
105.04492	5.4
105.07032	8.6
106.06548	2.2
107.04958	4.6
107.08593	100.0
108.08897	0.8
109.06538	1.6
109.10138	2.0
115.05440	1.4
117.05749	0.9
117.07028	3.2
119.06078	1.2
119.08576	2.9
120.08124	0.6
121.06506	2.5
121.10146	31.9
130.06511	3.7
132.08086	4.1
133.02859	22.1
133.10182	0.9
135.04417	20.9
135.05441	1.5
135.08041	1.6
135.11679	10.9
145.06506	1.1
145.10100	4.0
162.27986	0.6
163.03902	75.9
163.07533	2.5
163.08667	1.4
163.11157	16.8
163.12347	3.1
163.14824	45.4
164.04311	1.0
164.07022	1.3
164.15250	1.5
171.43002	0.7
178.86174	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03952	4.9
54.03480	16.5
55.01877	1.1
55.05517	9.5
57.07071	1.9
61.37875	0.6
65.03948	1.0
67.05516	6.9
69.07078	17.9
71.08636	0.7
71.51546	0.6
77.03938	1.2
79.05502	28.5
80.05009	1.0
81.04548	10.5
81.07063	45.2
82.05318	1.1
83.08629	5.5
84.08144	0.9
91.05483	11.7
92.02637	1.2
93.07053	41.0
94.07383	1.0
94.72687	0.6
95.04980	7.0
95.08620	28.3
103.05457	1.2
105.03427	1.4
105.04518	1.7
105.07046	7.7
106.06565	2.4
107.05005	1.4
107.08606	100.0
108.08953	1.9
109.06531	2.0
109.10165	1.7
117.05785	1.3
117.07023	1.1
119.06102	1.5
119.08595	2.3
120.08134	0.9
121.06635	1.4
121.10155	30.7
122.07146	7.4
123.07985	1.9
130.06523	4.7
130.07458	0.8
132.08116	5.0
133.02867	8.2
133.10193	1.0
135.04439	9.8
135.08066	1.5
135.11710	12.4
136.08733	0.8
140.08224	1.4
145.10127	1.8
163.03929	31.9
163.07559	1.0
163.08676	1.3
163.09811	4.4
163.11186	5.3
163.12360	4.4
163.14844	46.7
164.04321	0.9
164.07054	1.6
164.15115	1.0
171.18054	0.6
175.05579	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02378	1.4
53.03715	0.9
53.03947	12.5
54.03479	7.3
55.05516	8.9
65.03924	1.0
67.05512	10.1
69.03448	0.9
69.06737	1.4
69.07073	18.4
71.05260	1.8
77.03938	3.4
79.05501	38.3
79.05976	1.8
80.05023	1.2
80.05819	1.1
81.03419	1.4
81.04556	6.5
81.07061	46.3
83.08624	7.1
84.08135	1.8
84.69875	0.9
86.17409	1.0
91.05487	17.1
92.02604	4.8
93.07052	49.8
94.07365	1.6
95.03308	0.9
95.04979	15.1
95.08613	30.2
103.05450	1.9
105.03409	5.1
105.04503	6.2
105.06494	0.9
105.07049	9.4
106.06604	4.6
106.07272	1.7
107.05005	4.4
107.08602	100.0
108.08891	1.4
109.06514	1.8
109.10145	2.4
111.12256	0.9
112.63707	0.8
117.05752	3.7
117.07024	3.8
119.04952	1.0
119.06107	1.3
119.08569	4.6
120.08087	2.1
121.06489	3.9
121.10152	32.4
122.07147	3.3
122.10503	1.1
130.06551	11.7
130.07663	1.6
131.04884	1.5
132.08089	13.0
133.01852	1.4
133.02864	24.0
133.10190	1.0
135.04430	25.0
135.08054	2.7
135.11696	13.3
140.08124	0.9
140.48476	1.0
145.06487	1.0
145.10156	4.9
163.03915	97.1
163.07507	2.5
163.08685	3.2
163.09735	2.9
163.11182	14.7
163.12349	8.8
163.14828	46.8
164.04231	3.4
164.07098	2.6
177.57318	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85726	0.7
53.03950	8.1
55.05517	9.2
57.07064	1.3
65.03929	1.1
65.83870	0.7
67.05507	7.1
69.03427	1.3
69.07070	17.8
71.05042	2.0
73.02930	1.0
77.03922	2.2
79.05501	31.1
80.93151	0.8
81.03407	1.3
81.07064	46.2
82.07397	1.1
83.08627	8.3
85.69291	0.8
91.05482	12.9
92.02623	2.1
93.07050	46.0
94.07386	1.1
95.04968	6.8
95.08615	29.5
103.05520	0.8
105.03384	3.1
105.04511	3.0
105.07032	9.8
107.04955	1.7
107.08602	100.0
109.06525	1.3
109.10160	2.3
115.05523	1.3
117.07049	1.9
119.06075	1.4
119.08599	2.7
121.06512	2.6
121.10154	32.0
132.08153	1.1
133.02872	13.2
135.04427	13.8
135.08067	1.0
135.11699	10.7
145.10098	2.8
161.13297	1.0
163.03917	42.7
163.07529	1.3
163.08725	1.0
163.11151	5.9
163.14839	51.8
164.04333	1.3
164.15199	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03949	7.4
55.01855	1.0
55.05517	7.2
57.07081	1.3
60.46431	0.8
65.03934	1.9
67.05516	7.2
69.03432	1.2
69.07076	16.2
73.56636	0.8
77.03942	3.1
79.05500	29.4
80.05850	1.3
80.61501	1.0
81.07063	41.0
83.08622	8.3
85.02916	1.7
89.08279	0.9
89.82532	0.9
91.05489	10.9
92.02620	2.6
93.07053	42.1
95.04963	6.4
95.08619	26.5
95.09245	1.0
103.05486	1.0
105.03394	2.6
105.04508	3.1
105.07035	7.7
107.04958	2.3
107.08604	100.0
108.08928	1.4
109.06529	0.9
109.10162	2.1
117.07004	1.8
119.06112	1.6
119.08583	2.8
121.06487	1.3
121.10154	29.0
133.02872	15.3
135.04420	15.3
135.11702	11.0
141.26311	0.9
145.10173	1.8
163.03925	54.2
163.11269	4.8
163.14842	45.1
164.15146	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	163.1483
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02383	1.2
53.03951	6.8
55.01878	2.1
55.05519	13.5
55.56661	0.7
56.05865	0.8
56.96589	1.0
57.03434	0.8
57.07086	6.2
61.02925	1.0
61.40371	0.7
65.03943	2.3
67.05513	7.5
69.03442	2.9
69.07074	31.0
69.66351	1.5
69.66766	2.9
71.08633	0.8
72.08177	1.8
73.02921	0.9
77.03522	0.7
77.03951	2.4
79.05498	27.3
80.05019	1.9
81.03420	0.9
81.07070	11.7
82.01447	0.8
83.08627	11.5
84.08150	2.1
85.02914	1.3
89.03927	9.1
91.04906	1.0
91.05486	24.3
92.02640	2.4
93.07050	45.8
94.06578	0.9
94.07371	1.1
95.04982	10.6
95.08617	11.1
98.21537	1.6
100.02478	0.7
100.40746	0.7
103.05473	14.6
105.03401	2.8
105.04556	4.1
105.07036	23.8
106.06574	5.0
107.04964	11.1
107.08603	100.0
108.08183	0.8
108.09389	2.8
109.06547	3.6
109.10184	3.6
115.05432	1.8
117.03408	5.5
117.05784	4.2
117.07024	6.7
118.03526	1.1
118.06559	0.8
119.04951	2.0
119.06076	2.6
119.08591	16.5
119.97941	1.0
120.08108	2.1
121.06537	5.5
121.10152	96.6
122.06115	0.9
122.10428	1.5
123.08065	2.8
129.07024	0.8
130.06544	10.0
130.07780	2.2
131.04939	13.7
132.08090	12.2
133.02861	15.5
133.07639	2.3
133.10170	2.3
134.03189	0.7
135.04431	25.7
135.08069	8.0
135.11702	27.9
136.07608	2.1
145.02893	4.7
145.03877	0.9
145.06497	2.4
145.10141	10.4
147.08064	1.0
147.09152	0.8
148.08740	0.9
163.03918	72.5
163.07545	10.2
163.08636	1.7
163.11191	27.7
163.12375	9.5
163.14836	32.1
164.04387	1.6
164.07082	3.0
164.10524	1.1
164.15262	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02383	0.6
53.03949	1.8
55.05517	10.3
57.07091	1.2
60.89151	0.6
62.59121	0.7
62.94960	0.6
63.34066	0.7
65.03941	0.7
67.05515	6.7
69.07074	17.9
69.67487	0.6
71.04953	1.4
75.12515	0.6
79.05501	27.7
81.07065	44.6
82.07369	0.7
83.08621	7.1
85.02940	1.6
85.28964	0.6
91.05494	11.3
93.07053	43.9
94.07388	0.9
95.04987	1.8
95.08615	28.1
96.08961	0.8
97.02921	0.9
105.04564	0.6
105.07047	8.4
107.08604	100.0
108.08929	1.5
109.06520	1.5
109.10203	1.6
119.06091	1.5
119.08613	1.1
121.10157	28.8
133.02937	0.7
135.11711	10.0
163.03891	1.7
163.14844	49.6
164.15230	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.9
53.36370	0.7
55.05511	8.4
57.07064	1.1
67.05505	7.9
69.03419	1.0
69.07073	17.5
70.71854	1.8
71.08662	0.7
72.24085	0.6
77.03944	1.2
79.05499	30.4
81.03452	0.9
81.07062	46.5
83.08624	7.8
91.05482	11.3
92.02614	1.2
93.07050	43.2
94.07375	0.8
95.04987	4.0
95.08615	30.2
105.03385	1.1
105.04517	1.6
105.07040	8.3
107.04979	1.5
107.08601	100.0
108.08934	1.1
109.06520	1.7
109.10168	2.1
119.06055	1.3
119.08585	2.6
120.76671	0.7
121.10155	31.8
122.10498	0.7
127.25522	0.6
130.06595	0.9
133.02861	6.9
135.04434	6.6
135.11705	11.6
143.06538	0.6
146.56979	0.6
161.13268	0.7
163.03911	20.9
163.05257	1.1
163.07576	1.6
163.11212	3.8
163.14835	51.7
164.15201	1.2
178.13786	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.112
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03949	7.2
55.01881	9.3
55.05514	6.7
56.96568	9.0
57.03436	1.5
65.03941	2.1
67.05182	1.6
67.05510	19.2
69.03419	2.2
69.07056	5.6
70.94659	1.9
71.04993	1.1
77.03942	2.0
79.05497	39.7
80.05810	1.1
81.03429	7.5
81.07066	19.7
81.93497	0.9
83.04982	4.6
83.08627	4.4
88.11246	0.9
89.03909	8.9
90.73328	1.0
91.05489	24.4
93.07053	41.3
94.79909	0.9
95.04976	16.3
95.08611	3.9
97.06516	3.2
103.05472	5.4
105.03391	1.6
105.04504	3.2
105.07040	12.0
106.06548	2.0
107.02560	1.3
107.04966	15.6
107.08604	28.8
108.78208	0.9
109.06510	1.9
115.05456	2.9
116.03085	2.0
117.03391	6.5
117.05774	2.3
117.07015	12.6
119.04915	1.4
119.08595	21.7
121.06527	8.6
121.10162	14.8
128.04932	2.3
129.02277	1.7
130.06563	6.7
130.07681	4.5
131.04941	5.2
132.08086	7.1
133.02831	6.2
133.10124	1.5
135.04436	16.0
135.05431	2.0
135.08076	6.4
135.11696	20.5
136.07584	2.2
137.05421	3.6
143.08522	1.1
145.02844	4.5
145.06531	1.6
145.10132	23.5
148.06345	0.9
148.08856	1.5
153.51692	1.1
163.03917	37.7
163.07579	6.2
163.11186	100.0
163.14842	2.5
163.42960	1.2
164.04208	1.5
164.07039	1.7
165.80830	1.0
171.44453	0.8
173.01143	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	2.2
53.03950	9.8
55.01874	9.3
55.05512	10.2
56.96555	1.4
57.03424	4.2
57.07066	1.0
61.02920	1.7
63.02371	1.3
65.03928	2.8
67.05511	11.9
67.97580	0.9
69.03124	1.0
69.03439	8.8
69.07074	20.6
69.49485	1.7
69.49907	6.0
69.54762	0.9
70.06598	1.1
71.04980	1.8
72.08129	1.7
77.03921	2.9
78.95256	0.9
79.05499	48.8
80.05008	1.3
81.03420	26.8
81.07060	26.5
83.04988	3.8
83.08613	2.9
84.08128	1.9
85.02905	1.4
89.03920	12.1
91.05486	41.2
92.02615	2.8
92.05814	1.4
93.07048	67.9
94.07377	1.0
95.04980	26.3
95.08077	1.3
95.08616	13.2
97.06517	1.1
100.02461	2.2
103.05475	19.4
105.03394	3.6
105.04530	5.0
105.07036	31.1
106.06535	2.8
107.04213	1.5
107.04961	47.3
107.08602	56.5
108.08145	1.4
108.08920	1.1
109.06515	4.5
109.10146	1.2
115.05478	5.8
117.03374	9.4
117.05752	3.3
117.07019	28.6
118.06570	1.1
119.04940	5.7
119.06069	1.0
119.08590	18.8
120.05731	1.7
120.08115	1.9
121.06512	38.0
121.07394	2.1
121.10148	24.9
122.05996	1.5
128.06201	1.7
129.07016	2.9
130.06561	4.5
130.07794	12.0
131.04941	11.3
132.08070	4.7
133.02876	15.2
133.06499	1.9
133.10159	5.1
134.07320	5.3
135.04433	29.8
135.05417	1.3
135.08054	13.2
135.11697	22.7
136.07567	2.4
143.08551	4.8
145.02855	8.0
145.03909	1.9
145.06506	2.9
145.08487	8.1
145.10133	51.5
146.06026	1.3
147.08116	1.0
148.08806	2.7
161.09663	1.3
163.03915	84.1
163.07547	12.6
163.11176	100.0
163.14821	11.0
164.04306	2.1
164.07088	3.5
164.11674	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	162.0221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63943	0.2
53.03940	0.4
56.05032	0.2
57.98804	2.7
58.99590	100.0
59.99920	0.5
61.01150	2.3
69.29470	0.2
70.79543	0.5
73.01147	4.8
76.04008	7.3
79.05496	1.1
80.05028	0.3
81.07055	0.9
82.46878	0.2
84.04503	0.4
86.99058	47.1
87.99388	0.4
88.02219	11.3
89.03928	1.5
91.05466	0.6
95.04981	0.5
95.06116	0.4
98.06046	0.4
99.08109	0.6
103.05447	0.4
105.03417	0.3
105.07005	0.3
106.06564	0.6
106.07360	0.3
107.04951	1.0
107.08604	0.3
109.06523	0.8
116.01683	76.0
117.01986	0.8
117.03367	1.1
117.06980	0.3
117.09146	0.4
117.51042	0.2
118.06525	0.4
120.08084	1.4
127.07565	0.3
131.04973	0.4
133.02863	0.4
134.05994	0.8
134.09630	0.6
135.04427	2.5
144.01155	6.9
145.02852	0.7
162.02196	2.5
162.05464	2.0
162.07819	0.4
162.09106	3.6
162.10254	0.3
162.11259	0.3
163.03897	3.6
163.07478	0.3
163.11041	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76489	1.1
53.03953	9.1
55.01868	1.8
55.05497	4.7
57.03439	11.1
58.99298	1.6
58.99588	23.6
59.04996	1.1
59.99513	5.2
59.99923	10.6
60.99159	6.8
61.01128	1.8
61.02920	2.2
63.02359	1.4
63.92913	1.3
67.05486	1.6
69.03429	3.9
69.07074	1.9
70.79624	2.1
71.04989	7.7
71.08629	9.9
72.08150	3.7
74.01506	1.2
75.02705	1.6
76.03980	2.1
77.03931	1.6
78.95280	2.3
79.05493	25.3
80.05007	1.4
81.03416	2.1
81.07059	50.8
83.04991	3.1
84.08126	3.6
85.02907	5.5
85.06525	4.3
86.99059	7.8
87.98923	1.2
87.99403	8.0
88.98606	3.4
89.02499	1.4
89.03922	49.6
89.06011	1.3
91.05491	11.5
93.07042	5.8
95.04964	8.0
99.08089	19.6
103.05483	9.1
105.03380	2.0
105.04504	3.7
105.07011	6.6
106.06558	4.7
107.04964	19.3
107.08581	9.3
109.06518	32.6
110.06897	1.6
111.23358	1.1
115.05452	2.1
116.01686	4.0
117.02108	13.9
117.03379	36.0
117.05728	4.2
117.07010	5.0
117.09134	19.7
118.01257	4.1
119.04935	1.7
119.08561	1.9
119.97855	2.3
120.08141	2.2
121.06491	4.3
121.09209	1.1
121.10130	4.8
123.08088	1.2
127.07558	14.3
130.06525	8.6
130.07687	1.8
131.04941	8.5
132.08102	10.9
133.02869	9.4
135.04424	70.6
135.08058	5.1
135.11668	3.6
136.07567	2.1
140.95248	2.0
145.01627	2.0
145.02844	25.2
145.03906	2.0
145.06503	3.7
145.10138	5.8
158.96288	1.3
163.03911	100.0
163.07512	9.3
163.08615	1.7
163.11186	11.2
163.12338	10.0
164.07010	3.4
184.14600	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03945	1.4
54.59575	0.7
54.85297	0.8
55.05519	6.1
62.65127	0.9
65.03972	0.7
67.05516	5.0
69.07074	7.1
69.68700	4.1
79.02986	0.9
79.05498	9.2
80.05827	0.8
81.03362	0.9
81.07063	26.7
82.76704	0.6
83.08600	1.0
90.99540	0.7
91.05484	26.0
91.46140	0.7
93.07051	13.0
95.05001	1.0
95.08606	3.5
96.70068	0.7
97.05576	0.7
99.06381	1.2
103.05469	2.9
104.06178	0.9
105.07037	100.0
106.07370	1.3
107.08594	3.3
115.05462	1.3
117.07010	6.3
118.07826	0.9
119.08588	92.7
120.05611	2.7
120.08933	2.1
121.06388	2.5
121.10152	1.5
121.52005	0.7
124.07636	0.7
126.06274	1.1
128.06189	0.9
131.08583	4.7
132.09358	0.8
133.06516	1.1
133.10136	36.3
134.07140	0.9
134.10532	0.9
135.06667	0.7
143.08937	2.1
146.07281	0.8
146.10905	1.6
159.11710	1.9
161.06009	1.0
161.07159	1.2
161.08247	2.5
161.09660	5.5
161.13268	78.2
162.13623	1.8
165.05290	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03941	2.1
55.05315	0.6
55.05519	6.6
57.04243	0.7
65.03935	0.8
67.05511	5.7
67.67510	0.7
69.07076	7.7
71.40017	1.4
72.01493	0.8
79.05502	9.3
80.05830	1.3
81.07072	22.3
84.78693	0.7
91.05491	23.2
92.63391	0.9
93.07052	12.8
95.04980	1.1
95.08594	2.5
98.06057	1.2
99.06387	2.3
103.05467	2.8
105.07041	100.0
106.07353	1.7
107.08627	3.6
109.84077	0.7
115.05484	1.7
116.06259	0.9
117.07024	7.4
119.08592	90.4
120.08899	1.5
121.06377	0.7
121.10155	1.7
126.06352	1.9
128.06259	1.5
131.08575	6.0
132.09364	1.6
133.06493	1.7
133.10143	37.9
143.08890	2.5
146.07260	1.7
146.10947	2.3
159.11740	2.4
161.05971	2.1
161.07181	1.3
161.09630	11.6
161.13272	75.1
162.09106	1.3
162.13699	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	161.1327
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03949	1.7
55.01884	0.9
55.05511	5.9
57.44545	0.6
67.05511	7.2
69.03437	1.3
69.07072	9.0
71.39153	0.8
72.08160	0.6
78.93137	1.2
79.05497	12.4
80.05830	1.6
81.07061	24.3
89.03941	0.8
91.04902	1.3
91.05486	25.5
93.07049	14.3
95.04978	2.0
95.08608	4.4
98.06053	1.2
99.06402	2.3
103.05476	3.2
104.06235	0.6
105.07039	100.0
106.06610	0.9
106.07365	1.9
107.04948	1.0
107.08598	4.4
115.05460	1.0
117.07002	6.2
119.08588	87.3
119.95798	1.2
120.08118	1.1
120.08883	1.2
121.06516	1.0
121.10174	0.9
126.06375	3.8
128.06215	3.0
131.08585	4.6
132.09361	1.7
133.06520	1.7
133.10141	37.9
143.08754	4.5
145.06520	0.7
145.10124	1.1
146.07307	2.2
146.10930	1.8
159.11662	3.2
161.05978	1.9
161.09628	13.5
161.13266	71.9
162.05588	0.8
162.07852	0.7
162.09157	2.4
162.13635	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	161.1327
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03951	0.7
55.05516	6.2
65.03945	0.2
67.05505	0.6
69.07071	2.9
69.92748	0.2
70.06606	0.4
71.49661	0.4
72.08179	0.5
77.03947	0.3
79.05491	2.4
79.13796	0.2
80.05824	0.6
81.07059	1.7
84.04510	0.4
84.08131	0.3
89.80208	0.3
91.05489	8.8
93.07061	1.8
95.04980	0.5
97.97984	0.2
99.06402	0.5
101.00903	0.3
101.95052	0.4
103.05496	1.8
104.06254	0.7
105.03386	0.3
105.07040	22.0
107.08582	1.6
115.05502	1.6
115.06175	0.3
117.07032	3.3
118.04166	1.7
118.07789	0.5
119.01928	0.4
119.08590	100.0
119.95826	0.4
120.08135	0.4
120.08879	1.9
121.06482	0.6
121.10156	3.4
126.06346	0.9
128.06215	0.9
130.07811	0.4
131.08577	3.0
132.06786	0.3
133.06503	1.5
133.10143	21.1
134.03648	0.7
134.10498	0.3
143.08821	1.2
144.09346	0.3
145.10197	0.4
146.03633	6.4
146.07286	0.9
146.10899	1.0
159.11708	1.0
161.06000	3.2
161.07141	0.5
161.09627	5.4
161.13269	22.3
162.03105	0.8
162.05508	0.6
162.09105	0.5
162.13667	0.5
172.15968	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.8
53.12568	0.7
53.66337	0.7
55.05514	7.2
56.52150	0.7
65.03947	1.0
67.05509	5.3
69.07069	7.4
71.38757	0.9
75.68436	0.7
79.05501	8.3
81.07064	25.1
91.05491	21.8
91.05917	0.6
93.07051	11.9
95.04977	0.7
95.08627	3.3
99.06413	1.0
103.05453	1.8
105.07041	100.0
106.07375	1.8
107.08612	2.8
114.98234	0.7
115.05476	1.1
117.07012	6.1
119.08594	88.5
120.08954	2.2
121.10124	1.2
126.06352	1.2
128.06201	1.6
131.08585	6.0
132.09351	1.7
133.06500	1.9
133.10149	33.3
143.08826	1.2
145.10152	1.4
146.07263	1.1
146.10919	3.0
159.11711	2.3
161.05920	1.8
161.09659	6.9
161.13275	70.5
162.13623	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	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
50.58834	0.6
53.03935	1.1
55.05273	0.6
55.05516	7.4
65.03915	0.7
67.05505	4.2
69.07065	7.6
71.50658	0.6
77.03951	0.6
79.05493	8.7
81.07056	25.6
91.05482	21.7
93.07047	14.7
95.04993	0.9
95.08610	2.9
102.86075	0.5
103.05469	2.5
104.06277	1.4
105.07030	100.0
106.07381	1.9
107.08591	3.4
115.05461	1.0
117.07007	6.9
119.08582	90.6
120.08920	1.8
121.10137	1.1
125.88346	0.5
126.06351	0.8
128.06232	1.9
131.08588	5.5
132.09349	1.6
133.06516	1.4
133.10132	36.2
134.10498	0.8
143.08691	1.9
145.10127	1.6
146.07274	1.2
146.10896	2.3
159.11684	3.1
161.05988	2.4
161.09651	5.5
161.13261	79.0
162.13635	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	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
51.07236	0.5
53.03940	1.3
55.05513	8.7
67.05506	11.3
69.07069	9.7
69.39764	3.1
69.40182	1.7
79.05496	9.3
81.07059	23.8
91.04906	1.1
91.05482	21.4
93.07045	12.6
95.05009	0.8
95.08589	3.8
98.21442	1.3
103.05484	2.9
104.06219	0.7
105.07035	100.0
106.07343	1.0
107.08581	4.4
112.74043	0.6
115.05479	0.8
117.07001	7.6
119.08585	81.2
120.08911	1.2
121.10154	1.4
131.08572	5.7
132.09338	2.0
133.06514	0.8
133.10136	38.8
134.10454	0.8
143.08627	1.2
145.10164	1.2
146.10884	2.3
159.11714	2.4
161.05951	0.8
161.09621	4.2
161.13263	82.0
162.13602	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	161.1327
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03949	1.5
55.05517	7.8
62.17350	0.7
67.05505	4.1
69.07079	7.8
70.71942	1.6
77.03936	1.1
79.05491	9.1
81.06591	1.4
81.07065	26.2
83.08627	0.9
91.05491	20.2
93.07052	13.3
95.08614	2.6
98.21442	0.9
101.22305	0.9
103.05487	2.3
104.14787	0.7
105.07041	100.0
106.07360	1.9
107.08607	4.5
110.63955	0.7
117.07041	5.8
119.08595	99.1
120.08932	2.3
121.10152	0.9
131.08580	5.4
131.63416	0.8
132.09375	1.4
133.10147	36.6
134.10503	0.9
145.10141	1.2
146.10905	3.0
159.11740	2.7
161.13278	80.6
162.13628	2.8
166.69601	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01868	1.8
55.05512	3.5
64.52980	0.7
66.37639	0.7
67.05225	0.7
67.05515	6.3
68.05006	0.6
69.03139	0.6
69.03432	7.4
69.07069	3.3
70.06578	1.2
71.50793	0.8
74.06053	0.9
76.15230	0.7
77.03925	0.9
79.05500	8.3
80.05015	0.7
80.05832	3.5
81.07057	9.6
82.03732	0.7
84.05298	0.8
89.03928	0.9
91.05488	29.6
93.07053	9.7
95.04981	1.4
95.08601	3.5
98.06042	2.9
99.05833	0.8
99.06390	5.7
100.04794	0.7
101.94986	0.7
103.05458	2.3
105.03400	0.8
105.07038	66.6
106.07341	1.0
107.04951	2.1
107.08581	1.9
108.05280	1.3
113.02350	0.8
115.05428	2.7
116.06228	0.8
117.07005	4.6
118.06517	0.8
119.04910	0.9
119.08589	40.8
119.95757	0.9
120.08103	2.7
121.06520	15.8
121.85117	0.8
126.06345	6.0
128.06223	9.2
130.73781	0.8
131.04924	2.6
131.08577	3.6
132.05681	1.7
133.06555	5.2
133.10143	41.8
134.05994	0.8
134.09608	1.6
143.08879	12.5
145.06512	4.4
146.07278	26.9
159.08047	1.9
159.11736	0.7
161.05980	2.2
161.09628	100.0
161.13271	32.9
162.05502	2.1
162.08989	4.8
162.10284	1.2
163.98918	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01852	0.6
55.05493	1.1
67.05476	0.9
67.37135	0.5
69.03414	2.0
69.07060	1.1
71.51084	0.9
79.05490	2.5
81.07047	1.9
91.05482	7.5
93.04511	1.5
93.07047	4.3
99.06390	0.7
103.05450	0.9
105.07032	51.3
106.07365	0.8
107.04951	2.8
110.56252	0.4
115.05445	1.4
117.07017	1.8
117.57443	0.5
118.07797	0.7
119.04899	0.7
119.08588	13.5
120.05602	1.9
121.06492	19.1
126.06361	0.9
128.06250	3.8
131.04938	3.8
131.08539	2.3
132.05695	2.2
133.06506	4.0
133.10133	27.3
134.07109	1.3
139.72498	0.5
143.08585	3.2
145.06490	3.9
146.07271	30.7
147.07584	0.6
159.08086	1.6
161.08371	4.0
161.09613	100.0
161.13246	11.4
162.05389	0.8
162.10066	3.4
181.31288	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.2
56.05067	0.2
56.96566	0.2
57.03439	0.2
68.14735	0.2
68.99792	0.2
70.06606	0.4
71.35387	0.3
72.08165	0.4
80.05035	0.2
80.05838	0.6
82.01445	0.3
82.99847	5.8
83.99924	0.3
84.08150	0.6
85.02891	0.2
97.02831	0.2
98.06078	0.3
98.97578	0.2
99.06387	0.7
100.02475	0.2
101.00890	46.5
101.95012	0.3
102.00951	2.4
103.00611	0.6
105.07015	0.2
105.51652	0.3
110.01299	0.4
111.00439	0.5
114.04033	0.2
115.00628	0.4
115.02426	0.3
116.07082	0.3
118.03549	0.3
119.01929	100.0
120.02004	4.7
120.08083	0.4
121.01665	0.5
124.02446	0.3
125.02628	0.4
125.07920	0.2
126.06361	1.1
127.55114	0.2
130.53477	0.3
131.01930	0.2
133.01657	0.8
133.03482	0.7
137.02965	17.1
138.03104	0.7
142.03520	1.2
143.01920	1.4
143.03629	1.0
143.09027	1.4
144.03270	0.3
144.05194	0.2
147.04999	0.4
155.55077	0.2
157.03493	0.4
161.01166	0.3
161.01413	0.3
161.02971	6.0
161.04204	0.3
161.09995	0.4
162.03148	0.4
179.02310	0.3
179.03996	4.3
180.04111	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
71.08050	0.2
71.08406	0.3
81.61466	0.2
82.99847	7.0
83.99924	0.2
100.02571	0.2
101.00891	53.0
102.00940	1.8
111.00439	0.5
118.03548	0.2
119.01930	100.0
120.02002	3.9
121.02404	0.4
124.02538	0.3
134.48262	0.2
137.02965	16.7
138.03094	0.5
139.03439	0.2
142.03519	1.0
143.01898	0.5
143.03664	1.0
144.03209	0.2
161.02979	5.2
161.04333	0.4
162.03119	0.2
179.04027	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	159.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.0
59.94472	0.5
65.03936	0.7
66.51610	0.5
67.05516	5.0
67.97706	0.6
68.05035	1.2
69.03442	0.8
69.60907	3.6
70.06594	3.6
70.84634	0.6
71.06924	0.8
76.93375	5.1
79.05501	9.8
80.05031	1.2
81.03425	1.6
81.07059	5.2
83.04958	0.7
87.04458	0.7
87.55185	0.5
91.05485	18.4
91.06023	1.2
93.07053	2.2
94.94462	0.8
95.04988	0.7
98.06065	8.4
98.20741	0.7
99.04498	0.7
99.06364	0.6
103.05470	1.3
105.07041	19.2
105.68637	0.5
106.07373	0.5
107.04967	1.2
113.07157	0.6
114.09194	1.3
115.05453	5.2
116.06239	2.4
116.07105	1.7
117.07027	50.5
117.96009	4.1
119.08575	5.0
124.07594	1.0
125.05996	9.8
129.07010	10.9
130.07816	9.6
131.08575	78.3
132.08920	1.8
135.97052	1.4
141.01833	3.1
141.07365	1.4
142.08670	12.4
143.08575	0.7
144.05678	1.1
144.09357	11.6
152.31682	0.6
157.10162	3.4
159.08113	6.0
159.11703	100.0
160.09695	7.7
160.12050	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	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
51.88876	0.4
53.03975	0.9
55.01917	0.7
55.05548	0.6
55.11573	0.5
57.03480	0.4
59.93150	0.5
65.03981	0.4
67.05516	3.9
68.05088	1.8
69.03482	1.4
69.84742	2.2
70.06599	6.8
71.05018	0.6
71.06995	1.3
74.06108	0.7
76.93369	5.0
77.64569	0.5
79.05497	10.0
80.05074	1.5
80.05907	0.4
81.03416	2.2
81.07106	1.9
83.05030	1.5
87.04498	1.1
88.74640	0.4
91.05494	13.9
93.07089	1.1
94.94459	1.9
95.05006	1.9
95.06911	0.7
96.08157	0.8
97.06577	1.5
98.06066	15.3
99.04501	1.3
99.06457	0.6
100.07639	1.2
103.05516	1.6
105.07040	21.3
106.07380	0.5
107.04945	3.0
113.02406	1.3
113.06004	0.6
113.07183	1.1
113.07984	1.7
114.09197	2.0
115.05463	4.6
116.06253	3.1
116.07121	2.8
117.07025	29.8
117.95982	5.2
118.07410	0.6
118.96806	0.8
119.08591	9.7
123.06436	0.8
124.04834	0.8
124.07639	2.1
125.06002	14.8
128.06227	1.6
129.07016	15.6
130.07808	9.0
131.08580	61.5
132.08014	0.6
132.08943	1.1
135.97006	2.1
141.01865	4.0
141.07515	2.2
142.07759	1.5
142.08655	21.4
142.09770	1.0
143.06973	0.5
143.08557	1.3
144.05690	1.1
144.09361	24.2
157.10135	3.8
159.08075	15.9
159.11705	100.0
160.09714	16.0
160.11887	2.9
169.07507	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1172
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
50.85254	0.5
53.03944	0.8
55.05518	2.5
56.05021	0.6
56.56692	0.5
56.96563	2.2
57.07060	0.7
57.38641	0.4
59.93093	0.7
60.04536	3.8
67.05495	2.3
68.05038	1.4
69.03430	0.7
69.07063	1.2
70.02936	1.6
70.06598	13.9
70.79543	1.4
71.01355	0.7
71.04980	0.9
71.06912	0.8
71.07367	0.6
71.33690	0.6
72.08162	9.1
76.93378	4.1
79.05499	4.5
80.05011	0.9
81.03421	0.7
81.07024	0.9
84.04549	0.5
86.09716	4.4
87.05589	4.5
91.05489	4.2
94.06567	2.0
94.94438	1.1
95.04977	1.1
96.04474	0.8
96.08145	2.8
98.06059	4.7
98.09708	0.9
98.97600	11.3
99.04444	0.8
99.06415	1.1
99.43983	0.5
100.07602	1.0
103.05470	1.9
105.07038	10.4
107.04968	0.8
113.02359	1.0
113.07137	3.8
113.07895	0.8
114.05519	1.2
114.09180	9.7
115.05470	1.9
116.06290	1.0
116.07108	1.3
116.98634	4.0
117.05820	0.8
117.07040	9.3
117.96001	5.3
118.06562	1.0
118.96746	0.9
119.08595	15.5
124.04773	0.8
124.07600	1.1
125.06017	6.0
128.06224	1.9
129.07010	15.5
130.07851	2.5
131.04926	1.2
131.07050	0.7
131.08586	17.8
132.08089	2.1
134.99658	0.8
135.97008	1.5
141.01840	2.0
141.07381	2.3
142.06767	0.5
142.07761	1.1
142.08670	8.5
143.08575	2.0
144.09360	35.2
157.10152	3.0
159.04427	0.9
159.08403	4.0
159.11708	100.0
160.07576	0.9
160.09734	4.4
160.12065	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	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03938	0.4
55.01896	0.2
55.05524	0.3
56.96562	0.3
60.90097	0.2
63.01363	0.2
67.05509	1.4
68.05048	0.4
69.03439	0.3
69.80289	0.4
69.80698	1.1
70.06594	2.6
76.93369	1.5
79.05487	1.5
81.07054	0.5
83.05003	0.3
87.04443	0.2
91.05497	2.6
94.94423	0.2
96.05353	0.4
98.06064	1.8
98.97574	1.5
99.04421	0.3
100.07618	0.2
103.05457	0.3
105.07040	10.2
107.04966	0.5
113.02432	0.2
113.07120	0.8
113.07892	0.4
114.05491	0.2
115.05450	1.5
116.06310	0.4
116.07108	0.6
116.98621	0.6
117.05751	0.4
117.07026	6.6
117.95996	1.8
118.06574	0.3
118.96775	0.3
119.08587	16.1
123.06407	0.3
124.07574	0.3
125.05991	2.2
128.06227	1.9
129.07013	15.0
130.06517	0.3
130.07826	2.8
131.08575	14.9
132.08020	0.5
132.08939	0.5
134.99744	0.3
135.97003	0.3
141.01851	0.8
141.07417	1.0
142.07751	1.1
142.08659	2.8
143.08575	1.8
144.09351	35.3
145.09668	1.0
157.10143	3.6
159.08240	2.0
159.11700	100.0
160.09743	1.9
160.12032	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	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03929	0.6
54.39172	0.6
64.86134	0.7
67.05500	4.0
70.06580	0.8
71.05299	1.2
71.06927	0.7
75.24555	0.6
76.59933	0.7
79.05485	2.0
91.05480	7.9
98.06051	2.1
105.07032	21.9
113.07948	0.7
114.09184	2.1
115.05466	3.3
116.06229	1.3
117.07028	20.2
119.08583	9.3
125.06009	2.4
128.06194	1.7
129.07008	16.7
130.07796	8.8
131.08574	38.6
138.59950	0.6
141.01830	2.8
142.07765	1.9
142.08746	3.6
143.08597	1.8
144.05743	1.0
144.09355	24.9
157.10165	4.6
159.08109	3.2
159.11700	100.0
160.09700	3.0
160.12013	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	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.51712	0.4
57.92454	0.4
59.64335	0.4
67.05505	3.1
69.03416	0.7
70.06592	0.9
70.39569	1.6
74.04810	0.4
76.93359	1.7
79.05495	2.8
81.03421	0.9
81.07064	1.0
81.13445	0.4
91.05487	7.4
95.05023	0.5
95.08511	0.4
98.06064	3.7
98.97622	1.2
101.21172	0.4
103.05463	0.6
105.07040	22.2
106.07375	0.4
107.04996	0.5
113.02307	0.4
114.05495	0.4
114.09164	0.5
115.05449	2.9
116.06246	1.9
116.06992	0.5
117.07027	18.6
117.95985	1.8
118.96823	0.4
119.07815	0.3
119.08587	9.9
124.07602	0.8
125.06017	3.4
128.06233	1.3
129.07022	15.6
130.07823	7.1
131.08580	37.7
132.08885	1.2
141.01843	1.4
141.07133	0.6
141.11044	0.4
142.07748	1.3
142.08656	4.8
143.08562	1.3
144.05728	0.7
144.09360	28.4
157.10141	5.7
159.08136	3.3
159.11705	100.0
160.09732	3.3
160.11978	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	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
59.93104	0.5
65.03956	0.4
67.05511	2.4
70.06578	1.3
71.06926	0.6
74.59975	0.4
76.93368	1.5
79.05498	2.7
80.04987	0.4
81.03410	0.5
81.07055	1.0
87.04463	0.5
91.05484	5.5
95.04954	0.6
98.06043	3.6
98.20783	0.8
98.97613	0.5
100.10266	0.5
105.07036	25.0
106.07368	0.4
107.04972	0.7
115.05450	3.1
116.06232	1.3
116.07051	0.7
117.07022	15.0
117.95982	1.7
119.08576	8.5
123.06417	0.4
124.07573	0.7
125.05975	2.8
128.06232	0.7
129.07010	13.6
130.07802	7.5
131.08568	35.5
132.08890	0.8
141.01848	1.0
141.07405	0.6
142.07732	1.5
142.08652	3.2
143.08571	1.4
144.09352	25.1
145.09779	1.0
157.10146	4.8
159.08241	2.3
159.11696	100.0
160.09714	2.8
160.11977	2.4
161.70110	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.5
53.86966	0.5
56.67614	0.4
65.03930	0.6
67.05499	2.6
69.03419	1.4
70.06575	1.3
76.82845	0.4
76.93356	0.9
79.05489	2.0
81.07076	0.9
83.05003	0.4
91.04975	0.7
91.05497	7.0
92.49498	0.5
93.07076	0.5
95.04918	0.7
98.06046	1.9
103.05441	0.9
105.07040	22.1
113.05986	0.5
115.05471	3.6
116.06230	1.6
117.07026	20.6
119.08588	9.1
125.05990	2.0
128.06181	1.4
129.07014	15.3
130.07799	7.0
131.08580	39.0
132.08891	1.2
141.01833	0.7
141.07114	0.4
142.07742	1.5
142.08690	2.9
143.08574	1.5
144.09360	28.9
155.05968	0.5
157.10161	5.0
159.08092	3.2
159.11702	100.0
160.08488	0.5
160.09720	1.8
160.12006	3.6
172.88835	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
65.03941	0.7
67.05512	5.5
68.51633	0.4
69.46227	0.4
70.06590	1.0
76.93372	1.2
79.05495	3.1
81.07053	1.9
91.04916	0.6
91.05481	9.3
93.07043	0.9
95.04970	0.5
98.06035	1.5
98.20788	0.9
98.97602	1.0
103.05478	1.1
105.07035	21.4
106.07368	0.6
113.02402	0.5
115.05469	4.0
116.06234	1.3
117.07028	20.9
117.96001	1.9
118.07290	0.5
119.08584	9.0
125.05991	2.2
128.06219	0.9
129.07016	16.0
130.07805	7.6
131.08582	38.1
132.08919	0.5
141.07288	0.5
142.07770	1.4
142.08730	2.6
143.08543	1.4
144.05661	0.4
144.08202	0.7
144.09355	24.7
157.10146	4.3
159.08182	1.7
159.11702	100.0
160.09718	1.6
160.12050	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	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
50.24245	0.7
53.03942	0.8
55.05519	0.9
57.03440	1.3
65.03915	0.6
67.05506	5.8
68.05035	1.5
69.03439	1.2
70.06594	6.5
71.06932	2.1
71.50359	0.5
71.50771	0.8
76.93372	6.9
77.03936	0.8
79.05495	12.0
80.05005	1.8
81.03423	2.0
81.07056	3.9
83.04986	1.5
85.02934	0.7
87.04486	0.8
91.05483	17.7
93.07036	1.6
94.94394	1.6
95.04960	1.8
97.06525	1.4
98.06057	13.3
99.04462	2.1
99.06396	1.0
100.07577	0.8
103.05454	1.5
105.04521	0.6
105.07037	16.9
106.07332	0.7
107.04934	2.1
113.02377	1.8
113.07220	1.1
113.07976	2.1
114.09165	2.1
115.05454	6.6
116.06236	3.6
116.07104	2.8
117.07021	45.2
117.95973	7.3
119.08569	6.7
124.07603	2.2
125.06010	13.8
128.06223	2.0
129.07011	15.1
130.07797	12.9
131.08569	82.5
132.08870	1.8
135.97028	2.5
141.01862	5.9
141.07310	2.0
142.08650	23.4
142.09769	1.1
143.07056	0.8
144.05765	1.3
144.09360	15.2
157.10139	3.5
159.04420	0.9
159.08081	16.8
159.11694	100.0
160.07562	1.0
160.09695	13.1
160.11957	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	157.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18514	0.6
53.03930	0.6
53.86635	0.5
55.01842	2.4
55.05494	1.2
56.05016	0.9
56.96535	2.6
57.03410	1.0
57.07026	0.5
58.99864	4.2
60.99593	0.7
65.03911	1.2
67.01838	2.3
67.05486	2.0
67.97534	0.6
68.98255	0.7
69.03403	1.3
69.07059	0.9
70.02938	1.5
70.06599	9.0
70.99828	2.4
71.05009	0.7
71.48502	0.7
72.04490	1.6
74.02383	0.6
74.06058	1.8
74.93802	0.9
77.00922	4.8
79.05483	1.0
79.45132	0.5
79.51172	1.4
80.05023	0.8
81.03386	1.3
81.50862	0.7
82.01451	3.5
82.06609	0.5
82.99818	1.9
83.04947	2.3
83.06083	0.8
84.04495	1.3
84.08156	3.2
85.01385	2.7
85.54280	0.9
86.01472	1.0
88.51716	3.4
89.00873	2.7
89.01755	0.7
89.51569	1.3
89.58477	0.6
90.00760	0.6
90.01627	1.0
90.51459	1.4
91.05458	1.0
94.05608	0.7
94.52971	2.7
95.00888	0.7
95.01920	1.3
95.04947	1.6
96.01643	0.7
97.01446	0.8
97.02884	1.0
98.01414	1.6
98.06019	1.2
98.97581	6.4
99.01266	0.8
99.02975	2.5
100.00127	0.9
100.02493	10.6
100.51656	1.1
101.00893	17.4
101.02560	2.7
101.51557	0.5
102.00964	2.5
102.02237	2.2
103.00652	3.7
103.02453	7.9
104.02544	1.7
104.52871	0.6
105.00371	1.5
105.02184	1.1
105.07030	1.1
105.54018	2.2
107.00828	0.7
107.06381	0.7
109.52153	0.9
110.01459	3.8
110.54469	0.9
111.02926	1.2
111.04328	0.7
111.07510	0.7
111.51582	1.0
112.07600	1.0
112.51640	0.8
113.00859	1.4
114.54536	3.9
115.00597	2.6
115.02439	17.8
115.04112	1.0
115.50352	0.9
115.52149	0.6
115.96409	1.1
116.01334	1.6
116.02534	2.6
116.03764	3.7
116.51370	0.7
116.97248	1.6
116.98734	9.1
117.01281	1.0
117.02157	2.1
117.03979	3.3
118.01105	2.1
118.03547	4.9
119.01936	49.8
119.03658	2.0
119.53738	0.8
120.02011	10.3
120.03278	1.3
120.05351	11.7
120.06152	0.5
120.52133	1.0
120.54564	0.9
120.55413	2.1
120.95383	2.0
121.01649	4.9
121.03510	1.7
121.52193	2.0
121.98691	0.8
122.01387	1.2
122.02223	0.8
123.00375	5.2
123.01151	0.9
123.02230	1.7
123.04241	0.7
123.51868	0.9
124.00217	1.2
124.01082	0.9
124.52438	1.3
124.54284	0.8
125.01936	1.7
125.04460	1.1
126.01736	0.8
127.07306	0.6
127.98947	0.7
128.49977	2.2
128.54257	2.3
129.03984	2.4
129.05856	1.5
129.51990	0.6
129.55891	0.6
130.49243	2.5
130.50888	0.9
130.99210	1.9
131.01044	0.7
131.01913	10.7
131.49028	0.7
132.00865	6.4
132.01904	2.0
132.02795	1.2
132.05072	3.4
132.50854	0.7
133.00676	1.4
133.01720	10.5
133.03482	60.8
133.05060	11.5
133.54721	0.7
133.99811	0.8
134.03609	10.4
134.04892	32.4
134.07620	1.9
134.51201	1.1
134.55148	2.2
134.99898	30.8
135.03215	2.6
135.05048	2.1
136.00038	2.4
137.02974	9.7
137.51587	0.9
138.03055	2.4
138.96422	13.6
139.02553	2.4
139.03825	0.6
139.49809	1.4
139.96455	0.8
139.99706	2.7
140.02432	2.6
140.07054	1.0
141.03937	0.9
142.00055	1.3
142.01128	2.0
142.03481	2.1
142.07799	0.9
142.49811	3.0
142.98904	1.6
142.99957	0.9
143.01826	0.7
143.05606	4.9
143.51686	1.6
143.55807	0.6
144.00876	9.3
145.00734	6.9
145.03465	2.4
145.50725	0.7
145.55865	0.8
146.00656	1.1
147.01457	1.0
147.05035	1.8
148.03882	3.4
149.06645	0.7
150.06139	1.3
151.00587	1.0
151.02704	2.1
151.04547	9.4
151.06252	7.5
151.50514	0.9
151.99506	1.4
152.04643	3.9
152.05803	12.4
153.00952	18.4
154.01224	4.3
156.05061	1.2
156.97496	100.0
157.01720	2.7
157.03479	14.5
157.05403	3.8
157.97563	3.3
158.03241	0.6
158.04761	1.1
158.08334	0.8
158.09674	1.9
158.98108	0.7
160.02180	2.0
161.02940	1.1
162.99428	1.1
166.04977	1.1
170.04137	2.7
174.98570	86.7
175.03003	7.3
175.04558	13.7
175.06306	9.3
175.98671	3.2
176.02515	0.8
176.05952	1.3
176.99211	1.2
177.00981	3.2
179.00758	2.0
179.99142	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	156.1022
Annotation	Scopoline
Peak:m/z	Relative Intensity
53.03958	1.6
55.05527	2.2
55.93531	1.7
56.05046	2.7
63.86924	0.5
65.03948	1.0
67.05511	12.9
68.05035	16.1
70.06584	1.1
70.95871	28.3
71.27396	1.2
71.82154	0.5
72.81721	0.5
72.93792	16.9
73.87745	0.5
74.09701	0.6
74.31513	0.5
79.39176	0.6
80.05029	0.8
82.06586	33.0
83.06113	0.9
83.08631	1.7
84.04531	0.7
84.08157	1.0
86.09705	1.3
88.96914	3.4
90.72511	0.5
90.94836	2.7
91.05489	8.1
93.07051	52.1
94.07392	0.8
95.05001	1.4
96.04497	1.4
110.06055	7.0
110.07182	9.1
110.09689	58.9
111.09989	0.7
111.98477	10.8
112.03980	2.1
112.05267	0.6
113.96433	1.4
114.05483	0.6
114.94751	1.3
126.09132	0.9
128.07079	1.0
129.99513	2.4
130.06262	0.7
132.95839	46.1
138.09148	100.0
139.09480	1.5
150.96898	33.0
155.97481	3.0
156.04210	2.6
156.06598	3.0
156.10210	41.2
173.98447	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	156.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.6
55.05527	2.2
55.93531	1.7
56.05046	2.7
63.86924	0.5
65.03948	1.0
67.05511	12.9
68.05035	16.1
70.06584	1.1
70.95871	28.3
71.27396	1.2
71.82154	0.5
72.81721	0.5
72.93792	16.9
73.87745	0.5
74.09701	0.6
74.31513	0.5
79.39176	0.6
80.05029	0.8
82.06586	33.0
83.06113	0.9
83.08631	1.7
84.04531	0.7
84.08157	1.0
86.09705	1.3
88.96914	3.4
90.72511	0.5
90.94836	2.7
91.05489	8.1
93.07051	52.1
94.07392	0.8
95.05001	1.4
96.04497	1.4
110.06055	7.0
110.07182	9.1
110.09689	58.9
111.09989	0.7
111.98477	10.8
112.03980	2.1
112.05267	0.6
113.96433	1.4
114.05483	0.6
114.94751	1.3
126.09132	0.9
128.07079	1.0
129.99513	2.4
130.06262	0.7
132.95839	46.1
138.09148	100.0
139.09480	1.5
150.96898	33.0
155.97481	3.0
156.04210	2.6
156.06598	3.0
156.10210	41.2
173.98447	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	156.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74711	1.0
56.67443	1.2
65.27077	1.3
67.05489	1.2
69.55669	6.7
69.96148	2.6
70.06586	1.5
70.95864	33.6
72.00581	1.5
72.93418	1.4
72.93791	21.6
74.93841	1.3
80.51038	4.8
81.01091	5.2
81.50899	1.3
82.01437	4.6
82.99841	5.1
85.01390	4.1
87.52316	1.1
88.96877	3.3
89.01740	2.9
89.51565	7.8
90.01632	8.6
90.51433	3.5
90.94821	2.4
92.51871	1.2
96.34742	1.2
97.00134	1.6
97.01385	2.8
100.02486	8.0
101.00884	37.2
101.02355	3.4
101.52415	3.5
102.02216	1.6
103.02464	6.9
103.47668	1.1
104.48121	1.4
109.48076	2.3
111.48331	1.5
111.98479	13.0
112.48155	1.7
113.00881	1.1
113.98463	1.1
114.04037	21.0
114.05496	1.0
114.09164	2.1
114.94759	1.2
115.00599	4.5
115.02431	23.4
115.04098	4.6
117.98524	1.2
118.03513	1.5
118.48569	3.7
118.98428	2.4
119.01925	59.9
120.02003	1.2
120.48807	4.1
120.98899	11.5
121.03477	1.7
121.48659	5.9
126.09156	1.3
126.99100	2.0
127.49100	4.1
127.98927	2.2
129.02731	6.5
129.49370	16.1
129.99411	38.7
130.49211	19.4
131.96129	5.2
132.02010	4.7
132.05074	100.0
132.48706	1.8
132.49683	4.7
132.95805	41.5
132.99475	1.8
133.01704	12.8
133.03476	63.9
133.05070	16.2
133.06747	1.9
134.04791	2.1
137.02992	6.6
138.04033	2.2
138.49895	19.2
138.99924	40.2
139.49748	18.7
141.00105	6.2
141.50183	23.1
142.00027	10.3
142.03551	2.3
147.03777	33.8
148.00430	1.3
149.97197	3.1
150.00713	5.9
150.06116	31.4
150.50740	23.6
150.96858	41.4
151.00539	11.3
151.04547	10.3
151.06233	5.1
151.50656	2.3
155.06641	1.7
155.97377	1.5
156.02080	1.3
156.03152	2.7
156.05089	25.8
156.06358	2.7
156.10182	5.2
157.03413	3.0
165.04837	7.2
173.98482	2.8
174.06131	72.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
60.75511	1.5
70.23606	5.7
74.09721	19.8
76.84314	1.5
83.06094	3.0
87.84564	1.4
93.04536	3.0
95.06145	1.9
96.96913	3.9
101.00890	5.4
110.07179	36.5
112.05281	14.7
119.01938	6.3
130.06322	20.3
133.03491	2.1
142.03491	2.5
156.04225	100.0
156.07767	3.7
157.04561	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	156.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	4.1
55.05492	6.1
56.05050	4.7
67.05503	6.7
68.05016	17.6
69.03400	6.1
69.19630	42.4
70.06580	23.8
70.95846	5.3
71.04980	7.4
72.04508	8.3
72.93777	5.7
74.09723	19.9
82.06571	19.9
83.04942	4.4
84.04494	17.6
84.08132	17.5
86.06065	11.7
96.04488	14.8
98.06036	5.5
100.07584	6.9
101.28529	4.2
110.02412	13.9
110.06040	30.7
110.09673	17.9
111.04391	4.9
112.03964	13.3
113.08406	9.2
114.05532	6.3
114.09181	13.0
117.68575	4.4
126.09164	25.1
128.07074	19.2
130.06281	26.9
132.95830	5.8
138.05502	12.2
138.09137	9.2
141.06984	13.1
141.58685	3.7
142.07762	10.0
149.45554	3.9
150.96872	14.9
156.04228	100.0
156.05466	7.1
156.06561	28.5
156.08078	18.5
156.10201	70.4
156.11356	6.9
156.13799	5.1
157.10052	9.1
159.67302	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	156.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	2.4
68.05020	2.3
69.18843	5.8
69.19270	16.1
70.06587	9.0
70.95870	2.8
72.04516	2.7
74.09731	18.1
82.06596	7.2
82.84566	2.3
83.04942	2.4
84.04516	2.7
84.08151	6.0
86.06069	3.3
88.24119	2.1
96.96873	2.5
97.07620	2.8
110.06032	4.2
110.09679	6.1
112.05292	4.8
114.06637	2.7
114.09190	2.7
126.09151	3.8
128.07048	3.7
130.06320	23.4
132.95805	3.8
138.05540	5.0
138.09166	4.2
141.07033	3.4
142.07788	4.9
150.96912	5.6
156.04230	100.0
156.06590	7.5
156.08145	14.2
156.10231	17.7
156.13826	3.1
157.10167	3.9
174.67429	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	155.1068
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
53.03948	1.2
55.01876	3.0
55.05517	18.4
56.05853	0.5
56.46915	0.3
57.03443	3.3
57.07083	2.1
59.05013	4.0
65.03947	2.8
66.53339	0.4
67.05511	100.0
68.05849	1.2
69.03433	1.1
69.07064	2.5
69.96203	0.3
70.06598	0.4
70.95876	0.5
71.05000	4.7
71.50196	0.5
71.65405	0.3
72.93795	20.2
73.02940	0.6
79.05493	4.0
81.07063	16.9
82.06588	0.4
82.07374	0.3
83.04995	1.2
83.08627	4.6
84.04531	0.5
84.08147	0.5
85.06555	2.5
88.37965	0.3
90.94832	4.4
91.05485	5.8
93.07058	3.0
95.04990	1.8
95.08614	5.1
97.06521	0.5
98.98492	0.8
99.04462	0.6
107.08598	1.6
109.06534	1.1
109.10167	21.3
110.06048	0.5
110.07225	0.6
111.04479	1.0
111.08080	6.2
112.03970	0.3
113.06056	1.1
113.96413	12.9
115.05365	0.3
117.07038	0.4
119.08601	1.6
127.03960	0.5
127.07523	0.4
129.07016	0.5
131.96214	1.2
131.97475	5.1
132.95885	1.1
137.06017	0.4
137.09630	1.6
138.05544	0.4
149.97218	0.9
150.96942	1.1
153.07072	0.7
154.99118	0.3
155.03412	0.5
155.07088	2.0
155.08614	3.6
155.10712	1.4
155.11833	0.4
156.04201	0.4
156.06573	0.8
156.10298	0.6
174.85483	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0856
Annotation	Acenaphthene
Peak:m/z	Relative Intensity
53.03939	1.0
55.01876	0.5
55.05509	2.0
56.94289	0.4
57.03415	0.4
57.07069	0.5
64.54656	0.3
65.03930	0.5
67.05508	3.3
67.32735	0.4
68.05042	0.4
69.03420	1.0
69.07037	0.4
69.96166	0.9
70.27830	1.4
70.95860	1.5
71.04980	1.0
71.94099	0.5
72.93793	30.8
73.02902	0.7
73.93813	0.4
79.05473	0.5
81.07049	2.0
82.06582	0.7
83.04980	2.7
84.04543	0.9
84.08168	0.5
85.06600	0.4
86.06083	0.4
90.94839	7.7
93.07051	0.9
94.12086	0.3
95.04995	1.9
95.08600	1.5
96.04502	0.5
97.06528	1.1
98.98469	1.6
99.04458	1.6
100.07603	0.4
103.05477	0.7
108.95867	0.4
109.06518	0.7
109.10151	2.6
110.02397	0.5
110.06052	0.9
110.07185	1.0
111.04427	2.0
112.03974	0.7
113.05975	1.8
113.07172	0.4
113.96413	19.8
114.05563	0.4
114.09151	0.4
115.04736	0.4
115.05478	5.3
126.09210	0.5
127.03940	0.4
127.05423	0.6
127.07549	1.3
127.08578	0.4
128.06250	3.0
128.07071	0.6
129.07016	6.9
129.46123	0.3
130.06425	0.4
130.07393	0.5
131.96161	2.2
131.97438	8.8
132.95869	2.2
137.06004	0.4
137.09592	0.4
138.05516	0.4
141.07088	0.9
144.04784	0.5
145.06493	1.2
146.72031	0.4
149.97218	1.2
150.96895	1.9
152.06255	2.2
153.07007	45.0
154.07808	6.5
154.99005	1.1
155.08563	100.0
156.04205	0.4
156.06560	1.0
156.08975	2.8
156.10239	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.9776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85286	0.3
54.93837	3.8
55.05509	0.5
55.93526	0.9
58.99878	0.9
66.69976	0.4
67.05510	0.6
69.48334	2.4
69.96185	36.5
70.95876	8.5
71.94108	14.2
72.04521	1.8
72.93794	12.7
72.94209	0.7
72.94896	0.5
81.07079	0.9
82.01458	1.1
82.99864	0.5
83.04984	0.9
84.82026	0.4
85.01403	0.6
87.97233	1.3
88.96923	1.5
88.97904	0.4
89.95176	0.7
90.94833	2.6
91.01249	0.4
94.99825	0.6
95.05032	0.5
98.72049	0.4
98.98492	0.7
100.02526	1.0
101.00909	4.1
101.02571	0.6
102.02294	0.6
103.02428	0.4
110.98809	1.4
111.04456	0.7
111.98486	3.6
112.96733	0.5
113.00880	6.3
113.95128	7.9
113.96381	4.9
114.00986	1.4
114.04048	9.4
114.04741	0.3
115.02441	1.0
118.03547	0.5
119.01926	7.0
120.02099	0.4
127.03998	0.5
129.04010	0.5
129.71527	0.5
129.99492	1.0
131.01923	14.3
131.53181	0.7
131.96162	100.0
132.02034	4.8
132.05084	43.9
132.95847	12.0
133.03474	3.5
133.05095	0.5
137.02972	0.9
137.05896	0.4
138.00121	0.6
138.49919	0.5
145.03462	0.7
147.03806	2.1
149.02968	1.9
149.97218	84.7
150.06140	16.8
150.96892	11.7
151.04524	1.0
154.97745	4.0
155.01921	3.4
155.03555	1.5
155.07031	2.0
155.09016	0.4
155.97437	0.9
156.05084	1.8
159.17084	0.4
167.98279	4.1
172.98813	3.4
173.03032	2.8
174.06152	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	153.1276
Annotation	Geranial
Peak:m/z	Relative Intensity
53.03949	2.7
55.01876	29.8
55.05516	25.0
56.96573	9.7
57.03439	4.0
57.07075	4.7
59.04998	3.0
62.75536	0.6
65.03946	12.0
67.05508	21.1
68.05033	0.8
68.05822	0.7
68.96342	0.5
68.99816	0.9
69.03431	5.3
69.07073	21.2
70.06621	1.3
70.94258	7.1
70.95868	1.2
71.03236	1.1
71.05002	7.3
71.94107	3.2
71.95279	1.2
72.08157	0.9
73.06556	0.9
79.01852	1.2
79.05499	26.7
80.05038	0.7
81.03419	1.4
81.07060	20.5
82.06612	0.8
83.04986	100.0
83.08627	11.1
84.04536	0.6
84.05317	1.1
84.08120	0.7
85.06560	2.9
85.12476	0.5
87.04475	1.3
88.95314	1.7
88.96915	0.8
90.74287	0.5
91.05482	10.0
93.03416	6.1
93.07050	28.6
95.04977	7.8
95.06113	1.0
95.08612	18.4
96.05764	0.6
97.02886	1.5
97.06538	44.0
97.10172	1.3
98.06896	0.6
100.07617	0.7
105.04519	1.6
105.07055	4.0
107.02593	0.9
107.04961	5.9
107.08598	30.9
108.03339	0.6
108.04488	1.3
108.08139	1.3
108.08901	0.7
109.02938	0.6
109.06535	4.8
109.10164	12.3
110.03660	2.3
111.04451	14.4
111.05598	0.8
111.08085	21.6
111.11709	1.0
111.96876	4.2
112.07631	1.4
112.96735	0.9
113.04317	0.5
116.03091	1.3
117.07038	1.3
119.06119	1.0
119.08604	0.8
121.06520	0.6
123.11728	1.0
125.02438	0.6
125.06010	8.6
125.06923	1.0
125.09638	20.2
126.05535	1.1
126.09167	0.9
126.10069	0.7
128.04945	0.9
129.97919	2.4
130.96312	0.6
133.04106	1.1
135.04427	3.1
135.08054	6.3
135.11693	11.7
136.03935	1.2
136.07587	3.8
142.04680	0.6
148.97391	0.9
152.06189	1.2
153.01892	2.7
153.04224	0.9
153.05484	5.2
153.06926	7.0
153.09123	11.4
153.12758	54.2
154.04977	2.9
154.08675	2.3
154.12192	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	153.1275
Annotation	Geranial
Peak:m/z	Relative Intensity
53.03941	3.0
55.01875	31.7
55.05513	21.3
56.05856	0.7
56.86763	0.6
56.96565	2.2
57.03442	4.8
57.07077	2.9
58.33027	0.6
59.05002	1.9
65.03941	8.5
67.05508	20.6
68.05057	0.8
68.99796	10.1
69.03433	5.2
69.07072	18.2
70.06573	0.7
70.94263	9.3
70.95865	2.3
71.04995	5.7
71.50124	0.6
71.94102	4.2
71.95296	0.7
74.97597	0.6
77.03942	0.8
79.01830	0.8
79.05496	27.5
80.05031	0.9
80.05804	0.6
81.03422	31.7
81.07056	19.6
82.06597	0.6
83.04984	100.0
83.07364	1.0
83.08150	0.5
83.08614	10.9
84.05297	1.6
84.08138	0.8
85.02904	1.7
85.06557	2.8
85.10169	1.5
87.04467	0.7
88.95310	2.7
91.05486	8.9
93.03426	5.0
93.07050	27.5
94.04220	0.7
95.01329	0.6
95.04966	5.3
95.06089	0.7
95.08612	9.9
97.02888	1.2
97.06533	40.3
97.10162	0.7
98.06869	0.5
100.02490	0.6
105.04503	0.7
105.07039	2.1
107.01347	0.6
107.04967	7.9
107.08600	24.4
108.04451	0.6
108.08094	1.1
109.06513	5.8
109.10164	10.3
110.03654	1.6
111.04443	10.4
111.08085	11.0
111.96888	4.2
112.96709	1.5
115.05491	0.7
115.77225	0.5
117.07014	1.8
119.06059	0.6
123.11691	1.1
125.06001	4.8
125.09628	5.5
126.05498	0.9
126.09122	1.3
129.97899	3.6
130.97835	0.6
132.51422	0.6
135.04478	2.7
135.08083	5.9
135.11703	8.5
136.03934	1.1
136.07613	2.7
148.97333	0.9
152.06210	0.6
153.01831	1.5
153.05460	5.6
153.06705	3.4
153.09140	10.9
153.10191	1.2
153.12749	48.1
154.05017	2.5
154.08626	3.4
154.13100	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	(+)-cis-p-Mentha-2,8-dien-1-ol
Peak:m/z	Relative Intensity
53.03945	2.7
55.01869	2.8
55.05516	14.2
57.03451	4.7
57.07083	1.9
59.04998	1.4
65.03942	5.1
67.05509	30.3
68.99784	2.7
69.03441	3.8
69.07074	54.9
70.01234	3.0
70.01638	1.7
70.06577	0.7
70.94263	5.0
70.95858	2.4
71.05003	4.0
71.94110	6.6
71.95261	1.5
76.60683	0.6
79.05496	32.5
80.05008	1.1
81.03449	1.7
81.07063	39.9
82.07386	1.0
83.04982	7.9
83.07378	1.2
83.08629	6.7
85.02895	1.0
85.06541	2.8
88.95303	1.5
91.05488	7.4
93.03431	4.6
93.07050	49.9
94.03674	0.7
95.04960	3.5
95.08616	22.1
97.02876	0.8
97.06535	23.5
101.46146	0.7
105.04530	1.0
105.07043	2.1
107.04986	3.8
107.08604	55.3
108.04443	0.8
109.06524	1.9
109.10162	38.8
110.03668	2.1
110.10420	0.7
111.04488	9.0
111.08081	8.1
111.11705	1.1
111.96880	2.9
112.04773	1.0
112.96737	1.3
125.06016	6.8
125.09631	1.6
126.06345	2.2
129.97954	1.9
135.04494	1.2
135.08067	2.0
135.11699	100.0
136.07573	1.8
136.12042	1.3
138.05052	2.4
146.29662	0.7
152.99393	0.7
153.01874	1.1
153.04245	1.0
153.05539	5.9
153.07567	6.4
153.09126	3.1
153.12753	73.6
154.05026	2.8
154.08665	1.8
154.13091	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	153.0912
Annotation	2,6,6-Trimethyl-2-cyclohexene-1,4-dione
Peak:m/z	Relative Intensity
53.03949	2.3
55.01868	1.6
55.05511	3.9
56.96554	0.8
57.03429	1.0
59.04987	1.5
65.03936	6.7
67.05503	4.9
68.96324	0.7
69.03426	2.6
69.07065	3.1
69.55959	2.8
70.06578	0.6
70.94263	4.6
70.95872	0.8
71.04998	1.3
71.94096	1.5
79.01856	0.5
79.05498	9.6
81.03425	1.3
81.07067	5.5
82.06588	0.8
83.04995	4.5
83.07333	0.9
83.08618	1.9
84.04556	0.5
84.08116	0.6
87.04471	0.6
88.95293	1.1
91.05483	9.1
93.03413	5.7
93.07047	21.9
94.04183	0.8
95.04970	20.1
95.08596	2.4
97.02879	0.7
97.06517	4.6
105.04506	0.7
105.07014	1.8
107.04945	2.0
107.08597	13.5
108.04459	0.8
108.08131	0.7
109.06528	4.7
109.10136	2.6
110.03658	1.9
111.04454	8.0
111.08083	100.0
111.96878	2.9
112.08430	1.7
115.05444	0.9
117.07028	2.3
119.06030	0.8
125.06001	6.0
125.09641	3.2
126.05546	0.7
126.09181	1.2
129.97931	1.1
130.96272	0.8
135.04416	1.3
135.08067	16.8
135.11691	2.5
136.03905	0.6
136.07570	1.8
148.97337	0.7
153.01863	1.1
153.04234	0.7
153.05466	3.1
153.06650	2.2
153.09111	45.2
153.10168	1.7
153.12662	3.1
154.04985	1.6
154.08501	2.8
154.09692	0.6
157.79204	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0913
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
53.03951	2.2
55.01875	5.7
55.05517	8.1
56.96564	1.0
57.03436	1.3
57.07077	1.1
59.05010	2.0
65.03942	6.5
67.05508	4.5
68.05038	1.3
68.96325	1.1
68.99801	0.7
69.03433	4.0
69.07081	4.0
69.78320	3.2
70.06598	0.9
70.94261	5.6
70.95867	1.7
71.04974	1.5
71.94108	1.5
72.03190	0.6
79.05496	13.4
81.03419	1.3
81.07059	6.7
82.06605	0.9
82.07407	0.7
83.04996	6.4
83.06124	0.7
83.07360	0.6
83.08620	3.1
84.08158	0.7
84.24470	0.5
85.02898	0.7
88.95302	0.8
91.05490	10.9
93.03410	4.1
93.07050	22.6
94.06601	0.8
95.04975	14.6
95.06060	0.8
95.08613	2.0
96.08164	0.8
97.02903	0.9
97.06538	4.9
105.04518	0.9
105.07076	3.0
107.04973	4.3
107.06110	0.9
107.06849	0.7
107.08605	15.7
108.08086	1.0
109.02871	0.7
109.06525	5.8
109.10165	3.0
109.98946	0.7
110.03584	2.5
111.03734	0.9
111.04462	9.2
111.05612	2.6
111.08089	100.0
111.96883	2.3
112.08436	1.3
115.05456	1.6
117.07028	2.3
119.06046	0.6
121.02844	0.8
123.08115	1.1
125.06012	5.2
125.09651	5.3
126.05538	1.0
126.09176	1.4
129.97902	1.1
130.96347	1.4
135.04451	2.3
135.08060	17.8
135.11682	1.5
136.03928	1.1
136.07571	2.3
138.06862	0.5
148.97350	1.1
153.01871	1.5
153.04056	2.2
153.05470	3.5
153.06631	2.4
153.09114	48.5
153.10143	1.9
153.12727	2.0
153.14743	0.8
154.02504	1.9
154.04996	1.9
154.08548	2.9
161.79530	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0409
Annotation	Xanthine
Peak:m/z	Relative Intensity
53.50970	0.3
55.01860	0.8
55.02997	3.6
55.05514	1.4
56.05053	0.4
56.96571	3.4
57.03440	1.7
58.99877	0.7
59.05010	0.3
61.02938	0.7
61.38598	0.3
64.73613	0.3
65.03948	3.1
66.04749	0.3
66.92123	0.3
67.05514	1.2
68.05041	1.0
68.46013	0.3
68.96344	1.2
68.99782	0.4
69.03449	2.3
69.05833	0.4
69.07085	0.9
70.06599	4.2
70.94286	0.9
70.95872	0.4
70.98093	0.6
70.99855	0.5
71.01359	0.3
71.05009	0.4
71.48851	0.5
71.94109	0.6
71.95251	0.4
73.02914	1.3
79.05497	2.4
80.05038	1.4
81.00911	1.4
81.03432	1.6
81.07082	0.9
82.01455	1.2
82.04070	3.3
82.06596	0.7
83.02478	0.7
83.04987	1.6
83.06115	0.4
83.07368	0.7
84.04527	0.6
84.08162	1.9
85.01418	0.8
85.02921	1.4
86.01514	1.3
86.06081	0.4
87.04463	0.5
89.00811	0.5
91.05494	1.1
92.04784	0.3
93.00916	0.8
93.03412	2.0
93.07056	1.1
94.02706	0.4
94.04195	0.4
94.06593	0.7
94.99880	0.3
95.04993	0.9
95.06097	3.3
95.08605	0.5
96.08143	0.5
97.01443	0.5
97.02911	1.3
97.04832	0.4
97.06567	1.7
97.07697	0.4
98.06061	0.8
98.97604	0.8
98.99436	0.5
100.02486	2.3
101.00897	2.2
102.01001	0.3
102.02327	0.7
103.00671	0.5
103.01305	0.4
103.02470	1.4
103.54800	0.4
104.02597	2.4
105.00282	0.4
105.02209	1.1
107.03456	0.4
107.04971	2.3
107.06080	0.5
107.08615	1.1
107.99886	0.4
108.01962	1.2
108.04485	1.2
108.08083	0.7
109.02853	0.7
109.06548	0.9
109.10120	0.4
110.03541	57.1
110.97525	0.4
111.03067	0.9
111.03886	0.6
111.04494	3.2
111.05611	0.4
111.08086	0.4
111.96941	0.6
111.99462	0.6
112.07635	1.0
112.08772	0.8
112.99130	0.5
113.00888	4.2
113.01669	0.6
113.04362	0.5
114.02473	0.4
115.02464	1.1
116.98612	0.4
117.02139	0.4
117.02917	0.6
118.03532	0.7
118.06517	0.4
119.01928	3.3
119.03754	0.4
120.02011	0.5
121.01668	0.7
121.03568	0.7
122.03638	1.3
125.04369	0.8
125.06013	3.0
126.05518	0.8
126.09199	0.6
127.01568	0.4
127.05505	0.4
128.04578	6.6
129.00381	0.8
129.03996	0.4
130.00502	2.2
130.04242	0.4
130.96309	0.9
131.00220	0.9
131.01918	13.5
131.05569	0.7
133.03511	0.5
134.03616	0.4
135.03043	2.1
135.04428	1.3
135.06380	0.7
135.08128	0.5
135.09253	0.6
136.01439	61.5
136.07610	1.7
136.08655	0.5
137.01816	0.4
139.01678	0.4
141.05261	0.6
141.56369	0.4
142.03564	0.7
143.01918	1.0
145.03491	0.7
147.01414	1.6
147.05049	0.6
148.01517	7.8
148.05190	1.5
148.97374	1.5
149.01088	1.7
149.02914	1.5
149.04796	0.6
149.06587	0.7
153.04095	100.0
153.10129	2.0
153.12793	0.7
154.02489	54.6
154.03453	2.8
154.04654	1.8
154.05075	1.7
154.08627	1.8
157.03526	0.5
161.02951	1.1
163.06134	0.5
171.03165	4.2
171.04823	0.6
172.02806	0.9
172.04488	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0568
Annotation	Guanine
Peak:m/z	Relative Intensity
55.02990	0.8
57.03427	0.7
69.63647	1.2
69.64050	0.7
85.01405	0.5
90.71281	0.3
97.01389	0.7
100.02461	0.5
101.00896	0.6
103.00639	0.7
103.02438	0.5
107.03573	0.7
109.05123	2.0
110.03537	14.6
115.02445	0.3
119.01914	0.9
121.01672	0.5
124.07584	0.3
125.68001	0.3
128.04597	3.0
129.00368	0.7
129.03989	0.4
133.03459	0.5
134.04630	1.2
134.05995	0.5
135.03033	32.1
136.01454	0.7
136.03366	0.4
147.01411	1.3
147.04990	0.5
152.05687	100.0
153.04088	23.1
153.06079	0.9
154.02525	0.8
170.03018	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1482
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
53.03948	1.7
55.01878	0.8
55.05513	6.3
57.07080	17.4
59.04990	0.7
60.10406	0.7
62.66878	0.6
65.03954	1.1
67.05511	40.7
68.05833	1.1
69.03438	2.3
69.07076	10.0
69.53988	2.9
69.54401	1.0
71.08639	5.6
79.05494	6.5
81.03432	1.3
81.07061	41.3
83.08617	2.8
84.09020	0.7
91.05486	4.8
93.07060	9.3
94.63284	0.6
95.04980	3.9
95.08614	100.0
96.08970	1.5
104.80759	0.6
105.07041	8.2
107.08611	6.3
108.09391	0.9
109.06541	8.2
109.10165	78.1
110.10479	1.2
121.06510	1.9
121.10173	1.4
122.07291	0.9
123.04433	0.9
123.08078	10.1
123.10844	1.0
123.11722	9.5
133.10132	2.9
135.08031	2.6
136.08861	10.8
151.02852	1.1
151.03929	1.9
151.07538	2.5
151.11197	77.7
151.14824	17.1
152.11526	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	151.112
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03936	1.2
55.05519	4.2
56.96543	0.6
57.03442	0.7
57.07082	1.7
57.07312	0.3
59.04980	0.5
65.03938	1.3
67.05511	11.6
69.03445	1.8
69.07079	2.5
71.04978	0.3
71.21810	0.8
77.03925	0.6
79.05071	0.6
79.05499	8.7
81.03419	1.1
81.07063	34.2
82.07365	0.5
83.04990	0.8
91.05492	7.3
93.07047	6.8
95.04974	5.2
95.08618	6.5
96.04536	0.4
96.05764	0.8
96.08140	0.4
97.06535	0.4
103.05523	0.4
105.04533	0.4
105.07044	12.1
107.04971	0.5
107.08604	4.3
108.09424	0.5
109.06529	6.7
109.10166	4.5
115.05484	0.4
118.07808	0.7
119.04967	0.4
121.06474	0.8
121.10158	1.3
122.48465	0.3
123.04382	0.4
123.08075	3.2
123.11710	3.1
124.03916	0.3
124.07593	0.4
131.08562	0.6
133.06488	0.8
133.10135	3.1
136.08827	1.9
151.03914	1.5
151.07674	3.3
151.11197	100.0
152.05885	0.3
152.07057	0.6
152.11609	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	151.1119
Annotation	CARVONE
Peak:m/z	Relative Intensity
53.03957	4.6
55.01878	1.0
55.05515	100.0
56.05849	1.1
56.96550	0.4
57.03440	1.1
57.07077	3.1
59.05012	2.5
63.00037	0.6
65.03954	1.7
67.05508	19.5
68.05859	0.5
69.03449	1.9
69.07066	3.5
70.89204	1.0
71.04996	1.1
71.08660	0.7
79.05496	10.6
80.05890	0.5
81.03429	1.4
81.07060	33.4
82.07393	0.5
83.04996	0.7
83.08614	0.9
91.05486	7.4
93.07053	8.5
95.04980	11.8
95.08616	13.7
96.04489	0.7
96.05766	0.4
97.05922	0.9
97.06538	15.5
98.65522	0.4
105.03352	0.5
105.07036	12.6
107.05000	0.5
107.08602	11.2
108.09392	0.9
109.06525	13.4
109.10164	21.1
110.02480	0.5
110.07300	1.7
111.04411	0.5
112.03986	0.7
119.06128	0.5
121.06514	0.5
121.10149	1.0
122.07303	0.5
123.04476	0.8
123.08082	5.3
123.11719	10.1
124.03940	0.9
124.07574	0.6
124.12045	0.5
125.09625	0.6
133.06511	1.2
133.07562	0.7
133.10139	3.9
134.05998	0.8
136.08807	0.8
151.02823	1.0
151.03928	2.1
151.04979	0.8
151.06340	0.8
151.07555	3.7
151.08696	1.1
151.11201	19.2
151.14842	1.0
152.03409	0.7
152.05698	1.4
152.07050	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0755
Annotation	Methyl phenylacetate
Peak:m/z	Relative Intensity
53.03954	1.2
55.01884	1.0
55.05528	0.7
56.96566	2.7
57.03450	1.0
57.07082	0.4
58.99890	0.4
64.44023	0.3
65.03947	5.7
67.05515	1.7
68.05045	0.5
68.98293	0.3
69.03446	1.2
70.06599	1.3
70.99865	0.5
71.49361	0.5
71.95267	0.5
73.02187	0.3
73.02935	0.4
75.27386	0.3
77.03929	0.3
78.03501	0.4
79.05505	2.5
80.06266	1.4
81.03420	1.0
81.07076	1.2
82.01428	0.8
84.08154	1.7
85.01431	1.5
85.02899	0.5
86.99345	0.3
88.02676	0.4
89.06036	0.9
90.01546	0.5
90.02459	0.5
91.05487	100.0
92.05812	1.8
93.07045	1.0
94.06569	0.8
95.01651	1.0
95.04971	9.2
95.06913	1.0
95.08615	1.0
96.04494	1.2
97.02906	0.5
98.97589	2.1
100.02487	1.5
101.00885	1.8
101.02611	0.3
102.02351	0.5
102.53152	0.5
103.02456	3.3
103.05441	0.5
105.00383	0.4
105.03400	0.4
105.04555	0.5
105.07033	2.0
106.06556	0.6
107.04967	1.0
107.08565	0.4
108.05782	1.4
108.08150	0.8
109.01369	0.8
109.06521	0.9
109.10187	0.4
110.01359	0.4
110.02219	0.5
110.03519	1.2
110.06081	0.3
110.09666	0.3
110.97554	0.4
110.99306	1.3
111.53648	0.9
112.03972	1.6
112.07614	1.6
113.00857	0.4
115.02412	0.7
116.02184	0.3
116.98634	0.5
117.04031	0.6
118.01894	0.4
119.01948	2.3
119.04950	53.6
120.05286	1.0
121.03456	0.7
121.06503	0.3
122.06055	0.4
123.04413	0.7
123.06329	0.6
123.08073	1.4
123.09180	0.3
124.03957	1.8
124.07574	0.5
128.01923	0.5
128.98624	0.5
129.00339	1.9
129.03966	0.5
130.08670	1.0
131.01950	0.6
132.95845	0.3
133.03453	1.2
133.06520	0.3
133.07599	0.5
133.10101	0.7
134.03534	0.3
134.06035	0.8
135.03004	2.0
135.05107	0.6
136.05205	9.4
137.02882	0.5
137.05988	3.4
140.03342	0.7
142.70551	0.3
143.01834	0.6
144.05057	0.5
145.03439	0.4
146.03592	1.1
146.99608	0.4
147.01399	5.8
147.03162	0.5
147.05013	0.7
151.02768	0.5
151.03894	1.0
151.05933	1.6
151.07530	37.9
151.11162	1.0
151.12248	0.5
152.02077	0.6
152.03435	1.3
152.05664	6.9
152.07002	3.6
152.10635	0.5
153.04099	1.7
157.03496	0.3
161.02992	0.5
161.05089	0.4
164.04604	0.4
169.03279	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0393
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
50.01593	0.7
51.02387	1.6
52.42262	0.4
53.00303	0.3
53.03712	0.7
53.03952	9.6
55.01879	2.6
55.05517	5.4
56.96559	1.5
57.03441	1.0
57.07062	0.6
59.04971	0.3
60.90776	0.4
65.03938	5.2
67.05511	24.9
68.05027	0.4
68.99780	0.5
69.03424	0.9
69.07062	0.7
71.05018	0.5
71.49672	0.5
77.03937	4.9
79.05503	10.1
80.05013	0.4
81.03430	2.4
81.07066	6.5
82.06579	0.6
83.04963	0.7
84.08160	0.7
87.46553	0.4
91.05487	7.1
93.07053	3.4
94.04203	0.4
95.04977	33.7
95.08619	4.6
96.04485	0.9
97.06535	0.9
98.97588	0.7
101.82568	0.4
105.03409	9.3
105.04506	5.8
105.07029	7.4
106.06568	1.0
106.21342	0.4
107.04967	7.0
107.08597	4.0
108.02100	1.4
108.05723	0.7
108.08094	0.5
109.02912	0.4
109.06528	4.1
109.07658	0.5
109.10155	3.1
110.06055	0.5
112.03983	1.5
119.04940	1.8
121.02902	0.6
123.04436	7.5
123.08102	4.2
123.09032	0.7
123.11727	2.3
124.03955	2.2
124.07629	0.8
128.02351	0.7
133.02907	2.6
133.06529	1.8
133.10147	2.4
134.06029	0.5
140.03468	0.7
141.05507	0.4
151.03922	100.0
151.04951	4.3
151.07541	5.1
151.08678	2.1
151.11215	7.0
151.12341	1.2
152.01747	0.5
152.03403	1.4
152.04301	1.8
152.05714	1.0
152.06999	3.0
152.10721	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	0.6
51.02384	2.3
51.60183	0.5
53.00311	0.7
53.03710	0.7
53.03947	10.0
55.01879	2.8
55.05515	11.0
56.96553	2.0
57.03430	1.0
59.04988	0.7
65.03653	0.6
65.03944	6.2
67.05510	28.8
68.05022	0.7
68.99788	0.6
69.03412	1.3
69.07079	1.0
70.06587	0.6
71.05003	0.7
71.49680	0.5
72.93813	0.5
77.03938	4.4
79.05497	16.0
80.05008	0.7
80.67410	0.4
81.03419	2.8
81.06588	0.8
81.07059	12.4
82.06581	0.7
83.04981	1.3
84.08138	0.9
85.02892	0.6
85.06535	0.5
91.04908	0.7
91.05483	10.1
93.07051	6.7
95.01346	0.7
95.04975	34.5
95.08601	6.3
96.04494	1.2
96.05307	0.5
96.08118	0.9
97.06546	2.0
97.08388	0.5
98.97595	1.2
103.05452	0.9
105.03405	11.7
105.04494	5.5
105.07038	11.5
106.06557	2.1
107.04962	6.0
107.08596	5.9
108.02074	0.7
108.04516	1.1
108.05766	0.6
108.08114	1.2
109.05310	0.7
109.06528	6.0
109.10155	3.6
110.06046	0.5
112.03962	1.6
116.98677	0.6
119.01843	0.7
119.04959	2.2
121.02892	0.7
121.04009	0.4
121.06507	0.5
123.03523	0.5
123.04451	8.8
123.08083	6.3
123.09030	0.8
123.11739	2.4
124.03975	2.8
124.04742	0.4
124.07596	1.8
124.08414	0.5
128.02307	0.6
128.98598	0.5
133.02876	2.5
133.03796	0.5
133.06479	2.6
133.07449	0.5
133.10132	4.5
134.06021	1.3
140.03438	0.8
141.05479	0.8
151.03918	100.0
151.04930	3.6
151.07545	8.3
151.08678	2.9
151.09685	1.0
151.11192	8.5
151.12292	1.8
152.01672	0.6
152.03409	1.9
152.04327	1.5
152.05721	1.2
152.07014	4.8
152.07930	0.4
152.10732	1.4
154.02652	0.5
169.03523	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0552
Annotation	5-Hydroxyoxindole
Peak:m/z	Relative Intensity
53.03953	4.8
55.01869	0.7
55.05516	0.6
56.05042	3.3
56.96578	2.2
57.03455	0.5
58.99889	0.6
61.01152	1.4
63.07803	0.4
65.03947	5.8
66.04274	1.2
67.05515	27.3
68.05045	0.6
68.98293	0.5
69.03431	1.3
69.20776	0.4
70.06585	0.6
70.44289	1.4
70.52925	0.5
72.93784	2.6
74.02443	0.5
77.03923	0.8
79.05499	4.5
81.03414	2.1
82.01447	1.5
84.04498	0.6
84.08140	1.3
85.01421	0.5
85.02906	0.6
90.02469	0.5
90.94833	2.3
90.97787	0.5
91.05490	18.7
93.05803	2.2
93.07043	0.5
94.06578	75.8
95.01652	1.0
95.04992	4.2
95.06915	1.3
96.04489	1.6
98.06068	0.7
100.02510	2.4
101.00897	1.7
102.05515	0.6
102.53135	1.2
103.54784	0.8
104.05312	1.4
105.04568	0.6
105.07031	0.7
106.06570	20.7
107.85511	0.4
108.04505	0.9
108.05668	0.7
108.08105	1.4
109.01360	0.5
109.05167	1.6
111.53605	0.8
112.07623	4.0
113.07960	1.2
114.04027	0.4
115.01189	0.5
115.02432	1.7
118.03535	0.8
119.01943	1.7
119.04955	8.8
122.03214	1.5
122.06042	39.1
122.09653	0.9
123.08050	0.7
124.02496	0.5
127.02385	2.1
130.08684	1.0
133.03424	1.4
133.05086	4.3
136.05214	1.8
137.05962	0.5
145.02647	0.3
145.03484	11.5
148.03955	1.8
150.02899	4.4
150.05527	100.0
150.07750	45.7
150.09109	4.3
150.12706	0.5
151.03972	0.5
151.05913	1.8
151.07536	7.4
151.08665	0.7
156.03334	1.2
157.03726	0.6
158.06693	2.1
163.04546	4.8
168.05215	1.1
168.06566	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	149.1326
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
53.03951	7.3
55.01878	1.9
55.05513	11.6
57.07052	1.4
58.15923	1.1
63.41273	1.2
65.03947	28.6
66.04247	1.3
67.05502	5.8
69.07070	19.1
69.25089	2.7
69.25491	8.5
70.11435	1.4
79.05080	2.4
79.05503	25.9
81.07063	40.4
91.05485	27.1
93.03400	6.9
93.07052	100.0
94.07382	2.8
95.04987	4.2
95.08630	7.1
98.20821	3.3
100.71431	1.3
103.05489	2.0
105.04530	3.2
105.07050	10.5
107.04902	1.4
107.08607	59.4
108.08894	1.4
109.06536	1.8
110.80627	1.4
111.04465	3.9
119.06091	2.4
121.02876	35.9
121.03989	11.7
121.06513	3.5
121.09338	2.7
121.10156	27.8
128.64548	1.4
131.08514	2.9
149.02356	62.8
149.05980	1.8
149.09647	3.8
149.12061	2.1
149.13269	35.0
150.02713	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	149.1327
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03941	2.4
55.01868	2.8
55.05527	4.7
57.48685	1.0
65.03948	51.5
66.80954	1.0
67.05511	3.3
69.07076	6.9
70.73920	1.5
70.74239	1.3
79.05503	13.7
80.02631	1.8
81.03419	1.4
81.07061	16.7
91.05489	10.4
93.03405	9.8
93.07054	36.0
94.07327	1.7
95.04998	1.5
95.08630	3.3
98.03675	1.1
105.04511	1.3
105.07040	4.1
107.04955	3.1
107.08608	23.0
111.04460	6.1
119.08660	1.2
121.02879	58.9
121.03987	21.7
121.06496	2.3
121.10133	9.1
122.03220	1.3
131.08542	1.1
143.45378	0.9
149.02359	100.0
149.09639	4.6
149.10696	1.0
149.13251	11.3
150.02715	2.1
150.03761	1.0
150.05510	0.9
150.09161	1.7
150.67723	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1327
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03938	3.2
55.01867	2.0
55.05516	5.8
60.12857	1.3
65.03948	60.8
67.05515	2.4
69.07077	6.1
71.28008	2.4
72.66058	1.0
79.05505	11.7
81.07069	16.9
91.05491	15.7
92.83097	1.1
93.03420	10.7
93.07055	48.9
95.04983	2.4
95.08601	2.6
98.03667	2.0
105.04550	1.5
105.07050	3.7
107.08611	27.7
108.04576	1.1
111.04457	4.8
119.08558	1.3
121.02882	59.1
121.03989	25.3
121.10152	10.3
122.03179	1.6
149.02361	100.0
149.08199	1.8
149.09653	1.7
149.13292	13.5
150.02686	3.5
158.97552	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03940	2.0
55.01858	4.3
55.05504	3.5
57.07065	2.1
65.03944	49.2
66.04296	1.1
67.05490	2.6
69.07059	3.8
69.59607	5.9
73.57906	1.0
77.03896	1.0
79.05495	16.8
79.55350	1.0
80.02584	1.2
81.07044	2.0
81.51496	1.2
91.05481	20.6
93.03410	8.6
93.07047	21.3
95.04951	2.7
98.03637	1.6
98.21593	1.3
102.70027	1.2
103.05472	3.3
105.04484	1.3
105.07035	32.1
105.10764	1.1
106.07812	1.6
107.08598	36.1
109.06498	1.7
111.04450	5.8
119.08586	11.0
120.09410	1.3
121.02873	52.1
121.03979	20.2
121.06516	1.5
121.10149	85.6
122.10515	1.8
123.08060	3.9
131.08582	1.5
133.07629	4.0
133.10121	2.9
134.10915	2.3
149.02350	100.0
149.05991	2.1
149.09622	11.9
149.13240	10.3
150.02719	2.7
150.09125	2.4
150.13695	1.0
151.02415	4.9
159.95691	1.4
167.05547	2.1
169.03479	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	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03941	3.4
55.01860	2.6
55.05502	3.8
57.49958	0.9
65.03946	50.8
67.05516	9.3
69.07082	6.2
70.82336	1.6
70.82660	1.3
75.64570	0.8
77.03889	1.1
79.05496	25.7
80.02626	1.8
80.18368	0.9
81.07066	20.7
88.28967	0.9
91.05489	10.0
93.03415	10.4
93.07048	31.1
94.07377	1.5
95.04973	3.1
95.08617	4.9
98.03684	2.2
101.86178	0.9
105.04485	1.2
105.07041	5.5
107.04974	1.4
107.08598	23.0
108.04468	1.7
111.04450	7.3
119.08531	0.9
121.02871	60.4
121.03979	19.0
121.06499	1.3
121.10134	7.7
122.03246	1.4
149.02351	100.0
149.09628	8.2
149.13261	11.4
150.02663	2.4
150.09077	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
50.32128	0.9
52.01489	1.1
53.03962	6.3
55.05510	12.0
57.07072	1.0
61.35050	0.9
65.03944	5.2
67.05514	6.5
69.07074	19.2
71.24127	2.1
77.03930	1.4
79.05074	1.9
79.05501	24.4
79.36746	0.9
81.06595	2.1
81.07063	40.6
83.08642	1.5
87.27373	0.9
91.05489	21.4
91.47053	1.0
93.03400	1.2
93.07051	100.0
94.07375	2.1
95.04964	4.6
95.08598	6.3
105.04498	2.0
105.07043	9.6
107.08601	62.7
109.06525	1.4
119.06057	1.7
119.08553	1.8
121.02872	2.6
121.09299	1.0
121.10149	28.3
149.02371	5.8
149.13268	43.6
150.13718	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32481	0.9
53.03936	3.8
55.01867	2.7
55.05501	3.7
57.07063	1.4
61.40434	0.8
65.03945	48.9
67.05505	2.3
69.03429	1.4
69.07064	3.0
70.67465	1.1
70.67797	2.0
70.87089	0.8
79.05491	12.0
80.02634	1.0
81.07069	6.8
85.81393	0.8
91.05490	16.5
93.03412	12.4
93.07047	23.4
95.04966	2.6
95.08595	0.9
98.03681	2.4
98.34212	0.8
103.05508	4.2
105.04533	1.7
105.07043	17.7
107.01315	3.1
107.04961	2.5
107.08606	19.0
111.04443	6.4
116.06262	1.5
119.08598	3.6
121.02876	55.5
121.03985	21.6
121.04854	1.5
121.06522	4.2
121.10155	26.4
122.03229	1.5
123.08014	1.1
131.04976	1.1
131.08595	2.6
133.07599	1.2
133.10136	2.0
134.10954	1.4
149.02356	100.0
149.06003	3.7
149.09639	8.9
149.13252	6.9
150.02666	2.6
150.05510	1.3
150.09099	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1327
Annotation	Multifidene
Peak:m/z	Relative Intensity
51.02385	0.9
51.43529	1.0
53.03942	4.9
55.01864	3.6
55.05513	5.1
57.07074	1.1
65.03946	53.1
67.05488	2.8
69.03405	1.1
69.07072	13.5
71.22891	1.4
71.23245	1.6
79.05502	18.8
80.02637	1.1
81.07050	6.5
85.15307	0.9
91.05487	23.3
93.03419	9.6
93.07049	48.6
95.04972	4.0
95.08617	2.2
98.03679	1.4
103.05479	2.9
105.04497	1.8
105.07038	16.0
107.04967	1.2
107.08602	43.3
109.06534	2.7
111.04433	6.6
119.06081	2.1
119.08578	3.3
121.02876	53.0
121.03980	18.7
121.06496	1.9
121.09335	1.8
121.10156	23.9
122.03206	1.6
131.08601	2.0
133.10156	1.1
149.02354	100.0
149.05965	2.5
149.09647	14.1
149.10725	2.1
149.13258	9.9
150.02660	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	149.1327
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03927	3.1
55.01853	1.9
55.05509	7.1
58.93996	1.0
65.03943	58.0
66.71781	1.1
67.05499	5.2
68.99763	1.0
69.06781	0.9
69.07076	9.2
70.25046	3.7
74.95046	1.1
79.05493	16.9
80.02634	1.6
81.06593	1.5
81.07060	22.9
87.58467	0.9
91.05479	16.8
92.12354	0.9
93.03408	14.0
93.07047	54.1
94.07412	1.8
95.04977	2.5
95.08598	4.0
98.03624	1.2
105.04484	1.2
105.07034	4.4
107.04967	7.9
107.08601	30.6
108.04450	1.0
109.06595	1.3
111.04443	8.1
114.04150	1.0
119.08498	1.1
121.02869	59.6
121.03976	18.9
121.06505	1.6
121.10159	13.6
122.03168	1.5
131.08562	1.4
149.02350	100.0
149.09679	5.2
149.13271	21.1
150.02692	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	149.1327
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03953	2.0
55.01870	2.2
55.05507	4.3
65.03947	51.6
66.98772	0.9
67.05499	3.7
69.07074	7.1
69.37796	7.7
72.71545	0.9
79.05502	15.1
80.02632	1.7
81.07062	21.3
87.76449	1.0
91.05491	12.0
93.03419	12.7
93.07056	42.8
95.04983	2.3
95.08621	2.5
98.03694	1.8
99.87547	1.0
105.04546	1.6
105.07050	5.3
107.04980	5.9
107.08606	24.0
108.04488	1.5
111.04446	6.0
119.08632	1.1
121.02879	55.2
121.03989	20.2
121.06515	1.8
121.10165	11.6
122.03225	1.5
149.02357	100.0
149.09627	3.6
149.10728	1.7
149.13268	13.5
150.02696	3.2
150.09154	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	149.0963
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03958	7.7
55.01875	3.7
55.05511	4.2
65.03625	2.2
65.03951	37.8
67.05496	2.0
69.03421	5.6
69.07049	1.8
71.38287	1.7
77.03922	3.4
79.05067	2.3
79.05502	28.5
81.07051	4.7
83.04929	1.5
91.05491	78.8
93.03388	8.6
93.07054	45.4
95.04971	5.0
103.05491	10.5
105.04519	3.5
105.07043	57.3
106.07828	4.4
107.04974	2.0
107.08607	11.0
109.06535	6.0
111.04469	6.0
115.05482	10.1
116.06258	33.0
119.08584	11.9
121.02883	38.2
121.03985	15.5
121.06522	20.5
121.10162	45.2
121.79119	1.3
122.10537	2.2
123.08105	4.2
128.06277	2.0
129.07031	10.8
131.08591	29.6
133.06589	2.5
133.07640	6.0
134.07259	5.7
147.08081	4.9
149.02368	81.6
149.06062	2.5
149.09637	100.0
149.13281	2.7
150.02669	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0598
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
53.03948	4.8
55.01870	0.7
56.96563	1.1
59.07802	0.4
65.03943	18.6
67.05515	1.0
71.33604	0.7
77.03935	1.4
79.05495	45.2
80.05833	0.7
81.03400	0.6
82.39673	0.5
91.05485	11.7
93.03413	4.0
93.07044	31.2
94.06574	2.1
95.04971	4.2
98.03706	0.8
101.00884	1.1
102.04725	0.5
103.05470	100.0
104.05814	2.6
105.04514	2.0
105.07027	1.4
106.06554	0.6
107.04958	27.5
108.05344	0.8
111.04469	3.1
114.04089	0.5
115.01186	0.5
119.01934	0.9
120.56137	0.5
121.02875	21.8
121.03980	8.3
121.06509	11.8
122.06036	1.0
122.06966	0.6
131.04927	5.2
133.03532	0.5
133.05087	0.9
142.03528	0.5
142.22688	0.5
145.03447	0.9
149.02348	38.0
149.05992	4.9
149.07068	0.5
149.11607	1.3
150.02667	1.1
150.05510	2.0
150.07755	4.4
150.09033	0.7
169.03497	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.117
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03955	1.7
55.05522	12.9
65.03919	2.2
67.05508	3.2
69.07067	4.0
69.47665	6.3
69.88309	0.9
72.04395	1.0
76.88730	0.9
79.05499	8.6
81.07073	2.7
84.04501	1.4
88.44051	1.0
91.05496	36.7
93.07056	3.5
93.20515	1.0
95.04949	1.0
103.05463	3.6
105.07047	100.0
106.07367	1.4
107.08612	5.3
117.07065	11.3
119.04941	4.8
119.08601	85.9
120.08926	1.5
123.96445	1.0
131.08565	2.1
132.09344	3.3
145.10149	7.5
147.04446	2.7
147.08051	3.0
147.11713	45.0
148.12170	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	4.9
57.03451	0.5
60.04524	0.4
61.02922	0.6
65.03933	0.6
67.05500	1.6
69.03429	0.5
70.06598	0.5
70.15590	1.0
72.08163	1.9
73.02909	0.5
73.07895	0.5
73.08493	1.8
74.00669	1.1
84.04511	100.0
84.08149	59.9
84.08684	0.7
85.02914	1.6
85.04845	1.0
85.06573	1.0
85.08499	0.8
85.52592	0.4
86.06072	0.6
91.05499	3.7
100.02523	0.6
101.00909	0.6
101.01774	0.4
101.07160	2.3
102.05541	3.2
103.02608	0.5
103.05504	0.5
112.07652	0.8
113.11597	0.9
115.02465	0.7
119.01955	1.2
119.04947	5.7
130.05016	26.8
130.08652	6.5
133.03514	1.4
142.03506	1.4
143.01918	0.5
147.04453	1.1
147.07663	0.6
155.13779	0.4
160.04604	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0765
Annotation	L-Glutamine
Peak:m/z	Relative Intensity
56.05043	4.9
56.34615	0.5
58.06608	0.6
60.98995	0.5
65.03959	0.6
67.05502	0.9
68.68435	0.5
68.68837	0.5
70.06590	0.9
71.48810	1.0
72.08157	1.4
73.08478	0.7
74.00665	1.5
81.59562	0.5
84.04510	100.0
84.08147	66.4
85.02908	2.1
85.04824	1.1
85.06554	0.7
85.08475	0.9
87.06358	0.5
88.02679	0.6
88.04803	0.7
91.05496	3.7
96.48758	0.5
100.02483	0.8
101.00900	0.7
101.01707	0.5
101.07162	2.6
102.05557	2.9
103.02494	0.4
103.05499	0.9
112.07634	0.6
113.11585	0.5
117.33568	0.5
119.01926	0.8
119.04967	5.5
120.01189	0.6
130.05016	27.0
130.08644	7.0
133.03471	0.8
142.03500	1.0
147.04370	0.7
147.07663	0.8
160.04642	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
52.61522	0.4
53.03955	0.7
55.05529	0.5
64.92831	0.5
65.03941	9.4
67.05502	0.8
67.17669	0.4
69.74021	2.6
72.08136	0.5
78.84511	0.4
79.05505	0.5
81.07047	0.7
84.04500	2.6
84.08154	1.5
84.48013	0.5
91.05485	100.0
92.05813	2.0
93.30022	0.5
96.71523	0.4
98.20843	0.6
103.05479	0.5
105.07030	4.9
117.07023	0.7
119.04946	87.4
119.08571	3.2
120.05278	1.9
122.36414	0.4
147.04420	30.1
147.08054	0.7
147.11763	2.1
148.04767	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.1654
Annotation	Spermidine
Peak:m/z	Relative Intensity
57.66343	0.5
58.06609	8.8
70.44847	1.4
72.08164	100.0
73.08511	0.9
75.09244	2.7
82.06620	0.7
84.04502	1.8
84.08155	13.3
91.05487	1.2
92.09315	0.4
103.00652	0.5
112.11257	23.1
119.04995	1.0
129.13902	3.9
146.06056	1.1
146.16499	1.2
160.61464	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
50.35220	0.6
52.91909	0.8
65.03950	12.8
70.78984	2.0
72.08148	1.4
73.08502	2.2
74.30186	0.7
84.04528	4.2
84.08141	3.1
86.22247	0.8
91.05490	100.0
91.75501	0.7
92.05818	3.6
119.04953	93.7
119.06792	5.6
119.08572	1.3
120.05289	2.8
123.96432	1.7
129.05214	1.0
130.04993	0.8
147.04424	34.8
147.06360	2.0
147.09219	1.0
148.04828	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0602
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
55.05512	0.6
55.98203	0.2
56.05030	0.3
58.06605	0.8
65.03944	0.6
69.16810	0.5
69.17206	2.0
72.08162	5.4
82.06583	1.7
84.04486	0.4
84.08143	0.8
87.04459	0.2
91.05489	26.1
92.05808	0.6
98.20724	0.5
99.04515	0.2
100.04817	0.5
100.07622	1.6
105.07037	1.7
106.07349	0.4
107.08617	0.2
109.06506	0.3
112.11251	1.2
116.05825	0.3
117.05769	4.9
117.07020	0.5
118.06552	100.0
119.04989	1.2
119.06886	2.5
119.08590	2.2
123.06741	0.3
128.07085	0.4
145.10162	0.3
146.06026	10.2
146.08089	0.9
146.09381	0.3
146.10480	0.6
147.04420	0.6
147.11688	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	146.0602
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
52.20888	0.6
55.05515	0.9
58.06601	1.7
63.48855	0.7
65.03952	1.1
70.65406	1.7
71.02887	0.6
72.08160	25.5
73.40781	0.7
82.06580	2.4
84.08153	3.7
84.58753	0.8
91.05486	31.4
100.04765	1.1
100.07600	1.0
112.11267	6.6
117.05771	5.5
118.06549	100.0
119.04956	5.4
119.06877	1.7
128.04979	12.2
128.07074	0.8
129.13882	1.4
146.06023	32.7
146.16490	0.7
147.04373	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	145.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.6
53.03948	5.4
55.01875	3.2
55.05516	1.3
57.03430	2.4
57.04543	0.5
62.92995	3.6
67.05498	1.4
69.03441	3.3
69.56133	0.4
70.06576	0.6
71.01363	0.9
71.04995	16.6
71.49925	0.5
71.50285	0.5
72.08161	9.5
74.07209	1.2
77.76031	0.5
79.05499	1.9
79.05914	0.5
81.03423	6.4
82.06580	1.6
84.08140	0.5
84.99277	0.6
85.02901	4.9
86.06062	0.6
89.03915	0.8
91.05484	19.1
97.02891	1.4
99.04462	38.4
100.04748	0.8
100.07631	2.0
101.02406	1.0
103.05470	4.0
105.07037	72.5
106.07350	1.1
112.11284	0.6
115.04021	0.5
115.05463	10.4
116.06229	1.7
117.07023	27.6
118.06562	4.8
120.44976	0.5
121.96659	4.3
127.03933	6.2
127.05443	0.9
128.06242	8.6
129.07014	15.9
130.07796	57.2
131.08124	1.0
139.01801	0.6
143.08583	10.8
145.04999	2.9
145.06445	2.1
145.10132	100.0
146.06015	1.7
146.08054	0.9
146.10466	3.2
147.08112	0.7
155.06041	1.7
157.07611	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76632	2.4
55.01865	5.8
55.05514	20.7
56.04982	2.6
56.27819	2.3
57.07087	15.8
59.05001	2.5
67.05499	11.0
69.03424	14.2
69.15727	12.7
69.16151	15.3
70.06567	3.8
70.87476	2.2
71.05000	100.0
73.06548	10.7
73.42242	2.2
79.05515	6.0
81.07061	5.6
82.07383	3.0
82.45223	2.4
83.04983	13.5
83.08616	10.7
84.08183	3.2
85.06552	43.9
91.05510	3.2
97.02895	10.2
97.10165	8.1
98.06020	3.3
107.08617	32.4
118.67090	2.6
125.02351	8.9
125.09640	17.5
128.06236	27.9
143.03403	68.6
143.08629	7.5
143.10751	3.7
144.04776	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	143.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.4
54.04272	0.5
55.05506	0.4
57.03444	0.9
58.03756	0.5
58.06605	0.4
58.99857	1.1
66.85527	0.3
68.05022	1.2
69.03421	0.7
69.05350	1.3
69.93201	0.3
70.06594	2.6
70.57499	0.6
70.57812	0.4
70.99866	2.2
71.06935	2.0
74.09737	0.4
75.10050	0.4
77.00901	1.3
79.05495	4.1
80.05071	0.7
80.05824	6.3
81.03463	0.5
81.04546	13.1
81.05267	1.4
81.07050	1.0
82.03771	0.4
82.04859	0.5
82.05328	0.3
82.06573	0.6
82.07391	0.3
82.99839	2.5
83.04980	0.5
83.06117	0.3
84.08160	1.5
89.00880	1.2
95.06094	7.4
96.05335	0.5
97.07666	1.0
97.08472	0.5
98.06059	2.7
98.06860	0.4
99.04469	0.3
99.05770	0.5
99.06375	3.6
100.02463	0.5
100.04771	0.4
101.00886	29.4
102.00974	1.4
103.02412	0.5
106.48294	0.3
108.05293	2.2
109.06513	0.9
119.01925	100.0
120.02008	4.4
121.01629	0.5
125.06204	0.6
125.07117	4.5
125.07934	0.5
126.06335	6.5
126.09121	0.7
127.07534	0.5
128.68315	0.3
137.02965	25.8
138.03081	1.3
142.03505	2.8
143.01987	1.5
143.03484	1.7
143.07983	2.3
143.09109	3.7
144.05063	3.1
144.10210	4.3
145.03442	0.6
161.02933	2.9
161.04106	0.3
162.06155	1.6
163.04543	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
56.05024	0.3
57.03437	1.0
57.80804	0.3
58.99866	1.1
68.05022	0.5
69.03426	0.9
70.06595	1.8
70.78556	0.7
70.78917	0.4
70.99865	3.3
71.01344	0.3
71.06924	0.9
71.13392	0.2
72.08131	0.3
73.02925	0.3
77.00916	0.8
79.05511	2.0
79.51934	0.3
80.05044	0.3
80.05833	2.4
81.03426	0.5
81.04553	3.6
81.05328	0.5
81.07075	2.3
82.01447	0.4
82.99850	5.2
83.05028	0.4
83.06120	0.5
83.99954	0.3
84.04506	0.8
84.08170	1.8
85.08484	0.6
88.02668	0.4
89.00916	0.8
95.06106	1.7
97.02882	0.5
97.06554	0.3
97.07719	0.5
97.08464	0.4
98.06060	0.9
99.06390	1.4
100.02493	0.7
101.00894	53.2
102.00967	2.8
102.02392	0.5
103.02441	0.6
108.05321	0.6
109.06547	1.2
111.00408	0.3
113.00870	0.6
113.53232	0.3
115.02457	0.6
118.03522	0.5
119.01936	100.0
120.02012	5.1
121.01690	0.8
122.53752	0.2
124.02454	1.2
125.02393	0.4
125.07139	1.6
125.07902	0.3
125.11682	0.3
126.06335	1.9
126.09167	0.5
127.07584	1.0
131.01927	0.8
133.03485	0.8
137.02974	15.7
138.03050	0.9
142.03490	1.9
143.01974	1.9
143.03444	3.9
143.08151	1.0
143.09158	1.5
143.12650	0.7
144.03310	0.3
144.05067	1.8
144.10196	2.1
145.03535	0.3
161.02971	2.5
161.04195	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02238	0.4
53.03941	1.6
54.03458	0.6
55.01868	0.8
55.05505	1.7
56.05026	2.1
57.03429	1.0
59.93110	1.8
60.04512	0.9
65.03950	0.9
67.05486	0.6
68.05031	3.7
69.03442	6.3
69.07068	1.4
70.06599	6.1
70.89610	1.1
71.04994	1.2
72.04518	0.9
72.08161	0.8
72.29387	0.4
79.05501	14.9
80.05017	4.9
81.03442	1.1
81.04554	4.9
81.07065	28.9
82.06602	1.3
82.07402	0.7
83.04982	4.0
83.06086	0.6
84.08138	1.7
86.06121	0.8
94.06594	0.6
95.04992	2.5
95.06092	0.8
96.04516	1.6
96.08140	8.5
97.02908	3.8
97.06525	3.2
97.50661	0.5
98.06058	8.9
99.04456	1.3
100.07607	1.0
100.97240	0.6
101.00881	1.4
101.95038	1.6
104.75228	0.5
106.06573	0.6
107.04986	3.1
114.09175	1.6
115.05454	4.0
116.05753	1.2
118.96777	3.3
119.01923	2.1
119.21218	0.5
124.07607	5.1
124.08705	1.8
125.02369	3.9
125.06015	10.6
125.06994	0.9
128.06235	3.1
141.07004	100.0
142.05037	1.5
142.07747	50.9
142.08667	60.5
142.12314	1.9
143.03404	25.4
143.08113	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.62178	4.6
70.91252	10.3
71.50298	4.4
74.36662	4.7
101.00891	66.3
104.08752	4.1
119.01933	100.0
119.02782	4.0
128.49446	8.6
137.02951	15.6
137.50003	15.6
140.00235	6.3
142.03497	17.2
160.04659	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29311	4.0
68.05045	3.9
69.12711	3.5
70.06593	7.1
71.18697	7.6
71.19020	4.5
73.49312	3.9
76.96611	3.6
79.05480	11.7
81.04541	12.0
82.01469	3.8
82.99816	5.9
84.08148	14.3
94.82239	4.0
98.06041	7.0
100.02500	5.9
101.00896	62.4
101.01521	7.0
111.76201	3.8
119.01926	100.0
120.02004	3.5
124.02464	4.2
124.08705	6.2
125.02736	4.2
125.06017	12.0
127.67405	3.5
137.02934	14.2
142.03485	17.9
142.08647	11.5
143.03430	5.6
161.02980	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.3
55.01878	2.1
56.05039	2.2
57.03431	7.6
57.42728	1.6
59.95936	2.0
68.05032	20.0
69.03428	5.6
69.07083	2.1
70.06602	40.8
70.79178	5.3
79.05501	100.0
79.65321	1.7
80.05029	22.6
81.03421	12.0
81.04536	2.8
81.07064	15.1
82.01457	1.9
82.06576	5.4
82.99855	4.5
83.04974	2.9
84.08163	10.0
95.04980	7.1
96.08148	14.8
97.06530	5.0
98.06065	69.2
99.04457	6.7
100.02551	2.2
100.07620	5.0
101.00892	34.6
102.57054	1.7
105.04496	1.9
107.04971	23.5
119.01933	53.7
124.02531	2.0
124.07605	7.4
125.06005	81.2
137.02985	6.7
140.12895	1.8
142.03525	7.6
142.08646	70.9
142.12309	8.0
143.01942	2.0
143.03476	4.5
145.11301	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	137.1326
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
53.03952	1.3
55.01868	1.0
55.05521	6.1
57.07088	9.2
67.05514	32.0
68.05827	1.0
69.07085	5.1
71.49285	1.2
71.49676	1.0
79.05511	10.5
81.03419	1.1
81.07069	64.0
91.05499	5.0
93.07058	8.8
95.04983	2.8
95.08620	100.0
96.08960	1.6
101.17882	0.9
107.08579	1.7
108.09488	0.9
109.06551	1.7
109.10159	8.7
119.08502	0.8
137.02484	1.4
137.05962	3.4
137.09627	4.8
137.10692	1.7
137.12334	1.1
137.13274	11.9
138.05537	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	137.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
55.01860	1.2
55.05517	2.8
59.10846	0.5
65.03950	2.0
66.04710	1.6
67.05508	30.4
68.05834	0.8
69.03429	2.2
69.07060	1.6
71.03716	1.0
77.03928	0.6
78.04731	0.4
79.05499	6.4
81.03423	1.1
81.07056	9.8
82.06599	0.6
91.05488	16.9
92.05808	0.7
93.07052	5.7
93.10996	0.4
94.04198	9.7
94.07807	1.1
95.04971	3.4
95.08607	8.4
103.05471	1.8
104.06242	1.2
105.04529	1.3
107.04965	23.4
107.08605	2.0
107.88132	0.4
109.06501	2.5
109.10162	33.1
110.06048	0.7
110.10468	0.6
117.07015	2.8
119.08589	16.6
119.56872	0.4
120.03873	0.4
120.08984	0.4
121.06509	9.3
122.03657	13.0
122.07291	100.0
123.07613	1.7
129.13486	0.4
135.08041	4.2
137.02419	1.5
137.04460	0.8
137.05956	18.6
137.09624	86.1
138.05536	1.1
138.09048	0.5
138.09982	1.7
154.98210	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0963
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03948	2.6
55.01869	0.9
55.05509	2.2
65.03944	1.0
66.04719	1.0
67.05510	28.1
69.03440	2.2
69.07066	1.1
69.69398	2.0
77.03932	0.8
79.05489	4.2
81.03441	0.7
81.07061	10.0
91.05488	14.7
92.05817	0.5
92.61848	0.3
93.07047	5.2
94.04197	7.5
94.07847	1.6
95.04974	3.1
95.06086	0.4
95.08612	6.6
96.04529	0.3
103.05476	2.4
104.06261	1.5
105.04521	1.1
105.07047	0.4
107.04963	24.2
107.08601	1.8
109.06529	1.7
109.10165	32.5
110.06054	0.5
110.10497	0.5
117.07026	2.2
119.04958	0.4
119.08591	16.6
121.06512	9.1
122.03671	8.1
122.07294	100.0
123.03922	0.4
123.07660	1.7
135.08070	4.4
137.02455	1.0
137.05957	15.2
137.09625	79.8
138.05490	1.1
138.09976	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	137.0963
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
50.16025	0.9
50.55223	0.8
53.03949	5.3
55.01839	4.0
55.05516	13.9
57.03419	1.3
57.07050	2.3
65.03943	6.4
66.04679	3.5
67.05506	100.0
68.99775	1.0
69.03388	3.8
69.07068	8.5
69.20311	6.6
69.20723	2.4
79.05495	18.9
81.03365	3.5
81.07056	48.6
83.04955	1.3
91.05485	28.9
92.04958	1.3
92.05766	2.6
93.07040	14.6
94.04187	31.3
94.06547	2.0
95.04972	19.0
95.06019	3.0
95.08610	40.8
96.04457	2.0
102.95254	0.9
105.06982	1.1
107.04897	3.5
107.08603	7.4
109.06514	14.8
109.07619	1.5
109.10158	43.9
110.05965	3.3
112.73471	0.9
113.07402	0.8
117.06953	2.7
119.04900	2.8
119.05993	1.2
119.06831	1.0
119.08587	9.4
120.03794	1.2
120.04498	1.4
120.05185	1.1
121.06498	1.2
122.03648	38.6
122.07293	11.2
123.69447	0.8
126.05375	0.9
137.02483	4.9
137.05896	58.5
137.09625	36.4
137.10641	3.9
137.13158	3.1
138.05548	10.2
138.09053	1.9
138.09961	1.3
153.84724	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0963
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03948	7.9
55.01876	7.7
55.05511	9.8
57.03418	1.2
57.07061	2.0
65.03940	9.4
66.04721	9.0
67.05511	87.4
67.97429	1.0
68.05020	1.8
68.05808	1.2
68.99785	1.6
69.03455	5.8
69.03754	1.6
69.07039	4.5
70.06552	1.3
70.75183	2.2
70.75520	2.4
76.18319	1.0
77.03888	2.1
79.05502	24.7
81.03386	4.6
81.07063	49.6
82.05253	1.3
83.04951	3.1
91.05491	48.5
92.05775	2.6
93.07058	15.7
93.95376	1.0
94.04194	63.0
94.06557	1.8
94.07795	2.0
95.04978	22.2
95.06048	4.0
95.08611	25.7
96.05721	1.3
96.39247	1.0
103.05492	1.9
105.04486	3.5
107.04969	20.0
107.08601	7.0
108.05706	1.3
109.06529	43.2
109.07630	1.8
109.10165	47.5
110.03484	1.5
110.06003	3.3
117.06982	3.3
119.03537	2.3
119.04898	3.0
119.05997	2.8
119.08582	17.9
120.03816	2.1
120.04528	1.7
120.05240	1.2
121.06515	6.8
122.03660	68.9
122.07298	59.2
123.03957	2.0
123.07584	1.3
135.08054	2.2
135.72426	1.1
137.02382	5.0
137.04565	7.9
137.05927	100.0
137.09627	71.6
137.10675	4.1
138.05557	10.9
138.06416	2.3
138.09050	2.6
138.09962	1.2
156.15851	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0599
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02419	0.6
53.03950	2.3
55.01915	1.6
55.05555	1.7
57.03461	0.4
57.07129	0.6
58.95917	0.4
63.09762	0.4
65.03940	2.7
65.51563	0.4
66.04723	7.2
67.05511	12.1
68.05030	0.5
68.05885	0.4
69.03473	1.7
69.07082	1.9
70.06631	0.4
70.48107	1.4
77.03967	1.7
79.05492	8.5
81.03445	1.0
81.05386	0.4
81.07061	10.8
82.05365	0.7
82.06644	0.7
91.05490	11.5
91.06009	0.7
92.05067	0.5
92.05802	0.7
92.72341	0.4
93.07036	4.7
94.04191	49.0
94.06612	0.7
95.04472	0.7
95.04991	4.8
95.06106	0.9
95.08615	7.6
96.04462	0.8
105.03403	0.9
105.04533	0.9
107.04958	3.9
107.08618	0.8
109.06534	3.9
109.07665	0.6
109.10168	4.9
110.06064	1.4
117.07019	0.7
119.04971	1.0
119.08574	2.6
120.04513	1.1
121.02880	0.6
121.06514	0.9
122.03654	66.8
122.07285	7.7
123.03998	1.2
135.04428	0.8
137.02571	2.6
137.05965	100.0
137.09618	13.5
137.10696	1.7
137.13181	0.4
138.05478	3.2
138.06363	1.5
138.09105	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02378	0.6
53.03944	1.2
55.01883	0.9
62.62835	0.4
62.86757	0.4
65.03941	2.3
66.04728	9.2
67.05495	0.5
71.14647	0.9
73.45746	0.5
77.03918	1.3
77.33308	0.4
79.05498	5.2
81.07048	1.2
88.23896	0.4
91.04959	0.7
91.05475	4.1
94.04192	57.9
95.04458	0.7
95.05003	0.9
95.16978	0.5
105.03391	0.8
107.04948	1.8
109.06566	0.8
122.03655	74.3
123.03999	0.9
124.52130	0.5
131.66393	0.4
135.04439	0.6
137.05984	100.0
138.06311	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0599
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02432	0.7
53.04014	2.1
53.09195	0.6
55.01931	1.2
56.71865	0.5
58.40357	0.5
65.00834	0.5
65.04015	2.8
66.04796	8.5
67.05513	4.5
69.03495	1.1
70.94732	1.4
77.04001	1.6
79.05502	7.0
79.98862	0.5
81.03488	1.3
81.07069	6.7
91.05493	7.0
93.07092	1.9
94.04195	55.1
95.04507	0.8
95.05034	3.5
95.06105	0.7
95.08613	4.1
96.04554	0.9
105.03452	1.0
105.04494	0.7
105.07012	0.6
107.05002	1.9
109.06516	3.1
109.07657	0.6
109.10188	1.5
119.08631	1.0
120.03829	0.7
120.04539	1.0
122.03661	80.1
122.07266	1.0
123.04001	1.1
135.04442	0.9
137.02432	2.3
137.05962	100.0
137.09608	3.6
137.10680	1.1
137.13257	0.6
138.05464	1.8
138.06323	2.1
138.09090	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0758
Annotation	N-Benzylformamide
Peak:m/z	Relative Intensity
50.22419	0.6
58.02966	67.0
59.34586	0.6
65.03940	2.2
67.05485	0.7
69.41635	1.2
69.42042	3.4
76.04019	1.1
79.05498	10.2
80.05827	1.2
81.07061	1.1
86.79389	0.6
89.34098	0.7
91.05487	43.9
92.05784	0.8
92.06293	1.4
93.05795	0.8
93.07081	0.8
94.04091	0.8
94.07374	1.7
95.04981	0.8
98.21538	0.6
104.05006	2.2
104.06246	3.0
108.09002	0.8
109.01126	0.8
117.05753	4.5
118.06554	43.2
119.03526	3.4
119.07333	100.0
120.07673	2.1
136.02165	6.6
136.05164	1.3
136.06210	22.2
136.07590	38.4
137.04619	0.9
137.06010	1.1
137.07986	1.0
150.92485	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0757
Annotation	2-Phenylacetamide
Peak:m/z	Relative Intensity
55.51245	0.9
58.02963	65.2
65.03943	1.0
70.02303	4.1
71.48743	0.8
76.04019	0.9
77.12912	1.0
79.05489	10.1
80.05016	1.5
91.05482	38.9
92.06273	1.7
94.04070	2.8
95.04990	1.9
98.00819	0.9
104.04987	1.3
104.06257	2.7
109.01084	1.4
117.05775	5.3
118.06547	40.4
119.03574	6.6
119.07328	100.0
120.07646	1.5
136.02167	13.5
136.03925	1.7
136.06178	42.9
136.07564	35.9
136.08401	0.8
137.04559	2.4
137.05962	2.3
137.07840	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0759
Annotation	2-Phenylacetamide
Peak:m/z	Relative Intensity
58.02967	64.5
59.79484	0.6
65.03949	1.1
68.03806	0.7
71.10025	1.4
76.04017	0.7
79.05502	10.3
87.97504	0.7
91.05488	44.2
92.05795	0.9
92.06301	1.3
93.42063	0.7
94.04111	0.9
104.05036	1.3
104.06261	2.6
113.96954	0.8
117.05773	3.7
118.06557	41.0
119.03568	2.7
119.07338	100.0
120.07698	1.7
136.02225	3.9
136.06219	16.6
136.07599	39.8
137.04614	1.0
137.07945	1.1
142.35010	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0759
Annotation	2-Phenylacetamide
Peak:m/z	Relative Intensity
53.03937	1.6
55.05513	0.7
58.02966	35.7
59.82042	0.5
65.03943	1.2
67.02977	0.6
67.05493	1.7
69.03435	1.6
69.31723	4.0
76.03983	1.0
79.05496	6.5
80.05022	2.0
80.05826	0.8
81.03405	0.7
81.07059	2.1
82.05347	0.7
82.70850	0.5
91.05489	34.6
92.02478	0.8
92.06281	1.1
93.05798	2.0
93.07050	1.6
94.04108	5.7
94.06588	0.7
94.07354	0.6
95.04984	1.5
95.06075	0.7
95.08621	1.5
104.05002	0.9
104.06248	1.6
105.04474	0.5
107.04939	1.1
108.04463	1.1
108.08163	0.8
108.08936	0.8
108.75338	0.7
109.01115	1.7
109.05140	1.1
109.06510	1.0
109.10170	0.8
111.65740	0.5
112.05030	0.5
117.05776	2.6
118.06553	23.6
119.03570	12.7
119.04970	1.5
119.07336	52.3
120.07670	1.6
122.03662	3.7
122.07314	1.2
136.02187	24.2
136.04031	3.4
136.06209	100.0
136.07581	28.1
137.02531	0.5
137.04596	5.3
137.06000	6.6
137.07991	0.7
137.09631	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	136.062
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03833	0.3
67.02971	0.6
68.00192	0.3
71.21675	0.5
82.04066	0.3
91.05489	0.4
92.02493	0.7
94.03514	0.5
94.04063	4.8
109.05152	1.1
119.03558	15.3
128.82422	0.2
131.01929	0.4
136.06198	100.0
137.04590	5.1
137.06514	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.062
Annotation	Adenine
Peak:m/z	Relative Intensity
55.02993	0.2
65.01400	0.1
67.02988	0.3
69.99917	0.1
70.84978	0.3
82.04071	0.1
91.05492	3.7
92.02505	0.7
94.04060	4.0
107.04937	0.2
109.05139	0.9
109.15066	0.1
112.05119	0.2
113.00895	0.3
119.03559	15.2
119.04958	0.6
120.03915	0.2
129.19199	0.1
131.01894	0.7
136.06195	100.0
137.04602	5.0
137.06621	1.1
148.18185	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	136.062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.89464	0.2
65.03960	0.3
67.02996	0.5
70.77336	0.4
89.08843	0.2
91.05487	11.0
92.02496	0.6
93.65240	0.2
94.04061	4.2
98.81599	0.2
102.09172	0.4
107.04948	0.5
109.05149	0.7
113.00874	1.9
119.03559	13.9
119.04856	2.3
131.01912	4.7
136.06192	100.0
137.04601	5.0
137.06551	0.8
149.02968	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45728	0.3
51.00420	0.3
51.71105	0.3
53.03952	0.5
55.01875	0.5
56.96548	0.3
57.03438	0.4
58.99870	2.3
67.01867	0.3
67.05491	0.3
68.04997	0.3
68.76468	0.3
68.87594	0.3
69.03416	0.5
69.33366	0.3
70.73309	0.7
70.73660	0.3
74.02433	0.6
76.02862	0.9
77.00912	0.8
79.05479	0.4
80.05006	0.8
80.51060	0.5
81.03439	0.4
81.07035	0.4
81.50940	0.7
82.01442	1.3
83.31583	0.3
85.01418	0.9
88.03970	0.4
89.51590	1.1
90.01620	0.5
90.04413	0.5
90.51443	1.6
91.05487	1.0
92.02612	1.5
93.03426	0.4
93.05797	0.6
94.04073	0.6
94.99818	1.4
95.04959	0.4
96.04446	0.3
100.02501	3.1
101.00874	1.0
101.52220	0.4
102.02254	0.6
103.02456	1.5
103.53740	0.4
105.07018	0.5
106.06552	0.3
107.52337	0.3
108.04486	0.7
108.08112	0.8
109.01119	0.6
109.97938	0.4
110.52691	4.3
110.54521	0.4
111.02795	0.9
111.04220	0.3
113.00879	26.9
113.01579	1.1
114.00980	0.8
115.01196	0.6
115.02399	0.4
118.03519	1.3
118.06576	0.9
118.98450	0.7
119.01961	2.0
119.03568	2.4
120.02038	0.5
121.03520	0.8
121.48705	0.9
122.02150	2.0
122.52196	0.3
123.02041	0.3
124.02470	0.3
124.52428	3.3
124.54327	0.3
125.02505	0.5
127.98983	1.3
130.03517	0.3
130.49222	3.9
131.01917	100.0
132.01988	2.7
132.05005	0.4
132.10367	0.3
133.02316	0.6
133.52921	2.2
136.02190	5.4
136.03966	0.5
136.06198	16.9
136.07570	2.8
136.11166	0.3
137.04590	1.1
138.99957	0.8
139.49734	6.4
139.99727	0.3
142.00056	1.1
145.03455	0.5
146.11491	0.3
147.01402	0.5
149.02979	17.3
150.03093	0.6
154.03528	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	136.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31647	0.2
53.03939	0.3
53.87522	0.2
55.01865	0.7
57.03436	0.3
58.99868	2.2
65.03933	0.4
67.05485	0.4
68.05031	0.2
69.03423	0.7
69.04535	0.2
71.32988	0.4
74.02446	0.5
75.72112	0.2
76.02854	0.2
77.00912	0.9
79.05505	0.5
79.51191	0.2
80.02860	0.2
80.05027	1.1
80.51053	0.9
80.57948	0.2
81.03426	0.6
81.07045	0.5
81.50923	1.0
82.01443	0.9
83.04984	0.2
85.01406	0.7
88.51699	0.2
89.01773	0.2
89.51556	2.3
90.01628	0.8
90.04393	0.2
90.51440	2.8
90.51942	0.2
90.87536	0.2
91.05505	1.0
91.53696	0.2
92.02618	2.2
93.01758	0.2
93.03401	0.6
93.05782	0.5
93.07063	0.3
94.04063	1.0
94.06579	0.4
94.99815	1.1
95.04991	0.4
98.02303	0.2
100.02483	3.7
100.03130	0.2
100.52460	0.2
101.00886	0.7
101.02525	0.4
101.52162	0.6
102.02238	1.0
103.02451	2.2
103.53725	0.2
104.01147	0.3
105.07037	0.2
108.02389	0.2
108.04424	0.4
108.08122	0.6
109.01097	0.5
109.97958	0.2
110.01366	0.2
110.52676	4.5
111.02776	0.9
112.05161	0.2
113.00877	19.0
113.01611	2.3
113.51672	0.2
114.00968	0.6
115.01188	0.8
115.02432	0.4
117.04023	0.4
118.03510	1.6
118.06546	0.5
118.98439	1.4
119.01924	1.8
119.03559	2.7
119.53214	0.2
120.02071	0.5
120.08132	0.3
121.02798	0.3
121.03522	0.5
121.48668	1.4
121.52168	0.2
122.02120	2.4
122.03548	0.3
122.52168	0.3
124.02456	0.2
124.52409	4.3
125.02495	0.8
125.03336	0.2
127.02446	0.3
127.98923	1.9
129.00331	0.3
129.99432	0.3
130.03465	0.3
130.49207	5.5
131.01909	100.0
132.01973	2.9
132.05089	0.3
132.99460	0.3
133.02287	0.7
133.03418	0.4
133.52933	2.3
135.05113	0.3
136.02184	5.7
136.03951	0.7
136.06186	21.2
136.07556	2.9
136.11197	0.4
136.99730	0.2
137.02972	0.4
137.04579	1.2
137.05811	0.2
138.03119	0.3
138.99919	0.8
139.49736	9.1
140.00017	0.4
142.00000	0.9
142.03569	0.3
145.03471	0.4
147.01413	0.5
149.02969	21.0
150.03088	0.6
151.00586	0.7
154.03487	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03942	8.6
55.05513	12.8
60.18774	1.4
65.03936	3.3
65.92196	1.3
67.05518	9.4
69.07069	5.4
70.83689	2.5
70.84006	1.7
74.96645	1.3
77.03928	3.3
79.05504	51.1
80.05840	1.4
81.07062	13.2
90.43768	1.6
91.04904	2.6
91.05494	53.6
93.07057	88.3
94.07394	1.4
95.04978	6.0
97.67103	1.3
105.04519	4.1
105.07050	22.4
106.04163	1.3
107.04960	2.0
107.08610	100.0
107.89255	1.3
108.08922	1.3
109.06537	4.0
115.05476	1.3
117.07058	4.4
119.03617	2.2
119.06101	5.5
119.08611	12.4
120.09375	4.5
135.04510	2.5
135.08069	7.8
135.10701	2.8
135.11710	36.9
136.02197	7.7
136.06207	22.6
136.07272	1.8
136.07649	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02382	1.2
53.03946	3.8
55.05514	8.1
57.07067	2.0
65.03947	3.2
66.46540	1.3
67.05501	2.7
68.44244	1.4
69.07059	1.9
73.71528	1.2
77.03928	1.7
79.05499	16.9
79.35338	1.1
79.95396	1.1
81.07062	3.1
91.05491	61.3
93.07055	44.8
93.07647	2.3
95.04987	4.8
103.05437	1.5
104.06249	1.5
105.04552	3.0
105.07046	27.8
105.07703	2.4
107.08609	100.0
108.08975	2.8
109.06518	6.2
117.07063	5.6
119.06108	6.8
119.08598	19.6
120.09392	6.5
133.10150	2.3
135.08064	3.2
135.11707	35.9
136.06194	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	135.1171
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03954	9.3
55.01865	1.9
55.05515	8.3
65.03929	4.3
67.05490	3.9
68.70995	1.0
69.03445	1.5
69.07072	2.2
70.47518	2.7
70.47935	1.0
77.03933	1.4
79.05502	31.3
80.05023	0.9
81.07075	2.4
91.05493	79.1
92.05769	1.4
92.06285	1.4
93.07054	49.2
94.04060	1.3
94.07840	1.5
95.04990	6.3
98.20982	1.1
103.05476	1.4
105.04522	3.2
105.07041	34.0
106.04171	1.4
106.07871	1.3
107.04939	3.1
107.08606	100.0
108.08936	1.7
109.06506	7.9
115.05462	3.7
117.07024	6.4
119.03557	3.8
119.06081	7.4
119.08594	22.8
120.09407	7.7
125.54372	0.8
133.10158	2.1
135.04407	3.4
135.05403	1.2
135.08081	11.3
135.10725	1.6
135.11714	28.8
136.02171	4.1
136.06204	31.6
136.07582	2.9
137.04591	2.1
137.09702	1.0
147.09166	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02392	1.0
53.03948	8.9
55.01875	4.8
55.05520	8.6
65.03946	6.2
67.05511	23.7
69.03408	1.4
69.07076	7.0
69.41369	7.0
77.03934	1.7
79.05500	67.4
80.05799	0.9
81.07060	23.1
90.33239	0.9
91.05489	53.8
92.02551	0.9
93.07053	78.6
94.04066	3.9
94.07336	1.0
95.04970	6.6
97.41639	0.8
103.05491	0.8
103.06082	0.8
105.04524	3.5
105.07037	23.0
106.04198	0.9
106.34278	0.8
107.04960	9.4
107.08602	100.0
109.01109	1.4
109.05196	0.9
109.06527	8.4
115.05464	1.1
117.07052	2.2
118.06620	1.0
119.03572	7.5
119.06085	5.4
119.08579	1.4
124.05226	1.1
133.10141	1.2
135.04538	4.3
135.05418	1.4
135.06467	1.2
135.08084	15.5
135.09068	1.0
135.11702	37.0
136.02173	12.3
136.06198	74.9
136.07457	2.6
136.12045	1.5
137.04616	4.8
139.78621	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03949	4.3
55.01874	14.0
55.05509	1.6
65.03941	10.0
67.05505	8.5
69.03432	14.0
69.07080	0.8
70.36855	2.4
77.03928	1.3
79.05496	52.9
80.05013	1.1
80.78271	0.6
81.03426	1.0
81.06640	0.6
81.07047	3.1
91.05486	100.0
92.05757	1.2
92.06278	2.1
93.07043	19.2
94.04050	1.5
95.04977	7.7
104.13953	0.7
105.04527	2.2
105.07037	33.0
106.07365	0.8
107.04955	4.7
107.08595	54.9
108.08173	0.6
108.08932	1.4
109.01093	1.0
109.06529	11.9
115.05457	29.0
116.06314	0.7
117.07021	18.9
118.06528	0.7
119.03541	4.5
119.06072	9.8
119.08575	2.7
120.05725	1.9
135.04469	4.5
135.05376	1.0
135.08061	37.0
135.11699	5.6
136.02173	9.8
136.06192	37.8
136.07491	1.5
137.04584	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	135.0807
Annotation	p-Methoxystyrene
Peak:m/z	Relative Intensity
51.02396	0.8
53.03951	8.6
55.01876	1.6
55.05520	0.5
57.04005	0.4
62.74715	0.4
65.03945	1.1
67.05506	0.7
69.03446	0.5
69.95663	2.1
77.03918	2.8
77.63247	0.5
79.05501	59.9
80.05032	1.1
80.05833	1.2
81.03415	1.4
81.07085	0.5
87.68778	0.4
89.03935	0.5
91.05484	13.8
91.06025	0.9
92.02584	0.8
92.06260	2.4
93.05807	0.7
93.07028	2.6
94.04089	1.2
95.04974	9.1
98.20855	0.8
102.04660	0.4
103.05479	44.2
104.05798	0.7
105.04549	4.5
105.07040	100.0
106.07361	1.6
107.04956	6.1
107.08613	4.5
109.01122	0.6
109.06512	1.0
115.05437	0.8
117.07031	0.7
119.03585	3.3
119.04917	2.5
119.06095	0.5
120.05739	15.4
135.04428	6.8
135.05554	1.1
135.08070	56.7
135.11699	1.3
136.01236	0.8
136.02185	7.2
136.03940	1.7
136.06195	31.2
136.07538	2.0
137.04593	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02407	0.8
53.03960	4.0
55.01875	3.4
55.05521	2.9
58.02950	1.5
64.92139	0.7
65.03943	8.4
67.05506	5.6
69.03444	2.4
69.07053	1.1
69.50213	0.8
69.59549	5.4
77.03941	1.7
79.05501	37.0
80.05016	2.1
81.00084	0.7
81.07068	2.9
91.05489	100.0
92.05802	1.8
92.06314	1.7
93.05808	1.1
93.07053	19.2
94.04066	1.9
95.04975	6.3
98.21486	1.6
105.04539	1.9
105.07041	28.3
106.04165	1.5
106.06579	0.7
107.04961	9.2
107.08604	60.1
108.08177	0.7
108.08925	1.4
109.01147	1.0
109.06525	8.1
114.82092	0.7
115.05466	57.4
116.06268	1.7
117.07031	32.0
117.42354	0.9
118.06532	1.9
119.03563	6.8
119.04955	0.6
119.05291	1.1
119.06068	8.3
119.07329	2.4
119.08565	3.7
120.05751	2.9
120.09349	1.1
133.06516	1.6
135.04425	9.9
135.05528	1.8
135.08066	60.8
135.11716	7.8
136.02182	13.5
136.03954	2.2
136.06198	52.6
136.07539	4.8
137.04579	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	135.0805
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
50.07884	0.5
51.02392	0.7
52.57943	0.6
53.03950	4.3
55.01871	3.2
55.05511	2.4
58.02969	1.3
63.02355	0.5
65.03947	7.7
67.05514	4.6
69.03441	2.6
69.07078	1.7
69.24374	5.3
75.32520	0.6
78.04712	0.6
79.05498	35.5
80.05030	1.7
81.03429	0.8
81.07054	2.1
91.05488	100.0
92.02563	1.0
92.05817	1.6
92.06314	1.3
93.05802	1.1
93.07053	19.7
94.04052	2.2
95.04977	4.5
102.04681	1.2
103.05483	1.0
105.04531	2.2
105.07035	25.3
106.04220	0.8
107.04976	7.5
107.08601	58.3
108.04481	0.9
108.08138	1.2
108.08926	1.3
109.01101	1.3
109.06528	9.5
115.05463	56.7
116.06231	2.3
117.07030	30.0
118.06603	2.9
118.07307	1.2
119.03570	5.7
119.04877	0.7
119.05160	0.7
119.06064	8.0
119.07304	1.2
119.08582	2.5
120.05743	3.0
124.08672	0.5
133.06514	1.4
135.04431	8.4
135.05554	1.5
135.08066	61.6
135.11673	6.6
136.02177	13.5
136.06194	50.6
136.07545	5.2
136.08432	1.4
136.11151	0.5
137.04593	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	134.0452
Annotation	D-Aspartate
Peak:m/z	Relative Intensity
59.99270	1.5
68.09679	1.4
70.02948	6.4
70.06609	2.8
70.68999	1.7
70.69336	3.9
71.06925	6.0
74.02451	100.0
79.51163	4.2
80.01214	2.7
82.01421	2.0
88.02667	1.6
88.04000	40.1
88.51711	11.4
91.97198	1.5
100.02490	4.0
101.00893	4.2
106.06576	1.7
116.03494	1.5
116.98715	2.8
117.03989	3.1
119.01908	6.9
119.48977	3.6
125.99242	3.8
128.49512	15.4
128.99553	5.2
129.49329	3.0
131.01923	1.9
134.04488	1.8
136.24600	1.6
137.50032	18.7
138.00070	5.5
138.49864	3.1
142.03554	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	134.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10138	5.5
53.03937	12.2
55.01872	10.1
57.03445	45.3
58.99869	9.1
65.63488	6.2
69.03428	20.6
69.97269	21.9
69.97681	14.9
72.52975	10.1
73.02942	16.1
75.55166	6.1
77.00917	10.0
77.52178	11.9
79.02133	9.2
79.05482	25.9
81.03421	10.7
82.01448	30.0
85.02934	11.3
85.53730	13.6
86.52702	72.4
88.02685	28.1
88.51711	15.7
88.52749	8.3
90.53625	6.3
91.05453	16.6
93.01893	9.4
95.53211	15.4
99.53454	13.4
100.02479	64.6
101.00886	58.9
101.02528	8.5
102.00990	7.7
102.02338	20.3
103.00634	9.3
106.06532	8.1
107.04909	9.2
111.02962	30.8
113.00867	13.0
115.02439	12.7
117.53391	7.5
118.01116	7.1
118.03498	33.7
119.01924	100.0
120.02057	16.1
120.03339	7.6
120.04200	13.1
121.01670	23.5
124.02472	21.3
128.49509	15.6
128.99547	13.2
129.03970	19.7
129.27623	7.2
131.01933	39.0
131.53186	11.3
133.24150	7.3
134.02365	7.1
134.03612	14.7
134.06006	34.4
134.07005	13.2
134.09637	9.6
135.04416	11.1
137.02971	22.7
137.50066	15.9
138.00009	6.7
138.49864	7.9
142.03519	86.3
143.03648	15.7
144.03244	8.8
145.03482	7.8
147.03218	7.0
147.05035	23.5
149.03081	6.5
154.03516	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	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03953	2.7
55.01863	0.7
55.05511	3.5
65.03942	1.5
65.37706	0.5
67.05506	1.1
69.56725	4.0
69.70009	0.6
70.06604	0.9
77.03941	1.1
79.05502	11.0
81.04548	2.3
82.05337	1.5
91.05491	29.9
92.05769	0.9
93.07059	6.4
95.04957	1.4
98.20718	0.6
103.05476	6.3
104.05787	0.6
105.07040	78.1
106.07394	2.2
107.08613	2.0
112.02212	5.6
113.02990	2.4
115.05466	8.4
116.06245	2.2
117.07033	10.5
118.07814	10.7
123.07952	7.2
131.08569	9.5
133.06621	4.3
133.10141	100.0
134.06032	1.1
134.10495	1.8
137.33093	0.6
144.04819	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	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03946	2.0
53.93771	0.4
54.03462	0.7
55.04268	0.6
55.05519	2.8
60.92027	0.5
61.70233	0.5
65.03932	0.7
67.05512	0.7
70.06614	0.8
77.03942	0.6
79.05499	8.7
81.04552	1.6
82.05334	1.2
91.05488	28.4
92.05809	0.6
93.07060	7.0
95.04996	1.1
98.20757	1.5
103.05470	4.8
105.04606	1.1
105.07039	69.9
106.07349	1.2
107.08632	1.8
112.01564	0.5
112.02200	3.4
113.02988	1.9
115.05455	7.6
116.06264	1.4
117.07018	10.1
118.07825	9.3
123.07945	6.0
125.03012	0.7
129.06992	1.1
131.08589	9.2
133.06508	1.5
133.10143	100.0
134.10497	2.6
144.04756	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.05522	3.2
59.97420	0.4
65.03915	0.6
69.75988	0.9
69.76407	1.7
77.03902	0.7
79.05495	7.9
80.95675	0.5
82.05319	0.6
91.05484	24.7
92.05754	0.5
93.07043	5.4
95.04967	1.4
103.05476	5.0
105.07035	63.6
106.06655	0.4
106.07365	1.3
107.08604	1.8
112.02197	2.1
113.03013	0.5
115.05460	7.6
116.06233	1.5
117.07039	9.0
118.07809	9.9
123.07964	3.1
129.07013	0.7
131.08574	8.9
133.10133	100.0
134.10437	2.3
154.75183	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02383	0.6
52.45430	0.6
53.03948	2.7
55.05516	3.3
56.89486	0.6
65.03947	0.7
69.16361	1.0
69.16763	5.1
72.20817	0.5
77.44292	0.7
79.05063	1.0
79.05491	9.4
81.04548	1.6
91.05488	30.9
91.60568	0.6
92.05801	1.1
92.51488	0.6
93.07056	6.6
95.04969	1.4
103.05487	6.3
104.80590	0.6
105.07037	100.0
106.07353	1.5
107.08593	1.8
112.02204	3.0
113.02970	1.7
115.05447	6.3
116.06242	1.8
117.07033	8.6
118.07050	0.9
118.07816	9.7
123.07941	5.4
129.07007	0.9
131.07610	0.8
131.08583	12.4
133.10139	67.3
134.10490	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	133.1014
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02374	0.3
53.03948	0.9
54.03462	0.4
55.04263	0.4
55.05269	0.4
55.05516	5.2
56.90643	0.3
65.03946	0.5
67.05519	1.4
71.50303	0.4
72.52465	0.2
77.03932	0.4
79.03075	0.3
79.05499	6.3
81.04549	1.0
82.05345	0.7
87.10035	0.3
91.05485	34.4
92.05820	0.7
93.07049	2.9
95.04971	0.8
103.05454	2.8
105.07037	100.0
106.07359	1.9
107.08582	0.7
109.84210	0.3
110.75996	0.3
111.56676	0.3
112.02195	1.9
113.02979	1.0
115.05455	2.5
116.06270	0.4
117.07030	2.8
118.07820	3.0
123.07939	2.5
129.07060	0.3
131.08572	6.8
133.10136	37.5
134.10469	0.8
144.04805	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03955	1.9
55.05514	2.2
61.50069	0.3
65.03950	1.0
67.05518	0.5
69.59647	0.6
69.60065	1.7
79.05498	7.8
91.05490	22.1
92.05798	0.6
93.07053	5.9
95.04958	1.6
103.05473	4.2
105.07038	57.4
106.07352	0.6
107.08589	1.5
107.22253	0.4
112.02193	0.4
115.05466	6.9
116.06211	1.8
117.07027	9.2
117.07861	0.5
118.07815	9.7
129.07005	0.6
131.08578	8.2
133.10139	100.0
134.10497	2.2
138.46678	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
55.05517	3.1
58.27176	0.7
62.22934	0.6
62.81422	0.6
65.03947	0.9
67.05524	1.1
68.47074	0.6
69.40904	4.8
72.10654	0.6
77.03925	0.8
79.05500	9.2
81.04530	0.9
91.05491	24.5
93.07059	5.6
95.04967	1.3
103.05473	4.7
105.07042	64.4
106.07387	0.9
107.08603	1.9
112.02191	1.4
113.02957	1.0
115.05476	7.2
116.06242	1.8
117.07038	10.6
118.07819	8.1
123.07930	2.1
131.08578	7.7
133.10146	100.0
134.10480	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	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03954	1.2
55.05518	2.9
64.35200	0.6
67.05509	1.0
67.95450	0.6
69.17643	3.9
69.18050	1.8
75.73505	0.5
77.03928	0.7
79.05502	7.2
80.36565	0.5
91.05489	26.7
92.05798	1.1
93.07060	4.3
95.04990	1.4
97.84539	0.5
98.20747	1.0
103.05466	4.3
105.07038	100.0
106.07370	2.1
107.08611	1.2
110.37442	0.5
112.38274	0.7
115.05460	7.8
116.06251	1.7
117.07019	8.7
118.07824	7.3
129.06999	1.2
131.08580	13.8
133.10141	60.5
134.10475	1.7
152.99025	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02412	0.4
52.34933	0.3
52.55683	0.3
53.03947	1.8
54.03471	7.5
54.51929	0.3
55.01881	2.8
55.04256	8.2
55.05503	0.6
56.05032	0.5
56.96580	2.0
57.03439	1.8
58.06605	0.4
58.99590	1.2
58.99880	1.3
59.52200	3.1
60.95850	0.5
61.01147	1.8
65.03944	1.8
65.52215	0.4
66.52977	1.4
67.02177	0.5
67.05506	0.6
67.53384	0.3
68.05030	1.5
68.52714	1.0
68.99778	1.1
69.03429	1.7
70.02953	1.7
70.06595	12.6
70.07396	0.9
70.33293	1.1
70.99545	1.7
70.99905	0.8
71.01394	0.5
71.04996	2.6
72.00358	2.4
72.08154	1.0
72.52989	0.5
72.93761	0.4
73.02914	2.0
74.02446	10.3
74.06085	0.5
75.01062	0.6
77.00931	1.0
78.52965	0.9
79.05494	2.0
80.05015	1.0
80.75524	0.4
81.04544	29.8
81.39013	0.3
82.01453	2.8
82.04892	1.0
82.05324	18.2
82.05817	0.9
83.05669	0.6
83.72471	0.4
84.08167	0.6
85.01117	4.8
85.02911	0.8
86.01920	1.5
86.09715	1.0
86.52696	0.8
87.02702	2.7
87.04448	0.5
87.05597	2.1
87.10034	5.4
88.02705	0.6
88.03999	2.2
90.49426	0.4
91.02460	1.9
91.05486	1.6
91.51921	0.4
92.04991	0.4
93.02029	0.4
95.04987	0.5
95.06082	0.5
95.53203	0.5
96.04388	0.7
96.06863	0.6
97.01129	0.9
97.07674	0.7
98.00642	0.6
98.01898	1.3
99.01424	1.4
99.02702	0.7
100.02500	7.1
100.52429	3.7
100.53331	0.8
101.00890	1.4
101.02454	1.6
102.02315	1.1
102.09187	3.5
102.96875	0.6
103.01361	0.7
103.02433	2.5
103.46049	0.4
105.04536	0.6
105.07026	7.5
106.01041	0.9
106.06554	0.8
107.04920	0.4
108.05599	2.1
109.03529	0.6
109.52894	0.4
110.02097	0.7
110.52538	0.4
112.02195	71.4
112.07623	1.0
113.02990	37.5
113.54994	0.4
114.03271	0.7
114.03974	0.8
115.02454	0.8
115.03960	0.5
116.03462	0.5
116.07087	1.7
118.03513	2.4
118.05418	0.4
119.01904	2.4
119.02682	1.1
120.03259	0.5
121.03475	1.3
121.04669	0.7
121.52940	0.4
122.04560	0.5
122.07167	3.2
123.07937	100.0
124.02245	1.5
124.05463	3.1
124.07536	0.5
124.08313	4.6
125.02963	4.4
126.03740	6.9
126.05367	0.3
129.03947	0.5
130.53429	0.7
131.01907	1.1
131.08569	0.5
132.05087	0.7
132.95811	0.5
133.03561	2.5
133.04984	1.1
133.05905	7.4
133.07541	4.8
133.10103	2.9
133.56184	0.8
134.06021	2.2
134.07150	1.0
134.11761	1.1
142.03523	1.4
143.04027	2.8
144.04793	22.7
145.03503	0.5
145.05103	1.2
146.04466	0.4
147.01407	0.5
149.08221	1.5
150.96935	0.6
151.04509	1.5
154.03514	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.0
55.01854	6.1
56.05022	2.9
57.03428	5.5
58.06607	8.2
58.99572	5.1
58.99862	3.7
59.06936	2.6
59.07389	10.4
59.52205	2.3
60.08157	5.9
61.01155	34.3
66.01951	1.7
68.05045	2.1
68.24530	2.1
69.03426	3.9
69.07070	8.4
70.00784	8.1
70.06601	53.5
70.07406	23.5
70.99857	3.6
72.00345	2.5
73.01422	2.6
73.02934	2.7
74.02430	3.7
74.06061	4.7
74.99046	2.0
75.02693	1.8
75.04470	1.9
79.05463	2.0
80.05834	11.7
81.01907	1.9
81.04530	3.1
82.01426	4.0
84.08142	2.5
85.01412	5.4
85.02891	7.3
86.09726	4.1
87.02703	41.1
87.10034	9.2
88.03960	2.6
90.95819	1.8
91.02487	4.1
97.02902	2.4
97.08469	5.8
98.06864	3.1
98.20885	2.5
100.02493	6.0
101.00335	2.2
101.00900	13.8
102.02257	2.6
102.09191	100.0
103.02448	15.5
104.10725	1.7
105.00069	3.2
105.07028	2.0
107.03441	1.8
110.53708	1.7
112.02199	5.7
113.00907	2.2
113.02967	2.4
115.02464	3.2
115.09509	11.8
116.07088	7.6
119.01936	22.7
120.02015	1.9
121.03501	5.5
122.04501	1.8
123.07926	7.8
130.54047	2.4
131.01898	2.5
133.03450	23.7
133.07668	2.1
133.10497	5.0
134.11780	29.6
137.02963	6.2
144.04968	2.1
145.01588	1.7
151.04501	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.0
55.01854	6.1
56.05022	2.9
57.03428	5.5
58.06607	8.2
58.99572	5.1
58.99862	3.7
59.06936	2.6
59.07389	10.4
59.52205	2.3
60.08157	5.9
61.01155	34.3
66.01951	1.7
68.05045	2.1
68.24530	2.1
69.03426	3.9
69.07070	8.4
70.00784	8.1
70.06601	53.5
70.07406	23.5
70.99857	3.6
72.00345	2.5
73.01422	2.6
73.02934	2.7
74.02430	3.7
74.06061	4.7
74.99046	2.0
75.02693	1.8
75.04470	1.9
79.05463	2.0
80.05834	11.7
81.01907	1.9
81.04530	3.1
82.01426	4.0
84.08142	2.5
85.01412	5.4
85.02891	7.3
86.09726	4.1
87.02703	41.1
87.10034	9.2
88.03960	2.6
90.95819	1.8
91.02487	4.1
97.02902	2.4
97.08469	5.8
98.06864	3.1
98.20885	2.5
100.02493	6.0
101.00335	2.2
101.00900	13.8
102.02257	2.6
102.09191	100.0
103.02448	15.5
104.10725	1.7
105.00069	3.2
105.07028	2.0
107.03441	1.8
110.53708	1.7
112.02199	5.7
113.00907	2.2
113.02967	2.4
115.02464	3.2
115.09509	11.8
116.07088	7.6
119.01936	22.7
120.02015	1.9
121.03501	5.5
122.04501	1.8
123.07926	7.8
130.54047	2.4
131.01898	2.5
133.03450	23.7
133.07668	2.1
133.10497	5.0
134.11780	29.6
137.02963	6.2
144.04968	2.1
145.01588	1.7
151.04501	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	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
65.03941	1.2
70.58884	0.7
70.59222	1.2
72.08163	2.0
80.90201	0.5
84.04511	0.7
84.08151	2.7
85.02927	0.7
85.04343	0.6
85.04837	3.6
85.07915	0.8
85.08477	14.2
85.44587	0.5
86.09709	3.1
91.05488	100.0
92.05830	1.7
95.04975	0.7
103.05481	8.9
105.07008	0.7
113.07917	1.6
115.05461	8.6
116.06255	26.2
128.06232	2.3
129.07011	14.7
130.07300	0.9
131.04887	1.4
131.08569	80.9
132.04391	0.7
132.08070	0.7
132.08919	1.9
133.06519	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1022
Annotation	L-Isoleucine
Peak:m/z	Relative Intensity
53.03941	0.6
55.05516	0.6
58.06602	2.2
59.07386	1.0
63.55738	0.5
67.05497	0.6
68.05026	0.6
69.03396	0.5
69.07076	23.0
70.06596	0.6
71.22481	0.9
72.08141	0.8
72.64553	0.5
73.06568	1.5
79.05507	4.5
85.02893	0.6
86.09715	100.0
87.10054	1.7
92.99665	0.5
96.08134	2.6
97.06533	1.3
114.09186	4.7
115.07597	0.5
117.02202	0.8
132.10220	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	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
60.05665	0.9
65.03941	1.4
69.07108	0.5
71.50320	0.9
72.08163	2.6
72.60945	0.6
84.04497	0.9
84.08146	2.9
85.02923	0.7
85.04832	3.4
85.07935	0.8
85.08478	9.0
86.09712	2.7
91.05489	100.0
92.05829	1.3
95.04936	0.7
103.05479	6.2
105.07054	0.9
113.07922	0.9
115.05482	7.6
116.06255	25.7
122.26458	0.6
128.06235	2.0
129.07014	14.5
129.07925	1.1
131.08577	76.7
132.08058	1.0
132.08928	1.8
143.06044	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	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.3
51.02379	0.7
53.03713	0.4
53.03951	5.0
54.02520	0.2
55.01869	0.3
56.96562	0.2
57.03435	0.2
60.05653	0.5
69.48151	0.9
69.48557	0.4
70.03752	0.3
72.08164	2.7
73.56847	0.2
77.03934	1.2
81.03423	0.4
84.08137	0.3
85.02910	0.5
85.04836	0.8
85.08472	1.2
86.09702	0.5
91.05489	6.8
92.05862	0.2
95.04973	4.7
101.69373	0.2
102.04684	1.5
102.14493	0.2
102.32567	0.2
103.05473	100.0
104.05808	2.1
105.04523	3.0
113.07979	1.0
114.10265	0.4
115.05449	0.4
116.06236	1.7
129.07018	1.0
131.04939	13.5
131.06894	0.7
131.08557	5.8
132.05257	0.3
144.08086	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.6
53.03949	6.5
53.93567	0.3
55.01851	0.5
56.96559	1.1
57.03422	0.6
57.07072	1.0
58.07409	0.7
60.05651	2.8
62.42718	0.3
65.82583	0.3
69.03432	1.2
69.07056	0.6
69.33717	2.5
70.03755	1.0
70.06602	0.4
70.07430	0.3
71.92995	0.5
72.08158	10.1
72.93761	0.6
75.10052	0.4
77.03923	1.0
81.03396	0.6
84.04494	0.9
84.08127	1.6
85.02930	1.7
85.04296	0.3
85.04834	2.2
85.08476	4.1
86.05996	0.4
86.09721	3.4
88.33698	0.3
89.90650	0.4
89.93983	0.5
90.90361	0.6
91.05487	8.2
95.04979	5.6
97.07648	0.5
102.04688	1.1
103.05471	100.0
104.05810	2.2
105.04531	2.5
113.02357	0.6
113.07949	3.7
114.10289	1.6
115.05467	0.8
116.06281	2.8
129.06964	1.5
131.04936	12.9
131.06924	2.4
131.08521	6.2
131.12975	0.3
131.16260	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.1593
Annotation	Octylamine
Peak:m/z	Relative Intensity
56.05036	4.5
57.07085	88.4
61.29773	1.0
67.05484	1.0
69.03437	22.4
69.07079	1.4
70.06597	3.5
71.22729	1.8
72.08149	4.1
74.09729	55.7
75.10023	1.1
77.29504	1.2
78.16441	1.0
82.06593	2.4
84.04515	37.1
84.08157	56.1
85.02940	1.3
85.08498	1.3
89.45381	1.0
94.01197	1.2
103.05471	3.4
103.06970	1.1
111.16801	1.1
112.07622	51.1
113.11549	1.6
114.62521	1.2
130.05042	2.7
130.06546	19.6
130.08649	14.5
130.15935	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0654
Annotation	Isoquinoline
Peak:m/z	Relative Intensity
51.02384	0.3
53.03952	1.8
55.01880	0.3
55.05515	0.3
56.05036	2.4
57.03428	0.2
57.07076	0.7
64.59319	0.2
67.05499	0.5
69.03435	8.5
69.07070	0.9
69.76501	1.2
70.06607	1.4
71.05006	0.3
72.08147	0.7
77.03936	0.8
77.27751	0.2
81.03413	0.3
82.06584	0.6
84.04510	20.6
84.08147	27.4
85.02914	0.4
85.08472	0.5
88.52464	0.2
88.74646	0.2
90.50179	0.2
91.05489	1.2
95.04970	1.7
97.07676	0.2
98.21506	0.3
102.04675	0.7
102.73872	0.2
103.05473	25.0
105.03958	0.2
105.04519	1.4
110.68936	0.2
112.07612	18.8
113.07950	0.2
113.11622	0.3
116.06252	0.3
128.04993	2.1
129.07013	0.4
130.06535	100.0
130.15904	0.5
131.04945	1.6
131.06879	2.1
131.08485	0.9
146.06029	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0654
Annotation	Quinoline
Peak:m/z	Relative Intensity
50.01605	0.2
51.02388	0.2
53.03948	1.5
55.01882	0.2
55.05516	0.2
56.04786	0.3
56.05040	3.0
57.07074	0.6
58.06601	0.2
60.05634	0.2
60.59389	0.2
67.05500	0.5
69.03438	6.4
69.07069	0.8
70.06605	1.7
70.64322	0.4
71.04983	0.4
72.08161	0.4
74.09731	0.4
77.03941	0.5
82.06589	0.7
84.04515	19.3
84.08152	37.0
85.02932	0.3
85.08454	0.4
89.08769	0.2
91.05492	1.8
94.06591	0.3
95.04974	1.3
97.76206	0.1
102.04700	0.5
103.05479	12.2
104.05812	0.2
105.04551	0.7
108.61129	0.2
112.07618	14.9
115.05482	0.9
116.06242	0.5
117.96052	0.2
127.41630	0.2
128.04994	2.4
129.07048	1.0
130.06540	100.0
130.15945	0.9
131.06906	1.6
131.08534	1.7
146.06052	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0653
Annotation	Quinoline
Peak:m/z	Relative Intensity
50.34574	0.2
50.96137	0.2
51.02369	0.3
53.03951	1.5
56.05050	1.0
57.07083	0.3
64.05508	0.2
66.82368	0.2
67.05495	0.5
69.03434	5.8
69.07064	0.7
69.59998	0.2
69.65045	0.3
69.65453	0.9
70.06593	0.4
71.04999	0.3
72.08160	0.6
77.03924	0.8
82.06575	0.4
84.04511	9.1
84.08147	12.9
85.08472	0.3
95.04958	1.3
102.04689	0.5
103.05473	13.0
104.04991	0.3
105.04518	0.9
112.07614	12.9
113.07983	0.2
128.04962	2.2
130.06534	100.0
130.15836	0.3
131.06853	2.1
146.06036	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
56.05037	1.7
57.07069	0.4
67.05502	0.3
68.05037	0.2
69.03432	8.0
69.07060	0.9
69.47098	1.4
70.06596	1.3
71.04997	0.4
72.08142	0.4
72.09696	0.2
77.03921	0.5
79.50620	0.2
81.03394	0.2
82.06579	0.5
84.04510	14.5
84.08147	21.5
85.02882	0.4
85.08474	0.4
86.94598	0.2
95.04976	1.2
98.20764	0.4
102.04689	0.3
103.05473	12.0
105.04526	0.6
112.07613	16.7
113.11584	0.5
128.04997	1.8
130.06534	100.0
130.15910	0.4
131.06886	1.6
146.06021	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85596	0.4
55.01864	0.7
55.05508	1.8
55.93533	0.7
56.05034	3.3
56.96582	1.0
57.03444	0.8
58.06604	18.4
59.21117	0.4
61.22169	0.4
67.05515	0.5
68.05051	0.5
68.99792	2.8
69.03433	4.7
69.07062	0.7
69.95003	1.5
70.06596	9.0
72.08162	21.3
73.08480	0.4
76.64169	0.4
77.00845	0.5
81.03436	0.6
82.01460	1.0
82.06605	0.4
83.04961	0.9
83.06112	1.9
83.06905	0.6
84.04511	15.8
84.08150	100.0
85.02905	1.4
85.08474	1.1
86.06080	0.4
97.02901	0.8
97.04023	6.4
98.21378	0.6
98.97609	0.8
100.02487	1.6
100.52461	1.1
101.00885	2.0
103.02509	0.6
112.07619	9.4
112.11253	95.7
113.00928	0.4
113.11593	1.7
118.03496	0.6
119.01927	2.6
128.95116	0.5
129.01877	1.6
129.05518	0.7
129.10222	0.9
129.11089	0.7
129.13887	16.2
130.04980	1.1
130.08658	4.7
131.01900	0.9
133.01672	0.9
133.03548	0.6
147.01427	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.1119
Annotation	Sulcatone
Peak:m/z	Relative Intensity
53.03938	8.4
55.01861	5.9
55.05513	7.1
57.03430	4.1
67.05180	4.9
67.05511	58.4
69.07072	66.0
70.12935	6.9
71.05004	32.8
75.67897	2.6
81.03413	10.5
81.07052	17.1
82.06580	3.1
88.11938	3.3
98.21406	3.2
100.07623	2.8
100.19650	2.4
109.02882	8.2
109.10164	100.0
127.03925	40.5
127.11176	5.5
141.60278	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	127.0756
Annotation	1-Cyclohexenecarboxylic acid
Peak:m/z	Relative Intensity
53.03710	0.7
53.03949	11.1
54.29103	0.4
54.58858	0.4
55.01873	7.0
55.05514	3.7
57.03444	4.7
59.05004	1.8
65.03947	1.2
66.04720	1.0
67.01846	0.5
67.05515	2.8
67.93571	0.5
69.03429	4.0
70.06607	0.6
70.64446	0.9
71.05000	8.2
79.05497	39.9
81.03425	16.3
81.04537	0.7
81.07060	100.0
82.02943	0.6
82.06583	4.1
82.07388	1.1
83.01331	0.5
83.04991	2.6
84.08147	1.8
85.02897	1.6
85.06548	8.6
86.67580	0.5
95.04985	0.5
97.02910	0.9
99.04463	4.4
99.08082	0.8
100.07637	1.1
109.02145	0.9
109.02892	18.9
109.06523	41.3
112.05234	0.4
123.42298	0.5
127.03928	47.5
127.04928	1.5
127.07562	12.9
128.04303	0.9
128.07079	1.9
128.10663	0.6
137.96275	0.5
140.63609	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85808	0.7
53.03714	1.1
53.03952	16.7
55.01875	9.3
55.05517	4.5
57.03443	4.1
59.04993	1.9
65.03941	1.6
67.05504	2.2
67.93560	1.1
69.03437	6.8
70.06594	1.1
70.08011	1.6
70.08376	1.5
71.01360	0.8
71.04999	9.5
76.49825	0.7
79.05499	39.8
81.03423	20.8
81.04538	1.0
81.07060	100.0
82.06597	4.1
82.07362	1.0
83.04980	2.3
84.08145	2.8
85.02905	1.7
85.06549	10.1
95.95612	0.6
97.02930	0.9
99.04477	6.8
99.08121	0.9
100.07644	1.4
103.22872	0.7
109.02883	23.1
109.06522	37.7
110.06024	0.8
122.16437	0.7
127.03928	64.4
127.07564	11.7
128.04251	0.9
128.07086	2.8
128.10738	1.0
146.16495	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
54.03453	1.6
55.01865	1.0
55.05515	22.9
56.05046	5.0
57.04539	1.2
57.07082	7.0
58.06598	1.9
59.06126	1.9
67.05503	2.2
68.05019	4.0
69.03400	2.5
69.04543	1.3
69.05800	1.7
69.07073	100.0
70.06586	3.1
70.07405	1.3
71.01338	1.5
71.51404	1.4
79.05511	5.0
80.05004	3.8
81.04545	1.8
81.05362	2.3
81.07046	2.0
82.06590	5.3
83.04977	3.4
83.06112	6.8
83.07348	2.1
83.08624	19.1
84.04506	4.6
84.05630	3.4
84.06439	2.6
84.08142	6.0
85.07655	3.6
91.48386	1.0
94.19698	0.9
95.04927	1.1
96.04476	1.0
96.08115	1.0
97.02902	14.4
97.03995	1.7
97.04807	2.5
97.06514	1.5
97.07640	3.7
98.06062	1.2
98.09719	1.5
107.06094	1.8
107.08540	2.2
108.04491	4.3
108.05647	1.0
108.06401	1.7
108.08075	1.9
109.07639	2.8
110.08417	1.6
113.92553	0.9
125.02338	2.6
125.03484	1.8
125.04288	8.3
125.05985	4.7
125.07111	8.8
125.08251	18.1
125.09055	42.1
125.10719	16.0
126.05495	5.4
126.06524	1.7
126.09155	7.4
126.10243	3.8
126.12790	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	125.0964
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
55.01875	6.9
55.05518	32.4
57.03445	5.0
59.05014	3.0
65.03915	5.6
65.68792	3.2
67.05494	5.4
69.03436	29.3
69.07059	8.8
71.04987	4.3
71.34534	6.3
79.05502	49.3
81.07059	30.2
81.62014	3.4
83.04989	85.9
91.05483	39.9
97.02891	11.4
97.06526	12.5
105.07013	13.4
107.08601	83.5
109.06511	8.3
125.02372	5.2
125.08767	6.8
125.09641	100.0
125.15414	3.3
126.05608	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	125.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.2
55.01865	10.9
55.05517	42.0
57.03435	4.4
58.29310	2.5
65.03947	4.4
65.32952	3.2
67.05503	8.3
69.03439	33.1
69.07070	14.3
70.83488	6.6
71.01353	7.0
71.05006	3.1
79.05501	66.8
80.05005	7.7
81.03444	5.5
81.05329	5.1
81.07063	33.0
82.06593	3.5
83.04987	100.0
83.08623	4.3
91.05489	37.2
95.04957	7.0
95.08590	4.4
95.52929	2.8
96.05778	3.5
97.02898	59.5
97.04815	5.8
97.06540	20.7
97.07635	2.8
97.10167	5.1
98.06081	5.4
102.02258	3.8
105.07041	17.4
107.04949	5.4
107.08599	95.8
108.04484	5.1
109.06521	8.9
119.06099	4.7
125.02367	14.8
125.04298	17.9
125.06012	11.4
125.07074	4.7
125.09645	92.5
125.10593	5.1
126.05537	9.5
126.09147	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	125.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.0
55.01877	12.1
55.05276	3.0
55.05516	44.5
56.05021	2.3
57.03428	6.1
57.07086	2.2
59.05001	3.9
65.03936	7.8
67.05497	5.9
68.05011	4.3
69.03434	32.3
69.04562	4.6
69.07060	10.6
69.41003	5.2
69.41406	11.2
70.06584	2.7
71.01350	7.9
71.04990	1.8
75.02766	2.0
75.13958	2.1
79.05499	65.4
80.05020	8.4
81.03429	3.5
81.05353	2.2
81.07060	31.8
82.06581	8.6
82.82621	2.1
83.04986	79.8
83.06078	2.8
83.07359	4.5
83.08633	2.1
84.08157	5.5
91.05487	37.2
95.04958	7.0
95.08608	4.1
96.05779	1.9
97.02897	68.6
97.03931	3.0
97.04818	7.8
97.06546	16.4
98.06092	2.3
102.02232	8.4
103.06672	1.8
105.07043	19.9
107.04953	4.4
107.08601	83.1
108.04475	9.8
109.06530	7.6
110.07272	2.7
113.04318	2.0
119.06082	4.8
120.03304	3.3
125.02364	17.6
125.03445	2.1
125.04310	24.6
125.06013	9.8
125.07098	2.9
125.09639	100.0
126.05522	10.7
126.09137	11.0
138.03043	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	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06612	0.5
60.91048	0.2
70.22197	0.8
70.99852	1.1
74.09725	3.5
77.00933	0.3
78.03474	0.3
79.05490	0.6
80.05025	1.0
81.04575	0.3
81.05345	0.5
82.01453	0.8
82.99845	6.7
83.01530	0.9
89.00879	0.3
95.06091	0.4
96.04475	0.5
100.02498	1.2
101.00890	58.0
101.02619	1.0
102.00998	0.9
102.02272	0.4
110.04767	0.7
111.00443	0.5
119.01929	100.0
120.02004	2.5
121.02359	0.7
124.02491	0.6
124.03982	3.3
124.05910	0.6
124.08684	0.4
124.09480	1.7
125.07117	0.4
137.02968	17.0
138.03111	0.4
142.03511	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	124.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72722	0.2
58.99862	0.3
70.99875	0.7
71.19313	0.3
71.19649	0.3
82.01446	0.9
82.99849	8.2
83.01542	1.2
84.01195	0.5
87.45094	0.3
100.02481	0.8
101.00893	62.9
101.02503	1.6
102.00932	1.6
102.02274	0.4
111.00474	0.8
119.01933	100.0
120.02009	2.3
124.02448	0.9
124.03973	0.6
124.05882	0.3
137.02968	14.7
138.03052	0.4
142.03514	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	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54474	0.3
55.74032	0.3
71.19148	0.6
82.01439	0.6
82.52966	0.3
82.99847	7.9
83.01520	1.5
84.26980	0.3
100.02507	1.0
101.00889	56.0
101.02537	2.2
102.00973	0.8
111.00444	0.8
119.01929	100.0
120.01955	1.4
121.02346	0.4
124.02459	1.2
137.02966	14.2
142.03513	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	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99869	0.2
60.00632	0.1
68.05023	0.1
70.90527	0.1
70.90858	0.1
70.99853	0.1
77.00903	0.1
78.03455	0.2
79.05502	0.1
80.05025	0.3
81.05358	0.1
82.01461	0.4
82.99844	3.9
83.01497	0.6
83.99927	0.1
84.01189	0.2
96.03902	0.1
96.04503	1.5
96.05212	0.1
96.08117	0.1
97.02908	0.2
100.02490	0.9
101.00884	36.9
101.02547	1.7
102.00941	0.7
102.02227	0.4
103.01321	0.1
106.06581	0.1
111.00454	0.3
112.03991	0.6
118.03535	0.4
118.82692	0.1
119.01923	100.0
119.20893	0.1
120.01995	2.3
120.03263	0.1
121.02358	0.5
124.02553	0.6
124.03953	2.8
124.05910	0.1
124.07597	0.5
124.08570	0.1
125.04258	0.1
133.03493	0.1
137.02957	23.6
138.03027	0.6
139.03345	0.1
140.03400	0.4
142.03499	4.8
143.03653	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	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.7
53.00296	0.6
53.03951	11.0
55.01864	1.8
55.05511	7.7
57.07074	3.4
62.70825	0.6
65.03934	2.8
67.05510	32.3
68.05003	1.8
69.07078	1.8
70.71429	1.5
77.03928	1.5
78.03457	7.0
79.05496	16.6
80.05020	49.1
81.03420	1.5
81.04547	1.1
81.07060	74.3
82.01452	8.4
82.06570	0.8
90.95329	0.5
91.05486	1.7
93.07050	5.8
95.04975	41.7
95.06077	2.5
95.08609	25.9
96.04500	23.7
96.05183	0.6
96.08154	1.0
96.08955	1.0
96.64755	0.6
100.02486	23.1
101.00851	1.5
101.02612	0.8
105.04526	4.1
105.07048	3.5
106.02941	2.8
107.04950	0.7
108.05740	5.8
108.09427	0.9
112.03996	3.6
118.03542	9.8
119.01940	5.3
121.10171	1.1
123.04460	15.4
123.05558	100.0
123.08065	25.7
123.09160	2.4
123.11700	18.2
124.03963	25.7
124.07570	1.7
125.48220	0.6
133.23441	0.6
137.02969	1.7
140.03461	1.4
142.03540	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Santene
Peak:m/z	Relative Intensity
53.03948	1.5
55.05518	4.2
57.07082	5.8
65.03934	0.9
67.05511	13.2
69.07071	2.8
70.07030	1.1
79.05496	16.1
80.05034	2.3
80.05818	0.5
81.07060	100.0
82.07378	0.9
93.07050	1.7
94.07861	0.8
94.14056	0.4
95.04984	1.4
95.08612	12.6
96.04490	1.3
103.52035	0.5
105.07037	0.4
108.09363	0.5
121.10139	1.6
123.04520	0.5
123.04665	0.6
123.05566	4.6
123.08069	1.8
123.09152	0.4
123.11710	19.9
124.03934	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	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27971	0.5
53.00294	0.5
53.03948	4.3
55.05515	5.1
57.07080	4.6
65.03942	1.6
65.78529	0.6
67.05511	15.8
69.07067	2.9
69.57274	2.8
77.03954	0.9
78.03464	2.3
79.05502	17.8
80.05025	18.3
80.05782	0.7
81.03436	0.9
81.07065	100.0
82.01460	1.8
82.07403	1.2
93.07056	2.4
94.07823	0.9
95.04984	6.5
95.08614	14.7
96.04501	9.6
100.02512	2.4
105.04541	0.5
105.07037	0.8
106.02928	1.2
108.05759	0.7
108.09438	0.5
112.03990	1.3
118.03519	0.6
121.10147	1.8
123.04500	3.1
123.05566	36.2
123.08068	6.1
123.09200	1.5
123.11721	22.5
124.03968	11.6
124.05896	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03946	9.2
55.01870	2.2
55.05515	13.3
57.07077	5.8
57.77090	0.8
65.03937	3.4
67.05509	47.5
68.05027	1.2
69.03417	1.6
69.07059	2.6
70.94771	1.9
77.03936	1.2
78.03463	4.4
79.05499	25.9
80.05022	47.8
80.06281	1.7
81.03422	2.5
81.07060	100.0
82.01434	6.3
86.47357	0.8
87.58002	0.9
87.58614	0.8
91.05473	2.3
93.07045	12.0
95.04978	37.9
95.06014	1.5
95.08612	47.5
96.04501	22.0
100.02487	14.9
101.00905	1.0
103.05471	2.2
105.04530	4.5
105.07036	12.0
106.02945	2.9
107.04954	5.4
108.05753	31.3
112.03969	2.5
118.03518	7.1
119.01936	3.0
121.06524	3.8
123.04489	8.0
123.05563	94.7
123.08072	92.9
123.09092	2.7
123.11708	24.3
124.03959	25.2
124.04845	1.6
124.05861	1.6
124.07600	1.5
124.08414	1.3
140.03374	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	123.0556
Annotation	Picolinamide
Peak:m/z	Relative Intensity
51.02377	0.4
51.99095	0.4
53.03945	1.6
58.06604	0.8
67.05495	0.9
69.78738	1.3
69.79148	0.8
69.96881	0.4
74.09725	5.6
77.03946	0.5
78.03465	14.7
78.52966	0.4
80.05028	40.9
81.03410	0.8
82.01456	5.7
82.99837	1.7
85.02879	0.6
95.04984	1.7
96.03912	0.9
96.04504	12.5
98.21485	0.8
100.02493	12.3
101.00896	13.3
105.34863	0.5
106.02931	21.2
110.79533	0.4
118.03535	3.4
119.01935	29.7
120.02364	0.3
123.05566	100.0
123.09387	1.1
124.03977	6.0
124.05940	0.7
124.09460	2.3
131.01949	1.1
137.02962	5.6
142.03554	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	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02371	1.9
53.03707	1.2
53.03948	13.9
54.03468	1.7
55.01872	1.1
55.05514	8.4
65.03959	4.4
67.05505	4.1
70.80749	2.3
77.03918	3.0
78.04781	1.1
79.05496	42.9
80.74786	0.9
81.03407	2.1
81.04543	20.9
81.07055	5.0
82.05320	1.3
86.59099	1.0
91.05483	48.0
93.04496	1.2
93.07050	100.0
94.06562	1.8
94.07394	1.5
95.04974	12.7
103.05470	17.6
105.04527	8.5
105.07038	54.2
106.04102	1.0
106.07813	7.2
119.08589	7.9
120.05618	2.8
121.02823	2.5
121.04038	1.8
121.06480	13.7
121.07622	1.9
121.09398	1.5
121.10151	34.0
122.06248	1.7
122.07159	10.4
122.09688	4.2
123.08067	3.7
133.07634	4.6
138.21230	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	1.0
52.99942	0.7
53.03952	15.5
55.01876	1.7
55.05511	7.9
65.03945	5.9
67.05511	7.5
71.50802	1.0
77.03923	3.3
79.05498	62.0
80.05000	1.0
80.05827	0.7
81.03419	1.9
81.04535	0.9
81.07056	2.1
91.05487	38.4
92.05827	1.3
93.03426	0.7
93.04530	1.4
93.07050	59.7
94.06564	1.9
94.07374	0.7
95.04980	15.4
103.05473	34.4
104.05807	2.0
105.04543	8.5
105.07037	100.0
106.07872	7.1
111.04431	0.8
119.08597	15.7
120.05727	0.7
121.02914	5.4
121.04001	3.8
121.06525	23.3
121.07594	1.3
121.10152	54.8
122.06049	2.7
122.09679	1.5
122.10487	1.7
123.08077	7.9
133.07635	7.3
138.06766	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02377	2.2
53.03717	1.1
53.03951	17.9
55.01860	2.8
55.05504	3.1
56.96580	1.0
61.50003	1.0
65.03946	6.2
67.05507	3.0
71.02424	2.1
77.03938	3.9
78.04704	2.9
79.05502	49.8
79.45316	0.9
80.05815	1.2
81.03429	2.0
81.07047	1.5
91.05489	42.3
92.05789	1.6
93.03404	0.9
93.04543	1.2
93.07050	50.3
94.06554	1.7
94.87411	0.8
95.04978	16.7
101.70300	0.9
103.05474	32.9
104.05067	0.9
104.05802	3.7
105.04544	9.5
105.07040	100.0
106.04151	1.0
106.07861	8.3
115.23571	0.9
119.08584	15.1
120.05692	1.9
121.02906	4.7
121.04018	2.3
121.06522	37.2
121.08387	5.4
121.10149	54.1
122.06031	2.6
122.10469	1.4
123.08077	9.7
133.07603	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	121.1015
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02380	1.1
53.03953	7.6
55.01875	0.7
55.05508	1.5
65.03938	3.5
67.05509	1.7
70.50746	0.4
70.82235	0.8
70.82574	0.5
77.03924	2.8
79.05494	41.9
80.05827	0.6
81.03413	1.0
81.07059	1.4
91.05482	17.8
92.05790	0.4
93.07047	23.7
94.06602	0.5
95.04977	8.5
103.05470	23.8
104.05788	0.5
105.04559	3.9
105.07032	100.0
106.07850	7.9
119.08583	13.7
120.05729	1.1
121.02895	3.2
121.03983	1.4
121.06522	6.4
121.10144	47.9
122.06037	1.0
122.10487	1.0
123.08068	8.4
127.75121	0.4
133.07611	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	121.1016
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02380	1.9
53.03716	1.2
53.03950	20.4
53.93851	1.0
55.01865	3.7
55.05507	3.3
56.96550	1.5
65.03946	9.9
67.05495	3.5
71.32610	1.9
73.91657	1.1
77.03933	4.6
78.04699	1.2
79.05499	51.6
81.03411	3.7
81.04504	1.0
81.07053	2.1
88.28986	0.9
91.05486	51.3
92.05779	1.3
93.03426	1.0
93.04530	1.0
93.07049	64.7
94.06563	2.2
94.07385	1.0
95.04970	17.7
99.00318	1.1
103.04804	2.2
103.05478	38.8
104.05799	4.1
105.04523	9.9
105.07038	100.0
106.07840	7.0
107.04958	5.1
107.07346	1.4
108.61310	1.1
111.04482	1.0
119.08594	11.8
120.05751	1.9
121.02878	9.8
121.03975	7.3
121.06523	42.9
121.08376	4.8
121.10149	57.2
122.06026	5.2
122.06934	1.5
122.09661	1.5
122.10456	1.4
123.08053	7.9
131.68799	1.1
133.07616	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	121.1015
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02381	1.7
53.03713	0.8
53.03952	10.6
55.01872	2.0
55.05511	2.0
65.03950	2.7
67.05502	2.4
70.65276	1.2
70.65649	1.3
76.18324	0.6
77.03941	2.4
79.05502	46.8
81.03453	1.1
81.07071	1.1
88.25166	0.8
91.05492	24.0
93.07052	29.3
95.04986	9.6
103.05476	27.7
104.05775	1.7
105.04548	5.7
105.07042	100.0
106.07882	6.3
107.04969	7.9
119.07809	1.3
119.08601	14.1
120.05714	0.9
121.02881	2.6
121.03985	1.5
121.06521	18.2
121.10155	51.5
122.06000	1.0
122.07295	1.5
122.09679	0.9
122.10480	1.1
123.08064	7.6
127.04994	0.6
133.07619	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	121.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.8
53.03721	1.1
53.03952	20.8
53.09120	0.9
55.01862	3.3
55.05517	10.3
65.03945	8.5
67.05505	7.3
71.30068	1.2
76.09050	0.8
77.03912	3.8
78.04711	3.0
79.05496	62.6
80.05828	1.0
81.03410	2.7
81.04536	1.3
81.07053	3.8
91.05485	59.4
92.05832	1.7
93.04513	1.7
93.07047	100.0
94.06548	1.5
94.07375	1.9
95.04977	19.1
103.05468	30.2
103.06158	1.5
104.04312	0.8
104.05817	1.4
105.04536	11.4
105.07035	73.2
106.04174	0.9
106.07867	5.7
119.07790	1.3
119.08584	12.1
121.02866	8.2
121.03981	3.2
121.06512	38.5
121.10146	44.6
122.06025	2.6
122.09655	1.2
123.08076	5.6
133.07610	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	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02375	1.9
53.03952	18.2
55.01873	1.8
55.05518	15.7
55.10727	0.6
65.03947	5.7
67.05511	13.4
70.01168	1.4
70.01546	2.3
77.03931	3.0
79.05501	64.4
80.05841	0.8
80.06266	1.3
81.03428	2.1
81.04555	1.1
81.07050	3.1
85.81532	0.8
91.05492	45.5
92.05837	1.0
93.04545	1.1
93.07053	100.0
94.06573	1.1
94.07372	0.9
94.09818	0.7
95.04981	16.3
96.95563	1.0
98.20853	1.4
98.84138	0.8
103.05481	21.6
104.05835	1.2
105.04538	6.5
105.07041	42.0
106.07874	4.2
110.06171	0.7
111.04467	0.9
119.08576	6.8
121.02903	4.5
121.03981	3.0
121.04796	0.7
121.06522	20.1
121.08411	1.2
121.10157	33.0
122.06050	1.7
122.06911	0.6
122.09665	0.9
123.08076	3.2
133.07660	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	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02369	1.8
53.03721	1.1
53.03952	20.8
53.09120	0.9
55.01862	3.3
55.05517	10.3
65.03945	8.5
67.05505	7.3
71.30068	1.2
76.09050	0.8
77.03912	3.8
78.04711	3.0
79.05496	62.6
80.05828	1.0
81.03410	2.7
81.04536	1.3
81.07053	3.8
91.05485	59.4
92.05832	1.7
93.04513	1.7
93.07047	100.0
94.06548	1.5
94.07375	1.9
95.04977	19.1
103.05468	30.2
103.06158	1.5
104.04312	0.8
104.05817	1.4
105.04536	11.4
105.07035	73.2
106.04174	0.9
106.07867	5.7
119.07790	1.3
119.08584	12.1
121.02866	8.2
121.03981	3.2
121.06512	38.5
121.10146	44.6
122.06025	2.6
122.09655	1.2
123.08076	5.6
133.07610	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	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01591	1.0
51.02371	1.8
52.03158	0.5
53.03951	14.8
55.01866	1.8
55.05524	2.0
65.03948	6.2
67.05511	2.1
77.03938	3.1
78.04713	13.7
79.01859	0.4
79.05497	13.2
80.05043	0.5
81.03431	2.0
81.07044	0.8
91.05488	35.7
92.05794	0.5
93.03417	0.4
93.04517	0.6
93.07048	26.4
94.06586	1.1
94.07368	0.8
95.04977	12.9
97.02901	0.5
98.20787	1.4
103.05476	13.9
103.06158	0.8
104.05798	1.1
105.03427	0.4
105.04527	7.5
105.07032	14.3
106.04189	4.2
106.07836	0.8
107.04937	0.5
111.04458	0.8
119.08563	2.4
121.02902	3.7
121.04152	2.2
121.06511	100.0
121.10140	9.0
122.06028	1.1
122.06895	1.4
123.08051	0.8
133.07610	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0652
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.82088	0.5
51.02387	2.9
53.03951	22.9
53.04208	1.1
53.54121	0.5
55.01888	3.0
56.96570	1.7
63.00785	0.4
63.46423	0.5
65.03946	4.0
67.05508	0.9
70.32290	2.1
72.26125	0.5
77.03934	6.6
79.05485	1.7
79.95875	0.5
80.39040	0.6
81.03415	1.3
87.45978	0.5
91.05487	58.5
91.35291	0.5
92.05830	1.9
93.07050	48.3
94.06593	0.9
94.07375	1.9
95.04973	23.0
96.05321	0.6
102.04704	2.0
103.05474	100.0
104.05802	13.6
105.04518	14.1
105.07033	2.0
111.04408	0.6
120.46599	0.5
120.56550	0.5
121.02885	2.9
121.04050	1.5
121.06513	71.8
121.08429	14.4
121.10161	1.2
122.06059	1.3
122.06825	1.1
122.09564	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	0.6
51.14609	0.5
53.03954	3.2
54.04302	0.5
59.06952	0.5
59.16319	0.5
60.07712	0.7
61.62741	0.5
63.16406	0.5
65.03952	4.2
67.05492	0.6
70.57283	1.0
70.57618	0.8
73.43725	0.4
77.03928	1.0
78.04711	1.9
79.05503	7.2
79.05927	0.9
91.05490	100.0
92.05815	1.2
93.07062	6.8
95.04989	3.0
96.05372	0.5
102.04687	0.7
103.05481	15.2
104.06258	13.3
105.04528	1.3
106.04931	0.5
109.06528	1.2
109.13129	0.4
115.05464	8.1
117.07028	39.4
118.07278	0.5
119.06080	1.3
119.08587	80.7
120.08915	1.2
131.06070	1.0
133.16650	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02391	0.7
52.74734	0.7
53.03963	4.5
59.06956	1.0
59.07378	0.9
65.03954	3.4
69.24609	3.6
69.25034	3.0
77.03948	1.5
78.04733	2.3
79.05503	9.0
81.64062	0.8
91.05493	100.0
92.05831	1.4
93.07041	6.9
95.04987	3.2
103.05474	14.5
104.06266	13.4
105.04513	1.3
106.04871	0.8
109.06528	1.1
115.05478	6.4
117.07035	39.0
119.06154	1.5
119.06857	2.5
119.08588	87.2
120.08938	1.8
121.06555	0.7
131.06042	1.3
134.13705	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03951	3.3
54.04286	0.6
55.85900	0.6
59.06956	0.7
60.07755	0.6
65.03936	4.7
67.05520	1.0
70.80812	1.4
77.03951	1.1
77.36001	0.6
78.04723	0.8
79.05508	7.8
85.56586	0.6
91.05495	100.0
92.05855	0.9
93.07072	6.0
95.04982	2.3
96.05327	1.4
102.04710	0.8
103.05485	12.6
103.92030	0.6
104.06266	12.9
105.04524	1.5
106.04898	0.9
109.06537	1.5
109.92324	0.7
115.05470	6.5
117.07035	31.8
119.04936	1.5
119.06840	1.9
119.08591	87.6
119.18496	0.6
120.08936	1.3
132.26152	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03942	4.1
59.75995	0.7
65.03930	3.4
68.79711	0.7
71.14877	1.7
77.03939	1.3
78.04709	2.0
79.05490	6.7
91.05485	100.0
92.05824	0.8
93.07055	7.9
95.04980	3.1
102.04630	0.9
103.05470	14.7
104.05625	1.2
104.06255	14.6
105.04543	1.7
113.76007	0.7
115.05460	7.2
117.07021	43.5
119.08575	84.7
120.08913	1.5
122.50400	0.7
131.06052	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03955	4.7
54.04277	1.0
55.01860	0.7
65.03946	3.5
65.18495	0.5
65.38255	0.5
67.05522	0.6
77.03913	1.2
78.04736	1.8
79.05498	6.9
91.05491	100.0
92.05842	1.2
93.07044	6.5
95.04999	2.8
96.05332	0.8
102.04697	0.7
103.05475	15.8
104.05631	0.9
104.06269	13.5
105.04524	1.9
109.06525	1.2
115.05471	8.3
117.07032	41.9
118.07301	0.7
119.06850	1.9
119.08593	84.3
120.08942	1.3
126.67062	0.6
130.45438	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.6
53.03944	2.7
54.04273	1.0
56.05032	0.6
58.06609	2.7
59.06745	0.4
59.06947	4.2
59.07389	2.9
60.07718	5.2
63.75183	0.4
65.03941	4.7
67.05505	0.6
68.16986	0.5
70.71499	1.5
73.08475	0.8
77.03950	0.7
78.04706	1.4
79.05501	5.7
84.89511	0.5
91.05486	100.0
92.05006	0.7
92.05812	2.6
92.06303	4.5
93.05795	1.1
93.07047	4.0
95.04972	2.0
96.04462	0.7
96.05314	1.0
101.66329	0.5
102.04674	0.7
103.05474	10.7
104.05005	11.1
104.06242	9.2
105.04522	1.1
109.06520	0.8
115.05476	4.8
117.05759	0.8
117.07026	22.2
118.06549	93.2
119.04975	1.5
119.06035	2.4
119.07320	40.3
119.08612	47.5
120.04478	0.7
120.05621	0.7
120.08092	2.2
120.08904	0.9
121.06543	0.6
131.06076	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67461	2.9
54.29073	3.3
55.63669	2.9
57.95655	2.8
67.05496	10.5
69.03438	4.5
70.47077	6.9
70.47400	4.4
78.52977	4.3
79.38718	3.1
80.74234	3.2
82.01440	16.4
82.99841	9.9
85.01412	4.3
91.05460	8.7
93.07015	4.0
93.53491	5.8
98.52730	3.1
100.02495	24.0
101.00884	58.2
103.02444	10.0
107.05254	7.1
107.68259	3.5
112.81999	2.9
115.83111	3.0
116.05762	3.3
119.01929	100.0
127.19385	3.2
129.03972	5.1
133.03456	3.5
137.02980	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	118.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81487	0.4
55.05520	0.4
58.06608	39.3
59.07391	37.5
71.35400	0.6
72.08176	1.5
87.04445	0.6
100.83387	0.4
118.08671	100.0
119.09003	1.0
139.55238	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0866
Annotation	Betaine
Peak:m/z	Relative Intensity
50.51789	0.2
52.62486	0.3
53.70520	0.3
58.06605	38.3
59.07387	35.0
59.07695	0.6
64.23540	0.3
69.62800	1.4
69.63200	0.5
83.47202	0.3
87.04466	0.6
117.47974	0.3
118.08665	100.0
119.09012	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0757
Annotation	2-Hydroxycyclohexan-1-one
Peak:m/z	Relative Intensity
50.56518	0.2
55.01877	33.5
55.05511	1.4
55.45726	0.2
59.05006	2.1
68.02662	0.4
69.03446	0.6
69.05367	0.3
69.07078	2.3
70.06597	32.3
71.32507	0.4
72.93795	0.4
73.02922	100.0
73.06557	0.6
73.93829	0.4
74.03253	0.4
74.93833	1.3
78.62850	0.2
86.03697	0.5
87.04482	1.8
92.94872	0.3
97.06553	1.5
98.06068	0.2
115.03948	2.2
115.05404	1.5
115.07580	2.5
115.09474	0.2
116.07104	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	112.0874
Annotation	histamine
Peak:m/z	Relative Intensity
55.05505	0.3
56.05035	0.2
58.06592	0.2
59.73014	0.1
67.04229	0.3
68.05034	8.9
69.04557	0.2
70.06593	0.5
70.90681	0.2
70.91065	0.2
71.94109	0.3
82.01445	0.3
82.05321	0.4
82.06573	0.2
83.06110	9.0
83.80791	0.1
84.08150	2.5
88.02362	0.2
94.04062	0.2
94.05320	0.1
95.02462	1.0
95.06097	100.0
96.05842	0.2
96.06412	1.0
100.02502	0.2
112.05101	3.5
112.08736	10.7
112.11249	3.2
113.03487	0.1
124.07982	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	1125.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07057	0.2
89.69981	0.1
167.90558	0.2
313.27396	0.2
352.92743	0.2
396.12094	0.5
397.13046	0.9
398.13748	0.5
399.14798	0.2
409.13129	0.4
410.13602	1.4
411.14505	3.3
412.15363	2.1
413.16061	1.6
414.16763	0.2
422.13278	0.2
423.15176	1.0
424.10715	0.5
424.15988	2.2
425.16266	7.0
426.16901	5.5
427.17584	1.5
428.18716	0.9
430.17108	0.2
437.12381	0.9
437.16687	0.6
438.13107	2.2
438.17480	1.0
439.13446	8.7
439.19019	0.3
440.19012	3.8
441.19296	20.9
442.19739	2.1
443.18881	0.1
444.17923	0.2
451.12924	0.7
451.18713	0.3
452.14182	3.3
453.15237	10.8
454.16010	3.5
455.13089	0.2
455.21170	0.3
457.14377	0.3
458.15753	0.3
459.20361	0.2
463.13699	0.7
465.15451	0.6
466.17169	0.9
467.17215	18.0
468.17792	10.3
469.18842	8.5
470.19635	1.1
471.16687	0.5
472.17526	0.3
477.15366	0.4
478.15732	0.5
479.17020	0.6
480.13873	1.2
481.14807	10.9
482.15009	3.0
483.16281	0.6
484.13159	0.2
484.17731	0.2
485.13043	0.3
485.18890	0.5
486.18835	0.2
493.15179	0.2
494.16159	0.6
495.11078	0.2
495.16516	14.8
496.16992	23.3
497.17615	3.7
498.18002	0.6
499.14645	0.2
499.20877	0.8
500.16159	0.2
508.18237	0.6
509.18155	2.0
510.18604	0.5
511.20132	0.2
512.20276	0.6
513.17303	0.3
514.22919	1.6
522.17896	0.5
523.19818	1.1
524.17181	0.2
525.17627	0.2
526.18506	0.3
527.23810	2.1
528.19672	0.9
528.24695	0.2
536.19189	0.8
537.18970	1.1
538.18774	0.4
540.19836	0.5
541.20801	0.3
542.21735	1.1
545.23846	0.3
551.19501	0.2
554.20917	0.2
555.22437	19.1
556.22803	1.3
557.21930	0.2
567.18884	0.3
568.18951	1.0
569.20013	0.2
582.21161	0.3
583.21899	57.7
584.22186	7.2
585.22198	0.5
586.20459	0.7
587.25012	1.3
599.21265	0.3
600.21558	0.5
610.20587	0.5
611.21118	2.1
612.21930	0.2
614.23523	0.7
615.24542	5.1
616.24493	0.2
628.20978	0.3
642.23230	16.1
643.23840	100.0
644.23962	7.9
645.25146	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	0.8
53.03948	1.4
53.76081	0.5
54.72490	0.5
55.01865	0.7
55.05517	33.6
56.05045	2.2
57.07072	2.0
58.06611	1.5
61.62510	0.5
63.30236	0.4
64.96683	0.5
67.05499	3.0
67.62286	0.5
68.05043	2.5
68.99799	0.6
69.03435	1.0
69.04561	1.4
69.07074	100.0
69.84395	2.5
70.04883	0.7
70.06599	16.6
71.06116	1.0
71.07380	0.5
80.89355	0.5
82.05324	3.5
82.06601	0.6
83.04994	1.8
83.06118	6.2
83.08628	0.9
84.08145	1.7
85.07681	0.7
88.00494	4.4
93.03419	0.6
93.04527	0.6
93.07020	0.8
94.02876	0.5
94.06585	2.1
95.06094	1.0
96.05605	1.1
96.06895	1.4
97.01002	2.2
99.51248	0.7
110.07185	3.9
111.04455	3.2
111.05601	8.2
111.06383	1.7
111.06778	0.8
111.07509	2.8
111.08039	2.5
111.09214	33.1
112.03979	1.3
112.05096	0.8
112.07609	0.7
112.07890	0.5
112.08740	7.2
113.31572	0.6
115.96443	1.8
119.52978	0.5
125.93076	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.6
55.01880	3.4
55.05514	51.0
56.05030	0.6
56.05842	0.6
57.93560	0.9
58.84267	0.5
65.03942	6.4
67.05505	1.4
68.05020	2.3
69.03426	2.4
69.07068	9.5
69.42622	3.8
70.06579	1.3
70.94258	0.9
78.99963	1.3
82.05328	2.7
83.04986	32.9
83.06081	4.7
85.02912	0.9
87.99969	1.1
88.00488	19.2
89.00247	0.9
91.05482	1.9
93.03389	1.1
93.07055	1.8
95.06096	20.9
97.01004	8.5
98.00760	0.9
99.51260	3.0
106.01526	0.7
111.04448	100.0
111.05524	4.8
111.06422	1.9
111.08073	6.3
111.09223	1.6
112.04002	0.9
112.04759	1.1
112.07600	1.7
112.08723	2.2
115.96434	7.1
116.97241	2.9
117.96009	0.7
120.39620	0.5
124.61493	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0444
Annotation	Hydroquinone
Peak:m/z	Relative Intensity
53.03967	3.5
55.01870	3.0
55.05517	51.8
55.49301	0.6
58.68350	0.5
65.03937	5.2
69.03427	1.1
69.07076	1.2
71.24065	0.8
71.67583	0.5
82.05325	1.0
83.04989	34.2
83.06073	1.0
85.02905	1.1
88.00500	2.0
93.03421	1.8
93.07040	1.0
95.06107	2.6
95.61298	0.5
111.04453	100.0
111.08107	2.0
112.03974	0.6
112.04763	0.9
115.96477	0.7
119.77946	0.7
124.40325	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.6
55.01880	3.4
55.05514	51.0
56.05030	0.6
56.05842	0.6
57.93560	0.9
58.84267	0.5
65.03942	6.4
67.05505	1.4
68.05020	2.3
69.03426	2.4
69.07068	9.5
69.42622	3.8
70.06579	1.3
70.94258	0.9
78.99963	1.3
82.05328	2.7
83.04986	32.9
83.06081	4.7
85.02912	0.9
87.99969	1.1
88.00488	19.2
89.00247	0.9
91.05482	1.9
93.03389	1.1
93.07055	1.8
95.06096	20.9
97.01004	8.5
98.00760	0.9
99.51260	3.0
106.01526	0.7
111.04448	100.0
111.05524	4.8
111.06422	1.9
111.08073	6.3
111.09223	1.6
112.04002	0.9
112.04759	1.1
112.07600	1.7
112.08723	2.2
115.96434	7.1
116.97241	2.9
117.96009	0.7
120.39620	0.5
124.61493	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.0717
Annotation	Brunfelsamidine
Peak:m/z	Relative Intensity
55.01860	1.8
55.05507	2.9
56.05034	1.3
65.03928	3.2
66.03458	1.5
66.04250	1.0
67.02977	1.5
67.04240	3.8
67.05500	3.3
68.04688	1.2
68.05033	17.7
68.05844	4.6
69.04559	23.5
69.05368	1.1
69.93891	4.0
70.06583	4.4
72.78064	0.9
80.05037	2.3
80.94006	1.0
81.07053	1.0
82.06202	0.9
82.06588	11.0
82.07365	2.3
83.04993	2.1
83.06113	8.5
91.05470	1.0
92.05024	2.1
93.04530	5.4
95.03700	1.4
96.45622	0.9
110.06035	64.1
110.07159	100.0
110.09677	5.0
110.10437	2.3
111.04433	2.1
111.05597	2.3
111.09240	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	1098.6942
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03924	2.0
79.05495	34.0
81.03423	4.9
81.07059	100.0
83.04969	2.3
83.08620	9.1
85.02905	52.2
87.04467	1.5
91.03952	1.7
91.05480	41.3
92.21481	0.8
93.07048	71.2
94.07382	1.1
95.04977	6.6
95.08609	94.1
97.02897	14.8
97.06540	1.8
97.10168	6.1
99.04465	1.7
103.05466	3.6
104.06239	1.5
105.04539	2.3
105.07035	76.8
107.08599	86.8
109.02876	4.1
109.06526	3.3
109.10160	73.1
110.10506	1.1
111.04470	0.8
111.11727	3.7
115.03941	1.1
115.05415	1.0
116.06254	1.1
117.07052	8.0
119.08584	76.5
121.10147	73.9
123.08057	2.4
123.11710	28.1
125.09638	2.4
127.03928	14.6
128.06181	1.1
129.07019	3.5
130.07803	2.1
131.08568	19.8
133.10136	42.4
135.11696	40.2
137.13258	6.2
139.07567	0.8
139.11212	1.3
140.00311	1.0
141.07030	0.9
142.07796	2.5
143.08571	5.0
144.09332	2.3
145.04968	25.2
145.10126	31.1
147.11696	38.9
149.13260	45.5
151.14885	2.1
155.08563	1.4
157.10138	5.8
158.10895	2.0
159.11699	42.1
160.12383	0.8
161.13269	44.8
163.06035	11.6
163.14828	35.9
165.12827	1.1
165.16486	1.7
169.10191	2.3
171.11673	5.3
173.13264	20.6
175.13303	1.7
175.14825	29.5
176.15196	1.3
177.16400	20.0
177.17860	1.6
179.14305	1.1
183.11731	1.7
185.13231	4.6
187.14833	13.9
189.16397	19.2
191.17989	6.8
197.13318	1.7
199.14812	4.7
201.16386	25.2
201.18253	1.2
203.17970	15.9
213.16411	5.1
215.17967	41.9
217.19521	3.6
219.17525	1.3
220.34966	0.9
225.16434	1.5
227.17998	3.2
229.19543	8.0
231.21062	9.9
233.19054	1.2
237.16400	1.2
241.19513	1.6
243.21021	6.2
245.22815	2.0
253.19534	0.9
255.21144	2.6
257.22742	1.8
259.24249	0.9
259.87460	0.9
267.21259	1.9
269.22678	3.0
271.24213	90.0
272.24579	1.8
281.22760	1.9
283.24207	2.7
289.09048	1.0
289.25266	12.1
294.52802	0.9
312.80368	0.9
325.11261	4.4
351.21597	0.9
397.27304	1.6
405.35071	1.1
415.28116	1.4
433.29578	3.4
541.47772	4.2
559.48578	3.2
660.75745	1.0
999.68982	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.55181	0.5
53.03949	2.7
55.05515	10.8
60.14201	0.5
63.60092	0.6
65.03946	4.4
67.05508	100.0
68.05854	0.9
69.07066	5.6
71.09213	1.0
77.19897	0.5
79.05501	10.6
80.06289	1.5
81.03416	3.2
81.07061	32.7
91.05493	0.8
94.07830	2.1
95.96421	0.6
107.08562	2.9
109.02907	1.0
109.06538	1.9
109.07652	0.7
109.10161	36.4
110.06017	1.0
110.10532	0.6
111.42323	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.64642	0.5
53.03947	2.3
55.05514	13.2
59.68248	0.6
65.03947	5.0
67.05508	100.0
69.07066	6.2
70.07800	2.5
79.05495	12.6
79.05921	1.1
80.06301	1.8
81.03426	1.7
81.07059	34.5
81.17638	0.7
90.10325	0.6
91.05475	2.0
94.07831	1.6
98.55225	0.7
107.08600	3.5
109.02853	0.6
109.06525	4.0
109.10161	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32110	0.3
53.03950	4.7
55.01869	0.4
55.05516	10.4
65.03947	4.9
67.05510	100.0
68.05840	1.3
69.07073	6.0
69.89848	1.2
69.90250	0.6
77.03977	0.3
79.05502	9.5
80.06268	1.4
81.03424	6.6
81.07063	29.8
91.05486	1.2
94.04229	0.3
94.07829	1.6
101.64842	0.3
105.07021	0.6
107.08609	3.6
109.02901	2.5
109.06527	2.7
109.07671	0.8
109.10167	33.9
109.68554	0.3
110.06047	1.2
110.10522	0.4
120.87639	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
52.32929	0.4
53.03959	2.6
55.01871	2.0
55.05516	10.5
55.05762	0.9
65.03951	3.6
67.05509	100.0
68.05843	1.0
69.07074	5.9
70.85002	1.4
75.56362	0.5
79.05497	7.9
80.06279	1.9
81.03425	4.9
81.07062	31.2
91.05491	0.6
94.07845	1.5
98.38634	0.5
103.96744	0.4
105.07040	0.7
107.08602	4.5
108.45695	0.5
109.02916	2.6
109.06525	1.8
109.10166	40.8
115.29298	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.2
55.05516	9.9
59.16727	0.4
60.69321	0.3
65.03949	5.4
66.65399	0.4
67.05510	100.0
68.05852	0.9
69.07071	6.3
70.01992	1.8
79.05498	9.8
80.06293	1.2
81.03426	2.9
81.07064	27.1
91.05492	1.3
94.07835	1.6
98.21515	0.4
102.68459	0.4
107.08601	2.9
109.02881	0.9
109.06532	1.2
109.10166	35.6
110.06067	0.9
110.10483	0.4
120.38142	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	0.7
53.03944	6.1
53.77019	0.5
55.01870	1.5
55.05516	12.2
63.56250	0.5
65.03948	4.8
67.05509	100.0
68.05846	0.9
69.07069	7.0
71.23488	1.0
79.05497	10.2
80.06282	1.5
81.03426	10.5
81.07062	34.5
91.05462	1.9
94.07815	1.1
107.08582	3.8
109.02894	5.6
109.06530	5.0
109.07663	0.9
109.10164	41.9
110.05973	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1017
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02379	0.7
53.03955	10.2
55.01879	1.7
55.05516	11.2
55.46441	0.5
65.03952	6.6
66.04728	0.9
67.05511	100.0
68.05856	0.6
69.07076	6.7
70.70911	1.0
70.71266	0.6
76.68695	0.5
79.05502	27.6
79.54337	0.5
80.06278	1.7
81.03429	11.1
81.07066	43.8
82.06588	1.0
82.07376	0.5
91.05486	5.3
94.04207	3.0
94.07847	1.4
105.07038	0.5
107.04967	0.9
107.08602	3.0
109.02886	3.2
109.04023	0.6
109.06529	31.1
109.07703	2.1
109.10168	42.8
110.06059	3.7
110.10485	0.6
124.87784	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	o-Cresol
Peak:m/z	Relative Intensity
53.03953	8.2
55.01882	7.1
55.05511	5.6
63.73129	0.5
65.03943	6.0
66.04723	1.3
67.05508	52.4
69.07084	2.5
71.30496	0.6
74.78462	0.5
79.05496	47.2
80.06290	0.9
81.03426	6.0
81.07058	51.0
91.05486	14.5
94.04197	4.7
94.07834	0.6
95.04949	0.8
98.20889	0.4
105.04489	0.6
107.04978	0.9
107.08616	2.2
109.02892	1.9
109.06522	100.0
109.10159	21.7
110.06056	2.0
110.06810	1.1
117.64323	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1088.6376
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05494	71.3
81.03411	5.8
81.07058	88.6
83.05006	3.6
83.08611	7.8
85.02907	100.0
86.13004	2.4
87.76789	3.0
91.03416	4.5
91.03960	63.3
91.05479	54.0
93.07043	82.3
95.04993	5.7
95.08608	61.0
97.02895	58.5
97.06538	3.7
97.10194	4.5
99.04453	7.7
99.08138	4.6
103.05481	2.9
105.07024	38.3
107.08596	37.5
109.02890	5.4
109.10152	28.7
115.03880	6.2
117.07020	17.6
117.65044	2.3
119.08581	29.0
120.98597	2.3
121.10143	40.3
123.11720	14.5
127.03909	39.1
128.06204	3.4
129.06992	8.0
131.08560	30.7
133.10133	35.1
135.08025	3.1
135.11697	32.8
137.13234	4.7
143.08617	5.0
145.04958	54.5
145.06030	4.6
145.10146	21.6
147.11694	25.9
149.09602	4.3
149.13223	16.9
155.77440	2.5
157.10136	6.7
159.11703	13.9
161.13240	11.1
163.06023	94.2
163.07419	4.9
163.14812	5.1
171.11711	8.7
173.13271	11.3
175.14763	5.3
177.16319	5.3
185.13246	3.7
187.14810	6.1
189.16397	5.0
199.14911	3.5
203.18088	4.2
213.16360	7.7
215.17909	23.6
217.19493	3.5
225.16493	3.4
231.17439	9.4
233.19069	17.0
241.19527	5.1
243.21095	6.0
254.23782	3.2
259.20526	7.2
261.22131	15.2
279.95276	2.8
305.21039	6.8
307.22687	77.1
309.24194	11.9
317.24667	4.5
325.11475	3.6
333.24255	10.8
335.25812	87.4
337.27316	12.1
354.09976	2.7
493.40448	8.3
511.41656	3.0
567.44073	30.1
585.45258	51.5
586.44940	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	1084.8396
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05024	4.4
79.05498	73.6
81.07065	91.9
83.08629	24.2
85.06544	7.0
85.10185	4.6
91.05494	62.2
93.07047	100.0
95.04986	10.0
95.08615	75.9
97.06532	11.8
97.10166	17.5
99.08102	7.0
100.07632	5.4
105.07031	43.2
107.08604	58.1
109.10155	36.6
111.08095	5.9
111.11713	4.2
114.09129	3.9
117.07024	16.2
119.08574	34.6
121.10158	46.6
123.11724	14.4
125.09646	5.9
129.07027	6.2
130.07797	4.1
131.08598	26.2
133.10127	38.4
133.12309	3.9
135.11705	34.7
139.11176	4.4
143.08562	6.2
145.10112	28.0
147.11694	24.5
149.13261	16.6
151.11084	4.4
153.89066	3.3
155.08464	4.3
157.10150	7.5
159.11679	17.4
161.13239	8.1
163.14821	6.5
171.11685	10.4
173.13272	12.2
175.14781	6.3
181.20717	3.2
185.13254	4.6
187.14813	7.7
189.16405	3.6
197.13297	3.6
199.14838	5.3
203.17955	3.8
205.19440	5.0
207.32512	3.4
213.16394	7.7
215.17932	20.1
230.16624	3.7
231.17447	8.5
233.19043	16.3
243.21291	4.5
259.20673	7.1
261.22092	8.9
286.32477	3.4
303.30444	3.7
307.22656	55.2
307.25958	4.6
309.24219	11.8
321.31729	7.0
333.24252	5.1
335.25827	57.9
337.27454	5.4
338.34189	55.7
493.40381	3.9
567.43732	16.7
585.45142	32.5
666.34149	4.0
753.09644	3.3
1118.08569	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	1073.6056
Annotation	Unknow
Peak:m/z	Relative Intensity
76.65706	1.5
79.05502	40.4
81.02991	2.5
81.03429	30.7
81.07061	100.0
83.01337	2.3
83.05009	4.4
83.08630	10.9
84.08111	2.0
85.02912	36.3
87.00822	18.2
87.04443	1.9
91.05486	46.2
93.07049	77.5
93.07640	4.1
95.04961	8.5
95.08614	93.8
97.02900	56.8
97.10176	7.9
99.04480	11.8
103.05472	3.2
105.01855	10.5
105.04517	4.4
105.07038	68.2
107.08603	92.2
109.02885	13.2
109.10164	77.4
109.10922	2.9
111.00756	1.9
111.11740	5.7
115.03957	2.1
115.05456	2.6
117.07024	9.5
119.08590	60.1
121.10150	55.6
121.11023	1.8
123.08045	3.0
123.11716	31.3
127.03931	39.7
128.06233	3.8
129.07005	7.7
130.07785	2.3
131.08559	20.0
133.09143	2.5
133.10135	47.3
133.11107	3.5
135.11710	42.4
137.13275	9.8
138.70161	1.7
141.07069	1.8
142.07770	3.7
143.08572	16.3
144.09351	2.9
145.04951	16.3
145.10147	36.8
147.11705	37.9
148.05209	1.8
149.13283	35.9
151.14865	1.7
155.08571	4.6
156.09311	3.7
157.10120	21.0
159.02907	3.6
159.11711	40.4
161.13275	32.5
163.14848	20.3
169.10164	9.6
170.10942	2.0
171.11702	19.0
173.13271	27.3
175.14842	25.5
177.16425	13.5
181.13718	1.8
183.11664	7.7
185.13277	14.6
186.14015	1.8
187.14847	21.1
189.16367	17.3
191.17943	5.2
195.11707	3.4
195.51915	2.0
197.13211	9.3
199.14809	16.8
201.16406	19.2
203.17976	14.5
205.19539	2.8
209.13327	3.5
210.13976	1.9
211.14833	10.9
213.03983	2.0
213.16374	18.1
215.17935	19.8
217.19569	8.8
223.14844	3.1
225.16402	6.7
227.18005	10.7
229.19502	7.3
231.05022	17.0
231.21104	3.5
237.16368	2.8
239.17987	6.8
241.19537	7.5
243.21109	6.9
245.22743	4.5
249.06296	3.5
251.18054	4.0
253.19592	6.6
255.21126	7.2
257.22675	6.4
259.24203	2.1
265.19547	2.3
267.21182	5.4
269.22696	14.4
271.24246	8.4
279.21033	3.3
281.22693	8.0
283.24313	9.4
285.25647	2.3
287.23672	2.2
289.25266	2.0
295.24182	4.9
297.25793	5.9
299.27222	2.0
307.24500	2.3
309.25879	3.5
311.27377	2.5
312.06094	2.0
321.25693	2.0
323.27411	5.0
325.28995	6.1
335.27191	2.0
337.28891	3.5
339.30338	2.3
351.30472	5.0
355.15723	1.8
363.30557	2.5
365.31982	3.6
369.31409	2.3
391.33490	2.9
393.35074	6.1
405.35168	2.6
419.36691	5.1
431.36996	3.2
433.38647	1.8
445.38571	2.0
459.39883	3.4
473.41275	2.4
491.42731	2.7
541.40149	3.1
541.47754	41.8
542.47668	2.3
559.48779	34.0
560.49084	2.0
577.49854	3.2
623.31128	3.6
749.88733	2.0
789.52252	2.1
807.54272	20.1
825.54797	2.5
860.15021	2.5
893.54474	5.6
1073.59680	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	1070.6634
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03933	2.2
78.04733	0.7
79.05497	48.3
81.03423	18.8
81.07061	100.0
82.07408	0.9
83.04988	3.5
83.08617	8.3
85.02911	54.1
85.06579	1.0
86.09703	0.8
87.04478	2.0
91.03963	15.5
91.04572	1.2
91.05486	55.7
93.07050	80.2
95.04978	11.8
95.08613	81.6
97.02894	23.2
97.06531	2.9
97.10170	5.4
98.21410	1.2
99.04453	4.3
103.03950	1.6
103.05466	4.5
104.06313	0.7
105.04550	3.2
105.07037	73.8
107.04961	2.4
107.08601	81.1
108.08930	0.7
109.02884	7.2
109.06534	4.0
109.10163	56.7
111.04443	3.3
111.08091	2.0
111.11728	2.1
115.03938	2.0
115.05478	2.9
116.06283	1.7
117.05506	0.9
117.07022	15.7
119.08590	69.9
121.06527	3.4
121.10152	59.5
122.10475	0.7
123.04430	2.2
123.08054	3.0
123.11706	21.8
124.99976	1.1
125.05933	0.8
125.09643	1.0
127.03928	18.0
128.06233	2.6
129.05551	0.9
129.07010	8.4
130.07799	2.1
131.04877	0.9
131.08578	27.7
133.06506	2.6
133.10141	34.3
135.08110	1.9
135.11700	29.4
137.05977	1.3
137.09561	1.6
137.13255	3.4
139.07581	0.6
139.11224	1.0
141.07018	2.9
142.07797	1.4
143.08597	8.4
144.09351	2.4
145.04965	25.7
145.10133	28.8
147.08063	2.3
147.11697	32.8
149.09695	1.9
149.13261	29.7
151.11174	1.0
151.14839	1.1
153.06995	1.1
153.09113	0.8
155.08557	3.3
156.09412	0.8
157.06529	1.1
157.10158	7.2
158.10912	0.9
159.08138	1.7
159.11703	37.2
160.12411	0.7
161.09616	2.0
161.13264	32.5
163.06026	27.1
163.11195	1.3
163.14835	24.4
165.09207	0.9
165.12759	1.3
167.08588	2.1
168.09370	0.7
169.08893	0.6
169.10135	3.8
171.08112	0.8
171.11690	6.0
173.09630	1.4
173.13271	18.9
173.14706	1.2
175.11253	1.8
175.14836	20.4
177.09184	1.2
177.12788	1.0
177.16391	14.0
178.44215	0.6
179.08562	0.9
181.10185	1.7
183.08014	0.9
183.11700	4.2
184.07344	4.0
185.09669	2.2
185.13321	4.7
187.11273	1.9
187.13191	0.9
187.14828	11.2
189.12782	0.9
189.16385	11.6
191.17973	3.5
193.12186	0.9
195.11771	1.9
197.09546	0.7
197.13312	2.4
199.11186	1.9
199.14772	4.4
201.13206	0.7
201.16406	15.9
202.17282	0.7
203.17982	8.5
205.12204	0.9
207.11845	0.8
207.13760	0.8
209.13426	1.5
211.11287	0.9
211.14864	2.1
213.12880	0.8
213.16403	3.2
215.14528	1.3
215.17972	27.3
217.12224	1.0
217.16000	1.0
217.19655	1.3
219.17595	0.7
221.15390	0.7
223.14952	1.2
223.17000	0.7
225.12894	1.0
225.16489	1.3
227.14406	1.4
229.15910	0.9
229.19446	4.3
231.13783	0.9
231.17545	0.7
231.21103	1.2
241.19598	1.5
243.21169	4.0
245.22743	0.8
248.82513	0.7
255.21091	0.8
257.15347	0.7
257.22809	1.2
259.20654	3.5
261.22186	4.8
267.21133	1.2
269.22720	2.2
271.08020	1.0
271.24222	52.0
272.24548	0.9
273.22232	2.0
275.20157	0.8
277.21756	2.4
279.23282	1.0
283.20416	0.7
283.24280	1.1
285.22256	1.3
289.21649	2.2
289.25375	1.9
291.23270	1.2
297.22327	0.8
299.20184	1.0
299.23679	1.0
301.21722	2.8
303.23190	5.0
315.19864	0.8
315.23199	3.1
317.17462	0.9
319.22714	1.4
323.23782	1.4
325.11423	2.9
327.23245	1.5
329.21497	0.7
331.22684	0.9
341.24710	3.0
345.24295	1.8
351.23260	2.6
357.24249	1.4
359.25928	1.5
366.89056	0.9
369.24341	11.7
379.26498	0.9
387.25336	12.7
405.26416	10.5
406.26666	0.7
423.27533	2.7
531.29895	1.1
675.49591	0.9
693.51025	1.0
711.52209	1.0
840.38879	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1070.6635
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03902	2.3
79.05493	45.0
81.03419	19.9
81.07058	100.0
83.04966	4.1
83.08620	9.2
85.02906	94.5
86.09685	1.6
87.04477	3.3
90.77518	1.3
91.03957	10.4
91.04423	1.2
91.05479	52.7
93.07044	80.7
95.04974	10.6
95.08608	85.1
97.02303	2.4
97.02895	38.9
97.06505	1.9
97.10160	6.7
99.04436	5.6
103.03964	1.6
103.05457	3.1
105.04523	2.6
105.07030	69.4
107.08595	81.0
109.02894	9.3
109.06492	4.4
109.10159	63.9
111.04430	2.9
111.11711	3.0
111.34342	1.5
115.03957	3.0
115.05441	3.5
117.07006	15.5
119.08583	77.9
121.06515	1.9
121.10143	58.8
123.04359	1.4
123.08090	2.7
123.11710	22.3
125.00034	1.5
125.05971	1.8
125.09581	1.8
127.03923	25.7
128.06213	1.6
129.07014	6.2
130.07707	2.5
131.08574	27.8
133.06473	1.3
133.10133	38.3
135.08041	2.5
135.11700	34.0
137.09636	1.7
137.13223	5.0
141.06985	2.0
142.07739	1.8
143.08568	9.0
144.09332	3.6
145.04968	33.6
145.06221	1.9
145.10135	34.6
145.11301	2.6
147.08037	2.2
147.11691	33.7
149.09669	2.2
149.13261	31.6
151.14766	1.6
151.32309	1.3
153.06958	1.4
155.08513	3.7
157.10124	7.1
159.11690	39.5
161.13258	36.7
163.06055	15.0
163.11168	2.5
163.14822	27.6
165.09055	1.6
165.12814	1.8
167.08591	2.6
169.10059	3.2
171.08029	2.0
171.11691	4.9
173.09726	1.5
173.13248	16.9
174.13455	1.3
175.11240	1.6
175.14828	21.3
177.16371	12.4
181.10110	2.3
183.11604	2.8
184.07376	6.7
185.13206	4.8
187.11133	1.6
187.14838	11.6
189.12740	2.6
189.16365	13.8
191.17944	2.7
195.11591	2.6
197.13229	2.7
199.14835	2.9
201.12779	1.5
201.16409	17.0
203.17937	9.9
213.12926	1.3
213.16476	3.1
215.14612	1.6
215.17949	31.8
217.19438	1.5
224.97536	1.5
225.16508	1.8
229.19542	4.7
231.21121	4.6
243.21114	3.2
259.20679	1.6
261.22067	3.3
269.22699	1.7
271.24210	56.9
277.13849	1.4
277.21539	2.4
289.21661	2.6
289.25159	4.8
291.23190	1.8
301.21600	2.0
303.23111	3.7
315.23193	2.0
319.22845	2.4
327.23010	2.7
341.24872	4.1
351.22995	4.7
369.24167	13.7
387.25311	18.6
397.26877	2.0
405.26413	15.0
423.27371	4.7
480.41043	1.4
1003.98553	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	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03960	2.5
53.04195	0.4
55.01864	0.7
55.05507	0.5
57.94112	0.3
63.02401	0.4
65.03945	16.8
67.05511	5.5
69.54181	0.3
77.03939	1.0
78.04650	0.3
79.05501	34.4
80.05827	0.4
80.28393	0.3
91.05489	100.0
92.05798	0.7
92.06285	3.8
95.04984	2.3
103.05475	0.9
105.04521	1.2
105.07041	27.4
106.04168	0.6
107.04971	2.3
107.08605	24.1
109.06525	7.1
119.06082	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	107.086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.4
53.03954	5.0
55.01870	1.2
55.05532	0.4
57.01675	0.4
62.99079	1.2
63.02387	0.4
65.03946	16.5
67.05505	4.8
69.24703	1.3
69.25124	2.2
77.03923	1.5
79.05500	36.6
79.27296	0.4
80.05016	0.8
80.05791	0.6
81.03428	0.6
91.05489	100.0
92.05813	0.7
92.06281	2.9
95.04972	5.0
103.05466	0.8
105.04522	2.4
105.07041	28.5
106.04218	0.6
107.04968	20.2
107.08604	27.3
109.06529	9.1
119.06081	7.8
124.05180	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01601	1.2
51.02389	3.0
53.03951	27.0
54.04278	0.4
55.01873	2.7
62.99073	1.0
65.03943	7.2
67.05517	2.5
69.59029	0.4
71.03505	0.8
72.61487	0.3
77.03932	7.9
79.01850	0.5
79.05497	84.1
80.05016	0.9
80.05817	0.7
81.03423	2.9
91.05486	51.4
92.05775	0.7
92.06274	2.0
95.04973	30.7
105.04524	16.5
105.05235	0.7
105.07038	15.4
105.96552	0.4
106.04222	0.5
107.04960	100.0
107.08597	14.7
108.05291	0.8
108.08122	0.5
109.06518	4.5
118.06585	0.6
119.06071	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	107.0494
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02377	2.2
51.13336	0.6
53.03712	1.1
53.03951	13.7
55.01866	3.1
62.99060	2.9
64.91288	0.6
65.03935	6.2
67.05504	1.5
69.15106	3.8
69.15541	3.5
77.03925	3.2
79.05499	27.7
80.05022	2.1
81.03426	1.7
91.05485	41.4
92.06270	1.3
95.04970	11.4
105.04529	6.1
105.06398	1.2
105.07042	13.4
107.04961	100.0
107.08599	11.1
108.04500	1.1
108.05291	0.8
108.08121	1.5
109.06517	2.8
110.44570	0.9
119.06072	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	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01602	0.3
51.02385	1.1
53.03949	7.5
55.01871	0.4
56.96568	0.9
62.99080	1.6
65.03948	0.5
70.91481	0.3
74.50024	0.5
77.03928	1.8
79.05497	100.0
80.05032	0.6
80.05836	1.0
81.03413	0.8
82.01466	0.8
83.01531	0.2
83.50538	0.4
91.05488	2.7
94.52442	0.3
95.04972	6.8
95.52332	0.2
100.02477	1.3
104.52854	0.2
105.04523	3.7
105.07021	1.0
107.04961	15.0
107.08606	1.1
108.04491	0.3
108.08118	0.4
109.06522	0.4
119.06057	0.3
124.01424	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.6578
Annotation	Unknow
Peak:m/z	Relative Intensity
73.67431	2.7
77.03914	3.4
79.05488	31.0
81.03417	9.3
81.06595	6.0
81.07062	97.9
83.04989	4.7
83.08597	9.5
85.02910	94.5
91.03983	4.3
91.05495	44.5
93.06495	4.4
93.07053	76.8
95.04952	8.9
95.08612	93.7
97.02901	29.0
97.10151	10.3
99.04436	6.7
103.05512	4.3
105.07037	69.9
107.07874	6.3
107.08596	100.0
109.02863	10.0
109.06525	3.5
109.10161	74.6
117.07027	10.9
119.08592	85.4
121.10152	63.6
123.11710	33.6
126.25542	3.1
127.03927	24.2
129.06956	5.3
131.08592	24.4
133.10147	48.6
135.11703	41.8
137.13272	8.5
142.07809	5.0
143.08583	16.1
145.04965	41.2
145.10143	32.7
147.11690	43.0
149.13272	35.4
152.65211	3.5
154.23270	3.2
155.08522	4.9
155.99312	3.3
156.09332	3.7
157.10178	17.6
159.11725	31.9
161.13251	31.6
163.06018	14.1
163.14845	22.9
169.10220	7.4
169.25595	2.8
171.11649	17.8
173.13266	27.1
175.14836	23.9
175.50475	3.0
177.16373	17.4
183.11688	9.8
185.13284	10.7
187.14870	21.3
189.16415	20.4
191.17905	6.6
197.13297	7.0
199.14833	12.2
201.16350	17.2
203.18039	14.2
209.13277	5.5
211.14841	7.4
213.16418	16.0
215.17947	11.2
217.19495	13.4
225.16408	6.2
227.17961	7.1
229.19501	7.3
239.17947	4.8
241.19492	3.7
243.21043	8.7
245.22466	3.6
253.19655	3.1
255.21181	6.3
257.22635	6.3
267.21143	6.1
269.22461	8.6
271.24213	11.8
281.22647	5.1
283.24069	5.5
295.24161	5.1
297.25690	3.4
323.27219	3.7
325.11124	4.6
325.29150	4.6
337.28766	5.0
402.08734	3.3
419.37350	3.4
541.47809	20.1
559.48950	23.5
615.43567	3.2
703.53076	4.0
721.53510	6.6
721.76050	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	1063.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05498	0.8
81.07057	1.5
82.06557	1.4
84.04502	7.2
84.08139	4.8
85.04026	3.5
86.09708	56.0
87.05591	2.1
91.05486	20.3
95.04969	0.7
95.08638	0.7
98.09687	1.5
98.97595	0.8
99.09187	1.7
100.07605	1.9
107.04922	2.0
107.08525	1.2
109.06490	0.8
113.10799	1.6
115.05579	4.0
117.05753	2.8
117.07012	1.2
118.06551	1.6
119.04948	10.4
121.10210	0.8
123.04407	1.1
125.10764	1.0
127.08669	5.5
129.10306	0.8
130.06534	28.0
132.07205	1.1
132.08107	15.5
134.05971	0.7
136.07585	73.1
139.08684	4.7
141.10208	4.1
142.06520	5.1
143.07338	1.3
143.11787	2.0
144.08076	24.8
146.05949	1.1
148.07570	2.4
153.10229	3.2
154.06529	4.1
154.27460	0.7
155.05968	1.1
155.08151	1.1
155.11798	1.2
156.08075	2.4
157.07616	1.6
158.08377	6.5
159.09180	49.0
160.07605	3.0
160.09338	0.8
162.05516	7.3
165.05479	1.0
166.09727	0.9
166.47855	0.8
167.08183	2.0
169.07613	100.0
170.06023	31.8
170.08189	2.3
171.09196	14.5
174.05428	0.8
178.12274	2.9
181.07617	5.0
181.09718	23.1
182.06027	3.3
182.08295	1.5
183.09154	3.0
184.10820	8.9
185.07045	3.6
186.10281	5.3
187.08582	1.2
188.06879	0.8
191.08295	1.1
195.07648	7.6
195.14841	1.0
196.10864	1.6
197.07108	20.7
197.16481	1.2
198.05507	2.9
198.07613	0.7
198.10300	2.2
199.08725	5.0
200.14374	1.2
207.14900	2.2
207.40312	0.9
208.08687	2.6
208.10970	1.4
209.07063	4.4
209.09218	8.7
209.10814	1.0
210.10223	1.1
210.12537	1.0
211.08690	5.7
211.12148	0.7
212.10313	24.8
215.08179	2.6
223.12270	2.6
224.08324	0.9
224.10245	3.8
225.06580	2.2
225.13889	1.5
226.09734	10.1
227.08197	1.0
227.10373	1.0
227.15388	2.3
235.14464	1.9
236.08150	1.3
237.13838	3.2
239.11765	1.0
239.15543	1.1
241.13390	1.4
245.12900	1.4
251.11781	6.2
252.17116	5.8
253.13252	1.3
254.09319	1.6
260.10571	2.1
265.13400	1.4
268.14462	10.8
269.12817	0.9
279.18237	1.2
280.14322	4.4
280.16898	13.6
281.12784	2.0
282.12402	2.0
282.15714	1.1
293.12994	1.0
296.13937	9.8
297.19159	2.1
298.15436	1.3
300.17114	2.1
302.15054	1.0
307.15277	0.8
308.13895	9.5
310.11880	3.3
322.15457	1.5
324.13446	8.7
325.16315	3.0
325.18637	13.2
326.15018	2.1
332.13940	1.0
335.15045	5.4
336.13412	14.3
344.15842	2.0
351.13367	10.8
353.16083	37.4
354.16550	1.2
356.16187	1.0
367.17642	1.1
368.16101	16.2
371.17178	1.4
372.15564	1.2
375.16342	1.6
378.14505	6.1
381.15570	2.3
389.18222	11.6
395.17081	1.5
399.16672	1.3
421.22375	3.5
431.21027	1.5
436.22079	1.8
438.24994	17.9
439.23996	0.9
440.26566	1.2
448.23099	1.2
449.21695	5.4
460.25214	1.3
466.24539	75.9
467.24521	3.4
468.26129	5.9
476.22919	1.1
477.21265	1.8
483.26776	3.7
484.26398	0.9
494.24008	51.3
495.24365	2.1
505.20898	2.1
511.26749	10.2
512.25641	1.0
516.22217	2.3
540.22571	1.4
544.22058	1.6
545.20435	0.8
555.25275	1.5
556.95837	0.9
562.23022	6.7
568.21655	1.7
583.25104	9.2
585.24341	1.7
601.31604	1.3
629.30579	5.2
630.30194	0.9
646.33118	3.0
647.31818	5.4
657.30219	6.3
667.28882	5.3
668.34015	5.9
674.32910	1.4
675.20691	0.5
675.31317	13.9
676.31329	1.0
684.31250	1.6
692.34180	0.9
696.33203	5.3
724.30859	5.2
741.33197	1.8
809.38885	2.3
826.42432	1.8
827.41553	0.9
837.39771	3.5
854.29041	0.8
854.41772	10.3
855.41827	1.4
882.41467	9.8
883.16705	0.8
883.42810	1.0
901.19086	1.4
929.97919	0.8
1035.47266	2.3
1045.46387	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	1059.6236
Annotation	Unknow
Peak:m/z	Relative Intensity
81.06966	0.2
82.67932	0.2
85.02836	0.4
93.06922	0.3
93.35380	0.2
105.06975	0.3
107.08487	0.3
119.08504	0.2
126.67462	0.2
159.11641	0.3
169.04611	0.3
185.04094	0.6
203.05061	0.3
303.10284	0.3
314.00424	0.2
331.09952	1.5
347.09460	1.4
407.50095	0.2
459.10825	0.2
461.25024	1.7
463.26602	1.8
473.28854	0.5
475.30136	0.8
508.39545	0.3
513.66089	0.3
612.52423	0.2
619.34534	8.2
620.34833	0.3
621.36139	31.8
622.36432	1.3
1059.62366	100.0
1060.62671	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	1054.6683
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02914	3.6
75.04473	4.0
77.03932	1.8
79.05495	31.5
81.03419	9.2
81.07058	67.7
83.04982	14.1
83.08617	5.8
85.02906	100.0
85.06546	0.8
86.06078	0.7
87.04472	3.3
91.04630	0.6
91.04894	1.0
91.05482	33.5
93.07045	51.8
94.07348	0.6
95.04976	9.2
95.08609	53.9
97.02892	7.3
97.06546	2.3
97.10182	3.9
98.21483	1.3
99.04462	5.0
99.08103	0.6
101.06044	0.9
103.03964	1.5
103.05473	1.8
105.04526	1.9
105.07033	52.6
107.04964	1.8
107.08595	55.4
108.04478	0.7
109.02908	3.4
109.06525	3.6
109.10159	41.6
111.04446	10.3
111.08085	2.1
111.11742	1.5
113.05989	0.8
115.03963	0.6
115.05480	1.6
116.06244	1.0
117.05491	0.5
117.07018	12.1
119.08585	50.2
120.08905	0.7
121.06517	1.8
121.10148	37.9
123.04437	1.8
123.08089	2.2
123.11704	13.0
125.05985	0.7
125.09615	1.2
127.03922	6.6
128.06229	2.1
129.05489	33.5
129.06906	4.7
130.07809	2.1
131.08569	16.9
133.06508	1.5
133.10135	24.7
135.08104	1.8
135.11697	24.0
136.77509	0.5
137.05986	0.8
137.09665	1.1
137.13248	3.2
139.07602	0.5
139.11177	0.9
141.07027	1.8
141.78618	0.6
142.07796	2.3
143.08565	7.7
144.09357	1.7
145.04964	2.4
145.06497	1.3
145.10129	23.7
146.08157	0.9
147.06522	11.6
147.07935	1.4
147.10509	1.2
147.11688	23.6
149.05942	0.6
149.09653	1.9
149.13260	20.9
151.07555	1.6
151.11197	1.7
151.14821	1.0
153.07033	0.9
155.08609	2.5
156.09380	0.9
157.06572	0.9
157.10129	6.9
158.10960	0.9
159.08102	1.9
159.11696	28.3
160.12497	0.6
161.09666	1.1
161.13255	23.4
163.07709	0.6
163.11192	1.5
163.14822	16.8
164.09232	1.5
165.09070	0.7
165.12740	1.2
167.08583	1.3
167.10678	0.6
169.10133	4.2
171.07997	0.7
171.11682	5.3
173.09654	1.9
173.13264	12.6
175.11176	1.7
175.14825	15.1
177.12830	0.9
177.16382	10.4
177.17850	0.9
179.08682	0.8
179.14279	0.8
181.08730	0.9
181.10194	1.7
183.11708	4.4
183.13152	0.8
185.09668	1.3
185.13277	4.9
187.11238	1.7
187.14819	9.5
189.12776	1.4
189.16365	10.7
191.10704	0.8
191.17929	2.7
193.10129	0.6
193.15981	0.7
195.11813	1.7
197.13322	2.4
199.11217	1.7
199.14864	4.2
199.16512	0.8
201.12791	1.6
201.16399	12.0
203.10730	0.8
203.14430	1.2
203.17961	6.9
205.12405	1.2
205.15833	1.1
206.10648	0.7
207.11755	0.7
209.13242	1.6
211.11195	0.9
211.14842	2.1
213.12781	1.0
213.16336	3.4
215.14481	2.0
215.17967	19.7
217.16025	0.8
217.19652	1.2
219.13875	0.8
221.13408	0.7
223.14931	0.9
225.16400	1.7
227.18016	2.0
229.12363	0.7
229.15913	0.9
229.19469	3.1
231.17586	0.7
231.21185	1.5
237.07585	1.3
237.16539	0.9
239.18021	1.2
241.19585	1.4
243.14038	0.8
243.21077	2.8
245.15382	0.7
251.18077	0.8
255.08696	1.7
255.21053	1.5
257.22720	2.0
259.20636	1.8
261.22174	3.1
269.22705	4.1
271.24213	30.2
272.24490	1.1
273.09924	0.8
273.22052	1.1
277.14404	0.8
277.21756	1.5
279.23297	1.0
281.22852	1.0
283.24234	1.5
285.22156	0.8
287.20279	1.3
287.23676	1.0
289.21857	1.1
289.25323	2.1
291.23318	1.4
295.21091	0.6
295.24307	1.5
297.22330	1.0
299.23563	0.9
301.21661	1.6
303.23355	3.3
311.23468	0.6
313.21628	1.4
313.25089	1.2
315.23407	1.9
319.22894	1.7
323.23685	0.7
325.25345	0.9
327.23251	2.0
329.21121	0.7
331.22687	1.4
341.24896	1.8
343.26486	0.8
345.24292	1.9
351.23117	4.5
353.24680	1.3
355.26419	0.6
359.25806	0.9
361.23889	1.1
369.24210	10.1
371.25778	1.9
381.28003	0.9
387.25336	11.9
389.27005	1.1
399.28909	1.2
403.25211	0.8
405.26376	11.2
417.30017	1.9
417.45444	0.7
423.27307	3.6
497.29138	1.1
515.30078	1.8
533.30688	2.7
551.32025	1.2
614.39404	0.7
741.19867	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1054.6684
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02904	2.3
73.06554	0.9
75.04467	2.1
77.03936	2.7
79.05495	49.6
81.03417	14.2
81.07056	100.0
83.04980	10.0
83.08612	9.3
85.02906	43.1
85.06527	1.1
87.04473	2.1
90.47086	0.7
91.05484	50.3
93.07047	77.5
95.04977	9.8
95.08610	88.1
97.02884	9.5
97.06526	3.0
97.10175	6.5
98.20788	2.1
99.04420	2.7
101.06025	0.8
103.03938	1.1
103.05463	3.7
105.04521	3.9
105.07032	73.5
107.04949	2.1
107.08598	85.2
109.02852	5.4
109.06510	4.5
109.10158	62.5
111.04436	7.8
111.08099	1.2
111.11713	1.5
115.05477	3.4
117.07013	16.0
119.08585	69.8
121.06525	2.5
121.10145	58.3
123.04440	1.5
123.08079	2.7
123.11713	22.2
125.06026	1.6
125.09637	1.7
127.03937	5.2
128.06226	3.5
129.05495	12.2
129.07002	8.0
130.07756	1.2
131.04924	1.2
131.08585	26.3
132.09351	1.1
133.06477	1.9
133.10133	38.5
135.08076	3.5
135.11703	31.5
135.12692	0.7
137.05899	1.3
137.09613	1.3
137.13266	4.1
139.11148	1.5
141.06984	2.4
142.07758	3.0
143.08556	10.4
144.09370	3.2
145.04991	2.1
145.06468	2.1
145.10129	33.0
146.10999	0.8
147.06517	6.4
147.08043	2.3
147.10519	1.7
147.11694	34.6
149.09625	3.8
149.13263	34.0
151.11160	1.1
151.14830	1.1
153.12727	0.9
155.08553	3.9
156.09416	1.5
157.06470	1.0
157.10147	8.0
159.08055	1.3
159.11696	42.8
161.09607	2.6
161.13263	34.1
161.14609	1.8
163.07593	1.0
163.11153	1.7
163.14824	25.3
165.06984	1.0
165.09012	0.9
167.08644	1.1
169.10088	5.1
171.08136	1.2
171.11710	8.1
173.13272	20.6
175.11191	1.6
175.14836	20.1
177.12810	1.4
177.16396	12.8
181.10043	1.7
183.11617	3.9
185.09642	0.9
185.13306	4.8
187.14824	13.1
189.12804	1.8
189.16360	13.3
191.14372	1.1
191.17921	2.4
193.10118	0.8
195.11699	3.3
197.13298	3.1
199.11206	1.5
199.14806	5.7
201.12779	1.1
201.16388	20.1
203.14372	1.1
203.17961	8.3
207.11777	1.0
209.13289	2.4
211.14836	2.3
213.12766	1.3
213.16339	4.7
215.14592	1.3
215.17957	30.2
217.15887	1.0
217.19522	1.6
223.14919	1.5
225.16295	2.1
227.14317	1.2
227.18011	1.7
229.12164	1.2
229.15903	0.9
229.19492	4.2
231.21072	1.8
237.07451	1.4
237.16490	1.4
241.19379	1.9
243.21146	3.8
253.19556	1.0
255.21165	1.8
257.19131	1.1
257.22659	3.5
259.20486	4.0
261.22083	6.7
267.21030	1.1
269.22696	2.3
271.24216	52.2
275.23676	1.1
277.14426	1.2
277.21631	3.0
281.22699	1.5
285.22064	1.4
289.21701	1.6
289.25174	2.0
291.23337	1.9
295.20734	1.0
295.24091	1.3
297.22150	1.2
301.21603	1.9
303.23184	3.7
309.12048	1.1
309.22098	0.9
315.23193	2.3
319.22925	1.1
323.23721	1.2
325.21729	1.0
327.23264	1.5
341.24719	2.3
345.24396	1.9
351.23230	3.0
369.24222	8.1
381.27341	1.0
387.25333	8.7
405.26355	6.5
417.30087	2.6
423.27402	1.5
523.17944	1.0
533.30774	1.7
561.95911	0.9
693.51117	1.6
887.34888	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02865	0.6
77.03864	0.5
81.03352	1.3
84.08108	0.5
85.02908	10.2
85.03372	0.5
89.03856	1.3
89.10746	0.7
90.20924	0.3
91.03934	0.8
91.05416	0.8
91.68251	0.3
94.04126	0.7
95.04879	0.6
96.04450	0.5
97.02891	4.7
98.06057	33.0
98.06960	1.0
99.04406	0.7
99.09234	1.9
105.03333	0.8
107.04896	0.5
109.02828	0.5
110.03599	0.4
110.06022	0.4
111.00732	0.4
114.09110	0.8
115.08700	25.4
115.09449	0.9
117.03387	1.7
119.04881	0.7
121.06506	2.1
122.03567	0.5
127.03947	2.0
127.08675	1.7
129.10147	0.3
131.04883	0.4
133.02863	12.1
134.03511	0.3
134.06009	0.3
135.04419	3.0
136.04074	0.5
136.05197	4.6
137.02298	0.7
137.05980	7.3
140.55788	0.3
145.02850	6.7
145.04901	1.9
147.04256	0.9
149.05968	2.7
150.06770	4.5
150.09047	1.0
152.06999	0.8
153.01846	3.5
157.09712	2.3
161.02338	0.6
162.09148	0.3
165.01794	0.8
165.05420	0.8
165.07765	1.3
166.08566	0.5
173.02290	0.4
175.03854	0.5
176.04704	0.4
177.05473	18.1
178.06044	0.4
179.03381	0.8
180.10091	0.4
181.09653	0.6
187.03957	0.4
189.05423	0.8
192.06485	1.1
193.09654	1.2
201.05386	0.7
203.03294	0.3
206.11699	1.0
213.05472	0.4
215.03342	0.6
217.04973	5.3
223.10672	0.9
223.14224	0.4
229.04938	3.7
230.05574	0.5
236.12813	0.7
241.11870	0.7
243.06209	0.4
245.04472	7.8
246.11267	2.2
248.10565	0.4
248.12866	4.7
253.04909	0.6
257.04459	3.3
258.05087	0.4
263.13940	5.3
264.14645	4.0
265.15500	7.4
269.04440	1.6
270.04993	0.5
270.07593	0.4
273.03937	9.2
274.04761	0.6
285.03943	6.4
286.04593	0.9
287.05484	3.2
297.03976	0.5
299.05371	0.6
301.03433	16.6
302.04144	2.2
303.04984	9.9
313.03415	17.5
314.03726	0.5
327.05014	14.3
337.06976	0.7
390.07700	0.3
391.08002	0.7
407.07642	0.6
408.18082	0.4
434.06299	0.7
449.08878	3.5
451.10263	75.7
452.10678	1.9
477.08112	2.1
548.15503	2.0
565.18195	34.3
566.18268	0.7
607.19025	0.7
612.36200	0.4
613.15546	12.3
614.16595	0.4
628.13000	0.4
643.19403	0.4
655.19110	0.4
661.20642	0.5
673.20435	1.9
679.08044	0.3
691.21368	2.0
710.20813	1.2
727.23462	100.0
728.23792	4.4
769.24469	3.4
805.24750	1.8
835.25568	2.0
853.26611	2.1
871.27856	0.9
884.89569	0.3
889.28754	3.4
1051.33350	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	1051.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02921	0.6
77.03926	0.3
81.03427	1.6
83.50498	0.2
84.08142	0.8
85.02911	10.0
89.03914	1.2
89.10793	1.0
89.51363	0.3
91.03938	1.9
91.05484	1.2
93.07047	0.3
94.04195	0.6
95.04968	0.5
96.04484	0.4
97.02903	5.2
98.06061	35.4
99.04446	0.5
99.09212	1.9
103.05451	0.3
104.26189	0.3
105.03394	1.2
107.04968	1.2
109.02892	1.1
109.06522	0.4
111.00827	0.4
114.09191	1.1
115.08698	27.6
117.03365	1.8
119.04947	0.5
119.53619	0.3
120.05684	0.3
120.08119	0.3
121.02911	0.7
121.06534	1.5
122.03651	0.9
122.31683	0.3
127.03917	2.4
127.08693	1.8
131.41544	0.3
133.01851	0.6
133.02861	12.1
134.03653	0.6
135.04425	2.4
136.04131	0.5
136.05200	5.6
137.02345	0.4
137.05981	8.6
145.02852	8.3
145.04971	1.0
147.04416	0.5
149.05978	3.1
150.05620	0.4
150.06775	5.5
150.09219	0.9
151.07568	0.6
152.07103	0.8
153.01830	3.4
157.09720	2.1
159.04361	0.3
161.02307	0.5
161.05968	0.4
163.03990	0.3
163.06065	0.6
165.01859	1.2
165.05528	0.9
165.07913	1.1
166.08603	0.2
166.77634	0.2
173.02475	0.3
173.06140	0.4
174.05473	0.4
175.03914	0.4
176.04703	0.5
176.07144	0.6
177.05475	19.6
178.06244	0.6
178.08702	0.4
178.56927	0.2
179.03455	0.5
180.10172	0.3
181.09785	0.7
187.03952	0.4
189.05466	0.5
192.06552	1.6
192.10274	0.5
193.09752	1.6
201.05534	1.0
206.11772	0.5
213.05609	0.3
217.04968	5.4
220.13400	0.4
223.10843	1.1
229.04959	3.7
231.02896	0.3
236.12888	1.1
241.11960	0.6
243.03088	0.4
245.04477	8.1
246.11295	1.8
247.12077	0.6
248.12842	5.0
253.05019	0.6
253.15504	0.3
257.04495	3.8
258.05316	0.8
263.13931	5.3
263.16501	0.4
264.14706	4.0
265.15509	6.9
266.15710	0.3
267.06384	0.3
269.04477	1.9
271.06097	0.4
273.03946	9.8
274.04663	0.5
281.04688	0.4
285.03937	6.9
286.04712	1.4
287.05518	2.3
297.03995	0.4
299.05649	0.6
301.03452	19.0
302.04208	2.5
303.05008	8.2
313.03427	18.1
314.03784	0.3
315.05426	0.3
327.04990	14.2
328.05347	0.4
337.07159	1.1
351.04831	0.3
353.02997	0.6
389.06650	0.6
391.08231	0.6
407.07626	0.5
419.07446	0.4
421.09265	0.3
433.09357	0.3
434.06558	0.5
449.08658	3.5
451.10269	82.3
452.10562	2.5
459.07141	0.3
477.08054	1.9
548.15570	2.4
565.18195	33.5
566.18555	1.1
607.19415	1.0
613.15558	13.9
614.15717	0.8
631.19257	0.4
643.19757	0.6
655.19299	0.6
661.20361	0.5
673.20111	2.1
691.21356	2.2
697.81757	0.3
710.20679	1.1
727.23474	100.0
728.23761	4.6
769.24298	3.1
789.42456	0.3
805.24634	2.2
835.25439	1.6
853.26849	2.4
871.27972	1.4
889.28925	4.4
1051.33569	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02380	2.4
53.03715	0.9
53.03952	15.2
55.01873	1.0
55.56211	0.5
59.06937	1.4
63.33208	0.5
65.03925	0.7
69.70129	0.5
71.50329	0.7
77.03937	4.4
79.05499	55.1
80.82024	0.6
81.03406	1.3
95.04977	13.7
103.05476	30.4
105.04549	6.5
105.07040	100.0
106.07404	1.1
118.06524	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0704
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02382	2.0
53.03712	1.0
53.03954	15.0
55.01871	0.8
59.06941	1.2
65.03938	1.1
70.20840	1.3
70.21237	1.1
77.03939	5.6
79.05505	58.4
80.05817	0.8
81.03436	1.7
95.04984	15.2
99.13937	0.5
103.05480	33.1
104.05765	0.7
105.04530	7.9
105.07044	100.0
106.07365	1.1
110.04144	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0704
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01608	0.3
51.02385	2.0
53.03952	14.4
53.04208	0.7
55.01867	0.9
56.96576	0.3
59.06950	0.7
60.04517	0.5
60.08158	0.5
61.08503	0.5
67.95319	0.3
69.84785	0.3
70.22156	1.1
77.03931	6.2
79.05499	57.3
80.05810	0.4
81.03423	1.4
88.04807	0.7
95.04974	14.4
96.16688	0.3
98.21407	0.5
103.05476	43.0
105.04539	7.7
105.07040	100.0
105.11073	1.6
106.07383	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	105.0704
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02375	2.0
53.03716	1.0
53.03954	18.6
55.01856	0.7
58.06609	3.7
59.06305	0.7
59.06944	10.2
60.04519	1.3
60.08165	1.9
61.08496	2.1
63.67818	0.8
65.03935	1.8
70.03764	1.3
71.50384	1.2
77.03941	4.3
79.05502	49.0
81.03438	1.8
87.06406	0.9
88.04810	2.8
95.04979	16.9
96.04504	1.3
103.05479	31.4
105.03472	3.3
105.04540	11.2
105.07040	100.0
105.11085	6.2
106.06576	1.2
106.07365	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02379	1.3
53.03951	14.3
55.01855	1.1
65.03934	1.9
70.85110	1.8
77.03930	5.9
79.05497	52.1
81.03439	1.1
95.04971	13.4
99.69295	0.6
103.05472	32.7
105.04536	7.1
105.07036	100.0
106.07388	0.7
109.81797	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04175	0.3
56.05016	0.2
58.06604	5.9
59.07383	1.6
60.08168	53.6
62.26163	0.3
69.03421	1.1
70.12305	0.6
87.04479	2.4
104.10750	100.0
110.77300	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
72.04517	3.0
72.08160	18.5
78.15436	0.5
79.05484	0.6
82.06583	1.6
83.06107	1.3
84.04501	9.0
84.08132	4.1
85.02934	0.5
85.04034	3.3
86.09704	2.8
87.05605	1.1
89.47452	0.5
91.04900	1.0
91.05482	18.7
94.02959	1.3
95.04993	1.0
96.43119	0.5
97.04025	3.2
98.02430	0.8
98.06100	1.0
99.05583	8.4
99.09229	1.7
100.07664	0.6
101.07158	1.6
103.05479	0.7
107.04968	2.1
107.08606	0.7
109.04016	0.9
111.05566	8.7
113.07150	0.7
113.10762	0.9
115.05044	2.5
115.05492	2.2
115.08660	0.8
117.05738	2.3
118.06546	2.8
119.04947	13.0
120.08083	1.4
121.06544	0.6
123.04438	0.9
123.05550	1.0
127.04207	0.5
127.05022	3.2
127.08683	4.4
129.06599	4.6
129.10201	1.1
130.06526	31.9
132.07077	0.8
132.08092	21.5
136.07582	99.0
137.03455	2.0
137.07965	1.1
139.04999	2.4
139.08669	7.3
139.32297	0.5
141.10236	1.4
142.06526	5.5
142.08578	0.6
143.04636	0.5
143.07300	0.6
144.08093	16.1
145.06087	1.0
145.07625	1.8
146.06042	1.5
147.04388	1.2
148.07587	1.7
151.08647	2.2
153.10300	0.7
154.06555	4.5
155.04509	3.9
155.05789	0.7
155.08142	0.8
156.08066	2.7
157.06128	1.9
157.07617	3.4
157.09706	1.0
158.06181	0.8
158.08401	18.8
159.09181	63.0
160.07596	2.9
162.05499	4.5
164.07007	0.7
165.05463	1.9
166.06418	1.0
167.08200	2.2
168.08086	2.0
169.07611	100.0
169.09889	2.5
170.06020	22.6
170.08267	2.3
171.09167	11.5
172.07544	1.1
174.05534	0.9
180.11346	1.5
181.07643	4.5
181.09721	27.3
182.06052	3.4
182.08223	4.1
182.09700	0.8
183.04022	1.2
183.09192	8.2
184.07394	1.9
184.10832	2.9
185.07117	4.7
185.08804	0.8
185.10617	0.7
186.10262	3.9
187.08661	4.4
188.07045	0.8
191.08212	0.7
193.07600	1.6
193.09689	0.9
195.05925	1.0
195.07646	6.2
195.09232	3.3
196.11189	0.6
197.07117	19.8
197.09079	1.1
198.05496	5.5
198.07401	0.8
198.10284	1.6
198.12260	0.6
199.08730	5.2
201.10243	0.8
207.09163	1.2
208.08701	2.3
208.10799	11.6
208.12767	0.8
209.07117	3.7
209.09224	9.3
210.10345	3.3
210.12021	0.6
211.08658	11.9
212.10274	1.6
213.06631	0.5
213.13712	0.6
214.09631	0.6
215.08206	2.4
220.08687	0.6
221.07040	2.2
222.10275	1.3
223.08629	1.7
223.12347	1.2
224.08281	0.8
225.06525	1.7
226.09714	6.3
226.11855	16.3
227.08156	0.9
228.11256	1.6
234.10184	1.5
235.08707	0.9
236.08131	1.3
236.10284	12.3
238.09776	7.0
239.08072	1.7
239.11880	1.0
240.11316	1.7
240.14960	1.1
241.13321	1.0
244.12958	0.5
245.12918	1.4
246.12337	1.4
248.08229	0.6
250.09769	3.9
250.12376	0.6
250.13412	0.6
251.08189	1.2
251.11766	6.4
252.07578	0.7
253.13232	2.8
254.09250	1.1
254.11389	9.9
255.12021	0.7
256.10889	3.3
256.14514	0.7
260.08142	0.9
260.10617	1.0
263.11633	0.6
264.09839	7.6
265.10709	0.6
266.09259	5.0
266.12762	1.9
267.07516	1.0
267.11221	0.5
268.14407	7.0
269.12656	0.7
270.16071	0.6
274.11838	1.9
276.07654	0.6
277.10648	1.0
278.09164	2.4
279.11362	1.1
280.14496	3.5
281.12573	5.7
282.10895	1.7
282.12387	1.5
283.11679	1.1
284.10266	1.3
284.13766	2.3
290.15112	1.0
294.08792	0.7
294.12262	0.9
296.10394	1.3
296.13876	10.7
298.15411	1.0
299.13489	2.7
302.15033	1.4
305.12619	1.0
306.08701	2.4
307.15613	0.6
308.13907	6.2
310.11792	3.0
310.15051	0.9
312.13504	2.8
313.12845	1.5
316.14334	0.8
322.15460	0.7
323.11255	1.9
323.14716	1.1
324.09918	0.8
324.13416	10.6
325.16626	3.8
326.14859	2.1
328.16360	0.6
332.13910	1.3
335.14957	5.0
336.13391	3.6
337.16449	1.6
341.12289	1.2
341.16022	1.1
344.16202	3.6
349.16476	1.9
351.13583	5.4
351.17886	0.8
353.16095	11.5
356.15799	1.5
360.13144	0.6
361.16397	1.3
365.15863	1.6
367.17462	1.0
368.16220	5.0
371.16913	1.0
372.15454	3.0
375.16443	1.8
376.17572	1.0
377.16052	2.9
378.14307	2.8
378.19147	2.0
379.13382	1.0
379.17731	0.7
384.15656	1.3
389.18237	18.1
393.15631	0.5
394.18628	4.1
395.17114	2.5
399.16452	1.2
401.17917	1.2
404.17105	1.5
405.15533	3.9
410.17850	0.7
412.19556	2.5
420.16440	2.1
422.18246	54.3
423.16840	3.1
424.19724	2.2
425.17435	0.7
432.16638	0.9
439.20737	3.4
440.19315	46.2
441.19379	1.4
442.20853	6.5
443.21179	0.8
450.17764	26.4
455.18988	1.0
457.21997	2.5
467.20367	6.8
468.18808	44.8
469.18970	1.6
477.21191	0.9
485.21375	2.8
498.23267	0.8
505.20547	1.0
512.21362	0.7
526.22357	1.6
528.22150	1.0
538.22815	0.9
540.22021	1.2
544.21643	1.0
555.25806	4.7
557.24805	0.7
562.22614	0.7
568.22028	2.4
583.25018	7.7
585.24774	2.9
602.26678	1.6
603.25629	3.8
613.23407	1.2
620.27698	1.3
621.25952	2.1
630.25922	1.7
631.25079	19.8
632.24170	0.7
648.27283	1.5
649.26202	8.2
652.27417	3.9
655.28406	0.7
666.28259	0.9
667.28650	3.6
670.27527	2.0
684.30969	1.4
700.30011	1.1
712.30878	11.6
713.31281	0.7
724.29675	0.5
793.31781	2.3
810.35577	10.2
811.33496	1.9
828.35022	2.0
838.35071	9.5
856.35040	1.0
882.91876	2.1
883.17578	0.8
883.42358	1.0
883.66223	0.7
1001.39899	1.0
1019.40643	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	1036.4968
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08160	1.3
73.02923	3.6
74.06059	1.1
76.09284	0.7
77.03902	1.9
78.04721	0.8
79.05500	24.4
80.05014	3.1
81.03423	30.8
81.07061	44.0
82.06589	1.1
83.04971	2.9
83.08600	1.7
84.04510	8.9
84.08134	1.9
85.02911	29.8
86.06057	1.4
86.09721	3.5
87.00835	7.4
87.04429	0.7
91.03951	0.8
91.05490	28.9
93.07050	42.2
94.06570	15.3
95.04975	25.1
95.05945	0.6
95.08611	29.9
96.04491	6.9
97.02294	1.4
97.02898	22.0
97.10164	1.4
98.06072	5.0
99.04467	9.7
103.03941	1.3
103.05473	1.8
105.01855	3.5
105.03403	0.9
105.04519	3.7
105.07042	29.7
106.06547	0.6
107.04970	0.9
107.08601	42.7
108.04482	1.2
109.02885	34.1
109.06534	1.2
109.10166	22.1
110.06054	4.9
111.04461	3.5
111.06853	0.8
112.03973	54.6
112.07608	6.6
112.08734	1.4
114.05545	18.7
115.03925	1.4
115.08715	0.9
117.05632	0.7
117.07034	3.8
119.06107	0.8
119.08586	25.7
119.86307	0.6
120.08105	2.6
121.09322	1.4
121.10150	18.2
122.06037	13.1
123.04441	30.1
123.11744	6.0
125.02367	1.0
125.87543	0.7
126.05517	1.5
127.03925	37.5
129.01869	3.5
129.05472	1.3
131.08589	4.8
132.06567	1.4
133.10147	11.7
135.11691	12.2
136.07584	1.5
137.13264	1.0
138.05531	1.1
139.03932	0.8
140.07072	100.0
141.01848	6.2
141.05461	5.4
141.07376	0.8
142.08698	1.1
143.08554	0.9
144.09357	0.8
145.04965	7.5
145.10146	7.5
147.02895	2.2
147.04370	0.9
147.10651	1.2
147.11699	11.9
147.12801	1.0
148.16985	0.7
149.13278	8.0
151.03896	0.7
152.07065	0.9
154.04950	0.7
154.08603	0.9
156.06584	2.2
157.10161	0.8
158.08138	71.7
159.02936	5.7
159.11696	9.5
161.13255	8.1
163.14841	6.0
164.07126	2.3
165.05479	0.8
171.11703	0.7
173.13257	3.3
175.14842	3.7
176.09189	70.3
177.09633	0.9
177.16411	3.7
182.08177	2.9
183.11699	0.7
187.14856	2.5
189.03893	1.1
189.16426	2.3
195.02986	0.9
200.09244	2.9
201.03914	1.0
201.16441	3.5
202.08662	0.9
203.18025	2.9
213.03993	7.0
215.17935	6.7
218.10294	3.8
230.08156	1.4
231.04999	5.3
248.09167	1.4
249.06113	0.8
266.10291	1.3
271.24222	6.2
273.06079	1.7
285.05872	1.1
291.07593	0.8
302.59778	0.9
303.07196	1.6
320.13385	0.8
338.14447	5.0
339.07181	2.7
357.08185	4.7
375.09344	4.7
388.12207	0.9
393.10071	0.8
406.13489	3.2
466.15494	1.2
489.22705	0.7
496.14001	1.6
506.15433	1.0
511.22906	0.9
514.15369	3.3
532.16736	5.4
550.17633	15.4
568.18787	49.5
569.20203	0.8
586.19812	69.8
587.20038	1.6
720.31097	1.9
730.24524	1.5
748.25098	1.6
788.36523	5.4
838.42438	7.6
856.43256	91.2
857.43402	5.0
869.15802	1.5
869.42554	1.2
869.66821	5.2
869.91266	3.4
870.16266	2.7
870.41290	2.6
874.44409	5.0
1018.48639	4.5
1036.49817	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	103.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01577	1.0
51.02381	4.2
53.03949	34.8
55.01872	1.5
57.03444	1.0
57.78209	0.6
58.06602	9.1
60.08172	3.5
64.15202	0.7
67.82157	0.6
69.03419	1.3
69.31700	6.0
70.77252	0.6
77.03935	9.2
81.03416	3.0
81.33576	0.6
85.02910	1.4
86.03224	1.6
86.06068	1.1
87.04459	2.9
95.04970	27.6
102.04688	5.1
103.04011	2.1
103.05469	100.0
104.05827	0.8
104.10746	7.1
105.04514	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01580	1.3
50.45368	0.7
51.02380	3.9
51.93623	0.6
53.03951	32.3
53.04206	1.5
53.98305	0.6
55.01865	1.6
58.06591	1.6
59.10443	0.8
59.15530	0.6
60.08168	1.6
66.06858	0.6
69.03448	0.9
70.30665	1.7
75.52274	0.7
77.03935	9.8
81.03407	2.5
87.04472	1.5
88.59184	0.9
95.04974	29.3
102.04691	4.8
103.05473	100.0
104.10783	3.3
105.04523	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	1026.6375
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01360	1.4
71.04997	64.7
73.02921	3.1
75.04488	4.4
77.03939	1.7
79.05497	28.1
81.02992	0.7
81.03429	9.2
81.07061	63.6
83.04495	0.8
83.04987	13.7
83.08624	5.8
85.02909	100.0
85.06549	1.3
86.06063	0.6
87.04480	3.0
91.05486	33.9
93.07048	52.9
95.04980	8.8
95.08611	53.6
97.02894	7.3
97.06502	2.9
97.10177	3.4
99.04449	4.0
99.08125	1.1
101.06002	1.0
103.03947	0.8
103.05472	2.0
104.07137	0.7
105.04511	1.8
105.07036	49.0
107.04960	1.9
107.08600	55.2
108.04472	0.8
108.08898	0.6
109.02872	3.5
109.06522	3.8
109.10161	40.2
111.04444	9.5
111.08086	3.0
111.11707	1.4
113.06057	0.9
115.03952	1.1
115.05482	2.0
116.06210	1.1
117.00568	0.6
117.05509	0.8
117.07028	10.2
119.08588	47.1
120.08880	0.6
121.06526	2.0
121.10149	34.9
123.04441	1.4
123.08077	2.7
123.11713	13.0
125.06027	0.8
125.09630	2.0
125.13297	0.6
127.03929	6.5
128.06221	1.6
129.05492	30.7
129.06929	5.0
130.07800	1.0
131.08580	18.3
133.06544	1.1
133.10139	25.1
135.08070	2.8
135.11702	20.1
137.05963	0.8
137.09630	2.3
137.13290	2.5
139.11099	0.8
141.07047	1.8
142.07808	2.3
143.07043	0.7
143.07399	0.6
143.08556	5.7
144.09341	1.6
145.04973	2.7
145.06413	0.9
145.10130	23.0
146.08191	0.7
147.06548	11.3
147.08081	1.7
147.11699	26.4
149.05991	1.0
149.09576	2.9
149.13268	22.8
151.07553	1.4
151.11134	1.1
153.05463	0.7
155.08577	3.2
156.09395	1.1
157.10126	8.0
158.10902	1.5
159.08075	1.2
159.11703	27.5
161.09642	2.1
161.13264	21.1
163.06004	0.7
163.11205	2.5
163.14835	15.4
164.09251	1.7
165.09189	1.2
165.12706	1.2
167.08632	0.8
168.09343	0.8
169.10129	3.3
171.08031	0.8
171.11703	7.9
173.09673	1.0
173.13281	13.7
175.07533	0.7
175.11255	1.8
175.14836	13.4
176.15367	0.7
177.09187	0.7
177.12772	1.3
177.16386	9.5
179.14378	1.1
181.10185	1.5
183.11722	2.3
185.09657	1.3
185.13266	4.0
187.11258	1.8
187.14798	7.8
189.12782	2.1
189.16379	8.5
191.10693	1.0
191.14343	0.7
191.18031	2.1
193.10167	0.8
195.10194	0.6
195.11746	2.5
195.13692	0.6
197.13290	3.0
199.11261	1.0
199.14851	3.7
201.12813	1.5
201.16377	12.5
203.10709	0.7
203.14336	1.0
203.17960	6.6
205.12216	1.0
205.19577	0.6
207.11797	0.9
207.13867	1.2
209.13371	1.0
211.11220	0.7
211.14761	2.6
213.12788	1.2
213.16386	4.3
215.14571	1.3
215.17958	21.8
217.12291	0.9
217.19525	1.3
217.72212	0.6
225.16426	1.9
227.14322	1.2
227.17889	2.6
229.12363	0.6
229.15970	1.4
229.19449	4.1
231.14021	0.8
231.17372	2.8
231.21147	1.7
233.18983	3.6
237.07582	1.3
237.16458	0.8
239.17969	1.6
241.15947	0.8
241.19554	1.2
243.21109	1.8
245.19086	0.8
247.16986	0.6
249.18533	2.7
251.17906	0.9
253.19562	1.1
255.08644	1.3
255.17415	0.8
255.21161	1.0
257.19037	1.3
257.22589	1.8
263.20151	1.4
267.21127	1.2
269.19162	1.2
269.22705	3.9
271.24219	28.3
272.24649	1.2
273.09805	0.7
273.18552	1.4
275.20102	3.7
281.19229	1.1
281.22562	1.1
283.24197	1.1
287.20068	1.7
289.25323	1.4
291.19595	1.6
295.20633	1.1
295.23932	0.8
299.20108	2.2
299.23431	0.7
309.11615	1.1
313.21658	2.0
313.25189	0.9
317.20981	1.4
323.20007	2.8
323.23587	0.6
325.21829	1.0
325.25327	0.8
331.22440	1.0
337.25204	0.8
341.21072	5.0
341.24817	0.8
343.22894	1.6
359.22195	8.4
361.23965	1.0
377.23264	11.2
379.00916	0.7
379.29028	0.6
381.27792	1.2
395.24078	3.1
399.29208	1.6
417.30151	3.2
487.26871	1.4
505.28033	2.1
523.29443	0.9
594.34937	0.7
614.39081	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1026.6374
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01358	1.2
71.04999	25.0
71.08640	0.9
73.02902	1.7
75.04493	1.4
77.03909	1.6
79.05498	49.6
81.03423	17.2
81.07060	100.0
83.04981	11.1
83.08627	9.9
85.02910	44.3
85.06564	2.1
87.04469	2.1
91.05483	48.2
92.05818	0.7
92.09837	0.7
93.07049	74.8
95.04974	9.2
95.08611	79.5
97.02892	8.9
97.06529	3.5
97.10170	4.9
99.04485	4.1
99.08124	1.8
103.03951	1.8
103.05480	2.9
105.04531	2.4
105.07037	71.3
107.04971	3.0
107.08601	80.4
109.02893	4.8
109.06519	4.7
109.10161	61.7
111.04451	8.1
111.08103	2.9
111.11721	2.5
113.06039	1.0
113.09702	0.8
115.03930	0.9
115.05476	2.7
116.06235	0.8
117.07027	17.4
119.08588	72.3
121.06532	2.8
121.10149	63.0
122.10525	0.8
123.04478	1.2
123.08092	2.9
123.11710	21.1
125.06015	1.2
125.09634	2.4
127.03929	6.4
128.06236	2.8
129.05499	15.2
129.06996	9.0
130.07809	2.7
131.05035	0.7
131.08575	27.3
133.06506	1.9
133.10141	38.3
135.08099	3.2
135.11699	34.3
135.12729	1.5
137.06013	1.3
137.09647	2.8
137.13283	5.2
139.07597	1.0
141.06993	1.8
142.07816	2.9
143.08565	9.6
144.09363	2.3
145.04991	2.5
145.06520	2.0
145.10133	30.8
146.10873	0.8
147.06525	7.5
147.07661	0.8
147.08122	0.8
147.11702	35.3
149.09695	3.6
149.13258	33.9
151.07620	2.2
151.11212	1.7
151.14838	0.9
153.06996	1.1
154.07710	1.0
155.08554	4.3
156.09267	0.8
157.10126	9.4
158.10936	1.1
159.08081	1.3
159.11708	41.6
160.12477	1.1
161.09691	3.0
161.13261	35.3
163.11205	2.7
163.13438	1.3
163.14827	25.4
165.09132	2.0
167.08592	1.2
169.10132	5.9
171.08054	1.1
171.11684	9.8
172.12421	0.8
173.06046	0.9
173.09659	2.6
173.13286	21.5
175.11198	2.0
175.14842	20.4
175.16277	1.5
177.09258	1.4
177.12866	2.2
177.16405	16.1
179.08684	1.2
179.10568	1.0
179.14282	1.3
181.10222	2.8
183.11708	5.2
185.09729	1.9
185.13274	6.2
187.11209	2.2
187.14833	12.5
189.09053	0.9
189.12788	2.9
189.16379	16.6
191.10742	0.9
191.14333	1.4
191.17992	3.2
193.10045	0.9
194.10852	1.1
195.11728	1.1
197.09552	0.8
197.13293	3.8
199.11218	1.8
199.14864	4.9
201.09195	0.9
201.12779	2.3
201.16408	18.8
203.10695	1.2
203.14357	1.5
203.17984	9.6
205.12109	1.4
205.19444	1.0
207.11882	1.1
207.13934	0.8
209.13333	1.9
211.11288	0.9
211.14879	2.5
213.12880	1.6
213.16408	6.5
215.14655	1.7
215.17967	39.7
216.18419	0.9
217.19588	2.3
219.13960	1.3
219.17613	1.0
223.14851	1.4
225.12851	1.1
225.16402	2.3
227.14441	1.3
227.18008	3.4
229.15941	1.1
229.19542	6.4
231.13956	0.9
231.17522	3.1
231.21091	1.6
233.18977	5.0
237.07683	1.1
239.14420	1.5
239.18057	2.7
243.13783	0.9
243.17484	1.3
243.21135	1.9
245.19083	2.4
247.16960	0.9
247.20688	0.7
249.18616	2.8
251.18065	1.0
251.20308	1.3
253.19481	1.3
255.08846	1.7
255.21219	1.9
257.15475	1.0
257.18945	1.7
257.22736	3.5
259.17044	1.4
261.18628	1.5
263.20169	2.0
267.21130	1.5
269.19363	0.8
269.22736	3.1
271.24225	58.5
272.24664	1.5
273.09940	1.3
273.18683	1.4
273.25934	1.3
275.20047	5.0
281.19122	0.9
281.22696	1.0
283.24179	1.2
287.20203	1.5
287.24237	0.9
289.25284	2.2
295.20905	1.1
295.24310	2.0
299.20090	1.6
309.11768	1.6
311.20239	1.0
311.23822	0.9
313.21756	2.1
313.25162	1.1
317.21228	2.2
323.20175	2.6
325.21774	0.7
341.21341	5.3
359.22141	7.9
377.23163	8.0
379.25601	0.7
381.27686	1.0
395.24472	1.8
399.28876	1.7
417.30133	2.8
487.27310	0.8
505.27863	1.2
528.50824	0.7
665.47736	0.8
844.26660	0.9
896.80194	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1026.5129
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01351	1.5
71.04994	47.7
72.08160	1.7
73.02924	4.0
75.04471	4.6
79.05496	11.8
81.03416	9.4
81.07057	32.1
83.04980	23.9
83.08618	2.5
84.08176	0.8
85.02907	100.0
86.09705	2.3
87.00835	8.3
87.04464	2.5
91.05485	13.3
93.07043	25.9
95.04973	5.9
95.08607	29.5
97.02895	10.4
97.06551	1.4
97.10175	1.5
99.04451	5.6
103.03956	0.9
103.05473	0.8
105.01864	11.7
105.07034	23.3
107.04971	1.4
107.08600	28.1
109.02885	12.9
109.06506	0.9
109.10158	24.5
111.04438	27.5
111.11681	0.7
113.06051	1.4
115.05465	1.1
117.05505	1.9
117.07043	2.9
119.04944	0.7
119.08582	22.3
120.08141	1.0
121.06531	1.8
121.10144	21.6
123.04442	1.7
123.08098	1.1
123.11717	7.3
125.02386	1.4
125.05998	1.4
125.09653	0.9
127.03924	21.1
129.01842	1.6
129.05487	27.3
130.07732	1.3
131.08578	6.8
133.10130	12.0
133.11084	0.7
135.04395	1.3
135.08067	1.3
135.11697	10.6
137.05960	1.4
137.13229	1.6
139.03880	0.7
139.07439	0.9
141.05495	1.2
143.08589	1.5
144.09384	1.7
145.04980	7.6
145.10117	9.3
146.08113	1.0
147.06543	12.5
147.07816	0.9
147.08192	0.8
147.11696	12.7
149.05978	1.0
149.13263	12.6
151.03928	1.1
151.07642	0.7
153.05469	4.5
157.04988	2.1
157.10124	3.4
159.02904	2.2
159.11696	15.6
161.13269	13.2
163.06059	1.3
163.07452	0.9
163.11130	0.9
163.14839	10.9
164.09265	0.9
165.05577	1.3
169.10133	1.1
171.06543	1.7
171.11710	2.1
173.09584	0.9
173.13243	6.8
175.14853	8.9
177.05452	0.9
177.16386	5.3
183.11650	0.9
185.13205	1.4
187.14821	5.5
188.57188	0.7
189.03986	3.0
189.16342	5.0
191.07123	0.8
191.14255	0.8
191.18013	1.7
195.06528	1.6
197.13226	1.3
199.14838	2.2
201.07622	1.2
201.16406	8.2
203.17957	5.9
211.14896	1.4
213.03946	7.2
213.07512	1.6
213.16441	2.1
215.17960	12.8
217.19702	1.4
223.14908	0.7
225.16373	1.2
227.17976	1.0
229.19548	2.7
231.05005	9.1
231.08690	1.6
231.21036	1.0
237.07573	7.4
239.09178	7.2
243.21111	1.1
249.06076	5.6
251.18037	0.9
255.08688	6.4
257.10184	5.2
257.22800	2.4
269.22739	1.5
271.24216	23.5
272.24631	1.0
273.06033	1.5
273.09793	2.6
275.07858	1.1
275.11343	4.2
283.24268	0.9
289.25156	2.2
293.12314	13.8
309.11874	1.8
315.10754	6.5
323.07703	1.2
341.08643	5.9
359.09702	8.0
377.10867	4.4
381.27954	1.7
395.11938	3.8
399.29141	1.9
417.30066	3.2
443.21545	0.7
548.22760	0.8
587.76617	0.8
589.31470	0.7
988.47449	1.0
988.79944	1.0
1026.82019	1.4
1027.13953	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1022.5555
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04979	0.2
72.08147	0.4
73.02896	0.6
79.05071	0.2
79.05496	3.6
81.03420	6.5
81.06594	0.2
81.07062	4.1
81.10779	0.2
83.04973	0.4
83.06101	0.2
83.08633	1.6
84.04518	0.3
84.08146	0.2
85.02908	2.0
86.09692	0.5
91.03953	1.2
91.05486	3.4
92.02505	0.3
93.07040	3.3
95.04971	1.6
95.08612	2.9
97.02382	0.2
97.02909	2.1
97.06528	0.2
97.10165	0.4
98.20806	0.2
101.02339	0.2
105.04460	0.2
105.06406	0.2
105.07042	2.0
107.04941	0.6
107.08595	2.1
109.06515	0.3
109.10169	1.1
110.07158	0.4
111.04446	0.2
111.08072	0.7
114.84608	0.2
115.05448	0.2
117.07011	0.4
119.03556	1.2
119.08589	2.0
121.06510	0.4
121.10149	1.7
123.08116	0.2
123.11703	0.4
127.03915	0.4
129.07004	0.7
129.10329	0.3
131.08566	1.3
133.06516	0.2
133.10135	1.0
135.11717	0.8
136.06192	100.0
137.04613	1.4
137.06580	0.5
137.09593	0.2
142.07761	0.2
145.05063	0.1
145.10129	0.5
147.08075	0.2
147.11736	1.0
149.09634	0.5
149.13286	0.5
157.10153	0.9
159.11757	0.4
161.04596	0.3
161.13310	0.3
173.13281	0.4
174.07788	0.4
175.11195	0.8
178.07213	0.9
181.26469	0.1
192.08780	0.2
193.12242	2.5
205.18715	0.2
211.13199	0.2
243.21126	0.3
244.08127	0.2
246.48938	0.2
261.22150	0.9
267.15912	4.4
268.93884	0.1
298.11572	0.3
300.18518	0.2
328.18085	0.2
335.25821	4.8
346.18716	0.8
364.20071	0.2
402.21661	0.2
420.22626	0.5
438.23682	0.3
527.37268	1.7
545.38397	1.1
680.43768	5.0
681.43469	0.2
698.44891	16.0
699.45447	0.9
730.65723	0.2
740.46240	0.3
824.49115	0.2
842.49103	5.6
843.49536	0.5
860.50214	14.9
861.50909	0.8
979.75861	0.2
1004.54474	3.1
1005.53894	0.2
1022.55798	5.4
1023.55737	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1022.5554
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04993	0.1
71.50787	0.1
72.08168	0.1
73.02920	0.4
79.05498	2.1
81.03420	4.1
81.07061	2.4
83.04982	0.2
83.08625	0.9
85.02904	1.4
85.06564	0.1
86.09696	0.1
91.03950	0.9
91.05486	1.9
92.02489	0.3
93.06480	0.1
93.07048	2.1
94.04036	0.2
95.04971	1.6
95.08616	1.9
97.02895	1.4
97.06529	0.3
97.10181	0.1
99.04475	0.1
101.02364	0.1
105.07039	1.3
107.04936	0.3
107.08607	1.1
109.02917	0.1
109.05140	0.2
109.06527	0.2
109.10156	0.8
109.36211	0.1
111.04459	0.1
111.08073	0.4
115.05508	0.2
117.07057	0.4
119.02754	0.1
119.03558	1.6
119.08585	1.2
121.06483	0.2
121.10155	0.9
123.08061	0.1
123.11685	0.3
127.03926	0.3
127.79989	0.1
129.06995	0.5
131.08577	0.9
133.06512	0.1
133.10133	0.6
135.11694	0.6
136.06194	100.0
137.04594	1.6
137.06670	0.5
143.08478	0.1
145.05054	0.2
145.10156	0.4
147.08125	0.2
147.11661	0.6
149.09641	0.3
149.13286	0.3
157.10103	0.5
159.07565	0.1
159.11710	0.3
161.13284	0.2
163.06116	0.1
163.11160	0.1
163.14867	0.2
165.12779	0.1
171.11571	0.1
173.13275	0.2
175.11205	0.5
178.07224	0.4
187.14851	0.2
187.72675	0.1
193.12245	1.3
194.93932	0.1
195.16174	0.1
235.13365	0.1
243.21080	0.3
249.14857	0.1
261.22162	0.8
267.15933	4.0
298.11499	0.6
309.17389	0.1
313.27731	0.1
317.24826	0.2
335.25824	3.8
435.32919	0.1
453.33792	0.2
507.71191	0.1
527.37402	2.0
545.38428	1.6
546.38745	0.1
569.38171	0.1
633.56659	0.1
648.13922	0.1
656.00970	0.1
680.43872	1.1
690.21320	0.1
698.44891	2.8
699.45331	0.1
733.13611	0.1
842.49194	2.0
843.49750	0.1
860.50140	2.5
861.50311	0.2
1004.54077	1.1
1005.54291	0.1
1022.55170	1.1
1023.53558	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	1020.7778
Annotation	Unknow
Peak:m/z	Relative Intensity
70.68924	10.4
70.69257	9.8
87.04479	7.4
99.08079	6.5
100.87411	6.0
101.09650	15.5
104.63205	5.3
111.21722	5.0
115.07594	12.3
115.11216	77.0
117.09142	41.6
159.13866	7.0
173.15375	100.0
175.13330	11.7
231.19640	9.9
463.47681	5.5
466.66187	5.4
585.04871	5.6
903.18341	6.6
931.23615	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	1020.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04980	1.7
72.08150	1.0
73.02930	2.0
74.06072	0.5
77.03902	0.7
79.05497	32.1
79.26291	0.4
80.05019	6.4
80.05805	0.7
81.03420	16.7
81.07059	25.1
82.06578	1.1
83.04983	2.7
83.08602	0.8
84.04507	1.7
84.08141	0.9
85.02907	16.5
86.09704	1.3
87.00832	3.9
87.04466	0.4
91.03954	0.6
91.04903	0.8
91.05481	13.4
93.07047	22.0
94.07360	0.5
95.04985	6.2
95.08611	15.8
96.04462	0.5
96.08163	0.9
97.02895	10.4
97.06528	3.6
97.10181	0.5
98.06060	27.9
99.04457	5.0
100.07594	1.1
101.02390	0.5
103.05441	0.9
105.01853	1.3
105.04531	1.9
105.07036	17.5
106.06593	0.8
107.04964	6.2
107.08598	23.3
108.04477	1.1
108.08957	0.5
109.02883	17.6
109.06525	0.9
109.10162	12.4
111.04452	0.9
112.08726	0.9
115.03886	0.6
115.05421	0.5
116.07093	2.1
117.07017	1.6
119.08589	15.4
120.08177	0.8
121.10150	9.5
122.06059	0.5
123.04424	1.0
123.11706	2.9
124.07597	7.2
125.05998	44.9
126.05487	0.6
126.09163	1.1
127.02969	0.9
127.03923	17.3
129.01817	2.2
129.05475	0.4
129.10242	0.6
130.07852	0.5
131.08562	2.6
133.10141	6.2
135.11705	6.1
138.09105	0.5
139.03928	0.7
140.07076	1.7
141.01845	3.5
142.08641	100.0
143.07040	1.2
143.08858	0.7
145.04982	3.8
145.10118	4.5
147.02898	1.1
147.04362	0.4
147.11700	7.4
149.13271	3.7
154.08615	0.4
157.10156	0.5
158.08199	0.5
159.02863	2.5
159.11725	5.6
160.09703	34.4
161.13242	4.4
162.09135	0.6
163.14828	2.5
166.08691	0.6
173.13254	2.2
175.14775	2.2
177.16399	2.5
184.09689	2.2
187.14835	1.3
189.16415	1.5
199.14883	0.4
201.16461	1.9
202.10793	1.2
203.17966	1.7
204.10196	0.5
206.08174	0.7
213.03914	3.5
215.17961	3.2
217.05061	0.5
229.19518	0.7
231.05049	3.1
232.09660	0.8
250.10829	0.5
271.24176	4.0
273.06091	0.7
285.06119	0.6
287.05542	2.7
303.07098	0.8
304.13873	0.9
322.14902	2.4
338.56091	0.5
339.07132	0.9
357.08188	1.9
375.09158	1.8
390.14078	1.2
490.15399	1.2
498.16052	1.8
516.17371	2.7
534.18176	11.2
552.19263	31.1
553.19366	1.1
570.20313	32.1
571.20612	1.4
577.26782	0.5
714.24670	1.1
732.25183	0.8
772.37531	2.6
822.42761	5.5
840.43713	43.1
841.44110	2.3
858.44891	4.0
869.16101	0.8
869.66858	0.7
984.48358	0.6
1002.48474	1.7
1020.50287	9.9
1021.48663	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92460	1.6
57.84006	1.7
59.99953	2.4
71.08032	2.8
82.99849	10.2
83.01489	11.8
88.60201	2.0
101.00891	59.9
101.02555	20.2
104.59426	2.0
119.01930	100.0
119.03647	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	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.3
55.05495	2.1
56.05027	3.3
56.96556	5.1
67.80999	1.5
68.02686	2.3
68.99791	6.1
70.90380	3.0
73.02917	4.8
82.01453	5.8
82.99834	8.7
83.01491	9.2
84.01193	1.6
84.04522	4.3
84.08143	3.7
85.02906	3.9
89.00953	1.4
100.02483	6.1
101.00891	58.6
101.02571	13.4
101.07990	2.6
102.02201	3.3
102.59308	1.2
119.01930	100.0
119.03699	4.9
END